Model name: model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
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=4.0499994456768045
cohesive_energy=3.299025747576126
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.061233718112 eV

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

Energy: 0.011494459824779629
Energy: 0.17523093965127381
Energy: 0.17523093965127381
Energy: 0.011494459824779629
Energy: 0.17523093965127381
Energy: 0.17523093965127381
Energy: 0.011494459824779629
Energy: 0.17523093965127381
Energy: 0.17523093965127381
Energy: 0.011494459824779629
Energy: 0.17585388339162616
Energy: 0.011815380427654941
Energy: 0.5386870924859904
Energy: 0.17585388339277783
Energy: 0.011815380426503272
Energy: 0.5386870924859904
Energy: 0.17585388339162616
Energy: 0.011815380427654941
Energy: 0.5386870924859904
Energy: 0.17585388339277783
Energy: 0.734877377240906
Energy: 0.09368981530511113
Energy: 0.09368981530280779
Energy: 0.748699461039652
Energy: 0.33129477114248596
Energy: 0.012016652514217269
Energy: 0.5906663316023117
Energy: 0.10667002491698262
Energy: 0.012016652514217269
Energy: 0.5906663316011601
Energy: 0.17585388339162616
Energy: 0.5386870924859904
Energy: 0.011815380427654941
Energy: 0.17585388339162616
Energy: 0.5386870924859904
Energy: 0.011815380427654941
Energy: 0.17585388339162616
Energy: 0.5386870924859904
Energy: 0.011815380427654941
Energy: 0.17585388339162616
Energy: 0.011494459824779629
Energy: 0.17523093965127381
Energy: 0.17523093965127381
Energy: 0.01149445982362796
Energy: 0.17523093965127381
Energy: 0.17523093965127381
Energy: 0.011494459824779629
Energy: 0.1752309396524255
Energy: 0.17523093965127381
Energy: 0.011494459824779629
Energy: 0.17585388339162616
Energy: 0.011815380427654941
Energy: 0.5386870924859904
Energy: 0.17585388339162616
Energy: 0.011815380427654941
Energy: 0.5386870924859904
Energy: 0.17585388339162616
Energy: 0.011815380427654941
Energy: 0.5386870924859904
Energy: 0.17585388339162616
Energy: 0.5906663315988567
Energy: 0.09368981530395945
Energy: 0.25006470138878917
Energy: 0.5906663316000085
Energy: 0.34377766082308736
Energy: 0.012016652514217269
Energy: 0.5906663316000085
Energy: 0.10667002491813428
Energy: 0.012016652514217269
Energy: 0.5906663315977051

minimum gb energy = 0.01149445982362796 eV
minimum distance =  2.61805545378346 Angstroms
sigma value = 3


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

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Energy: 0.4536994559974324
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Energy: 0.42535891734964953
Energy: 0.5823198201791994
Energy: 0.6149285230874109
Energy: 0.42535891734880327
Energy: 0.5823198201859698

minimum gb energy = 0.4088823021853324 eV
minimum distance =  2.50387366318023 Angstroms
sigma value = 75


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

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minimum gb energy = 0.45092720290943034 eV
minimum distance =  2.49418557708173 Angstroms
sigma value = 105


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

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Energy: 0.5658228095537668
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Energy: 0.565822809554868
Energy: 0.5005106532769038
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Energy: 0.48675942831185043
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Energy: 0.546224791370153
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Energy: 0.5173735472449278
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Energy: 0.5279631055758964
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Energy: 0.5279631055769974
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Energy: 0.4799878594177097
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Energy: 0.5212491088999042
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Energy: 0.5371879222723023
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Energy: 0.5371879222726128
Energy: 0.5448020969059458
Energy: 0.5521038054630947
Energy: 0.5335914115014356
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Energy: 0.5525565918062619
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Energy: 0.5529124778883102
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Energy: 0.5182307633640165
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Energy: 0.5343439155287503
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Energy: 0.5343439155282985
Energy: 0.5089172843434374
Energy: 0.5424717648117814
Energy: 0.534343915526435
Energy: 0.5089172843435786
Energy: 0.5075256117070492
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Energy: 0.5249483591902917
Energy: 0.5075256117089129
Energy: 0.5252297083675085
Energy: 0.5249483591884282
Energy: 0.5075256117126399
Energy: 0.5252297083653346
Energy: 0.5249483591896706
Energy: 0.5075256117079812
Energy: 0.4986114835404666
Energy: 0.5169767358782653
Energy: 0.5122650410299392
Energy: 0.4986114835403254
Energy: 0.5170108560226027
Energy: 0.5122650410332144
Energy: 0.4986114835398454
Energy: 0.5169767358782653
Energy: 0.5122650410327343
Energy: 0.49861148353829254
Energy: 0.5406415787442294
Energy: 0.5188358424204271
Energy: 0.5703298581058235
Energy: 0.5406415787475046
Energy: 0.5185694434831049
Energy: 0.5703298581044399
Energy: 0.5406415787485774
Energy: 0.5188358424204271
Energy: 0.5703298581047505
Energy: 0.5406415787473352
Energy: 0.5202065827924954
Energy: 0.5183569407135101
Energy: 0.48171073015282106
Energy: 0.5202065827946695
Energy: 0.5183569407192417
Energy: 0.4817107301518893
Energy: 0.5202065827924954
Energy: 0.5183569407164464
Energy: 0.4817107301517482
Energy: 0.5202065827918744
Energy: 0.5183654446460312
Energy: 0.5410705656824465
Energy: 0.5129480239708941
Energy: 0.5183654446443089
Energy: 0.5411282397744267
Energy: 0.5129480239696519
Energy: 0.5183654446461724
Energy: 0.54107056568431
Energy: 0.5129480239699624
Energy: 0.5183654446464828
Energy: 0.5361823279739412
Energy: 0.536718395834166
Energy: 0.565441056858775
Energy: 0.536182327971146
Energy: 0.5366214107576072
Energy: 0.5654410568550479
Energy: 0.5361823279720777
Energy: 0.5367183958282932
Energy: 0.5654410568551891
Energy: 0.5361823279730095
Energy: 0.5355254160329407
Energy: 0.4862170403584152
Energy: 0.5255539855182458
Energy: 0.5355254160346348
Energy: 0.4862001951107411
Energy: 0.525553985518867
Energy: 0.535525416034183
Energy: 0.486217040359968
Energy: 0.5255539855181047
Energy: 0.5355254160321501

