Model name: model_name=EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999861717225
cohesive_energy=4.450349981660022
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.0 eV

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

Energy: 0.022239874008041928
Energy: 0.6266343200479536
Energy: 0.966778252112408
Energy: 0.6266118440745688
Energy: 0.022239874008041928
Energy: 0.6266343200505943
Energy: 0.629374325899759
Energy: 0.628674768048085
Energy: 0.02258833018399739
Energy: 0.3598833625228547
Energy: 0.02255672386641647
Energy: 0.6286747680507255
Energy: 0.02258833018927872
Energy: 0.35988336252021397
Energy: 0.022239874010682593
Energy: 0.626634320045313
Energy: 0.966778252112408
Energy: 0.6266118440745688
Energy: 0.022239874008041928
Energy: 0.626634320053235
Energy: 0.629374325899759
Energy: 0.6286747680507255
Energy: 0.022588330186638056
Energy: 0.3598833625228547
Energy: 0.02255672386641647
Energy: 0.6286747680507255
Energy: 0.02258833018927872
Energy: 0.35988336252021397
Energy: 0.022239874010682593
Energy: 0.626634320045313
Energy: 0.966778252112408
Energy: 0.6266118440745688
Energy: 0.022239874008041928
Energy: 0.6266343200505943
Energy: 0.629374325899759
Energy: 0.6286747680507255
Energy: 0.02258833018399739
Energy: 0.3598833625228547
Energy: 0.02255672386641647
Energy: 0.6286747680507255
Energy: 0.02258833018927872
Energy: 0.3598833625228547

minimum gb energy = 0.022239874008041928 eV
minimum distance =  2.47016266784126 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.5594040009461207
Energy: 1.5158029896044076
Energy: 1.5216631498218187
Energy: 1.5354705729024214
Energy: 1.5594040009396686
Energy: 1.5158029896269902
Energy: 1.5216631498218187
Energy: 1.455238652576002
Energy: 1.4607613688047065
Energy: 1.4931793757977017
Energy: 1.485609947230059
Energy: 1.455238652582454
Energy: 1.4607613688208372
Energy: 1.4931793757815712
Energy: 1.4439241636174305
Energy: 1.4766802615406265
Energy: 1.5214571903849552
Energy: 1.4813395857877178
Energy: 1.4439241636367868
Energy: 1.4766802615406265
Energy: 1.5214571903946335
Energy: 1.561212220994653
Energy: 1.477240693746023
Energy: 1.5591732685812898
Energy: 1.4687660763799522
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Energy: 1.477240693752475
Energy: 1.5591732685812898
Energy: 1.454286610669424
Energy: 1.44339397160962
Energy: 1.5538421098711246
Energy: 1.4316636143785613
Energy: 1.454286610669424
Energy: 1.4433939716063942
Energy: 1.5420920152585909
Energy: 1.5035955051989212
Energy: 1.4587842675381462
Energy: 1.5349273662111609
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Energy: 1.4426064834869925
Energy: 1.46368213659684
Energy: 1.4961914725960066
Energy: 1.489771890553092
Energy: 1.4426064834966708
Energy: 1.463682136593614
Energy: 1.496191472608911
Energy: 1.4466228492274988
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Energy: 1.4848357314219502
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Energy: 1.459405236619784
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Energy: 1.4594052366036534
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Energy: 1.4850324546927245
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Energy: 1.5161115065206516
Energy: 1.4685504108968503
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Energy: 1.4545884121670407
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Energy: 1.487574090026533
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Energy: 1.4986296973625561
Energy: 1.4861655144640014
Energy: 1.4475617725303822
Energy: 1.4728853410248952
Energy: 1.4986296973399738
Energy: 1.443312336900518
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Energy: 1.4997855502208615
Energy: 1.4901672578908858
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Energy: 1.4997855502337658
Energy: 1.4576043188792627
Energy: 1.4916251902125957
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Energy: 1.5104506202372596
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Energy: 1.4916251902287259
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Energy: 1.4562036961139928
Energy: 1.487260921826926
Energy: 1.4500939379211775
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Energy: 1.4562036961075406
Energy: 1.487260921826926
Energy: 1.5078615483014013
Energy: 1.5166374946444772
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Energy: 1.5078615483368296
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Energy: 1.5143251637436184
Energy: 1.4651521904550575
Energy: 1.4858098219639309
Energy: 1.4383637107171359
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Energy: 1.4858098219864548
Energy: 1.4599823105358292
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Energy: 1.486334184522721
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Energy: 1.5245418945200406
