Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
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=2.85487599670887
cohesive_energy=3.874281369635567
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.141421623913241 eV

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

Energy: 0.013593668078155886
Energy: 0.014065553938726447
Energy: 0.013840923196003734
Energy: 1.5567968134953758
Energy: 0.013840923197636683
Energy: 0.014065553938252364
Energy: 0.013593668078155886
Energy: 0.014065553938963488
Energy: 0.013840923197636683
Energy: 1.5567968134953758
Energy: 0.6813327424018991
Energy: 0.015581234770630621
Energy: 0.01591509999599046
Energy: 0.670901819070708
Energy: 0.01591509999646454
Energy: 0.01558123477155245
Energy: 0.6813327424018991
Energy: 0.015581234770156542
Energy: 0.01591509999599046
Energy: 0.6709018190702601
Energy: 0.013593668078392927
Energy: 0.014065553938041661
Energy: 0.013840923196240775
Energy: 1.556796813495613
Energy: 0.013840923196714856
Energy: 0.014065553938252364
Energy: 0.013593668077681803
Energy: 0.014065553938489406
Energy: 0.013840923196925559
Energy: 1.5567968134958234
Energy: 0.6813327424021097
Energy: 0.015581234770841326
Energy: 0.01591509999575342
Energy: 0.6709018190704973
Energy: 0.01591509999599046
Energy: 0.0155812347699195
Energy: 0.6813327424018991
Energy: 0.0155812347699195
Energy: 0.015915099996675244
Energy: 0.6709018190702601
Energy: 0.013593668078155886
Energy: 0.01406555393756758
Energy: 0.013840923195555988
Energy: 1.5567968134960606
Energy: 0.013840923197399642
Energy: 0.014065553938252364
Energy: 0.013593668078392927
Energy: 0.014065553938252364
Energy: 0.013840923197399642
Energy: 1.556796813495613
Energy: 0.6813327424021097
Energy: 0.0155812347699195
Energy: 0.015915099996227502
Energy: 0.6709018190704973
Energy: 0.015915099996675244
Energy: 0.015581234770841326
Energy: 0.6813327424018991
Energy: 0.015581234770630621
Energy: 0.01591509999646454
Energy: 0.6709018190700231
Energy: 0.013593668078392927
Energy: 0.014065553937804622
Energy: 0.013840923196240775
Energy: 1.556796813495613
Energy: 0.013840923196925559
Energy: 0.014065553938252364
Energy: 0.013593668077918845
Energy: 0.014065553938041661
Energy: 0.013840923197399642
Energy: 1.556796813495613

minimum gb energy = 0.013593668077681803 eV
minimum distance =  2.39144060147601 Angstroms
sigma value = 3


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

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Energy: 1.3861409110109966
Energy: 1.4390864275430588
Energy: 1.4646392232538332
Energy: 1.4439831883873613
Energy: 1.3794728174053432
Energy: 1.4780412005740196
Energy: 1.386140911009861
Energy: 1.4390864275458974
Energy: 1.4646392232538332
Energy: 1.384492013707787
Energy: 1.3181069551685285
Energy: 1.414174020968717
Energy: 1.4895502973885983
Energy: 1.3323998452003885
Energy: 1.2950650904306842
Energy: 1.3844920137106256
Energy: 1.3181069551685285
Energy: 1.4141740209573626
Energy: 1.4895502973840564
Energy: 1.3571303872120595
Energy: 1.304999296850857
Energy: 1.3238036467890753
Energy: 1.3235072395058642
Energy: 1.4296119433427146
Energy: 1.2732837987245924
Energy: 1.3571303872171692
Energy: 1.3049992968542634
Energy: 1.3238036467907786
Energy: 1.3235072395035932
Energy: 1.4218569324566872
Energy: 1.2933170612351368
Energy: 1.3051400157917044
Energy: 1.3170989476283603
Energy: 1.2751438436878544
Energy: 1.3256679471019654
Energy: 1.4218569324583903
Energy: 1.2933170612351368
Energy: 1.3051400157934077
Energy: 1.3170989476277926
Energy: 1.301122643132884
Energy: 1.3009420028913665
Energy: 1.3033231340024278
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Energy: 1.2768118649248492
Energy: 1.2819285579439579
Energy: 1.3011226431323162
Energy: 1.3009420028907988
Energy: 1.3033231340018598
Energy: 1.2909330058308877
Energy: 1.4997255463395929
Energy: 1.319786257449216
Energy: 1.3008214325316139
Energy: 1.2815797807344202
Energy: 1.3196663580563734
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Energy: 1.4997255463390253
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Energy: 1.292381826956217
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Energy: 1.298616180774588
Energy: 1.290234634734377
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Energy: 1.2773345125289528
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Energy: 1.2986161807700463
Energy: 1.387052028299904
Energy: 1.435647771123279
Energy: 1.2792449314515928
Energy: 1.2971349792671572
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Energy: 1.3870520283072842
Energy: 1.4356477711210078
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Energy: 1.297134979267725
Energy: 1.3547877637142594
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Energy: 1.3392572475233326
Energy: 1.4397464119528962
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Energy: 1.4183968193771148
Energy: 1.3392572475545574
Energy: 1.4397464119540317
Energy: 1.3798073861262932
Energy: 1.393349612659431
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Energy: 1.494203409523198
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Energy: 1.379807385963975
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Energy: 1.3329914451995057
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Energy: 1.377394625916182
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Energy: 1.3457942732288684
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Energy: 1.2949981139255446
Energy: 1.2481460245105198
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Energy: 1.3495039868544831
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Energy: 1.3651991681854
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Energy: 1.2817555823463846
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Energy: 1.291271496121319
Energy: 1.3495039868561864
Energy: 1.302286716354108
Energy: 1.2817555823469522
Energy: 1.3208997241683926
Energy: 1.313231914653265
Energy: 1.2482934447003577
Energy: 1.2962931263290807
Energy: 1.3143885286926686
Energy: 1.3873712011574524
Energy: 1.3208997241712312
Energy: 1.313231914653833
Energy: 1.2482934446992222
Energy: 1.2962931263279451
Energy: 1.298117789368285
Energy: 1.3445563334714488
Energy: 1.3317314824525612
Energy: 1.3772931156057249
Energy: 1.3723197913335856
Energy: 1.301580276081437
Energy: 1.298117789370556
Energy: 1.3445563334731518
Energy: 1.331731482451994
Energy: 1.3772931156062926
Energy: 1.491750416794334
Energy: 1.332339945559469
Energy: 1.3993681513520617
Energy: 1.3847861095006917
Energy: 1.4384429667323513
Energy: 1.460825509761482
Energy: 1.491750416796037
Energy: 1.3323399456343572
Energy: 1.3993681513571714
Energy: 1.3847861094967178
Energy: 1.4435580954969358
Energy: 1.3420790823739532
Energy: 1.4187319424436617
Energy: 1.3548478672711766
Energy: 1.4289400382325372
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Energy: 1.4187319424499067
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Energy: 1.2970427367089141
Energy: 1.2996284885875893
Energy: 1.4476784602138948
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Energy: 1.378130158937606
Energy: 1.298514020349242
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Energy: 1.299628488581344
Energy: 1.4476784602127593
Energy: 1.3786764129190137
Energy: 1.297148279377551
Energy: 1.3962963773674353
Energy: 1.3090405138902497
Energy: 1.2916154331866099
Energy: 1.4117181754969579
Energy: 1.2900309716547762
Energy: 1.2971482793724416
Energy: 1.3962963773702741
Energy: 1.3090405138908174
Energy: 1.2916154331854743
Energy: 1.2608436511175094
Energy: 1.3006473483192316
Energy: 1.319561504671407
Energy: 1.4997255463407284
Energy: 1.3091557484115017
Energy: 1.3202272838456668
Energy: 1.260843651120348
Energy: 1.3006473483186638
Energy: 1.3195615046668654
Energy: 1.4997255463401606
Energy: 1.2917363114152722
Energy: 1.3034739375715256
Energy: 1.3024460996141152
Energy: 1.3009317470500128
Energy: 1.2819285574417265
Energy: 1.2765405872123492
Energy: 1.2917363114141371
Energy: 1.3034739375686868
Energy: 1.3024460996169542
Energy: 1.3009317470494453
Energy: 1.316573486918414
Energy: 1.279506992824092
Energy: 1.2910782167826294
Energy: 1.4217176685372874
Energy: 1.3256668014877082
Energy: 1.2752731314371852
Energy: 1.3165734869099497
Energy: 1.2795069928161442
Energy: 1.2910782167831971
Energy: 1.4217176685367199
Energy: 1.3235072395030256
Energy: 1.2944719532240927
Energy: 1.3053869746119193
Energy: 1.3575139864344297
Energy: 1.2736370169599478
Energy: 1.4308535726420286
Energy: 1.3235072395041612
Energy: 1.2944719532229572
Energy: 1.305386974646499
Energy: 1.357513986431591
Energy: 1.4622064948667552
Energy: 1.421100306201616
Energy: 1.3242679558562127
Energy: 1.3850371219373414
Energy: 1.2948427641104485
Energy: 1.3305224277438974
Energy: 1.462206494865052
Energy: 1.4211003062050225
Energy: 1.324267955860187
Energy: 1.385037121944154
Energy: 1.334592742794505
Energy: 1.4439831883879293
Energy: 1.3794728236158047
Energy: 1.4780412005660712
Energy: 1.3861409110132676
Energy: 1.4390864275458974
Energy: 1.3345927430175182
Energy: 1.4439831883828196
Energy: 1.379472826407212
Energy: 1.478041200562665
Energy: 1.4895502973817858
Energy: 1.3323998451981174
Energy: 1.295065090438632
Energy: 1.3844920137134644
Energy: 1.3181069551594449
Energy: 1.4141740209636073
Energy: 1.489550297379515
Energy: 1.3323998451981174
Energy: 1.295065090438632
Energy: 1.3844920137151675
Energy: 1.3235072395047287
Energy: 1.4296119433495273
Energy: 1.2732837987370824
Energy: 1.357130387213195
Energy: 1.3049992968497217
Energy: 1.3238036467919139
Energy: 1.3235072395047287
Energy: 1.4296119433506627
Energy: 1.2732837987319727
Energy: 1.3571303872103564
Energy: 1.3170989476277926
Energy: 1.2751438436827447
Energy: 1.3256679470957202
Energy: 1.4218569324578227
Energy: 1.2933170612305949
Energy: 1.3051400157939754
Energy: 1.3170989476277926
Energy: 1.2751438436838802
Energy: 1.3256679470979913
Energy: 1.4218569324606611

