Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073718130588532
cohesive_energy=3.2103875034027074
mass=26.981538
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=[7.900060612226219e-20, 1.9755158332546798e-19, 2.81648232667494e-19, 3.3075334432296e-19, 3.61697783832036e-19, 3.8538916971899394e-19, 4.0597553728925996e-19, 4.2372765439397995e-19, 4.388778366450839e-19, 4.517208845432279e-19, 4.62631707420768e-19, 4.72204712808918e-19, 4.806321619037579e-19, 4.87920463411824e-19, 4.941000586891619e-19, 4.99220615211426e-19, 5.0339428534299595e-19, 5.067284149183499e-19, 5.09314328005626e-19, 5.11243348672962e-19, 5.12645253227712e-19, 5.13596946148308e-19, 5.141448905571359e-19, 5.14321129986876e-19, 5.1413047096743e-19, 5.13504019903536e-19, 5.123424418438859e-19, 5.10538390954002e-19, 5.07885186448098e-19, 5.0092853550327e-19, 4.81194525902292e-19, 4.36404075922188e-19, 3.4933859327736e-19, 1.9428794952200999e-19, -6.95730783724794e-20, -5.08510035335358e-19, -1.2321779730272098e-18, -1.66527034984692e-18, -1.69127367661674e-18, -1.7257845613130999e-18, -1.77098196415824e-18, -1.8289647365427e-18, -1.90341788472468e-18, -1.9992921345032398e-18, -2.1247105214127597e-18, -2.2936600474680597e-18, -2.5266165300516598e-18, -2.8571455696458597e-18, -3.3338572053262196e-18, -4.03038747519138e-18, -5.0722829402815795e-18, -6.6741711824874596e-18, -9.263144427134399e-18, -1.382215406094774e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.143095413925774 eV

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

Energy: 0.01103057508728499
Energy: 40.73857857708232
Energy: 58.945458133934295
Energy: 0.05168348709265216
Energy: 0.01165859673484592
Energy: 0.011853528398368327
Energy: 42.137842712860774
Energy: 60.57828870270566
Energy: 0.051703832841714654
Energy: 0.011515293834097159
Energy: 40.5020724201724
Energy: 37.621361891621916
Energy: 40.62258571842467
Energy: 0.052047713046401045
Energy: 36.20437900792681
Energy: 40.357092573596596
Energy: 37.365511951024686
Energy: 40.70571586378637
Energy: 0.05190625306244588
Energy: 37.87604660049112
Energy: 43.67101114173301
Energy: 0.011561236307627815
Energy: 0.011377214782673409
Energy: 38.257649847062076
Energy: 60.78553618094787
Energy: 41.33347111962744
Energy: 0.011483000298994192
Energy: 0.011451793705150691
Energy: 38.857883312668704
Energy: 61.06614331745651
Energy: 0.05180246554406619
Energy: 0.011416719621117644
Energy: 0.011431388385824639
Energy: 36.715928507265744
Energy: 0.051624645605449826
Energy: 33.40502800599747
Energy: 0.01146316537786192
Energy: 0.01135281071513829
Energy: 37.11820334278956
Energy: 0.05152026901543432
Energy: 35.72761246487894
Energy: 0.051727159839491485
Energy: 37.24969998598478
Energy: 0.011440337017697713
Energy: 0.01138242606733598
Energy: 0.05168626799771428
Energy: 40.92241790203637
Energy: 38.0100085214809
Energy: 0.011459405250928785
Energy: 39.57317083841013
Energy: 42.72179461208546
Energy: 58.887615529440694
Energy: 37.747205696080556
Energy: 0.011359487039772647
Energy: 0.011817064670176874
Energy: 40.95202882486702
Energy: 57.84313164688444
Energy: 39.02735824971252
Energy: 0.011452908539367309
Energy: 0.01185035442007701
Energy: 0.011570405384538174
Energy: 34.98406161293759
Energy: 0.05190643218173027
Energy: 40.35304929261891
Energy: 36.887682989574145
Energy: 0.011577282337295727
Energy: 33.43836546163359
Energy: 0.05189545227602544
Energy: 39.61652211778819
Energy: 37.37981473726129

minimum gb energy = 0.01103057508728499 eV
minimum distance =  1.430027863645 Angstroms
sigma value = 3