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Energy: 1.5038191950930997
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Energy: 1.4602609387668084
Energy: 1.4791287368091004
Energy: 1.509282567895474
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Energy: 1.479128736796196
Energy: 1.509282567895474
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Energy: 1.455091796509469
Energy: 1.5073842076891686
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Energy: 1.470526842099917
Energy: 1.4550917964868864
Energy: 1.5073842076891686
Energy: 1.4351152278273251
Energy: 1.448286068576862
Energy: 1.4902946768994996
Energy: 1.4490265222922654
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Energy: 1.4482860685962184
Energy: 1.4902946769027259
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Energy: 1.464258872605376
Energy: 1.525103294151645
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Energy: 1.5251032941710012
Energy: 1.433048907358144
Energy: 1.4752363035146447
Energy: 1.4835117964887732
Energy: 1.4697149469028832
Energy: 1.4330489073484658
Energy: 1.4752363035340013
Energy: 1.4835117965016773
Energy: 1.4788051864405274
Energy: 1.457871961621616
Energy: 1.5626196079733836
Energy: 1.4334693357556747
Energy: 1.4788051864631095
Energy: 1.457871961621616
Energy: 1.5626196079797772
Energy: 1.534294109586583
Energy: 1.4862418901671184
Energy: 1.4771066785328992
Energy: 1.4849044458093075
Energy: 1.5342941095994873
Energy: 1.48624189015744
Energy: 1.4771066785458036
Energy: 1.5179645019728616
Energy: 1.4598600125180434
Energy: 1.4654716160448422
Energy: 1.4748552600971714
Energy: 1.5179645019696357
Energy: 1.459860012505139
Energy: 1.4654716160254855
Energy: 1.499741571145317
Energy: 1.489043803125969
Energy: 1.5569167123665375
Energy: 1.5193180818494707
Energy: 1.4997415711711262
Energy: 1.489043803125969
Energy: 1.556916712350407
Energy: 1.5172009928532084
Energy: 1.4794629500211074
Energy: 1.4612955422361573
Energy: 1.4657467500057295
Energy: 1.5172009928467562
Energy: 1.4794629500114294
Energy: 1.4612955422104075
Energy: 1.568270280377196
Energy: 1.510991915161384
Energy: 1.4838969906267496
Energy: 1.537412552226
Energy: 1.568270280377196
Energy: 1.510991915171062
Energy: 1.483896990623524
Energy: 1.5203177479103227
Energy: 1.44575609339041
Energy: 1.528648900578154
Energy: 1.4529231649275411
Energy: 1.5203177479135488
Energy: 1.4457560933775055
Energy: 1.5286489005684756
Energy: 1.4192095903727215
Energy: 1.4697571267562102
Energy: 1.5567069286428434
Energy: 1.4728184527385602
Energy: 1.4192095903856259
Energy: 1.4697571267626623
Energy: 1.5567069286653674
Energy: 1.4541656019762885
Energy: 1.5228957604504618
Energy: 1.5315787638634537
Energy: 1.5168039571121306
Energy: 1.4541656019956453
Energy: 1.5228957604472357
Energy: 1.5315787638473233
Energy: 1.4229343830879475
Energy: 1.4576706086228903
Energy: 1.4815536944186445
Energy: 1.4518667836485468
Energy: 1.4229343830685912
Energy: 1.4576706086228903
Energy: 1.4815536944250967

minimum gb energy = 1.4192095903727215 eV
minimum distance =  2.22501752145959 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.5213036871908288
Energy: 1.5060396246830183
Energy: 1.5203610793273916
Energy: 1.4955527929310606
Energy: 1.5213036871835715
Energy: 1.5060396246830183
Energy: 1.5401613586253837
Energy: 1.4451399326461367
Energy: 1.4600131959183993
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Energy: 1.475501855319525
Energy: 1.445139932649799
Energy: 1.4600131959220612
Energy: 1.539782727074098
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Energy: 1.4730886888827008
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Energy: 1.4755062333918907
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Energy: 1.6013298087142323
Energy: 1.4607098908536482
Energy: 1.4755062334102003
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Energy: 1.6013298087288803
Energy: 1.4756469364602958
Energy: 1.473251928769246
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Energy: 1.4756469364639575
Energy: 1.473251928772908
Energy: 1.5342436458243163
Energy: 1.4337491558080888
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Energy: 1.4724307964956365
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Energy: 1.5851234003536074
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Energy: 1.590418281764292
Energy: 1.4853297805729577
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Energy: 1.4796572266038146
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Energy: 1.5213036871944907
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Energy: 1.4600131959293852
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Energy: 1.5088642772022762
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Energy: 1.4607098908536482
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Energy: 1.4756469364602958
Energy: 1.473251928772908