minimum gb energy = 1.2481460245105198 eV
minimum distance =  2.2158442181963 Angstroms
sigma value = 75


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

Energy: 1.614038404465319
Energy: 1.5064547694211559
Energy: 1.468896092579417
Energy: 1.5436048304133012
Energy: 1.4516776081323144
Energy: 1.556286237453723
Energy: 1.614038404461164
Energy: 1.506454769418663
Energy: 1.4688960925583632
Energy: 1.5436048304116392
Energy: 1.4133679979817322
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Energy: 1.4385084236595242
Energy: 1.5310860057562556
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Energy: 1.4077315480436408
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Energy: 1.347487892065614
Energy: 1.360647041157729
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Energy: 1.3639310292297624
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Energy: 1.4154102243768822
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Energy: 1.360647041161607
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Energy: 1.363931029223391
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Energy: 1.3369618343640544
Energy: 1.3676866282055458
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Energy: 1.3368455152805472
Energy: 1.4283675565673108
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Energy: 1.3278077191563418
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Energy: 1.487796832972715
Energy: 1.4462308711598493
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Energy: 1.336651993050423
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Energy: 1.499321607263484
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Energy: 1.4459715367655033
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Energy: 1.3371617426108795
Energy: 1.416520072487441
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Energy: 1.4081785097589874
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Energy: 1.337161742614758
Energy: 1.41652007248661
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Energy: 1.5213931586721638
Energy: 1.4840722730057256
Energy: 1.4029716699635937
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Energy: 1.521393158674103
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Energy: 1.437999096160603
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Energy: 1.4600273108230497
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Energy: 1.412204130640412
Energy: 1.455951495846611
Energy: 1.494097455606331
Energy: 1.5724702702498987
Energy: 1.4600273108269277
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minimum gb energy = 1.3271069956831338 eV
minimum distance =  2.19122502797579 Angstroms
sigma value = 105


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

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Energy: 1.321698877932331
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Energy: 1.3453571684285068
Energy: 1.3328152567798293
Energy: 1.3329170075543337
Energy: 1.4917575719510396
Energy: 1.3313226848519486
Energy: 1.5818403452531804
Energy: 1.396531201076351
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Energy: 1.3724770448598844
Energy: 1.431787407168686
Energy: 1.371064710837964
Energy: 1.5818403452531804
Energy: 1.3965312010791637
Energy: 1.3326505313892065
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Energy: 1.445476628786833
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Energy: 1.5500606281930729
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Energy: 1.3973144449830315
Energy: 1.4416030872378944
Energy: 1.4454766287871457
Energy: 1.3988988874004915
Energy: 1.5500606281911975
Energy: 1.4279280049647554
Energy: 1.423787592824479
Energy: 1.370973399549483
Energy: 1.422091675801863
Energy: 1.3740108343640816
Energy: 1.4414290705253001
Energy: 1.4043357128591574
Energy: 1.4237875928241666
Energy: 1.3709733995497957
Energy: 1.4220916757996753
Energy: 1.3740108343672068
Energy: 1.3416958411195221
Energy: 1.371513946292529
Energy: 1.4206219402316753
Energy: 1.3317751876958546
Energy: 1.5057796587718455
Energy: 1.3346021890953321
Energy: 1.341695841118897
Energy: 1.3715139462947166
Energy: 1.4206219402285503
Energy: 1.3317751876971047
Energy: 1.3339193146244246
Energy: 1.390787440941976
Energy: 1.3732693531312186
Energy: 1.3863584662918715
Energy: 1.3452102440717297
Energy: 1.3346235280526608
Energy: 1.3339193146272375
Energy: 1.3907874409385381
Energy: 1.3732693531312186
Energy: 1.3863584662931219
Energy: 1.4493128147702075
Energy: 1.39210423856369
Energy: 1.3743001790315186
Energy: 1.4126016998465465
Energy: 1.394536768826648
Energy: 1.5674316081091615
Energy: 1.4493128147745826
Energy: 1.39210423856744
Energy: 1.3743001790315186
Energy: 1.4126016998493593

minimum gb energy = 1.321698877932331 eV
minimum distance =  2.22838743028112 Angstroms
sigma value = 165