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

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Energy: 15.493284883005494
Energy: 0.44769944456154703
Energy: 0.4459032281992543
Energy: 0.4885898566043257
Energy: 0.5168803969027306
Energy: 0.45869307410221705
Energy: 0.4600009273060258
Energy: 0.4467243784429426
Energy: 0.4406384508793261
Energy: 16.05977508454802
Energy: 0.5224481446622266
Energy: 0.4862252986171152
Energy: 0.45015041369258174
Energy: 0.35472383178145944
Energy: 0.354004774040947
Energy: 0.5422808976130787
Energy: 0.4884960417164619
Energy: 0.4034581660847636
Energy: 10.33094851784242
Energy: 0.3861832922429516
Energy: 0.45455195815679394
Energy: 0.39549866092257774
Energy: 0.43132863359982215
Energy: 8.217837674735517
Energy: 0.35479055977942053
Energy: 0.45198979584421134
Energy: 0.3872868494753898
Energy: 0.38535763775029325
Energy: 8.487976531744025
Energy: 0.3800574452533847
Energy: 20.82632579730001
Energy: 0.39149602189527427
Energy: 0.3577772001355914
Energy: 8.263232330167988
Energy: 0.35484177983141624
Energy: 21.085042104243247
Energy: 0.3928128134108337
Energy: 0.38473167481839227
Energy: 8.14516008750074
Energy: 8.25183922018166
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Energy: 0.45030082508662883
Energy: 0.46566957852316243
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Energy: 0.3545338973416075
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Energy: 0.46423380531140446
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Energy: 0.44599823751795403
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Energy: 0.4495371071044212
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Energy: 24.435401281232863
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Energy: 0.47019715078664137
Energy: 0.553418156490155
Energy: 9.705728692232586
Energy: 0.45251402753401865
Energy: 0.4519447934108026
Energy: 0.4664671705357907
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Energy: 0.45206886759980447
Energy: 0.4550480417284113
Energy: 0.37928409361161514
Energy: 9.71622605546564
Energy: 0.46556208783040764
Energy: 0.45255802981145543
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Energy: 0.38111389015507713
Energy: 0.5356059248523911
Energy: 0.48953701370481667
Energy: 0.44821178794264904
Energy: 8.988503993969
Energy: 0.4079179005950002
Energy: 0.49970524913680253
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Energy: 0.40638710829581015
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Energy: 0.3843876265731881
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Energy: 0.3874589708068411
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Energy: 8.254868442015018
Energy: 0.411360102606927
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Energy: 0.3913556125444285
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Energy: 18.720671060744767
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Energy: 0.44858367565663837
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Energy: 0.4914568839251834
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Energy: 8.630324053796528
Energy: 8.200488312809725
Energy: 0.4558226664050322
Energy: 0.47765616662585575
Energy: 0.44797355404718897
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Energy: 24.406176220111693
Energy: 0.456130858863189
Energy: 0.4774658937776152
Energy: 7.609188483394104
Energy: 24.500668287211184
Energy: 23.994478250764463
Energy: 0.45404898690034107
Energy: 0.44777326108725835
Energy: 0.41825561775422776
Energy: 0.3839442747887862
Energy: 0.420891262444223
Energy: 0.45895521799096384
Energy: 0.44749695392253885
Energy: 0.4072406074352606
Energy: 0.38245108072448053
Energy: 0.4719229812708213
Energy: 0.45110188013211705
Energy: 20.621514323568924
Energy: 0.4221826050085595
Energy: 0.35557764647746704
Energy: 18.236767108372593
Energy: 0.3850276619377983
Energy: 20.290538744502733
Energy: 0.3852687444693692
Energy: 0.40523289949554614
Energy: 19.71858525427013
Energy: 0.3934678708980561
Energy: 20.784407367965198
Energy: 8.674134883793712
Energy: 7.971584004880337
Energy: 0.4097133279092511
Energy: 0.38655757854884215
Energy: 20.255945115518863
Energy: 8.555598353041793
Energy: 7.9732943918311125
Energy: 19.09939428336649
Energy: 0.3844814768602078
Energy: 0.5094945274705851
Energy: 18.191842704271938
Energy: 0.40704095969272697
Energy: 9.228679460834496
Energy: 0.4450351380943335
Energy: 0.44208000670256536
Energy: 17.920531718591075
Energy: 0.3831514182185663
Energy: 9.61758721781817
Energy: 0.47791457015674627
Energy: 0.41865908555492615
Energy: 0.48662234210555133
Energy: 0.45650805790143817
Energy: 0.46077839898058515
Energy: 0.46370361290626083
Energy: 18.116797602802396
Energy: 19.0672751095373
Energy: 9.765213204898453
Energy: 0.44906449778625845
Energy: 0.4636790664660658
Energy: 11.378266592196367
Energy: 0.40429018085384005
Energy: 0.4435313503737489
Energy: 9.701860592953981
Energy: 0.4587900683365032
Energy: 0.3549420851168005
Energy: 0.3559066083216625
Energy: 0.4461824147661083
Energy: 9.775964948317245
Energy: 10.009749378906513
Energy: 0.5004658525312984
Energy: 14.945740815999896
Energy: 0.44836739438320694
Energy: 0.44141912198690586
Energy: 0.45964805788154517
Energy: 0.5192598718615915
Energy: 0.4571696488078526
Energy: 0.4459752404470177
Energy: 0.44427393453783603
Energy: 0.4472423566581397