minimum gb energy = 0.4794217872234505 eV
minimum distance =  2.45494283164298 Angstroms
sigma value = 165


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

Energy: 0.46397857386554725
Energy: 0.5109144922689614
Energy: 0.5108051997920521
Energy: 0.4427154845682128
Energy: 0.5109144922668288
Energy: 0.5108051997909858
Energy: 0.4639785738634148
Energy: 0.5109144922678951
Energy: 0.5108051997899195
Energy: 0.442715484568746
Energy: 0.4762335255284984
Energy: 0.44339005970288636
Energy: 0.47900581676869824
Energy: 0.47623352552956466
Energy: 0.443390059701287
Energy: 0.47900581676763204
Energy: 0.4762335255279653
Energy: 0.44339005970395257
Energy: 0.47900581676869824
Energy: 0.4762335255279653
Energy: 0.4855632260212768
Energy: 0.48067230112337656
Energy: 0.4474784278047732
Energy: 0.4855632260212768
Energy: 0.48067230112337656
Energy: 0.44756010175884764
Energy: 0.4855632260202105
Energy: 0.4806723011244428
Energy: 0.44747842780264074
Energy: 0.485563226022343
Energy: 0.4937850773422147
Energy: 0.4497323573313369
Energy: 0.4489402837901999
Energy: 0.493785077343281
Energy: 0.4497323573302706
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Energy: 0.493785077343281
Energy: 0.4497323573286713
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Energy: 0.4937850773422147
Energy: 0.5058892229105956
Energy: 0.5091215426506431
Energy: 0.4819889093486506
Energy: 0.5058892229057975
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Energy: 0.48198890935025
Energy: 0.5058892229116618
Energy: 0.5091215426517094
Energy: 0.4819889093507831
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Energy: 0.5371584125992364
Energy: 0.49520413095359594
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Energy: 0.5012413303781449
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Energy: 0.5104810040483789
Energy: 0.5010824300908835
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Energy: 0.5104810040483789
Energy: 0.5012413303813436
Energy: 0.49520413095146354
Energy: 0.47582687152418895
Energy: 0.5068560567753987
Energy: 0.5099863298486413
Energy: 0.454423719650836
Energy: 0.5068560567737993
Energy: 0.5099863298481081
Energy: 0.4758268715263214
Energy: 0.5068560567721999
Energy: 0.5099863298481081
Energy: 0.45442371965563416
Energy: 0.5109963107495614
Energy: 0.4828122188441363
Energy: 0.5551264654320887
Energy: 0.48307919257857823
Energy: 0.48281221884306996
Energy: 0.5171243983109282
Energy: 0.5109963107458295
Energy: 0.4828122188436032
Energy: 0.5551264654320887
Energy: 0.48307919257644577
Energy: 0.506050196102394
Energy: 0.44922470134709175
Energy: 0.4497169287993411
Energy: 0.5060501961039933
Energy: 0.44922470134709175
Energy: 0.4497169287993411
Energy: 0.5060501961034602
Energy: 0.4492247013476248
Energy: 0.449716928798808
Energy: 0.5060501961018609
Energy: 0.5077808669022165
Energy: 0.4478535371871486
Energy: 0.5313322446329922
Energy: 0.5077808669011502
Energy: 0.4478535371871486
Energy: 0.5313322446366998
Energy: 0.5077808669011502
Energy: 0.44785353718821486
Energy: 0.5313322446340585
Energy: 0.5077808669016833
Energy: 0.5095369953504515
Energy: 0.5071143599595095
Energy: 0.4432840482373503
Energy: 0.5095369953488521
Energy: 0.507114359956844
Energy: 0.4432840482384166
Energy: 0.5095369953493852
Energy: 0.507114359957377
Energy: 0.4432840482389497
Energy: 0.5095369953504515
Energy: 0.4427154845682128
Energy: 0.5109144922700276
Energy: 0.5108051997883203
Energy: 0.4427154845682128
Energy: 0.5109144922668288
Energy: 0.5108051997883203
Energy: 0.4427154845682128
Energy: 0.5109144922678951
Energy: 0.5108051997893864
Energy: 0.4427154845682128

minimum gb energy = 0.4427154845682128 eV
minimum distance =  2.62915013364666 Angstroms
sigma value = 41