Energy: 1.5342436458316402
Energy: 1.4608426770292742
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Energy: 1.47325192877657
Energy: 1.5342436458243163
Energy: 1.4337491558117508
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Energy: 1.460429124128904
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Energy: 1.4337491557898456
Energy: 1.4744762776057094
Energy: 1.460429124128904
Energy: 1.423820122292407
Energy: 1.4991214233299148
Energy: 1.4639188231376232
Energy: 1.4580540523385457
Energy: 1.4238201222960687
Energy: 1.4991214233482244
Energy: 1.4639188231412852
Energy: 1.4239294612778142
Energy: 1.4491806817179789
Energy: 1.5414691021344318
Energy: 1.4886579270267812
Energy: 1.4239294612888
Energy: 1.4491806817253028
Energy: 1.541469102145418
Energy: 1.4344003054993346
Energy: 1.460309960806066
Energy: 1.5351430313432912
Energy: 1.4753808673087514
Energy: 1.4344003055066583
Energy: 1.4603099607950802
Energy: 1.535143031350615
Energy: 1.4760599358240258
Energy: 1.5002097911143393
Energy: 1.5840418505936325
Energy: 1.4568669502213207
Energy: 1.476059935838674
Energy: 1.500209791099758
Energy: 1.5231326669092384
Energy: 1.4755376986753461
Energy: 1.5202288856838373
Energy: 1.5696456684752071
Energy: 1.4587896141131145
Energy: 1.4755376986936557
Energy: 1.5202288856691895
Energy: 1.5696456684752071
Energy: 1.4327136898441526
Energy: 1.4796572266038146
Energy: 1.5677496752978903
Energy: 1.4853297805766197
Energy: 1.4327136898514765
Energy: 1.4796572266038146
Energy: 1.567749675305214
Energy: 1.4568307512173964
Energy: 1.468340487640558
Energy: 1.6086251482656186
Energy: 1.469472580099005
Energy: 1.4568307512137344
Energy: 1.468340487633234
Energy: 1.5745017280685478
Energy: 1.4710443528824422
Energy: 1.5060396246793564
Energy: 1.4831869202856864
Energy: 1.4955527929347225
Energy: 1.4710443528896995
Energy: 1.5060396246830183
Energy: 1.4831869202893486
Energy: 1.4451399326461367
Energy: 1.4600131959220612
Energy: 1.5070244089164915
Energy: 1.4714552171955853
Energy: 1.445139932649799
Energy: 1.4600131959257232
Energy: 1.5070244089055722

minimum gb energy = 1.4238201222887448 eV
minimum distance =  2.23106462417215 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.5509209952626624
Energy: 1.4824314334516933
Energy: 1.6305663565842692
Energy: 1.4833369157693077
Energy: 1.5509209952622394
Energy: 1.482431433447465
Energy: 1.5978023664511949
Energy: 1.531678244136555
Energy: 1.5182219482863872
Energy: 1.5235168256205769
Energy: 1.482958183641043
Energy: 1.5316782441348638
Energy: 1.5182219482766615
Energy: 1.5235168256180396
Energy: 1.4781233545129953
Energy: 1.5366171278448375
Energy: 1.6191774124537481
Energy: 1.506347513852772
Energy: 1.4781233545121497
Energy: 1.5366171278461063
Energy: 1.6325600767617432
Energy: 1.4830852844356435
Energy: 1.4848252235549801
Energy: 1.559836422557484
Energy: 1.471311599411165
Energy: 1.483085284436066
Energy: 1.484825223551597
Energy: 1.5598364225604437
Energy: 1.524723891739297
Energy: 1.494232533168698
Energy: 1.5340888547116482
Energy: 1.505101041448591
Energy: 1.5247238917414112
Energy: 1.4942325331644697
Energy: 1.6007200965356974
Energy: 1.4793111930119693
Energy: 1.4621601508543032
Energy: 1.537527244049809
Energy: 1.5070158619510063
Energy: 1.4793111930064726
Energy: 1.4621601508466917
Energy: 1.5375272440417749
Energy: 1.4782449238806217
Energy: 1.5119491600506407
Energy: 1.5109679906241436
Energy: 1.5096428774844608
Energy: 1.4782449238785074
Energy: 1.5119491600468353
Energy: 1.5129816493710841
Energy: 1.4793573346202749
Energy: 1.4932090972859613
Energy: 1.59501868761567
Energy: 1.4871441117709012
Energy: 1.4793573346266178
Energy: 1.4932090972876526
Energy: 1.5950186876114414
Energy: 1.4794742895989916
Energy: 1.4846617520268242
Energy: 1.5706791455091886
Energy: 1.5033111483614061
Energy: 1.479474289587998
Energy: 1.4846617520204812
Energy: 1.5675995870652495
Energy: 1.4818620099205488
Energy: 1.5089813359178568
Energy: 1.5969079048435149
Energy: 1.489034949658056
Energy: 1.4818620099163204
Energy: 1.5089813359170108
Energy: 1.596907904846898
Energy: 1.560487228547789
Energy: 1.4715657068751233
Energy: 1.5384419125853401
Energy: 1.4632035707548212
Energy: 1.5604872285515947
Energy: 1.4715657068814276
Energy: 1.5384419125853401
Energy: 1.5361803876108007
Energy: 1.5186241746513707
Energy: 1.5389576622554388
Energy: 1.5230017287193363
Energy: 1.5361803876116464
Energy: 1.5186241746467197
Energy: 1.5389576622545933
Energy: 1.5108680502439913
Energy: 1.5168182863704416
Energy: 1.5762666319334744
Energy: 1.5016275490622204
Energy: 1.5108680502461056
Energy: 1.5168182863628308
Energy: 1.576266631939817
Energy: 1.490659919988286
Energy: 1.5164800196997013
Energy: 1.5363492895074184
Energy: 1.525162605621407
Energy: 1.4906599199878632
Energy: 1.5164800197013926
Energy: 1.536349289501076