minimum gb energy = 0.354004774040947 eV
minimum distance =  2.56976946797683 Angstroms
sigma value = 75


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

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Energy: 8.414672607046276
Energy: 0.4167653020853973
Energy: 0.43910091567839127
Energy: 0.4249861652943065
Energy: 0.45752653902022655
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Energy: 5.977872387399755
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Energy: 0.4618978637380666
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Energy: 0.42510300866941053
Energy: 21.471934278982204
Energy: 0.41665331975926084
Energy: 0.4250105142400165
Energy: 5.470431489446164
Energy: 20.94568706331097
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Energy: 6.055557740927274
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Energy: 0.42102628608792403
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Energy: 0.43790368498319227
Energy: 0.4453802902880638
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Energy: 0.442082310988745
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minimum gb energy = 0.40262086029525934 eV
minimum distance =  1.27565861025983 Angstroms
sigma value = 105


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

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Energy: 19.659943692935958
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Energy: 7.401802446338328
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Energy: 15.315194171105004
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Energy: 7.2471248400528685
Energy: 14.973888328866005
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Energy: 0.43014057898553804
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Energy: 0.42015025462613265
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Energy: 0.41768483773553045
Energy: 7.399528437867232
Energy: 0.4197587375595495
Energy: 0.4205675461349209
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Energy: 0.44488781013931156
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Energy: 0.4088925628465406
Energy: 13.260870828395456
Energy: 17.5626374119177
Energy: 0.42315531761304676
Energy: 10.277124100126132
Energy: 16.020598059213732
Energy: 13.30975806166175
Energy: 17.19443253079057
Energy: 0.4386574627519334
Energy: 0.415523332404867
Energy: 0.4017048595430115
Energy: 14.02212237264254
Energy: 18.23918767820164
Energy: 0.43983880683887255
Energy: 0.4151187697241647
Energy: 16.356917406561905
Energy: 14.136293914058411
Energy: 0.4428461608151196
Energy: 0.44454045554509636
Energy: 0.40904556372926354
Energy: 0.41281685973538734
Energy: 0.4469023278950927
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Energy: 0.4186456083175612
Energy: 0.41352467014373356
Energy: 0.4314487048517267
Energy: 0.4461834312213519
Energy: 19.146941228200554
Energy: 14.776904785482861
Energy: 0.4209398837224806
Energy: 11.583044456308688
Energy: 9.101245116055523
Energy: 11.911157908276918
Energy: 14.296380714407778
Energy: 0.4475200748615875
Energy: 11.805295847459632
Energy: 8.52262429794653
Energy: 0.4153721049716181
Energy: 0.4200909466074039
Energy: 0.41211649835741526
Energy: 8.27250920432798
Energy: 0.4022483938501631
Energy: 0.4175201602628144
Energy: 0.42682844409332515
Energy: 0.41331550361985436
Energy: 8.465277070682946
Energy: 0.4126300022447899
Energy: 0.47263952314226904
Energy: 21.71439831317451
Energy: 0.43724298096497605
Energy: 0.4118819716254594
Energy: 21.525928051039134
Energy: 0.4046575404232024
Energy: 16.43636891914702
Energy: 0.4281167258015555
Energy: 0.4313319638656167
Energy: 0.45232144189673845