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

Energy: 0.477363754724656
Energy: 0.47252494142799545
Energy: 0.46147667101644296
Energy: 0.46273542024855013
Energy: 0.47252494142656637
Energy: 0.46147667102016626
Energy: 0.4773637547238285
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Energy: 0.46273542024836206
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Energy: 0.39060356070849345
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Energy: 0.5015583756705271
Energy: 0.39060356070394286
Energy: 0.4535228147763143
Energy: 0.501558375673423
Energy: 0.46839734898356394
Energy: 0.40156532729563915
Energy: 0.4023721739685951
Energy: 0.4346024935547734
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Energy: 0.4053207870650764
Energy: 0.43620398470304356
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Energy: 0.39932120080466615
Energy: 0.4360593976273252
Energy: 0.41105704589954667
Energy: 0.41068794218545446
Energy: 0.4042799260195482
Energy: 0.4110570459020288
Energy: 0.41068794218522886
Energy: 0.40431235965621937
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Energy: 0.4042799260129292
Energy: 0.41105704590221687
Energy: 0.4247136370230615
Energy: 0.4970322615919972
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Energy: 0.49703226158722097
Energy: 0.4062109065803823
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Energy: 0.45304192045773584
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Energy: 0.46101099980479593
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Energy: 0.4487941850439557
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Energy: 0.3963660848852526
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Energy: 0.3904950304043796
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Energy: 0.3979323195204249
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Energy: 0.40534100292826314
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Energy: 0.40534100292988023
Energy: 0.4339026145549077
Energy: 0.5101346940050377
Energy: 0.39872273687189375
Energy: 0.4339026145586309
Energy: 0.510134694005677
Energy: 0.39872273686651577
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Energy: 0.510134694008761
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Energy: 0.3999414849588066
Energy: 0.4056279044276051
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Energy: 0.3999414849573775
Energy: 0.4058303911668066
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Energy: 0.39994148496252985
Energy: 0.4056279044361046
Energy: 0.40579013696609423
Energy: 0.399941484960687
Energy: 0.3986075859484536
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Energy: 0.4113757654101685
Energy: 0.3986075859469868
Energy: 0.405143889253514
Energy: 0.4113757654053923
Energy: 0.3986075859457458
Energy: 0.40514537279967455
Energy: 0.4113757654066333
Energy: 0.39860758594781426
Energy: 0.49876825043721934
Energy: 0.4054493381931398
Energy: 0.4352911633516426
Energy: 0.4987682504401152
Energy: 0.405449098455684
Energy: 0.43529116335660695
Energy: 0.49876825044406403
Energy: 0.4054493381989315
Energy: 0.4352911633526957
Energy: 0.4987682504413563
Energy: 0.5018045771277069
Energy: 0.46122886640778377
Energy: 0.39749426210839406
Energy: 0.5018045771229305
Energy: 0.46122886640778377
Energy: 0.3974942621088078
Energy: 0.5018045771231562
Energy: 0.461228866411319
Energy: 0.3974942621079804
Energy: 0.501804577124811

minimum gb energy = 0.39032764612173915 eV
minimum distance =  2.57520813258542 Angstroms
sigma value = 185


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

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Energy: 0.23620509176756985
Energy: 0.23662086444271527
Energy: 0.24242204709905682
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Energy: 0.27784753734608747
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Energy: 0.37308488001312173
Energy: 0.3165843901992203
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Energy: 0.3730848800138583
Energy: 0.2264152727136609
Energy: 0.35497859927222714
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Energy: 0.29579158472639183
Energy: 0.31346636439840697
Energy: 0.23657105430777567
Energy: 0.22641527271857165
Energy: 0.354978599271245
Energy: 0.23657105430630238
Energy: 0.2957915847227088
Energy: 0.33533896118477036
Energy: 0.3095660935348986
Energy: 0.24570355549759926
Energy: 0.25411505786318855
Energy: 0.2537305025511845
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Energy: 0.3353389611901499
Energy: 0.30956609353612624
Energy: 0.24570355549759926
Energy: 0.2541150578675859
Energy: 0.33459960346011514
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Energy: 0.24652923681739575
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Energy: 0.24652923681494035
Energy: 0.33459960346183387
Energy: 0.3961897867553823
Energy: 0.2465292368164136
Energy: 0.3283354082819539

minimum gb energy = 0.2264152727136609 eV
minimum distance =  2.59642908941987 Angstroms
sigma value = 33


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

Energy: 0.39435633445999335
Energy: 0.43886838879950774
Energy: 0.43890376257557834
Energy: 0.3852475380118491
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Energy: 0.3595286529014929

minimum gb energy = 0.3449393750506729 eV
minimum distance =  2.50212949740966 Angstroms
sigma value = 219