Energy: 1.5460614769192451
Energy: 1.502953480019139
Energy: 1.5719853371214847
Energy: 1.4798979604190388
Energy: 1.5460614769213592
Energy: 1.5029534800174478
Energy: 1.5719853371214847
Energy: 1.5362223581509398
Energy: 1.5128947513945983
Energy: 1.5409875694649475
Energy: 1.5186387160474568
Energy: 1.536222358152631
Energy: 1.512894751386141
Energy: 1.5409875694679074
Energy: 1.545573111466444
Energy: 1.4636364851819674
Energy: 1.516122547595803
Energy: 1.525562990220867
Energy: 1.545573111466444
Energy: 1.4636364851849275
Energy: 1.5161225475962254
Energy: 1.482042486928469
Energy: 1.512389382220644
Energy: 1.5278796812669038
Energy: 1.5090806278622717
Energy: 1.4820424869369255
Energy: 1.5123893822193757
Energy: 1.5278796812652127
Energy: 1.4782822758158582
Energy: 1.4852067251222631
Energy: 1.563082593585556
Energy: 1.503105457610192
Energy: 1.4782822758213554
Energy: 1.4852067251243772
Energy: 1.5630825935893615
Energy: 1.479053300726694
Energy: 1.4851252655421388
Energy: 1.5143189114431974
Energy: 1.5037452906401916
Energy: 1.4790533007157
Energy: 1.485125265548059
Energy: 1.5143189114457345
Energy: 1.4782438692503344
Energy: 1.5094920715151516
Energy: 1.5516206398103625
Energy: 1.4888041588519725
Energy: 1.4782438692469513
Energy: 1.5094920715134603
Energy: 1.5516206398107852
Energy: 1.4831193539631677
Energy: 1.4621826311820683
Energy: 1.5420127440665177
Energy: 1.4621385360862906
Energy: 1.483119353960631
Energy: 1.4621826311837596
Energy: 1.5420127440686318
Energy: 1.5245851695021408
Energy: 1.5052033102940376
Energy: 1.4830499480511652
Energy: 1.4953508910379627
Energy: 1.5245851695046777
Energy: 1.5052033103041476
Energy: 1.4830499480490507
Energy: 1.4827787479120875
Energy: 1.516342188162379
Energy: 1.5978119778181015
Energy: 1.4847453563385862
Energy: 1.48277874791547
Energy: 1.5163421881695678
Energy: 1.5978119778227529
Energy: 1.4780412902134004
Energy: 1.5152013347082642
Energy: 1.5427650376964317
Energy: 1.5266168351047573
Energy: 1.4780412902159374
Energy: 1.515201334709533
Energy: 1.542765037691358
Energy: 1.5043991214828547
Energy: 1.4829801716925992
Energy: 1.5229207219151863
Energy: 1.4918553429082035
Energy: 1.5043991214832773
Energy: 1.482980171693022
Energy: 1.522920721913495
Energy: 1.5509185944671968
Energy: 1.4991340544078735
Energy: 1.5608766762569077
Energy: 1.4822777022477536
Energy: 1.55091859445874
Energy: 1.4991340544040679
Energy: 1.5608766762615593
Energy: 1.561589560732359
Energy: 1.5100446717160592
Energy: 1.5173258794374918
Energy: 1.526363971166717
Energy: 1.561589560730245
Energy: 1.5100446717169045
Energy: 1.517325879442566
Energy: 1.478286396976235
Energy: 1.5444088437368215
Energy: 1.602810870619757
Energy: 1.506007476921209
Energy: 1.4782863969791948
Energy: 1.5444088437321704
Energy: 1.6028108706176425
Energy: 1.4829743295052902
Energy: 1.4855506461729686
Energy: 1.5897130382150633
Energy: 1.5060071092746858
Energy: 1.4829743295044444
Energy: 1.4855506461725458
Energy: 1.5897130382214057
Energy: 1.5006329675622596
Energy: 1.4942421925638494
Energy: 1.5693919951586912
Energy: 1.5049092600310054
Energy: 1.5006329675669108
Energy: 1.4942421925591978
Energy: 1.5693919951561541
Energy: 1.4779730774004647
Energy: 1.4622282124122106
Energy: 1.5337666215287418
Energy: 1.5155307251934373
Energy: 1.4779730774034245
Energy: 1.4622282124097121
Energy: 1.5337666215329702
Energy: 1.498785323327101
Energy: 1.4875372274886287
Energy: 1.4962214814292554
Energy: 1.5092850735293075
Energy: 1.4987853233292154
Energy: 1.48753722749032
Energy: 1.4962214814343298
Energy: 1.4789988129955907
Energy: 1.4848831092405836
Energy: 1.592580616376907
Energy: 1.4854610997662918
Energy: 1.478998812995168
Energy: 1.4848831092363555
Energy: 1.5925806163705645
Energy: 1.4777518538046093
Energy: 1.484589824873949
Energy: 1.5705671550543268
Energy: 1.4849193501051765
Energy: 1.4777518538003809
Energy: 1.484589824877755
Energy: 1.5705671550551725
Energy: 1.4820598332887218
Energy: 1.510876920636086
Energy: 1.5977567002335624
Energy: 1.489113023733882
Energy: 1.4820598332882988
Energy: 1.5108769206301664
Energy: 1.5977567002403281

minimum gb energy = 1.4621385360862906 eV
minimum distance =  2.25464860199462 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.5481338686093224
Energy: 1.516751258956309
Energy: 1.5767978585968148
Energy: 1.5156183618575596
Energy: 1.5481338686113186
Energy: 1.5167512589608003
Energy: 1.5767978586067501
Energy: 1.4687519029383456
Energy: 1.4883146635618312
Energy: 1.412845187329058
Energy: 1.549477759982816
Energy: 1.4687519029253704
Energy: 1.4883146635663227
Energy: 1.4128451873210732
Energy: 1.486218223507759
Energy: 1.475404063048213
Energy: 1.456313928072972
Energy: 1.4860607776516122
Energy: 1.4862182235017705
Energy: 1.4754040630382326
Energy: 1.5181715203268757
Energy: 1.482323216098691
Energy: 1.5505673016816577