minimum gb energy = 0.4017048595430115 eV
minimum distance =  2.59114674311093 Angstroms
sigma value = 165


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

Energy: 0.533297018696088
Energy: 25.71680145071277
Energy: 0.39428200764328375
Energy: 0.3919619799433321
Energy: 0.38411729771944625
Energy: 0.48390917142466233
Energy: 14.218463890557338
Energy: 0.4033269596538041
Energy: 0.3978549200437902
Energy: 22.265658521632066
Energy: 24.595902502402204
Energy: 13.217265973146118
Energy: 0.39333087888081425
Energy: 0.3917234828687567
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Energy: 0.39984701259468425
Energy: 0.3975044707596342
Energy: 0.41222034060834645
Energy: 14.462380334216622
Energy: 12.818508985162207
Energy: 21.357938793403004
Energy: 0.44652813320658374
Energy: 0.39578513527297365
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Energy: 12.174180731909894
Energy: 21.270802610603617
Energy: 21.40942658801741
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Energy: 0.4583972929874352
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Energy: 0.3807378816657835
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Energy: 23.580515601694074
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Energy: 0.4136156642348229
Energy: 0.41145348851369856
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Energy: 0.38499637157514505
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Energy: 20.23392464237463
Energy: 20.924138668329388
Energy: 0.4139344411912884
Energy: 11.497897120771096
Energy: 0.39648645584940956
Energy: 21.40060629876659
Energy: 21.334650681224677
Energy: 12.908862486189147
Energy: 0.47785101046054523
Energy: 13.382226263030642
Energy: 21.45839809622341
Energy: 21.307946536244952
Energy: 13.144712832291308
Energy: 0.4780198977514847
Energy: 14.156468405462551
Energy: 0.3914383076366877
Energy: 0.40695918356110344
Energy: 0.3850288098852681
Energy: 0.40512269381338245
Energy: 0.4128790971368573
Energy: 0.40578038040701003
Energy: 0.4112383931232588
Energy: 0.4101900374497423
Energy: 0.4121050550117659
Energy: 0.4288528417254064
Energy: 0.40018439538773065
Energy: 19.322228792648136
Energy: 10.309637782602675
Energy: 0.41755096223242827
Energy: 0.42871745401311045
Energy: 0.3966746187482735
Energy: 0.4104584306331785
Energy: 10.516933378485446
Energy: 0.3967806622781512
Energy: 22.521683375318784
Energy: 0.41045967869487976
Energy: 0.417026833009941
Energy: 0.39725710740572645
Energy: 10.984591006054842
Energy: 23.187584200351278
Energy: 0.41791158761539277
Energy: 0.4055136446499395
Energy: 0.39599328592831495
Energy: 11.002485154147916
Energy: 0.3955258959828154
Energy: 0.4047685915346741
Energy: 0.41732511473885836
Energy: 0.4027761565004665
Energy: 10.591012035594538
Energy: 0.39735831201447874
Energy: 0.4048565032872998
Energy: 0.3981170606190335
Energy: 0.40692082560925014
Energy: 14.321427303526486

minimum gb energy = 0.3807378816657835 eV
minimum distance =  1.27654005637649 Angstroms
sigma value = 41