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

Energy: 0.410623303515819
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Energy: 0.5046451259747835
Energy: 0.4786208693374526
Energy: 0.47943074186401924
Energy: 0.5046451259738914
Energy: 0.4786208693365605

minimum gb energy = 0.40581232802731343 eV
minimum distance =  2.63665757876982 Angstroms
sigma value = 15


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

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Energy: 0.5310079651588184
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minimum gb energy = 0.491348428369531 eV
minimum distance =  2.50355068052568 Angstroms
sigma value = 293


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

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Energy: 0.48747746636853145
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Energy: 0.5340209785391222
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Energy: 0.5844691820749526
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Energy: 0.5374104129334905
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Energy: 0.5374104129346994
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Energy: 0.5622337703480139
Energy: 0.522222519863521
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Energy: 0.5622337703498275
Energy: 0.5222225198627148
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Energy: 0.5622337703486184
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Energy: 0.6235427123178241
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Energy: 0.5193420553282803
Energy: 0.6235427123188316
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Energy: 0.5018929350281357
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Energy: 0.5967677854662293
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Energy: 0.536876408745567
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Energy: 0.5279776074271725
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Energy: 0.5279776074279784
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Energy: 0.5279776074285829
Energy: 0.5019325837284698
Energy: 0.519885711580666
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Energy: 0.5019325837262532
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Energy: 0.5198857115816734
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Energy: 0.5019325837246413
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Energy: 0.518290312297947
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Energy: 0.5622247577183659
Energy: 0.5258858099169894
Energy: 0.5222904820014471
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Energy: 0.5258858099147913
Energy: 0.5222904820044697
Energy: 0.5622247577197763
Energy: 0.5258858099153959
Energy: 0.5222904820042681
Energy: 0.5622247577177614
Energy: 0.5844658492622196
Energy: 0.5373790410457705
Energy: 0.5273186780562087
Energy: 0.5844658492610105
Energy: 0.5373790410473825
Energy: 0.5273186780558057
Energy: 0.584465849257585
Energy: 0.5373790410467779
Energy: 0.5273186780564103
Energy: 0.5844658492577864
Energy: 0.5253246326362049
Energy: 0.5186652230242761
Energy: 0.53415932781752
Energy: 0.5253246326372123
Energy: 0.5186652230214551
Energy: 0.5341593278201396
Energy: 0.5253246326362049
Energy: 0.5186652230216565
Energy: 0.5341593278197365
Energy: 0.5253246326362049
Energy: 0.530518319580102
Energy: 0.48760717096253536
Energy: 0.4874774663751811
Energy: 0.5305183195792961
Energy: 0.4876071709593114
Energy: 0.487477466373166
Energy: 0.530518319580102
Energy: 0.4876071709637444
Energy: 0.4874774663733675
Energy: 0.5305183195786914
Energy: 0.5249966335741213
Energy: 0.534020978537327
Energy: 0.518508068613351
Energy: 0.5249966335747258
Energy: 0.5340209785330955
Energy: 0.5185080686067015
Energy: 0.5249966335741213
Energy: 0.5340209785367225
Energy: 0.5185080686141571
Energy: 0.5249966335745243
Energy: 0.5844691820747512
Energy: 0.5273851364048042
Energy: 0.5374104129346994
Energy: 0.5844691820727361
Energy: 0.5273851364046027
Energy: 0.5374104129346994
Energy: 0.5844691820723331
Energy: 0.5273851364048042
Energy: 0.5374104129344979
Energy: 0.5844691820709227
Energy: 0.5622337703486184
Energy: 0.5222225198619089
Energy: 0.52587839634738
Energy: 0.5622337703508349
Energy: 0.522222519863521
Energy: 0.5258783963477831
Energy: 0.5622337703498275
Energy: 0.5222225198627148
Energy: 0.5258783963471786
Energy: 0.5622337703484169
Energy: 0.5193420553298922
Energy: 0.6235427123188316
Energy: 0.5183083990719342
Energy: 0.519342055328683
Energy: 0.6235427123186301
Energy: 0.5183083990721357
Energy: 0.5193420553282803
Energy: 0.6235427123190331
Energy: 0.5183083990711281
Energy: 0.5193420553274742

minimum gb energy = 0.48747746636752404 eV
minimum distance =  2.50696703600492 Angstroms
sigma value = 293