Energy: 1.4769011819084408
Energy: 1.5186196821010327
Energy: 1.4823232160971942
Energy: 1.5505673016796615
Energy: 1.4769011819114353
Energy: 1.6047652338075717
Energy: 1.474049213006614
Energy: 1.4566375901948923
Energy: 1.5367792808093506
Energy: 1.6047652338025813
Energy: 1.4740492130001268
Energy: 1.4870731019333416
Energy: 1.5049006422438802
Energy: 1.4775013571481068
Energy: 1.5636049919919819
Energy: 1.5187212622785062
Energy: 1.5049006422478723
Energy: 1.4775013571535962
Energy: 1.5636049919874908
Energy: 1.669757535066844
Energy: 1.474152647328301
Energy: 1.5228523316176255
Energy: 1.533712994996841
Energy: 1.6697575350638498
Energy: 1.4741526473297981
Energy: 1.5235485399301438
Energy: 1.4684656189213803
Energy: 1.5151455437775834
Energy: 1.5913203794726793
Energy: 1.4095328891809664
Energy: 1.4684656189188852
Energy: 1.51514554378457
Energy: 1.591320379481662
Energy: 1.6265703644859255
Energy: 1.4736207342519103
Energy: 1.5486124988019847
Energy: 1.5346609209070428
Energy: 1.6265703644879217
Energy: 1.4736207342499141
Energy: 1.5502328646997932
Energy: 1.4823098983157696
Energy: 1.5184640158414267
Energy: 1.5644188443830058
Energy: 1.4772747328814086
Energy: 1.4823098983162688
Energy: 1.5184640158464169
Energy: 1.5644188443874973
Energy: 1.5035535040361596
Energy: 1.4728113588086584
Energy: 1.4626170961994227
Energy: 1.5346719244846396
Energy: 1.5035535040356605
Energy: 1.4728113588001748
Energy: 1.4626170962019178
Energy: 1.482775364325271
Energy: 1.485103202658901
Energy: 1.4817285769916448
Energy: 1.4852416804531574
Energy: 1.4827753643352517
Energy: 1.4851032026474231
Energy: 1.4817285769896489
Energy: 1.4861622169256867
Energy: 1.5025496201831021
Energy: 1.461564103676242
Energy: 1.3993521182258628
Energy: 1.4861622169167041
Energy: 1.5025496201766146
Energy: 1.4698212429321418
Energy: 1.469182115296141
Energy: 1.4865485175488231
Energy: 1.4112099793733754
Energy: 1.560781843866711
Energy: 1.469182115292149
Energy: 1.4865485175403395
Energy: 1.4112099793693829
Energy: 1.5263312106668272
Energy: 1.5167512589568082
Energy: 1.5560495735941102
Energy: 1.5156183618595558
Energy: 1.5263312106598406
Energy: 1.5167512589627965
Energy: 1.5560495735906625
Energy: 1.4687519029363494
Energy: 1.4883146635648254
Energy: 1.4128451873345473
Energy: 1.553912010095981
Energy: 1.4687519029263685
Energy: 1.4883146635623303
Energy: 1.4128451873225707
Energy: 1.48621822351225
Energy: 1.4922362230402155
Energy: 1.5176917291054097
Energy: 1.486060777651113
Energy: 1.486218223506761
Energy: 1.4922362230411683
Energy: 1.51769172909992
Energy: 1.4823232160971942
Energy: 1.5505673016786634
Energy: 1.4769011819114353
Energy: 1.5186196820940463
Energy: 1.48232321609919
Energy: 1.5505673016756694
Energy: 1.4769011819154274
Energy: 1.5642755332815168
Energy: 1.474049213005616
Energy: 1.4997723841894341
Energy: 1.536779280811846
Energy: 1.564275533282515
Energy: 1.474049213004119
Energy: 1.4997723841799526
Energy: 1.531968115537725
Energy: 1.4775013571471087
Energy: 1.56360499199298
Energy: 1.5187212622785062
Energy: 1.5319681155452105
Energy: 1.4775013571550935
Energy: 1.5636049919879897
Energy: 1.6697575350713352
Energy: 1.474152647338781
Energy: 1.4987185742101772
Energy: 1.5352161088829583
Energy: 1.669757535070337
Energy: 1.4741526473367847
Energy: 1.4987185742041889
Energy: 1.4684656189243743
Energy: 1.5165812882718777
Energy: 1.5913203794771706
Energy: 1.4095328891799683
Energy: 1.4684656189218792
Energy: 1.5165812882793632
Energy: 1.5913203794851554
Energy: 1.6265703644879217
Energy: 1.4736207342569003
Energy: 1.5269217923852754
Energy: 1.5346609209110353
Energy: 1.6265703644894187
Energy: 1.4736207342514112
Energy: 1.5269217923912637
Energy: 1.500241280166396
Energy: 1.5184640158424247
Energy: 1.5644188443790137
Energy: 1.4772747328819076
Energy: 1.5002412801693903
Energy: 1.518464015848912
Energy: 1.5644188443850022
Energy: 1.503553504039653
Energy: 1.472811358811653
Energy: 1.475132656327107
Energy: 1.533305430538848
Energy: 1.5035535040371577
Energy: 1.472811358801173
Energy: 1.47513265629966
Energy: 1.482775364324273
Energy: 1.485103202660897
Energy: 1.4798652883858059
Energy: 1.4852416804536568
Energy: 1.4827753643342536
Energy: 1.4851032026504174
Energy: 1.4798652883828114
Energy: 1.486162216923691
Energy: 1.5025496201796087
Energy: 1.4781239022504262
Energy: 1.3993521182238666
Energy: 1.486162216915706
Energy: 1.5025496201731212
Energy: 1.4781239022464336
Energy: 1.469182115296141
Energy: 1.4865485175408384
Energy: 1.4112099793733754
Energy: 1.5607818438637167
Energy: 1.4691821152926476
Energy: 1.4865485175373452
Energy: 1.4112099793698825
Energy: 1.4862064600690053
Energy: 1.5167512589608003
Energy: 1.5504982274056045
Energy: 1.5156183618595558
Energy: 1.4862064600635156
Energy: 1.5167512589672878
Energy: 1.5504982274080998
Energy: 1.4687519029358502
Energy: 1.4883146635608333