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

Energy: 15.781452357012991
Energy: 23.53832379836827
Energy: 0.3326923993519
Energy: 0.32558079282546626
Energy: 22.267310583885518
Energy: 15.716238243818816
Energy: 18.745366516380447
Energy: 0.3424034341807112
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Energy: 0.35105014476023494
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Energy: 18.083147328653208
Energy: 13.301559330042782
Energy: 14.33823494488532
Energy: 9.520133708435969
Energy: 17.253412401473483
Energy: 0.33252262597754434
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Energy: 14.209156725033475
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Energy: 15.941587433670398
Energy: 0.3460196340060672
Energy: 0.3462580798982277
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Energy: 0.3819916328761973
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Energy: 15.3299752425194
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Energy: 0.3726622622471925
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Energy: 17.570455488965408
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Energy: 0.3321062338505902
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Energy: 0.3477955719478135
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Energy: 16.790069085484248
Energy: 0.3504536534836681
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Energy: 0.3471236969969687
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Energy: 0.350780924032279
Energy: 0.3975896315893234
Energy: 0.3520584576383791
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Energy: 0.33839484614458765
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Energy: 0.3559369209408675
Energy: 15.41128703110728
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Energy: 15.230638801463579
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Energy: 8.830620898514947
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Energy: 19.326441153490943
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Energy: 15.70386824602693
Energy: 0.32739754344051214
Energy: 0.3392448860523771
Energy: 0.33813572466167335
Energy: 22.4394619004887
Energy: 15.36375269148535
Energy: 0.34155831147079524
Energy: 0.3412569846431107
Energy: 0.3374428364682577
Energy: 16.293900417674372
Energy: 0.36449311807222223
Energy: 18.112215597538803
Energy: 8.20120759883175
Energy: 0.35835278027270945
Energy: 16.93801180570246
Energy: 0.35155785694166747
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Energy: 8.345205364426613
Energy: 0.3425846616609345
Energy: 0.3323011867570451
Energy: 23.423754424100597
Energy: 0.3514604933431164
Energy: 8.373780425755244
Energy: 0.33726191571522707
Energy: 0.3279569945037885
Energy: 22.248024774141392
Energy: 0.3315927301020429
Energy: 8.427575433949876
Energy: 0.33776137829978115
Energy: 14.669435863949433
Energy: 19.903328434849367
Energy: 0.3721686599091533
Energy: 0.3737200552349788
Energy: 19.53287709193359
Energy: 14.5898449562436
Energy: 16.097901283168373
Energy: 0.3536903004503892
Energy: 0.35592344821986166
Energy: 19.57912941843397

minimum gb energy = 0.32393704374589516 eV
minimum distance =  1.12718191269925 Angstroms
sigma value = 185


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

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Energy: 26.857892795371498
Energy: 0.22372325672625484
Energy: 0.2279785720599964
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Energy: 0.1371570148928161
Energy: 20.394333063679774
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Energy: 0.2382997915243364
Energy: 22.671528857003064
Energy: 0.14150826377653627
Energy: 21.176014566631643
Energy: 53.553794848383994
Energy: 0.24217963887964847
Energy: 0.12460597660919455
Energy: 0.12695914890654914
Energy: 22.301964872533212
Energy: 35.22517535865521
Energy: 0.24618923864234396
Energy: 0.14741939294663492
Energy: 0.1502836349037765
Energy: 22.997217615893085
Energy: 37.66639271005195
Energy: 23.96362299749642
Energy: 20.010675333647214
Energy: 20.839401141780748
Energy: 0.23452010905544757
Energy: 38.38760760654607
Energy: 0.2320925057004673
Energy: 20.083684403151754
Energy: 21.655197030008907
Energy: 0.2151922192095992
Energy: 36.55444560893573
Energy: 0.231221801988114
Energy: 0.21575564976055314
Energy: 27.505706521620127
Energy: 0.22148414412224554
Energy: 0.2633157927009423
Energy: 23.23689170262076
Energy: 0.14639037609437258
Energy: 23.352499470018582
Energy: 0.2636272582040308
Energy: 0.282137166724564
Energy: 0.215875388679861

minimum gb energy = 0.10140619046574847 eV
minimum distance =  2.63019301413817 Angstroms
sigma value = 33