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

Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.5400074366871604
Energy: 0.5400571073704189
Energy: 0.48993082121942755
Energy: 0.5400074366900739
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.5400074366875246
Energy: 0.5400571073700546
Energy: 0.4897631755926594
Energy: 0.48963424181787857
Energy: 0.4672897976994219
Energy: 0.48976317559375204
Energy: 0.48963424181642184
Energy: 0.4672897977005145
Energy: 0.48976317559229526
Energy: 0.48963424181787857
Energy: 0.4672897977023354
Energy: 0.4897631755933878
Energy: 0.4686450900575124
Energy: 0.48963588729525426
Energy: 0.4897497309527391
Energy: 0.4686450900495168
Energy: 0.4896358872948901
Energy: 0.4897497309523749
Energy: 0.4686450900411404
Energy: 0.48963588729525426
Energy: 0.4897497309527391
Energy: 0.46864509004186883
Energy: 0.5400457713909109
Energy: 0.4899196446580894
Energy: 0.540051674107743
Energy: 0.5400457713916393
Energy: 0.4899196446588178
Energy: 0.540051674107743
Energy: 0.5400457713909109
Energy: 0.4899196446580894
Energy: 0.540051674107743
Energy: 0.5400457713916393
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48993082121942755
Energy: 0.5400074366900739
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.5400074366871604
Energy: 0.5400571073704189
Energy: 0.48993082121942755
Energy: 0.5400074366900739
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.48963424181642184
Energy: 0.4672897976983293
Energy: 0.4897631755926594
Energy: 0.48963424181787857
Energy: 0.46728979770197127
Energy: 0.48976317559375204
Energy: 0.48963424181642184
Energy: 0.467289797703428
Energy: 0.4897631755926594
Energy: 0.48963424181787857
Energy: 0.4896358872945259
Energy: 0.4897497309523749
Energy: 0.46864509004878846
Energy: 0.48963588729525426
Energy: 0.4897497309527391
Energy: 0.4686450900415047
Energy: 0.4896358872945259
Energy: 0.4897497309523749
Energy: 0.46864509003931953
Energy: 0.48963588729525426
Energy: 0.4899196446588178
Energy: 0.540051674107743
Energy: 0.5400457713909109
Energy: 0.48991964465845356
Energy: 0.540051674107743
Energy: 0.5400457713916393
Energy: 0.489919644659182
Energy: 0.540051674107743
Energy: 0.5400457713909109
Energy: 0.4899196446580894
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.5400074366871604
Energy: 0.5400571073704189
Energy: 0.48993082121942755
Energy: 0.5400074366900739
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.5400074366871604
Energy: 0.5400571073704189
Energy: 0.48993082121942755
Energy: 0.5400074366900739
Energy: 0.46728979769905765
Energy: 0.48976317559375204
Energy: 0.48963424181642184
Energy: 0.4672897977023354
Energy: 0.4897631755926594
Energy: 0.48963424181787857
Energy: 0.467289797701607
Energy: 0.48976317559375204
Energy: 0.48963424181642184
Energy: 0.4672897976994219
Energy: 0.4897497309527391
Energy: 0.46864509004514654
Energy: 0.4896358872945259
Energy: 0.4897497309523749
Energy: 0.4686450900415047
Energy: 0.48963588729525426
Energy: 0.4897497309527391
Energy: 0.46864509003749855
Energy: 0.4896358872948901
Energy: 0.4897497309523749
Energy: 0.540051674107743
Energy: 0.5400457713916393
Energy: 0.4899196446588178
Energy: 0.540051674107743
Energy: 0.5400457713912751
Energy: 0.4899196446580894
Energy: 0.5400516741081073
Energy: 0.5400457713920034
Energy: 0.4899196446588178
Energy: 0.540051674107743
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.5400074366871604
Energy: 0.5400571073704189
Energy: 0.48993082121942755
Energy: 0.5400074366897097
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.5400074366875246
Energy: 0.5400571073700546
Energy: 0.4897631755926594
Energy: 0.48963424181787857
Energy: 0.46728979770197127
Energy: 0.48976317559375204
Energy: 0.48963424181642184
Energy: 0.46728979770197127
Energy: 0.4897631755926594
Energy: 0.48963424181787857
Energy: 0.4672897977005145
Energy: 0.4897631755933878
Energy: 0.4686450900447824
Energy: 0.48963588729525426
Energy: 0.4897497309527391
Energy: 0.46864509004186883
Energy: 0.4896358872948901
Energy: 0.4897497309523749
Energy: 0.46864509003786275
Energy: 0.48963588729525426
Energy: 0.4897497309527391
Energy: 0.46864509004077626
Energy: 0.5400457713909109
Energy: 0.4899196446580894
Energy: 0.5400516741081073
Energy: 0.5400457713916393
Energy: 0.4899196446588178
Energy: 0.5400516741081073
Energy: 0.5400457713909109
Energy: 0.4899196446580894
Energy: 0.5400516741081073
Energy: 0.5400457713920034
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48991364034933754
Energy: 0.48962080357538557
Energy: 0.4899952909647988
Energy: 0.48991364035043017
Energy: 0.48962080357429305
Energy: 0.48999529096625555
Energy: 0.48993082121942755
Energy: 0.5400074366900739
Energy: 0.5400571073700546
Energy: 0.4899308212190634
Energy: 0.5400074366871604
Energy: 0.5400571073704189
Energy: 0.48993082121942755
Energy: 0.5400074366900739
Energy: 0.5400571073700546
Energy: 0.4899308212190634

minimum gb energy = 0.4672897976983293 eV
minimum distance =  2.59853936073719 Angstroms
sigma value = 15