Energy: 1.4128451873320524
Energy: 1.5532624400960549
Energy: 1.4687519029273666
Energy: 1.4883146635628293
Energy: 1.4128451873235688

minimum gb energy = 1.3993521182238666 eV
minimum distance =  2.27873394474199 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.543143454286658
Energy: 1.5696030923011777
Energy: 1.6032381367338298
Energy: 1.569758860321711
Energy: 1.543143454283629
Energy: 1.56960309229936
Energy: 1.5206202052426872
Energy: 1.5579102576869839
Energy: 1.4854192162447848
Energy: 1.3995099909560789
Energy: 1.4841190726659153
Energy: 1.5579102576839547
Energy: 1.4854192162369093
Energy: 1.3995099909608975
Energy: 1.5433127077179318
Energy: 1.4606485994130978
Energy: 1.4847775810092199
Energy: 1.4731110534720795
Energy: 1.5433127077149031
Energy: 1.4606485994130978
Energy: 1.5141429755410418
Energy: 1.5525241485769217
Energy: 1.4845684631269986
Energy: 1.446580734541002
Energy: 1.4838694581169847
Energy: 1.5525241485757102
Energy: 1.4845684631282101
Energy: 1.4465807345373667
Energy: 1.4820098902912202
Energy: 1.4270604948601266
Energy: 1.4837246782274718
Energy: 1.42893559595776
Energy: 1.482009890289403
Energy: 1.4270604948534626
Energy: 1.5164776244102816
Energy: 1.5537880299547204
Energy: 1.4332369792537913
Energy: 1.5273073096408316
Energy: 1.4835249675139146
Energy: 1.5537880299559323
Energy: 1.433236979262878
Energy: 1.5273073096390417
Energy: 1.542476377997662
Energy: 1.426874728908653
Energy: 1.483952136693536
Energy: 1.5029460406067712
Energy: 1.5424763780049315
Energy: 1.4268747289050183
Energy: 1.4839521366947477
Energy: 1.5426314019438543
Energy: 1.476835230220796
Energy: 1.5266895917285355
Energy: 1.483927785665451
Energy: 1.5426314019396137
Energy: 1.4768352302220076
Energy: 1.526689591733382
Energy: 1.5424402396769739
Energy: 1.4900957510332988
Energy: 1.5153108968620153
Energy: 1.4271822946713315
Energy: 1.5424402396757626
Energy: 1.4900957510290582
Energy: 1.5031914827616335
Energy: 1.5380044468560838
Energy: 1.4704575267120028
Energy: 1.4971684944075172
Energy: 1.4833773788337279
Energy: 1.5380044468530545
Energy: 1.4704575267168492
Energy: 1.4971684944075172
Energy: 1.5476523528436066
Energy: 1.4947352690209197
Energy: 1.5287397920285062
Energy: 1.492524661430018
Energy: 1.547652352842395
Energy: 1.4947352690263722
Energy: 1.5125146348593188
Energy: 1.4090940777917886
Energy: 1.4274216565793922
Energy: 1.4723567687428623
Energy: 1.4275639769258617
Energy: 1.4090940777960295
Energy: 1.427421656579998
Energy: 1.4723567687458912
Energy: 1.5474049789049735
Energy: 1.492976179457167
Energy: 1.5234452358607709
Energy: 1.4846154679169925
Energy: 1.5474049789031563
Energy: 1.4929761794565612
Energy: 1.5234452358547126
Energy: 1.4092956762250848
Energy: 1.4276933140954984
Energy: 1.5185351850011826
Energy: 1.4271706387514678
Energy: 1.4092956762256905
Energy: 1.427693314100345
Energy: 1.5185351849981534
Energy: 1.5499872212729635
Energy: 1.429727081332568
Energy: 1.4741343700950675
Energy: 1.4845585404914983
Energy: 1.5499872212699346
Energy: 1.429727081332568
Energy: 1.474134370098097
Energy: 1.4096676325922906
Energy: 1.588249516132076
Energy: 1.4920641590865136
Energy: 1.4951782902601058
Energy: 1.4096676325928963
Energy: 1.5882495161375283
Energy: 1.4920641590853019
Energy: 1.5491085025611258
Energy: 1.4271832808355065
Energy: 1.5250126794847354
Energy: 1.4845094504488177
Energy: 1.5491085025611258
Energy: 1.4271832808458056
Energy: 1.525012679490188
Energy: 1.4095829582033015
Energy: 1.4920789664739555
Energy: 1.4923433624222624
Energy: 1.5607778992595325
Energy: 1.4095829582051187
Energy: 1.492078966469715
Energy: 1.4923433624144145
Energy: 1.5433434092439795
Energy: 1.4274815568808557
Energy: 1.6237682938722973
Energy: 1.485896697595448
Energy: 1.5433434092494314
Energy: 1.4274815568838848
Energy: 1.6237682938674505
Energy: 1.409091894497783
Energy: 1.5573845503401467
Energy: 1.486963710410228
Energy: 1.5574097048606672
Energy: 1.4090918945068425
Energy: 1.5573845503401467
Energy: 1.4869637104156799
Energy: 1.5433480681115324
Energy: 1.4858584891921074
Energy: 1.623886891019883
Energy: 1.427425780426021
Energy: 1.5433480681066862
Energy: 1.4858584891933186
Energy: 1.6238868910241235
Energy: 1.4095697842883135
Energy: 1.5609163643489345
Energy: 1.4923315257490115
Energy: 1.4920175401515143
Energy: 1.4095697842919486
Energy: 1.5609163643452997
Energy: 1.492331525756281
Energy: 1.549109135639754
Energy: 1.4847234648117105
Energy: 1.5247391648693103
Energy: 1.427154007046298
Energy: 1.5491091356433886
Energy: 1.4847234648104985
Energy: 1.5247391648704942
Energy: 1.4096814310363024
Energy: 1.4946939553188647
Energy: 1.492126719147734
Energy: 1.5882640007436928
Energy: 1.409681431031456
Energy: 1.4946939553134126
Energy: 1.492126719144705
Energy: 1.5499292659881445
Energy: 1.4845363091495696
Energy: 1.441961788415486