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

Energy: 1.3815294805192497
Energy: 1.6137943300315347
Energy: 1.3351452839955988
Energy: 1.591242977515814
Energy: 1.3335959267006041
Energy: 1.6155242929096467
Energy: 1.3815294805192497
Energy: 1.6137943300336803
Energy: 1.3351452839977447
Energy: 1.591242977514741
Energy: 1.3372672924966633
Energy: 1.3394202670370894
Energy: 1.3613076004609148
Energy: 1.3862382600623016
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Energy: 1.3545933447474348
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Energy: 1.3228260715823505
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Energy: 1.3614945673892727
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Energy: 1.3360183677982111
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Energy: 1.3756057549174936
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Energy: 1.2733491445681226
Energy: 1.3756057549196394
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Energy: 1.3583971253290075
Energy: 1.4643799029503282
Energy: 1.272327974116262
Energy: 1.4092754587478478
Energy: 1.3544590534925292
Energy: 1.3124645698155508
Energy: 1.2542842448479137
Energy: 1.2729361739357234
Energy: 1.272327974117335
Energy: 1.4092754587467748
Energy: 1.3544590534936018
Energy: 1.3124645698176967
Energy: 1.274067852497689
Energy: 1.368957374329649
Energy: 1.464820363989122
Energy: 1.276949109809368
Energy: 1.4045641297644937
Energy: 1.352501579919953
Energy: 1.2740678524998348
Energy: 1.368957374329649
Energy: 1.464820363989122
Energy: 1.2769491098082948
Energy: 1.385880658219491
Energy: 1.3523450678939162
Energy: 1.3390257598038058
Energy: 1.3374515123202408
Energy: 1.2735559792167657
Energy: 1.254108948597261
Energy: 1.3858806582387786
Energy: 1.3523450678949889
Energy: 1.3390257598059516
Energy: 1.337451512321314
Energy: 1.4173378038343893
Energy: 1.3335959266973854
Energy: 1.6155242929096467
Energy: 1.3815294805171037
Energy: 1.6137943300336803
Energy: 1.3351452839977447
Energy: 1.4173378039041036
Energy: 1.3335959266984583
Energy: 1.6155242929096467
Energy: 1.3815294805171037

minimum gb energy = 1.254108948597261 eV
minimum distance =  2.2167363931455 Angstroms
sigma value = 41


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

Energy: 1.3917979329805632
Energy: 1.2568679926097068
Energy: 1.173719712665327
Energy: 1.6446667696414756
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Energy: 1.256421501164561
Energy: 1.3917979329830608
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Energy: 1.3147761589434135
Energy: 1.1742399764288272
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Energy: 1.2324327845716376
Energy: 1.2414437287319529
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Energy: 1.1463016334467895
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Energy: 1.2464282975368057
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Energy: 1.3448239550684893
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Energy: 1.3448239550655754
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Energy: 1.2649327723858463
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Energy: 1.2528850846586816
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Energy: 1.1462787247569062
Energy: 1.3257471440554405
Energy: 1.2416828244985314
Energy: 1.2528850846582653
Energy: 1.3234559012147402
Energy: 1.1743848399284136
Energy: 1.3315058441307708
Energy: 1.2289893380785228
Energy: 1.146025137025373
Energy: 1.1492372000124567
Energy: 1.2948975513652745
Energy: 1.1743848399234185
Energy: 1.3315058441261918
Energy: 1.2289893380756092
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Energy: 1.1745964736472057
Energy: 1.3712815774943121
Energy: 1.230520718100535
Energy: 1.2458374180774185
Energy: 1.1740798669525174
Energy: 1.3756060423674015
Energy: 1.174596473648038
Energy: 1.3712815774901495
Energy: 1.2305207329471353
Energy: 1.2458374180736718
Energy: 1.1491618546990876
Energy: 1.2786653126066572
Energy: 1.2286234773887545
Energy: 1.2642189386038736
Energy: 1.175927660910487
Energy: 1.2743041182110808
Energy: 1.1491618547040832
Energy: 1.2786653126099876
Energy: 1.2286234773829268
Energy: 1.2642189386084526
Energy: 1.1461951655412101
Energy: 1.3299367671721036
Energy: 1.2496857705525868
Energy: 1.2324513553878182
Energy: 1.3275301454149224
Energy: 1.1465619322637177
Energy: 1.1461951655449567
Energy: 1.3299367671716875
Energy: 1.2496857705538356
Energy: 1.2324513553811576
Energy: 1.3006832406719129
Energy: 1.1740009215462655
Energy: 1.3275681925390521
Energy: 1.200161507460509
Energy: 1.1458239175916756
Energy: 1.1490780147878992
Energy: 1.3006832406752429
Energy: 1.174000921551677
Energy: 1.3275681925469238
Energy: 1.2001615074567624
Energy: 1.3280399871352087
Energy: 1.1749846947407314
Energy: 1.3684144694998857
Energy: 1.235721527798658
Energy: 1.2461439871618913
Energy: 1.2728771714268177
Energy: 1.3280399871356248
Energy: 1.1749846947436455
Energy: 1.3684144694969718
Energy: 1.2357215287660863
Energy: 1.3060709512746729
Energy: 1.150114357168363
Energy: 1.2786617498173158
Energy: 1.2280619589496842
Energy: 1.2646136010334614
Energy: 1.1805539751414256
Energy: 1.3060709512725917
Energy: 1.1501143571729422
Energy: 1.278661749816067
Energy: 1.2280619589471864

minimum gb energy = 1.145601939933178 eV
minimum distance =  2.25718432983794 Angstroms
sigma value = 185