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

Energy: 0.5398359371779234
Energy: 0.5924875485692426
Energy: 0.5536588203318462
Energy: 0.5333547188375437
Energy: 0.5924875485609882
Energy: 0.553658820333497
Energy: 0.5398359371812251
Energy: 0.5924875485593374
Energy: 0.5536588203252428
Energy: 0.5333547188375437
Energy: 0.5686873235333024
Energy: 0.5130168635941995
Energy: 0.5690949160218243
Energy: 0.5686873235316515
Energy: 0.513016863600803
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Energy: 0.5130168635991521
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Energy: 0.5686873235333024
Energy: 0.5242253035601194
Energy: 0.5322971036997355
Energy: 0.5919622897635572
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Energy: 0.5322971037013864
Energy: 0.591962289766859
Energy: 0.5242253035617702
Energy: 0.5322971037030372
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Energy: 0.5242253035650719
Energy: 0.4992548648857977
Energy: 0.533136532144569
Energy: 0.49739495589831034
Energy: 0.49925486488414683
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Energy: 0.5749780668298472
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Energy: 0.5229454103172425
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Energy: 0.5281691867670533
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Energy: 0.49822525612327234
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Energy: 0.5281691867621006
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Energy: 0.5281691867654024
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Energy: 0.5396705802533021
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Energy: 0.574378585938232
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Energy: 0.5686233408929774
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Energy: 0.5508551422882302
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Energy: 0.5461333415962127
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Energy: 0.5461333415994845
Energy: 0.5539603505663883
Energy: 0.49846802206455043
Energy: 0.5993560558486815
Energy: 0.5539603505647374
Energy: 0.49846850603082293
Energy: 0.5993560558519833
Energy: 0.5539603505630866
Energy: 0.4984680220628996
Energy: 0.5993560558486815
Energy: 0.5539603505614357
Energy: 0.5445969389454924
Energy: 0.49835990527837126
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Energy: 0.5348670597593322
Energy: 0.544596938937238
Energy: 0.4983599052734186
Energy: 0.534867059764285
Energy: 0.54459693894054
Energy: 0.49831127389762825
Energy: 0.498233876762234
Energy: 0.6144086955922672
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Energy: 0.5778874899551464
Energy: 0.5074824966544145
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Energy: 0.5778874899534955
Energy: 0.5074833153191021
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Energy: 0.5778874899584481
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Energy: 0.5051721770477234
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Energy: 0.564776207014985
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Energy: 0.550570241241581
Energy: 0.5647762070199377
Energy: 0.5051721770411199
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Energy: 0.522276478875868
Energy: 0.5885924839864118
Energy: 0.5466217167726245
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Energy: 0.5222764788841224
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Energy: 0.5466217167742753
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Energy: 0.5288121796416198
Energy: 0.5705284447024928
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Energy: 0.5288121796432707
Energy: 0.5705284446942384
Energy: 0.5694626438008421
Energy: 0.5288121796482231
Energy: 0.5705284446991911
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Energy: 0.523507920522683
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Energy: 0.5625385368991409
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Energy: 0.5189843785286791
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Energy: 0.5078366792559108
Energy: 0.5189843785286791
Energy: 0.5625385369007917
Energy: 0.5078366792592125
Energy: 0.5189843785270283
Energy: 0.5625385368991409
Energy: 0.5228596733081545
Energy: 0.5141813501718748
Energy: 0.5712444290593129
Energy: 0.5228596733098053
Energy: 0.5141813501784783
Energy: 0.571244429057662
Energy: 0.5228596733032019
Energy: 0.5141813501784783
Energy: 0.5712444290560112
Energy: 0.5228596733032019
Energy: 0.573609100139562
Energy: 0.6295184792478163
Energy: 0.49838570938656285
Energy: 0.5736091001362604
Energy: 0.6295184792461656
Energy: 0.49838570938821375
Energy: 0.5736091001362604
Energy: 0.6295184792461656
Energy: 0.49838570938161025
Energy: 0.5736091001329586
Energy: 0.5358359722796012
Energy: 0.5329130080382144
Energy: 0.5292908289236534
Energy: 0.5358387498304545
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Energy: 0.5292908289286061
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Energy: 0.5358387498304545
Energy: 0.5010246937375087
Energy: 0.5547118580098445
Energy: 0.507625745596159
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Energy: 0.5010246937391596
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Energy: 0.6189177283681094
Energy: 0.561515689543241
Energy: 0.509400984474412
Energy: 0.618917728373062
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Energy: 0.6189177283747129
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Energy: 0.5094009844727612
Energy: 0.56351162333111
Energy: 0.501099602070342
Energy: 0.535197203396998