Energy: 1.4272860954014832
Energy: 1.5499292659984432
Energy: 1.484536309145329
Energy: 1.4419617884166975

minimum gb energy = 1.3995099909560789 eV
minimum distance =  2.27496918933323 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.469285394990677
Energy: 1.6037810748626853
Energy: 1.4934020982215401
Energy: 1.6040031228470681
Energy: 1.469285395017725
Energy: 1.603781074859304
Energy: 1.4934020981978728
Energy: 1.5617409836254783
Energy: 1.5314642078405194
Energy: 1.5095557580444976
Energy: 1.531114187269493
Energy: 1.561740983622097
Energy: 1.5314642078472813
Energy: 1.5095557580174497
Energy: 1.469540288763663
Energy: 1.5236959633485492
Energy: 1.4723077617391394
Energy: 1.494008720276583
Energy: 1.469540288746758
Energy: 1.523695963365454
Energy: 1.472307761718915
Energy: 1.4204759969063703
Energy: 1.5305897760756817
Energy: 1.417573649447467
Energy: 1.5295775589904548
Energy: 1.4204759968793224
Energy: 1.5305897760486338
Energy: 1.4175736494542293
Energy: 1.5167476301145566
Energy: 1.449544991795188
Energy: 1.5062733097772867
Energy: 1.4301929636475619
Energy: 1.5167476300672833
Energy: 1.4495449917884258
Energy: 1.5062733097570007
Energy: 1.4211709545014752
Energy: 1.4555420512621253
Energy: 1.5242587296200976
Energy: 1.4544881636608227
Energy: 1.4211709545251425
Energy: 1.4555420512722685
Energy: 1.5242587296099541
Energy: 1.4219225123857178
Energy: 1.450016407081978
Energy: 1.4859700470577175
Energy: 1.444041333371641
Energy: 1.4219225123755745
Energy: 1.450016407068454
Energy: 1.4859700470746227
Energy: 1.4237830968950833
Energy: 1.4279610671174385
Energy: 1.5398843195006808
Energy: 1.4047367588308335
Energy: 1.4237830968883212
Energy: 1.4279610671242005
Energy: 1.539884319510824
Energy: 1.4218660200540487
Energy: 1.4255309184932328
Energy: 1.5339287132605879
Energy: 1.4119321036053782
Energy: 1.4218660200337623
Energy: 1.4255309184932328
Energy: 1.5339287132538257
Energy: 1.4037213518132994
Energy: 1.4277908784387547
Energy: 1.4509859183205929
Energy: 1.4333149779495469
Energy: 1.4037213518268234
Energy: 1.427790878435374
Energy: 1.450985918337498
Energy: 1.422235076254379
Energy: 1.4551232878117093
Energy: 1.5627131167633623
Energy: 1.4120452949299742
Energy: 1.422235076264522
Energy: 1.4551232878218525
Energy: 1.5627131167532196
Energy: 1.4037151330101243
Energy: 1.402462941768191
Energy: 1.5493298290705428
Energy: 1.454753641534491
Energy: 1.4037151330371724
Energy: 1.402462941785096
Energy: 1.5493298290502568
Energy: 1.4234107025318712
Energy: 1.471999319560366
Energy: 1.5629522855964575
Energy: 1.4031600898082308
Energy: 1.4234107025420144
Energy: 1.4719993195536656
Energy: 1.5629522856032194
Energy: 1.4479861270440944
Energy: 1.5039601331925225
Energy: 1.5519035613779428
Energy: 1.5156811981971559
Energy: 1.4479861270474756
Energy: 1.5039601331722365
Energy: 1.5519035613576564
Energy: 1.4231417158111788
Energy: 1.4781869818660147
Energy: 1.5060802648969063
Energy: 1.5079189513678348
Energy: 1.4231417158044166
Energy: 1.4781869818491098
Energy: 1.5679466161392057
Energy: 1.448280706957369
Energy: 1.4026673203193385
Energy: 1.536730040656359
Energy: 1.4550988113705765
Energy: 1.44828070696075
Energy: 1.4026673203362439
Energy: 1.536730040663121
Energy: 1.4673234787523788
Energy: 1.4725376519139903
Energy: 1.5392275405728826
Energy: 1.40281095473327
Energy: 1.4673234787422356
Energy: 1.4725376519376574
Energy: 1.5392275405762634
Energy: 1.4039245418908308
Energy: 1.4077706531219492
Energy: 1.535239313724911
Energy: 1.4497442515401573
Energy: 1.4039245419178175
Energy: 1.4077706530949015
Energy: 1.535239313735054
Energy: 1.467216337805708
Energy: 1.4380023989004473
Energy: 1.5623556823829134
Energy: 1.4252125676569263
Energy: 1.4672163378293137
Energy: 1.4380023989072095
Energy: 1.5623556823862945
Energy: 1.4107384218881105
Energy: 1.424532454579766
Energy: 1.494847653025342
Energy: 1.4427229314252474
Energy: 1.4107384218914913
Energy: 1.424532454552779
Energy: 1.494847653025342
Energy: 1.4549056338804476
Energy: 1.4437274304918857
Energy: 1.4416992602276897
Energy: 1.4726686321244662
Energy: 1.4549056338838284
Energy: 1.4437274304851238
Energy: 1.4416992602445948
Energy: 1.405345449457783
Energy: 1.42945759620348
Energy: 1.499722649061238
Energy: 1.4529872877431402
Energy: 1.4053454494780693
Energy: 1.4294575961899554
Energy: 1.4997226490747622
Energy: 1.457177755581406
Energy: 1.4432845410373305
Energy: 1.4730769872932592
Energy: 1.5561291127651578
Energy: 1.4571777555983112
Energy: 1.443284541027187
Energy: 1.4940897473144594
Energy: 1.4563788364852293
Energy: 1.4458724063938475
Energy: 1.5444135876181166
Energy: 1.4198398406171882
Energy: 1.4563788364818482
Energy: 1.445872406360037
Energy: 1.5444135875876872
Energy: 1.4560001413093235
Energy: 1.5159440862188727
Energy: 1.4815271694631256
Energy: 1.6011450298020846
Energy: 1.4560001412924182