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

Energy: 1.3851447144457436
Energy: 1.152632149382794
Energy: 1.4103027417069185
Energy: 1.609880313466065
Energy: 1.4108468267557812
Energy: 1.153007857811734
Energy: 1.3851447144457436
Energy: 1.152632149389712
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Energy: 1.130007468470045
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Energy: 1.3851447144472258
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Energy: 1.154326974536507
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Energy: 1.4385240755176156
Energy: 1.1508852926863276
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Energy: 1.1297899353687386
Energy: 1.4878446981893922
Energy: 1.4394287492954592
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Energy: 1.417932880766192
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Energy: 1.4394287492959534
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Energy: 1.3184721182801744
Energy: 1.3736016590266553
Energy: 1.296866871571077
Energy: 1.1508078944672362
Energy: 1.1515469309993274
Energy: 1.417964938873275
Energy: 1.1299454863053535
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Energy: 1.4399011500404535
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Energy: 1.4179649388717925
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Energy: 1.4430262551088857
Energy: 1.4399011500394654
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Energy: 1.151276605361738
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Energy: 1.4097947583899526
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Energy: 1.1526483357268438
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Energy: 1.4878446981879099
Energy: 1.152648335727832
Energy: 1.1512778198777927
Energy: 1.1303569303309882
Energy: 1.4179328807617444
Energy: 1.129884857536009
Energy: 1.1528287754984823
Energy: 1.4394287492974358
Energy: 1.4421422573796812
Energy: 1.381132198910444
Energy: 1.417932880762239
Energy: 1.129884857536503
Energy: 1.1528287754989766
Energy: 1.4394287492989184
Energy: 1.15472329849061
Energy: 1.3191619292157304
Energy: 1.2481895391100126
Energy: 1.151701485477473
Energy: 1.150853707002737
Energy: 1.2989117961543404
Energy: 1.1547232984911042
Energy: 1.3191619292369785
Energy: 1.248189539113966
Energy: 1.1517014854764844
Energy: 1.1515469310037745
Energy: 1.1910048846344246
Energy: 1.3184721182786923
Energy: 1.2876043796100665
Energy: 1.2968668715597116
Energy: 1.150807894466248
Energy: 1.1515469310042685
Energy: 1.1910048846433192
Energy: 1.3184721182999402
Energy: 1.2876043798950743
Energy: 1.4399011500394654
Energy: 1.1529982990292726
Energy: 1.1298860981134455
Energy: 1.4179649388703102
Energy: 1.129945487196382
Energy: 1.4430262551123447
Energy: 1.4399011500394654
Energy: 1.1529982990292726
Energy: 1.1298860981139396
Energy: 1.417964938866357
Energy: 1.1303240116673627
Energy: 1.1512766053632204
Energy: 1.1525554423283817
Energy: 1.488026197893523
Energy: 1.1308990493269164
Energy: 1.130591806666596
Energy: 1.1303240116663744
Energy: 1.1512766053637145
Energy: 1.1525554423303581
Energy: 1.4880261978979699
Energy: 1.4097947583879762
Energy: 1.4727463580537716
Energy: 1.1508998671592066
Energy: 1.4383765710449496
Energy: 1.1510820783682632
Energy: 1.1526922419992418
Energy: 1.4097947583879762
Energy: 1.4727463580547597
Energy: 1.1508998671597006
Energy: 1.4383765710380314
Energy: 1.1512245504692762
Energy: 1.1300190174143543
Energy: 1.1537959431119684
Energy: 1.4363346330114988
Energy: 1.2481220237243902
Energy: 1.1507721846888954
Energy: 1.151224550468782
Energy: 1.1300190174138602
Energy: 1.1537959431094977
Energy: 1.4363346330105102

minimum gb energy = 1.1297899353588556 eV
minimum distance =  2.18207380499198 Angstroms
sigma value = 33


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

Energy: 1.4643885538913064
Energy: 1.4716592275290439
Energy: 1.4177928293220128
Energy: 1.7021504017571016
Energy: 1.4174220179502308
Energy: 1.472395244627538
Energy: 1.4643885538913064
Energy: 1.4716592275309426
Energy: 1.4177928293228264
Energy: 1.702150401755474
Energy: 1.5084177369906202
Energy: 1.4284487430645068
Energy: 1.2271564396386334
Energy: 1.3325910930683347
Energy: 1.2616916409494834
Energy: 1.267263696369023
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Energy: 1.4284487430639643
Energy: 1.2271564396356496
Energy: 1.3325910930710474
Energy: 1.3957712724867066
Energy: 1.2426607071752627
Energy: 1.4211694980751957
Energy: 1.5328146839885188
Energy: 1.252966584521694
Energy: 1.2706619427060164
Energy: 1.3957712724848077
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Energy: 1.4211694980708554
Energy: 1.5328146839898753
Energy: 1.3170111065037586
Energy: 1.240703505243507
Energy: 1.3371748230448892
Energy: 1.4412217043971118
Energy: 1.4526381477133845
Energy: 1.4708972803781415
Energy: 1.3170111065005035
Energy: 1.2407035052451347
Energy: 1.337174823047602
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Energy: 1.3348291870768676
Energy: 1.4710128012380097
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Energy: 1.337291822870733
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Energy: 1.3348291870879647
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Energy: 1.3069300605002772
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Energy: 1.37819518473509
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Energy: 1.3496071123525355
Energy: 1.2407499994472893
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Energy: 1.2407499994516293
Energy: 1.2533389507002932
Energy: 1.3617282746145736
Energy: 1.553700430597022
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Energy: 1.269909625055244
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Energy: 1.344405511379737
Energy: 1.2255712864193167
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Energy: 1.5093653693056182
Energy: 1.271895932427445
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Energy: 1.3582678686839997
Energy: 1.3197265041994972
Energy: 1.3366808304406734
Energy: 1.4173864927057451
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Energy: 1.5052989873379732
Energy: 1.3197265041948858
Energy: 1.3366808304417583
Energy: 1.4173864927049313
Energy: 1.4540496888177574
Energy: 1.2258935114689054
Energy: 1.287425665613252
Energy: 1.261656643440952
Energy: 1.270616642113233
Energy: 1.384901149756632
Energy: 1.4607875438948377
Energy: 1.2258935114810878
Energy: 1.287425665616507
Energy: 1.2616566434436647
Energy: 1.2706166421110874
Energy: 1.2536550595890124
Energy: 1.4681086300303676
Energy: 1.2528022900811906
Energy: 1.2718571950224054
Energy: 1.2755122544763917
Energy: 1.2404772801083
Energy: 1.2536550595871134
Energy: 1.4681086300287398
Energy: 1.2528022900779354
Energy: 1.2718571950245754
Energy: 1.337485665061908
Energy: 1.439980804209438
Energy: 1.4875224780139422
Energy: 1.3298558050138525
Energy: 1.3963065279679252
Energy: 1.2349442668535928
Energy: 1.3374856650627216
Energy: 1.4399808042083528
Energy: 1.4875224780237082
Energy: 1.3298558050135814
Energy: 1.244688071801332
Energy: 1.484308050554457
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Energy: 1.5451776660645864
Energy: 1.3384493884836568
Energy: 1.4390861495134577
Energy: 1.487774033312925
Energy: 1.2332047413824703

minimum gb energy = 1.2252535976204664 eV
minimum distance =  2.24636281272232 Angstroms
sigma value = 219


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

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Energy: 1.2342479458895623
Energy: 1.1981132568359483
Energy: 1.2222804289716358
Energy: 1.1973872583692422
Energy: 1.3762645224392913

minimum gb energy = 1.194933661096833 eV
minimum distance =  2.30882706174531 Angstroms
sigma value = 15