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Energy: 0.5010996020719928
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Energy: 0.5670855449235684
Energy: 0.5999760906386661
Energy: 0.5713641561767491
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Energy: 0.5999760906403169
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Energy: 0.5196104464347555
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Energy: 0.5324743895895283
Energy: 0.49826957403651045
Energy: 0.5564604655305877
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Energy: 0.49826957403816136
Energy: 0.5564604655355403
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Energy: 0.556460465540493
Energy: 0.5324743895911792
Energy: 0.5739470563004544
Energy: 0.5556814364157587
Energy: 0.506826602231728
Energy: 0.5739470562971526
Energy: 0.5556814364157587
Energy: 0.506834814815562
Energy: 0.5739470563004544
Energy: 0.5556814364174095
Energy: 0.5068266022267754
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Energy: 0.5490668032207885
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Energy: 0.5616656670249726
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Energy: 0.5216083179756466
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Energy: 0.5406994560427733
Energy: 0.5667444165836498
Energy: 0.5572444583061419
Energy: 0.5342512328716271
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Energy: 0.5557630110565516
Energy: 0.5406994560411225
Energy: 0.5667444165902533
Energy: 0.5572444583028401
Energy: 0.534251232873278
Energy: 0.5022180067773319
Energy: 0.6292876231749862
Energy: 0.5797267433652405
Energy: 0.5022180067757109
Energy: 0.629287623176637
Energy: 0.5797267433635898
Energy: 0.5022180067773319
Energy: 0.6292876231749862
Energy: 0.5797267433652405
Energy: 0.5022180067724092
Energy: 0.6181897252335289
Energy: 0.5065385939817918
Energy: 0.5950982282483565
Energy: 0.6181897252335289
Energy: 0.5065385939801409
Energy: 0.5950982282467056
Energy: 0.6181897252252745
Energy: 0.50653859397849
Energy: 0.5950982282401021
Energy: 0.6181897252285763
Energy: 0.5725573712811156
Energy: 0.5608114883249232
Energy: 0.4988146807163606
Energy: 0.572557371276163
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Energy: 0.5725573712794647
Energy: 0.560811488326574
Energy: 0.4988146807163606
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Energy: 0.5971643384490832
Energy: 0.5467964504414256
Energy: 0.4984076300942928
Energy: 0.5971643384507341
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Energy: 0.5971643384540358
Energy: 0.5467964504447272
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Energy: 0.5971643384490832
Energy: 0.5535334263567555
Energy: 0.5607444364335217
Energy: 0.5272077369654088
Energy: 0.5535334263600573
Energy: 0.5607444364400951
Energy: 0.5272077369588053
Energy: 0.5535334263567555
Energy: 0.5607444364384742
Energy: 0.5272077369621071
Energy: 0.5535334263567555
Energy: 0.5979446653563901
Energy: 0.5342169655856461
Energy: 0.5079159467493766
Energy: 0.5979446653596918
Energy: 0.5342169655872969
Energy: 0.5079159467493766
Energy: 0.5979446653629936
Energy: 0.5342169655939003
Energy: 0.5079159467510276
Energy: 0.597944665358041
Energy: 0.5102906018408719
Energy: 0.5445870956791856
Energy: 0.5462113995015145
Energy: 0.510290601839221
Energy: 0.5445870956758839
Energy: 0.5462113995015145
Energy: 0.5102906018425227
Energy: 0.5445870956808365
Energy: 0.5462113995031654
Energy: 0.5102906018425227
Energy: 0.5639887260631954
Energy: 0.5311133087609029
Energy: 0.5217460997338278
Energy: 0.5639887260516392
Energy: 0.531113308759252
Energy: 0.5217460997354788
Energy: 0.5639887260499884
Energy: 0.5311133087609029
Energy: 0.5217460997338278
Energy: 0.5639887260582428
Energy: 0.5800991924121773
Energy: 0.5021216894627966
Energy: 0.602830828924272
Energy: 0.5800991924105264
Energy: 0.502121689457844
Energy: 0.6028308289209703
Energy: 0.5800991924105264
Energy: 0.502121689457844
Energy: 0.6028308289226211
Energy: 0.5800991924121773
Energy: 0.5385663949577958
Energy: 0.5821448210212956
Energy: 0.532703392873838
Energy: 0.5385663949643991
Energy: 0.5821448210179937
Energy: 0.5327033928705365
Energy: 0.5385663949660501
Energy: 0.5821448210163429
Energy: 0.5327033928754891
Energy: 0.5385663949643991
Energy: 0.5468828560003888
Energy: 0.4987085278760754
Energy: 0.5905277514850021
Energy: 0.5468828560036905
Energy: 0.4987085529003736
Energy: 0.5905277514817004
Energy: 0.5468828560036905
Energy: 0.4987085278744245
Energy: 0.5905277514800497
Energy: 0.5468828560020396
Energy: 0.5329453888056928
Energy: 0.5049940256604764
Energy: 0.5641786349589882
Energy: 0.5329453888056928
Energy: 0.5049940256670798
Energy: 0.5641786349573374
Energy: 0.5329453888056928
Energy: 0.5049940256687308
Energy: 0.5641786349556865
Energy: 0.5329453888073435
Energy: 0.5536833453518574
Energy: 0.5288490992267549
Energy: 0.5082789488723501
Energy: 0.5536833453485556
Energy: 0.528849099228406
Energy: 0.5082783888249536
Energy: 0.5536833453452539
Energy: 0.5288490992267549
Energy: 0.5082789488690485
Energy: 0.5536833453485556
Energy: 0.5082893122281892
Energy: 0.5131115487079742
Energy: 0.5183513747941235
Energy: 0.5082893122281892
Energy: 0.5131115487112758
Energy: 0.5183513747974251
Energy: 0.5082893122281892
Energy: 0.5131115487079742
Energy: 0.5183513747957743
Energy: 0.5082893122265384
Energy: 0.5190579375610713
Energy: 0.5611646906892694
Energy: 0.5650910973578508
Energy: 0.5190576597757692
Energy: 0.5611646906843167
Energy: 0.5650910973562
Energy: 0.5190579375627223
Energy: 0.5611646906876185
Energy: 0.5650910973562
Energy: 0.5190576597741184