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

Energy: 0.357456545804369
Energy: 22.362298994822062
Energy: 0.2938172961085991
Energy: 0.2912278049898794
Energy: 15.77431685490946
Energy: 0.3279852987264642
Energy: 19.44811203204072
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Energy: 0.3076692847542312
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Energy: 12.780130840449317
Energy: 0.2968650704989443
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Energy: 0.3075617185012681
Energy: 11.904939949527675
Energy: 12.258212757887716
Energy: 0.2942280528731876
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minimum gb energy = 0.2867171339477756 eV
minimum distance =  1.07441257668314 Angstroms
sigma value = 219


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

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Energy: 19.812276027658463
Energy: 0.3896963903097248
Energy: 20.076679028744433
Energy: 0.3882775543226038
Energy: 16.584389786068524

minimum gb energy = 0.3703306015276277 eV
minimum distance =  1.27942591834389 Angstroms
sigma value = 15


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

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Energy: 13.50885209324229
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minimum gb energy = 0.44156225935323723 eV
minimum distance =  1.04230333546017 Angstroms
sigma value = 293


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

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Energy: 0.4723977588552875
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Energy: 0.45309438211885067
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Energy: 0.4536934363761689
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Energy: 17.933787367848144
Energy: 17.237847684062448
Energy: 0.4894967578295919
Energy: 0.44806076616241974
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Energy: 18.257575523577728
Energy: 0.4481373081861724
Energy: 0.48843214439149335
Energy: 0.44756667364868824
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Energy: 18.694394899233167
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Energy: 0.44761289605350946
Energy: 15.941061667990194
Energy: 19.157083430666972
Energy: 0.4636809329953711
Energy: 0.452324885140221

minimum gb energy = 0.44182666235859486 eV
minimum distance =  2.58122813323275 Angstroms
sigma value = 293


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

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Energy: 0.42330498383485077
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Energy: 26.80904858919895
Energy: 0.41556560199192
Energy: 0.4143899828796196
Energy: 25.722820016982414
Energy: 0.4144707083045065
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Energy: 0.4146793345391889
Energy: 25.52761944123351
Energy: 26.172655575302276
Energy: 24.97000627240194
Energy: 23.62293099098041
Energy: 0.41470920613226636
Energy: 25.951244022710735
Energy: 23.658059974776748
Energy: 27.267474187401326
Energy: 31.857320472460138
Energy: 33.10863736831634
Energy: 0.4235288196821109
Energy: 24.507620880736724
Energy: 27.940780175329746
Energy: 32.65453670872242
Energy: 31.467253016939136
Energy: 0.424610579108843
Energy: 0.4150568149825774
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Energy: 0.4147830652819895
Energy: 25.436002285758324
Energy: 0.41733050195742966
Energy: 48.01163881455056
Energy: 24.962236071829633

minimum gb energy = 0.4137677972419469 eV
minimum distance =  1.2317701682109 Angstroms
sigma value = 15