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

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minimum gb energy = 1.3375764781496335 eV
minimum distance =  2.21262702083036 Angstroms
sigma value = 293


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

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Energy: 1.3310023839150544
Energy: 1.4368662183388048
Energy: 1.4033626230824674
Energy: 1.3736592572755328
Energy: 1.5362402392442407
Energy: 1.4605830645385545
Energy: 1.3920295441209096
Energy: 1.6018034352232398
Energy: 1.391737829018556
Energy: 1.4607516553691224
Energy: 1.5362402392430243
Energy: 1.4605830645389604
Energy: 1.3920295441245227
Energy: 1.6018034352268893
Energy: 1.331162096594237
Energy: 1.5233510949592979
Energy: 1.3926543663947093
Energy: 1.3737356356266694
Energy: 1.4031731102894038
Energy: 1.4373083352264848
Energy: 1.3311620965913984
Energy: 1.5233510949601086
Energy: 1.3926543663930873
Energy: 1.3737356356274806
Energy: 1.4556473645776304
Energy: 1.4113375443682237
Energy: 1.4398965294463308
Energy: 1.3961002346309983
Energy: 1.3741994454628914
Energy: 1.3167134845922626
Energy: 1.4556473645784411
Energy: 1.411337544367007
Energy: 1.4398965294487638
Energy: 1.396100234633026
Energy: 1.4150394586237818
Energy: 1.4138190535352357
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Energy: 1.3988993012269713
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Energy: 1.4138190535344244
Energy: 1.5262624590342733
Energy: 1.4360716151249382
Energy: 1.356461338097274
Energy: 1.4952062173046738
Energy: 1.4317554270841206
Energy: 1.404639348780337
Energy: 1.5954457548978493
Energy: 1.3302558339247252
Energy: 1.3564613380968684
Energy: 1.49520621730589
Energy: 1.4317554270833097
Energy: 1.4046393487799314
Energy: 1.363438460577867
Energy: 1.3811473706776323
Energy: 1.371886481621006
Energy: 1.5401781041605551
Energy: 1.4035195416384085
Energy: 1.4319019158878363
Energy: 1.3634384605770933
Energy: 1.3811473706772266
Energy: 1.3718864815679197
Energy: 1.5401781041605551
Energy: 1.397166332025888
Energy: 1.384050030369131
Energy: 1.441341636496615
Energy: 1.481366829679171
Energy: 1.4240471405233173
Energy: 1.4968054100724817
Energy: 1.3971663320246714
Energy: 1.3840500303695364
Energy: 1.4413416364978313
Energy: 1.4813668296811986
Energy: 1.4062899776790072
Energy: 1.4187723945799018
Energy: 1.4187661609851387
Energy: 1.4061811926473653
Energy: 1.361360099010112
Energy: 1.3607788641412977
Energy: 1.4062899776798183
Energy: 1.4187723945790907
Energy: 1.4187661609859499
Energy: 1.4061811926473653
Energy: 1.4814468467293151
Energy: 1.441252063452767
Energy: 1.3838768220752924
Energy: 1.3971838037949815
Energy: 1.4965994495091062
Energy: 1.4240163707118356
Energy: 1.481446846833091
Energy: 1.4412520634523613
Energy: 1.3838768220724535
Energy: 1.3971838037957927
Energy: 1.5402104596658392
Energy: 1.3759470834909724
Energy: 1.3815343635106938
Energy: 1.3634814017508727
Energy: 1.4319568440032846
Energy: 1.403591176325686
Energy: 1.540210459666245
Energy: 1.3759470834889451
Energy: 1.3815343635123158
Energy: 1.3634814017508727
Energy: 1.4048060299529512
Energy: 1.4306544194139457
Energy: 1.4952062173038625
Energy: 1.3561790210325944
Energy: 1.330857422090478
Energy: 1.5954457549010934
Energy: 1.4048060299521399
Energy: 1.430654419414351
Energy: 1.495206217302646
Energy: 1.356179021031378
Energy: 1.455084751272535
Energy: 1.5261063752659427
Energy: 1.413781199831207
Energy: 1.4151017388456806
Energy: 1.4058967379524512
Energy: 1.3995219630605453
Energy: 1.455084751271724
Energy: 1.526106375266754
Energy: 1.4137811998352625
Energy: 1.4151017388424365

minimum gb energy = 1.3167134845890183 eV
minimum distance =  2.2103092902659 Angstroms
sigma value = 293