minimum gb energy = 0.49739495589831034 eV
minimum distance =  2.49454148437837 Angstroms
sigma value = 437


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

Energy: 0.5017076061493131
Energy: 0.5115564032056169
Energy: 0.5115905391799435
Energy: 0.5017076061475088
Energy: 0.5115564032056169
Energy: 0.5115905391811463
Energy: 0.5017076061499145
Energy: 0.5115564032050155
Energy: 0.5115905391799435
Energy: 0.5017076061475088
Energy: 0.5386021733090841
Energy: 0.49167925962155434
Energy: 0.5443321165000583
Energy: 0.5386021733042726
Energy: 0.4916792596203514
Energy: 0.544332116499457
Energy: 0.5386021733054756
Energy: 0.4916792596209529
Energy: 0.5443321165000583
Energy: 0.538602173304874
Energy: 0.5646893248904085
Energy: 0.48650059600821455
Energy: 0.6056917955642962
Energy: 0.5646893248928142
Energy: 0.4865005960094175
Energy: 0.6056917955654991
Energy: 0.5646893248904085
Energy: 0.48650059600821455
Energy: 0.6252105562341467
Energy: 0.5646893248928142
Energy: 0.5434153211082423
Energy: 0.5822486254113745
Energy: 0.532110545373371
Energy: 0.5434153211088437
Energy: 0.5822486254149558
Energy: 0.5321105453721682
Energy: 0.5434153211082423
Energy: 0.5822486254113745
Energy: 0.532110545373371
Energy: 0.5434153211088437
Energy: 0.514999675887777
Energy: 0.4995758609568894
Energy: 0.624007301833884
Energy: 0.5149996758859727
Energy: 0.4995758609586937
Energy: 0.6240073018320796
Energy: 0.514999675887777
Energy: 0.4995758609568894
Energy: 0.624007301833884
Energy: 0.5149996758853712
Energy: 0.5448548304812857
Energy: 0.5576984651314925
Energy: 0.4927814726602691
Energy: 0.5448548304818871
Energy: 0.5576984651320939
Energy: 0.4927814726632763
Energy: 0.5448548304812857
Energy: 0.5576984651326954
Energy: 0.4927814726602691
Energy: 0.5448548304824885
Energy: 0.5220536932718733
Energy: 0.5244612387760842
Energy: 0.4865887770867125
Energy: 0.5059661374780156
Energy: 0.5244612387760842
Energy: 0.4865887770849081
Energy: 0.5059661374804214
Energy: 0.5065656184149505
Energy: 0.4865887770867125
Energy: 0.505966137478617
Energy: 0.5302598308038747
Energy: 0.5584634141636315
Energy: 0.5301322202262475
Energy: 0.5302598308050775
Energy: 0.558463414164233
Energy: 0.5301322202256461
Energy: 0.5302598308038747
Energy: 0.5584634141636315
Energy: 0.5301322202262475
Energy: 0.5302598308050775
Energy: 0.6744694544161943
Energy: 0.5443359986451904
Energy: 0.4999795926163196
Energy: 0.6744694544131872
Energy: 0.5443359986451904
Energy: 0.49997959261571806
Energy: 0.6744694544161943
Energy: 0.5443359986451904
Energy: 0.4999795926163196
Energy: 0.6744694544131872
Energy: 0.5325103229320766
Energy: 0.5466765505689665
Energy: 0.5663699558553486
Energy: 0.532510322933881
Energy: 0.5466765505665606
Energy: 0.5663699558938134
Energy: 0.5325103229320766
Energy: 0.5466765505701694
Energy: 0.5663699558565516
Energy: 0.532510322933881
Energy: 0.5307070916903335
Energy: 0.5307866355742915
Energy: 0.5505881778629312
Energy: 0.5307070916903335
Energy: 0.5307866355736901
Energy: 0.5100325087329015
Energy: 0.530707091690935
Energy: 0.5307866355742915
Energy: 0.5100325087323
Energy: 0.5307070916915364
Energy: 0.5476971287252722
Energy: 0.4948219867921243
Energy: 0.5537296938292307
Energy: 0.5476971287258736
Energy: 0.49482198679513156
Energy: 0.5537296938286292
Energy: 0.5476971287258736
Energy: 0.4948219867915229
Energy: 0.5537296938292307
Energy: 0.5476971287258736
Energy: 0.4959809531479534
Energy: 0.5766613998953148
Energy: 0.49966105786946496
Energy: 0.49598095314735197
Energy: 0.5766613998911049
Energy: 0.49966105786826204
Energy: 0.49598095314855484
Energy: 0.5766613998929092
Energy: 0.49966105786946496
Energy: 0.4959809531479534
Energy: 0.5018924057362594
Energy: 0.5094502222374381
Energy: 0.5289893833381207
Energy: 0.5018924057368608
Energy: 0.5094502222380394
Energy: 0.5289893833387221
Energy: 0.5018924057362594
Energy: 0.5094502222374381
Energy: 0.5289893833375193
Energy: 0.5018924057368608

minimum gb energy = 0.48650059600821455 eV
minimum distance =  2.53517509770256 Angstroms
sigma value = 33