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

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Energy: 21.335756088278416
Energy: 0.47465533478581945
Energy: 0.46692895096396553
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Energy: 0.45773547784186136
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Energy: 13.022254127123366
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Energy: 0.4676626690095984
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Energy: 0.4908072860439726
Energy: 0.47376923227863704
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Energy: 0.469266361794104
Energy: 0.49594875001436073
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Energy: 8.35224693075877
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Energy: 0.4880549062546346
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Energy: 10.97716560494407
Energy: 12.318212608581172
Energy: 0.5084722123961035
Energy: 0.44966255771998137
Energy: 13.459808927009217
Energy: 11.372169769283289
Energy: 11.960042867898393
Energy: 0.48655283353866796
Energy: 0.4472559736223791
Energy: 16.2069539715189
Energy: 0.4593477070549661
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Energy: 18.544303776973717
Energy: 0.48098555058904097
Energy: 0.4855565756469292
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Energy: 0.4703718614908726
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Energy: 0.4991625887512829
Energy: 0.516987891065937
Energy: 15.57365416619178
Energy: 0.452240411108535
Energy: 17.901690465057687
Energy: 0.5027402275064996
Energy: 14.640831711933082
Energy: 14.999019401658902
Energy: 0.450259813943487
Energy: 18.01733378904419
Energy: 0.4672184496961319
Energy: 0.4710299577134997
Energy: 8.332961627817708
Energy: 0.4528339100902498
Energy: 0.4569239252164468
Energy: 0.47027788016715516
Energy: 8.540006184383033
Energy: 7.962994094879847
Energy: 0.4532126241076778
Energy: 0.4567888750450564
Energy: 15.098758810916626
Energy: 0.47694567703864116
Energy: 0.49848152832718207
Energy: 0.45028766528162184
Energy: 0.4499897902598147
Energy: 16.08198932748293
Energy: 0.48787310590000277
Energy: 0.489789938854941
Energy: 0.4514619797298327
Energy: 0.45097852527225535
Energy: 16.120562607335504
Energy: 0.4574488113446044
Energy: 0.4637058683940507
Energy: 16.942278001528063
Energy: 11.284723594455267
Energy: 17.04647728180243
Energy: 0.45416920987691023
Energy: 0.46501060356609136
Energy: 17.052853164187592
Energy: 11.005413581911975
Energy: 0.45070963116275053
Energy: 0.4515275085282174
Energy: 0.4845167387124932
Energy: 0.5271896269287781
Energy: 16.615835959627
Energy: 0.44272444131412947
Energy: 0.4446760150326836
Energy: 8.440535258935505
Energy: 0.5223813779352053
Energy: 0.4846640385269582
Energy: 0.4515130431956095
Energy: 6.456514617163066
Energy: 0.44932200413251633
Energy: 0.4720717743112552
Energy: 0.46197376069951035
Energy: 0.45802598104749004
Energy: 6.381926697976688
Energy: 0.46415679719781733
Energy: 0.4843502569861182
Energy: 0.4575683243837509
Energy: 0.4513318276292105
Energy: 0.447614709935146
Energy: 0.5175841229775411
Energy: 0.5240650887725742
Energy: 0.4756931655416125
Energy: 0.47213238083195774
Energy: 0.48885207860769564
Energy: 0.5167437305060852
Energy: 14.19456790336087
Energy: 0.4696706860579257
Energy: 15.721882346526167
Energy: 20.54756040111559
Energy: 0.47200716981904095
Energy: 0.4524096359587078
Energy: 18.300908337722884
Energy: 15.681758422445599
Energy: 17.433935721921102
Energy: 0.46739280065344785
Energy: 0.47405920027243165
Energy: 19.14025962706262

minimum gb energy = 0.43535973075832773 eV
minimum distance =  1.03825986476385 Angstroms
sigma value = 437