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

Energy: 1.1387743021106729
Energy: 1.403625133055058
Energy: 1.1693803640536977
Energy: 1.763357204790526
Energy: 1.1693903502015224
Energy: 1.4040328850895938
Energy: 1.13877430210994
Energy: 1.4036251330521263
Energy: 1.1693803640529647
Energy: 1.7633572047919919
Energy: 1.245616208735408
Energy: 1.8222022032707215
Energy: 1.1694490044850079
Energy: 1.564205972409453
Energy: 1.5868552795478
Energy: 1.17058893515788
Energy: 1.2456162087332092
Energy: 1.8222022032736533
Energy: 1.1694490044872068
Energy: 1.564205972407987
Energy: 1.2136900979111194
Energy: 1.1357537823525314
Energy: 1.528260385106547
Energy: 1.1355803883247213
Energy: 1.2910185700304582
Energy: 1.172158339135078
Energy: 1.2136900979089207
Energy: 1.1357537823525314
Energy: 1.5282603851050813
Energy: 1.1355803883225226
Energy: 1.5281544240923337
Energy: 1.1357351226988137
Energy: 1.213690090018013
Energy: 1.1721697152602066
Energy: 1.2911971347792972
Energy: 1.135641623433874
Energy: 1.5281544240923337
Energy: 1.1357351227010126
Energy: 1.2136900900136154
Energy: 1.1721697152609396
Energy: 1.1694304548072032
Energy: 1.7488232715682335
Energy: 1.2455975014381075
Energy: 1.17045535228305
Energy: 1.5868721515949211
Energy: 1.5902132383297471
Energy: 1.1694304548035384
Energy: 1.7488232715689664
Energy: 1.2455975014337102
Energy: 1.1704553522852488
Energy: 1.1693903501993232
Energy: 1.4040328852609998
Energy: 1.13877430210994
Energy: 1.4036251330513931
Energy: 1.1693803640500329
Energy: 1.7571784922005595
Energy: 1.169390350202988
Energy: 1.4040328851562573
Energy: 1.13877430210994
Energy: 1.4036251330609215
Energy: 1.586855279547067
Energy: 1.1705889351600787
Energy: 1.245616208736141
Energy: 1.8222022032721874
Energy: 1.1694490044864738
Energy: 1.5642059724138506
Energy: 1.586855279546334
Energy: 1.1705889351600787
Energy: 1.245616208735408
Energy: 1.8222022032721874
Energy: 1.291018570028259
Energy: 1.1721583391336121
Energy: 1.2136900979037901
Energy: 1.1357537823510657
Energy: 1.528260385106547
Energy: 1.1355803883254543
Energy: 1.2910185700289922
Energy: 1.1721583391343453
Energy: 1.2136900979081875
Energy: 1.1357537823525314
Energy: 1.2911971347792972
Energy: 1.13564162343534
Energy: 1.5281544240923337
Energy: 1.1357351226995467
Energy: 1.213690090016547
Energy: 1.1721697152602066
Energy: 1.2911971347799969
Energy: 1.1356416234331412
Energy: 1.5281544240930665
Energy: 1.1357351226995467
Energy: 1.5868721515941882
Energy: 1.5104642016632805
Energy: 1.1694304548050043
Energy: 1.6863968218271612
Energy: 1.2455975014373746
Energy: 1.17045535228305
Energy: 1.5868721515941882
Energy: 1.5104642016625474
Energy: 1.169430454808669
Energy: 1.686396821830093
Energy: 1.1693803640514988
Energy: 1.6002876307202352
Energy: 1.1693903501985905
Energy: 1.404032885300578
Energy: 1.13877430210994
Energy: 1.403625133057257
Energy: 1.1693803640536977
Energy: 1.6002876307209684
Energy: 1.1693903502007892
Energy: 1.404032885159922
Energy: 1.169449004484275
Energy: 1.564205972412385
Energy: 1.586855279547067
Energy: 1.1705889351608119
Energy: 1.2456162087310103
Energy: 1.8222022032714542
Energy: 1.1694490044857409
Energy: 1.5642059724131177
Energy: 1.586855279548533
Energy: 1.170588935159346
Energy: 1.5282603851080128
Energy: 1.1355803883254543
Energy: 1.291018570028259
Energy: 1.1721583391343453
Energy: 1.2136900979074547
Energy: 1.1357537823525314
Energy: 1.528260385106547
Energy: 1.1355803883247213
Energy: 1.291018570029725
Energy: 1.172158339135078
Energy: 1.2136900900121494
Energy: 1.1721697152602066
Energy: 1.2911971347792972
Energy: 1.1356416234346072
Energy: 1.5281544240923337
Energy: 1.1357351226980807
Energy: 1.213690090018746
Energy: 1.1721697152602066
Energy: 1.2911971347807296
Energy: 1.1356416234324083
Energy: 1.2455975014373746
Energy: 1.1704553522852488
Energy: 1.5868721515934552
Energy: 1.3954013102995084
Energy: 1.1694304548050043
Energy: 1.5001239382199343
Energy: 1.2455975014366416
Energy: 1.1704553522852488
Energy: 1.5868721515963868
Energy: 1.3954013103009744
Energy: 1.138774302109207
Energy: 1.4036251330579899
Energy: 1.1693803640529647
Energy: 1.4823400300551615
Energy: 1.1693903501993232
Energy: 1.4040328852785902
Energy: 1.13877430210994
Energy: 1.403625133056524
Energy: 1.1693803640536977
Energy: 1.4823400300551615
Energy: 1.2456162087346752
Energy: 1.8222022032714542
Energy: 1.1694490044850079
Energy: 1.564205972410919
Energy: 1.586855279546334
Energy: 1.1705889351630105
Energy: 1.245616208735408
Energy: 1.8222022032714542
Energy: 1.1694490044828092
Energy: 1.5642059724131177
Energy: 1.2136900979067216
Energy: 1.1357537823525314
Energy: 1.5282603851050813
Energy: 1.1355803883276532
Energy: 1.2910185700289922
Energy: 1.1721583391336121
Energy: 1.2136900979074547
Energy: 1.1357537823525314
Energy: 1.528260385105814
Energy: 1.1355803883247213
Energy: 1.5281544240930665
Energy: 1.1357351226995467
Energy: 1.213690090018013
Energy: 1.1721697152602066
Energy: 1.2911971347792972
Energy: 1.1356416234324083
Energy: 1.528154424091601
Energy: 1.1357351226973478
Energy: 1.2136900900216774
Energy: 1.1721697152602066
Energy: 1.1694304548064702
Energy: 1.500123938220667
Energy: 1.2455975014359086
Energy: 1.17045535228305
Energy: 1.5868721515949211
Energy: 1.3954013102995084
Energy: 1.1694304548042713
Energy: 1.5001239382199343
Energy: 1.2455975014373746
Energy: 1.1704553522808512
Energy: 1.1693903502007892
Energy: 1.4040328856207358
Energy: 1.13877430210994
Energy: 1.403625133052859
Energy: 1.1693803640529647
Energy: 1.4823400300544287
Energy: 1.1693903501985905
Energy: 1.4040328856830018
Energy: 1.13877430210994
Energy: 1.4036251330491947
Energy: 1.5868552795478
Energy: 1.170588935158613
Energy: 1.245616208736141
Energy: 1.8222022032714542
Energy: 1.169449004484275
Energy: 1.564205972412385
Energy: 1.5868552795456345
Energy: 1.1705889351600787
Energy: 1.2456162087332092
Energy: 1.8222022032721874

minimum gb energy = 1.1355803883225226 eV
minimum distance =  2.27031873145356 Angstroms
sigma value = 15


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

Energy: 1.6039545030898634
Energy: 1.3692533092896189
Energy: 1.4015706517865532
Energy: 1.7592369815565656
Energy: 1.3997277273230475
Energy: 1.369568408275304
Energy: 1.6039545030885347
Energy: 1.369253309287958
Energy: 1.401570651774925
Energy: 1.759236981562214
Energy: 1.4561557831281897
Energy: 1.448861549040762
Energy: 1.397353072896559
Energy: 1.3809471555986825
Energy: 1.374116548000917
Energy: 1.336808893820487
Energy: 1.4561557831335055
Energy: 1.4488615490397654
Energy: 1.397353072891908
Energy: 1.380947155603968
Energy: 1.445351073326062
Energy: 1.3666352573884997
Energy: 1.4563835057559316
Energy: 1.388181854452811
Energy: 1.387728510375787
Energy: 1.4358116562778105
Energy: 1.4453510733247332
Energy: 1.3666352573875027
Energy: 1.4563835057675596
Energy: 1.3881818544504851
Energy: 1.4667322470767241
Energy: 1.3531809442357776
Energy: 1.40943004973541
Energy: 1.3448032075521898
Energy: 1.409872609819104
Energy: 1.3263813818830208
Energy: 1.4667322470770563
Energy: 1.3531809442371063
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Energy: 1.3448032075438838
Energy: 1.40160900815804
Energy: 1.4718243200015388
Energy: 1.3311216892388893
Energy: 1.4064364339054805
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Energy: 1.3311216892352349
Energy: 1.4064364339054805
Energy: 1.389159025330495
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Energy: 1.425362104426872
Energy: 1.3719737878181015
Energy: 1.3503099048097242
Energy: 1.4899589402601179
Energy: 1.3891590253354786
Energy: 1.4492541375299994
Energy: 1.4253621044175997
Energy: 1.371973787818434
Energy: 1.4783326946038369
Energy: 1.3164311156845612
Energy: 1.329896947544884
Energy: 1.3911908680409517
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Energy: 1.4032585120614474
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Energy: 1.456353068677644
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Energy: 1.3909684646397966
Energy: 1.3800925199404497
Energy: 1.412635043322666
Energy: 1.3473715378127322
Energy: 1.492293853205626
Energy: 1.390727927858249
Energy: 1.3783596906210698
Energy: 1.3800925199361307
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Energy: 1.3893557897182838
Energy: 1.3404857799544867
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Energy: 1.38935578973257
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Energy: 1.4871003449514726
Energy: 1.3784182117604367
Energy: 1.4620224974623208
Energy: 1.469265644023891
Energy: 1.3349459539661397
Energy: 1.3817215369711278
Energy: 1.3365204537789872
Energy: 1.3784182117670811
Energy: 1.4620224974702944
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Energy: 1.3349459539614883
Energy: 1.4448796579526324
Energy: 1.3726731534861394
Energy: 1.5252505251681645
Energy: 1.455373638171803
Energy: 1.3687344111889008
Energy: 1.3287488256290683
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Energy: 1.336221176541251
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Energy: 1.3980500164365053
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Energy: 1.3867800241339991
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Energy: 1.4051559963557356
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Energy: 1.4512842799875894
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Energy: 1.4329255858765315
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Energy: 1.3611052220238107
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Energy: 1.4148952298210076
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Energy: 1.351450077630285
Energy: 1.3966022648485767
Energy: 1.3728681740730444
Energy: 1.4556003523323422
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Energy: 1.4381145243909126
Energy: 1.3514500776336071
Energy: 1.3966022648472476
Energy: 1.3728681740690576
Energy: 1.3129421146573546
Energy: 1.4290288996225313
Energy: 1.335553975246472
Energy: 1.357994409568151
Energy: 1.3871055125833096
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Energy: 1.3129421146520388
Energy: 1.429028899616551
Energy: 1.3355539752474685
Energy: 1.357994409562171
Energy: 1.5054932935019878
Energy: 1.371581672639594
Energy: 1.396026307869873
Energy: 1.5292590902863512
Energy: 1.3961421005444221
Energy: 1.4450654817756787
Energy: 1.5054932935039813
Energy: 1.371581672642252
Energy: 1.396026307875853
Energy: 1.5292590902823644
Energy: 1.3261254827126987
Energy: 1.4796359297370396
Energy: 1.3927087864051013
Energy: 1.3843372883330964
Energy: 1.4787366093561551
Energy: 1.4173799523237232
Energy: 1.3261254827087121
Energy: 1.4796359297367072
Energy: 1.3927087864097523
Energy: 1.3843372883320995
Energy: 1.3501893876647328
Energy: 1.3953649873459324
Energy: 1.5359261497537542
Energy: 1.391106228040037
Energy: 1.3676558373234908
Energy: 1.5163666918597232
Energy: 1.3501893876733708
Energy: 1.3953649873505836
Energy: 1.5359261497667114
Energy: 1.3911062280403692
Energy: 1.4824764462196471
Energy: 1.390882738517208
Energy: 1.3636047041344623
Energy: 1.3221857819983587
Energy: 1.4033966577607315
Energy: 1.410142575307964
Energy: 1.4824764462239663
Energy: 1.3908827385208626
Energy: 1.3636047041361234
Energy: 1.3221857819947038
Energy: 1.348826756363698
Energy: 1.438893610637935
Energy: 1.380640194874896
Energy: 1.3904270207227265
Energy: 1.3868856686782258
Energy: 1.4201031419873031
Energy: 1.3488267563709768
Energy: 1.4388936106452443
Energy: 1.3806401948665903
Energy: 1.3904270207217297
Energy: 1.3489850091208617
Energy: 1.4640224725039657
Energy: 1.3745914148972311
Energy: 1.3887474348543238
Energy: 1.341361179912465
Energy: 1.3655230719945282
Energy: 1.3489850091245164
Energy: 1.4640224725033013
Energy: 1.3745914149048724
Energy: 1.3887474348563171
Energy: 1.4724453916034241
Energy: 1.3291442008162029
Energy: 1.3912154983283034
Energy: 1.316206923864612
Energy: 1.371559320776691
Energy: 1.3954783956571932
Energy: 1.4724453917920741
Energy: 1.3291442008248409
Energy: 1.3912154983196652
Energy: 1.3162069238573029
Energy: 1.4461679547684374
Energy: 1.4883072976632299
Energy: 1.3664573410046283
Energy: 1.3446586813297348
Energy: 1.46285314782701
Energy: 1.3903117121134094
Energy: 1.446167954776079
Energy: 1.4883072976622331
Energy: 1.366457341009612
Energy: 1.3446586813307315
Energy: 1.3322751153010073
Energy: 1.4100815383082845
Energy: 1.4681636828732259
Energy: 1.398704271880417
Energy: 1.395011456007826
Energy: 1.478336869776453
Energy: 1.3322751152907382
Energy: 1.410081538308949
Energy: 1.4681636828745546
Energy: 1.3987042718830751
Energy: 1.4806100188320035
Energy: 1.4037585524621614
Energy: 1.4023641779180136
Energy: 1.5593724924186079
Energy: 1.3927920068160606
Energy: 1.3687596958476227
Energy: 1.4806100188290132
Energy: 1.403758552455517
Energy: 1.4023641779266518
Energy: 1.5593724924232593
Energy: 1.4095334587094044
Energy: 1.4722482313600656
Energy: 1.3676738600188003
Energy: 1.3573823386962998
Energy: 1.335186529208013
Energy: 1.3961620545652236
Energy: 1.4095334587074109
Energy: 1.472248231352424
Energy: 1.3676738600181357
Energy: 1.3573823386989579
Energy: 1.3799427243764177
Energy: 1.3556713365154625
Energy: 1.4895700580542333
Energy: 1.3892287780928994
Energy: 1.3931976923596294
Energy: 1.3402534874355636
Energy: 1.37994272437376
Energy: 1.3556713365167916
Energy: 1.4895700580522397
Energy: 1.3892287780945607
Energy: 1.371416951102933
Energy: 1.3404026736073065
Energy: 1.5236524776553653
Energy: 1.3736462836508778
Energy: 1.386176464433748
Energy: 1.3393797319774168
Energy: 1.3714169511016039
Energy: 1.340402673599363
Energy: 1.523652477658023
Energy: 1.3736462836458945
Energy: 1.3746797341631636
Energy: 1.4754028846212817
Energy: 1.3168630240093642
Energy: 1.3608393472359601
Energy: 1.328362480526561
Energy: 1.3910978496115
Energy: 1.3746797341565191
Energy: 1.4754028846126734
Energy: 1.316863024006042
Energy: 1.3608393472359601
Energy: 1.3909262489070737
Energy: 1.5063568697861875
Energy: 1.34614242153214
Energy: 1.406747922961502
Energy: 1.3420911010504355
Energy: 1.4329559575877293
Energy: 1.3909262489054126
Energy: 1.5063568697815362
Energy: 1.3461424215059237
Energy: 1.4067479229651565
Energy: 1.411028384632057
Energy: 1.371996017376547
Energy: 1.4543287049352358
Energy: 1.4436728479866499
Energy: 1.3796437670052226
Energy: 1.345300930973261
Energy: 1.411028384630064
Energy: 1.3719960173705668
Energy: 1.4543287049418805
Energy: 1.4436728479859853
Energy: 1.3570986308032331
Energy: 1.4435364105635977
Energy: 1.4051227299077025
Energy: 1.470807284326967
Energy: 1.3918966339952914
Energy: 1.384604126913487
Energy: 1.3570986308052262
Energy: 1.443536410564262
Energy: 1.40512272990737
Energy: 1.4708072843299573
Energy: 1.3886934108768652
Energy: 1.4039644237688473
Energy: 1.4091466603883636
Energy: 1.3506567444368065
Energy: 1.460969554868165
Energy: 1.327635440730638
Energy: 1.388693410868227
Energy: 1.4039644237784823
Energy: 1.4091466603953406
Energy: 1.3506567444361421
Energy: 1.3442447678453646
Energy: 1.3660085713970684
Energy: 1.4784099863625464
Energy: 1.550492032395202
Energy: 1.3753731835705956
Energy: 1.4363230804340208
Energy: 1.3442447678500158
Energy: 1.3660085713964039
Energy: 1.4784099863612172
Energy: 1.5504920323985245
Energy: 1.3154455672279595
Energy: 1.3860130496228191
Energy: 1.3435495328940734
Energy: 1.5377763708456464
Energy: 1.4340056242985348
Energy: 1.3920828366078142
Energy: 1.3154455672259662
Energy: 1.3860130496248122
Energy: 1.3435495328927447
Energy: 1.5377763708400285
Energy: 1.400572526482347
Energy: 1.373519673427937
Energy: 1.4714010129026667
Energy: 1.3082914835997685
Energy: 1.4046185638182513
Energy: 1.3114118094179774
Energy: 1.4005725264896562
Energy: 1.373519673410328
Energy: 1.4714010129056567
Energy: 1.308291483593124