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

Energy: 0.5924436136534532
Energy: 24.147128942214234
Energy: 0.4531042256563785
Energy: 0.4772443621099081
Energy: 19.415730974839967
Energy: 0.5878619060787958
Energy: 22.459724150808615
Energy: 0.44432139706492246
Energy: 0.44199714130524964
Energy: 0.45204738298400776
Energy: 24.177238584330727
Energy: 0.4605010262278087
Energy: 0.4510583118011273
Energy: 0.5064944321753432
Energy: 12.773660271140123
Energy: 24.06245819301938
Energy: 0.43802399492401867
Energy: 0.496281164304536
Energy: 12.519123457024325
Energy: 0.44444620885250863
Energy: 0.4730523496012053
Energy: 0.4783407495741251
Energy: 11.058986481569269
Energy: 10.341143953975433
Energy: 0.4700973962987005
Energy: 0.4728190911351941
Energy: 0.5073507783227496
Energy: 11.4207947778183
Energy: 10.159522166189614
Energy: 0.47480917563097513
Energy: 0.44548722454840406
Energy: 22.514472778587972
Energy: 0.4540281552327808
Energy: 0.48299959570118994
Energy: 0.47736034692624124
Energy: 0.44677551107980795
Energy: 0.4468931010520991
Energy: 0.45492922134905345
Energy: 0.48298703098682605
Energy: 0.4713812079064154
Energy: 13.93184561578141
Energy: 0.4557301354701399
Energy: 15.157229821956387
Energy: 0.45191095321044394
Energy: 16.985841174171235
Energy: 13.115380981311985
Energy: 14.34121639242921
Energy: 14.798441281125475
Energy: 12.74736539062319
Energy: 17.002176253208575
Energy: 16.57822956627711
Energy: 0.4503342399266253
Energy: 0.4329983662239736
Energy: 14.324855727135304
Energy: 0.5897186511029774
Energy: 15.304575305024876
Energy: 0.4450731672160762
Energy: 0.48045861761775893
Energy: 20.42797855245017
Energy: 0.5915599115504656
Energy: 0.45937213157133
Energy: 9.82855088687085
Energy: 10.091736334290577
Energy: 0.47329369495110596
Energy: 13.226270398790026
Energy: 0.45961849203331817
Energy: 10.260096670446615
Energy: 9.849326412418675
Energy: 0.4738161244839691
Energy: 13.114257577180066
Energy: 0.4675465704611558
Energy: 0.47731802056118344
Energy: 0.45078383110004916
Energy: 15.957716354874629
Energy: 13.86462604889393
Energy: 0.473726514435336
Energy: 0.4774980757084656
Energy: 0.44483128522568394
Energy: 16.09744697160555
Energy: 0.5165980794171433
Energy: 0.44390278030925895
Energy: 0.4924759377730409
Energy: 16.554206013748242
Energy: 13.952409689540811
Energy: 0.44451329691106367
Energy: 16.202641403068295
Energy: 0.47819959861139016
Energy: 0.506644614036497
Energy: 14.208339074479865
Energy: 0.4440974626641245
Energy: 27.035396386896416
Energy: 0.44453131942884866
Energy: 17.417902843667687
Energy: 14.149698871179526
Energy: 17.5819665531303
Energy: 0.4660169417919982
Energy: 0.44821632591911054
Energy: 0.44758587304240205
Energy: 14.38377942946327
Energy: 13.54261182170785
Energy: 0.43948233350283394
Energy: 0.4384750544928201
Energy: 0.454172918420709
Energy: 15.253990754538759
Energy: 0.43745679393485126
Energy: 0.4386533349793195
Energy: 0.4383430951177515
Energy: 0.45546250758555434
Energy: 15.34054200926605
Energy: 18.509345258724462
Energy: 0.439225502855542
Energy: 8.824060440451277
Energy: 0.43948778369477687
Energy: 0.46565557276243325
Energy: 0.44088523896887855
Energy: 0.4397535049668299
Energy: 8.669662111814914
Energy: 0.43908905505140305
Energy: 0.4348180264283475
Energy: 0.4406421998616758
Energy: 0.4391912245783442
Energy: 0.440666969681937
Energy: 0.4434282988400273
Energy: 0.4936911945180758
Energy: 0.46240846287608134
Energy: 0.4407205660217621
Energy: 0.4403729323554496
Energy: 0.5407886479899197
Energy: 0.4935147061462301
Energy: 0.46239032279828995
Energy: 15.54122429088875
Energy: 23.75670671133145
Energy: 0.46477521865243165
Energy: 0.4458150867734774
Energy: 18.77927889678343
Energy: 15.50821943363301
Energy: 22.173720813822882
Energy: 0.4643797668968313
Energy: 0.448576201874859
Energy: 0.45257298806447094

minimum gb energy = 0.4329983662239736 eV
minimum distance =  2.64171197679654 Angstroms
sigma value = 33