minimum gb energy = 1.306107624698965 eV
minimum distance =  2.24547834835128 Angstroms
sigma value = 437


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

Energy: 1.4104728278580703
Energy: 1.487074488918751
Energy: 1.3949831564126633
Energy: 1.817656422036407
Energy: 1.3943011303293198
Energy: 1.4881734447520893
Energy: 1.4104728278604637
Energy: 1.4870744889090677
Energy: 1.3949831564211363
Energy: 1.8176564220376175
Energy: 1.4189778014714303
Energy: 1.7551805744618962
Energy: 1.3492955572317682
Energy: 1.36078158989297
Energy: 1.5429473977386878
Energy: 1.3549626665208099
Energy: 1.4189778014738512
Energy: 1.7551805744631068
Energy: 1.349295557234189
Energy: 1.36078158989297
Energy: 1.3617305624696718
Energy: 1.3534824923812907
Energy: 1.6752111735521058
Energy: 1.359143071315975
Energy: 1.351105074785572
Energy: 1.3766888642156268
Energy: 1.3617305625011424
Energy: 1.3534824923849222
Energy: 1.675211173549685
Energy: 1.359143071315975
Energy: 1.7119142402588312
Energy: 1.347410627725032
Energy: 1.3678967344740987
Energy: 1.3211067877320055
Energy: 1.3728399544341865
Energy: 1.3400010402970448
Energy: 1.7119142402636727
Energy: 1.3474106277238214
Energy: 1.3678967344753092
Energy: 1.3211067877344265
Energy: 1.350220444300989
Energy: 1.3795174179834968
Energy: 1.3765259950815305
Energy: 1.435767927837879
Energy: 1.2989782939780914
Energy: 1.3328466658449034
Energy: 1.3502204442985686
Energy: 1.3795174179847072
Energy: 1.37652599508032
Energy: 1.4357679278342474
Energy: 1.3448510815007388
Energy: 1.4324128898252848
Energy: 1.356446581455131
Energy: 1.339174032313349
Energy: 1.336239494907956
Energy: 1.4625649708810082
Energy: 1.3448510814934764
Energy: 1.4324128902414686
Energy: 1.3564465814623934
Energy: 1.3391740323109282
Energy: 1.656199464169583
Energy: 1.3606173532556312
Energy: 1.4197357144369984
Energy: 1.31913778543267
Energy: 1.350039802781137
Energy: 1.3541170255879147
Energy: 1.6561994641647415
Energy: 1.360617353248369
Energy: 1.4197357144369984
Energy: 1.3191377854314597
Energy: 1.3626550668679847
Energy: 1.3608092676283101
Energy: 1.3494015119900804
Energy: 1.3209651398274729
Energy: 1.5057037708466092
Energy: 1.3472730755775344
Energy: 1.3626550668679847
Energy: 1.3608092676222583
Energy: 1.3494015119925011
Energy: 1.3209651398177895
Energy: 1.3231572612684965
Energy: 1.433502078119131
Energy: 1.694632354698524
Energy: 1.3535124005713202
Energy: 1.3940097734047698
Energy: 1.616450679071808
Energy: 1.3231572612672862
Energy: 1.4335020781155
Energy: 1.694632354704576
Energy: 1.3535124005580335
Energy: 1.497151140970949
Energy: 1.3494835918733892
Energy: 1.3370677863175815
Energy: 1.4395543627522889
Energy: 1.349657454065057
Energy: 1.566021033344784
Energy: 1.497151140968528
Energy: 1.3494835918685475
Energy: 1.3370677863139506
Energy: 1.439554362753499
Energy: 1.5861631591368293
Energy: 1.3373016138983755
Energy: 1.3511354256591848
Energy: 1.360135530376769
Energy: 1.4279633247615855
Energy: 1.3483196433251134
Energy: 1.5861631591344085
Energy: 1.3373016138971647
Energy: 1.3511354256579744
Energy: 1.3601355303743483
Energy: 1.3229704778918794
Energy: 1.3605654699146712
Energy: 1.5772254988452954
Energy: 1.3265611533243242
Energy: 1.5807347537793934
Energy: 1.3598099415507456
Energy: 1.3229704778894587
Energy: 1.3605654699195129
Energy: 1.577225498841664
Energy: 1.3265611533255348
Energy: 1.5863860968458683
Energy: 1.348668184666282
Energy: 1.4279633247627959
Energy: 1.360044551279053
Energy: 1.3510129593190914
Energy: 1.338636300320524
Energy: 1.5863860968434473
Energy: 1.3486681846626507
Energy: 1.4279633247652166
Energy: 1.3600445512838948
Energy: 1.5131901082092254
Energy: 1.5625941752860313
Energy: 1.3496778950579105
Energy: 1.4411207436619575
Energy: 1.3604517507190725
Energy: 1.3493039252929149
Energy: 1.5131901082056218
Energy: 1.5625941752896624
Energy: 1.3496778950603312
Energy: 1.4411207436631683

minimum gb energy = 1.2989782939780914 eV
minimum distance =  2.24265377721306 Angstroms
sigma value = 33