Energy: 1.5159440862390974
Energy: 1.4815271694462204
Energy: 1.4626313969201068
Energy: 1.5200658152054707
Energy: 1.6436197135986605
Energy: 1.443125539506134
Energy: 1.4626313969268687
Energy: 1.5200658152359
Energy: 1.6436197135952793
Energy: 1.6161834944186069
Energy: 1.511416559410385
Energy: 1.4581539284889187
Energy: 1.601666939269798
Energy: 1.6161834944186069
Energy: 1.5114165594036229
Energy: 1.4581539284855378
Energy: 1.4621854640180412
Energy: 1.595525686773951
Energy: 1.6427153969100352
Energy: 1.5186905150067551
Energy: 1.4621854640112792
Energy: 1.595525686777332
Energy: 1.64271539689313
Energy: 1.614645269990548
Energy: 1.5117723582839824
Energy: 1.4369224430422973
Energy: 1.6021095393060025
Energy: 1.6146452700243583
Energy: 1.5117723583042684
Energy: 1.4369224430321543
Energy: 1.4625671270172187
Energy: 1.507214651347624
Energy: 1.6307185526573713
Energy: 1.4414712770862128
Energy: 1.4625671270205998
Energy: 1.5072146513577667
Energy: 1.6307185526539902
Energy: 1.4369129042816444
Energy: 1.511879924182109
Energy: 1.5327104876570163
Energy: 1.6027982800073501
Energy: 1.4369129042782631
Energy: 1.5118799242091574
Energy: 1.5327104876603976
Energy: 1.46279505557193
Energy: 1.4466649603974135
Energy: 1.5606034644943267
Energy: 1.4139898460981932
Energy: 1.4627950555922158
Energy: 1.4466649603771273
Energy: 1.5606034644943267
Energy: 1.436580757571298
Energy: 1.440442958401059
Energy: 1.5725758089006225
Energy: 1.5058443733817737
Energy: 1.436580757551012
Energy: 1.4404429584246647
Energy: 1.5725758089209088
Energy: 1.4502036330864474
Energy: 1.4468081519889604
Energy: 1.5286336329977233
Energy: 1.4625087798955836
Energy: 1.4502036330662227
Energy: 1.446808152012566
Energy: 1.5286336330112476
Energy: 1.479504671596744
Energy: 1.436851048965891
Energy: 1.5635412534268514
Energy: 1.5044922940704313
Energy: 1.479504671593363
Energy: 1.4368510489591289
Energy: 1.5635412534538995
Energy: 1.4500368921875204
Energy: 1.4486662118427953
Energy: 1.5552480279912093
Energy: 1.4469044809307756
Energy: 1.450036892194283
Energy: 1.4486662118360332
Energy: 1.5552480279912093
Energy: 1.4791500918828813
Energy: 1.4228029664019828
Energy: 1.4980104752409924
Energy: 1.5233775619302086
Energy: 1.4791500918997864
Energy: 1.4228029664019828
Energy: 1.498010475217325
Energy: 1.4781162407392925
Energy: 1.4491299962972328
Energy: 1.4952193790465407
Energy: 1.44697710188641
Energy: 1.478116240752755
Energy: 1.4491299962532798
Energy: 1.4952193790228736
Energy: 1.4794356324662599
Energy: 1.5269882803652153
Energy: 1.547162190081052
Energy: 1.500363143566289
Energy: 1.4794356324459736
Energy: 1.5269882803516912
Energy: 1.5471621900911954
Energy: 1.4784665361939524
Energy: 1.5133419252270177
Energy: 1.5417054466648623
Energy: 1.4631948054072619
Energy: 1.4784665361871903
Energy: 1.5133419252439226
Energy: 1.5417054466716245
Energy: 1.555123890258099
Energy: 1.4969662711142209
Energy: 1.5345420111582142
Energy: 1.500383207304138
Energy: 1.5551238902479563
Energy: 1.4969662711547318
Energy: 1.5345420111413093
Energy: 1.4785466032605812
Energy: 1.474225810305339
Energy: 1.5945887951581044
Energy: 1.5096638058025043
Energy: 1.4785466032470571
Energy: 1.4742258102782906
Energy: 1.5945887951750095
Energy: 1.4492935986529676
Energy: 1.4969277591251597
Energy: 1.464637252201905
Energy: 1.499837626541738
Energy: 1.4492935986495865
Energy: 1.4969277590947923
Energy: 1.4646372521816187
Energy: 1.476399559476134
Energy: 1.4719391579854337
Energy: 1.563761815814588
Energy: 1.4074326435938673
Energy: 1.4763995595031822
Energy: 1.4719391579955154
Energy: 1.5637618158314932
Energy: 1.4043913988931345
Energy: 1.4971952785480491
Energy: 1.4647281403845747
Energy: 1.5193376542708477
Energy: 1.4043913988829912
Energy: 1.497195278524382
Energy: 1.4647281403980985

minimum gb energy = 1.402462941768191 eV
minimum distance =  2.28570429333362 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.413456603288115
Energy: 1.2613199558310266
Energy: 1.3813405886286148
Energy: 1.261319955837125
Energy: 1.4134566032919265
Energy: 1.2613199558378874
Energy: 1.4110461293172916
Energy: 1.4134566032888776
Energy: 1.2613199558386496
Energy: 1.4166782050574078
Energy: 1.2613199558447483
Energy: 1.4134566032919265
Energy: 1.2613199558287398
Energy: 1.332252741841602
Energy: 1.4134566032949758
Energy: 1.2613199558432233
Energy: 1.4130220477261468
Energy: 1.2613199558279777
Energy: 1.4134566032896398
Energy: 1.2613199558432233
Energy: 1.4566754984379195
Energy: 1.413456603282779
Energy: 1.2613199558302646
Energy: 1.4271451350418634
Energy: 1.2613199558401744
Energy: 1.4134566032911644
Energy: 1.2613199558363628
Energy: 1.3495024932171218
Energy: 1.413456603292689
Energy: 1.2613199558356005
Energy: 1.6737324689086133
Energy: 1.2613199558447483
Energy: 1.4134566032934515
Energy: 1.2613199558272152
Energy: 1.332252741841602
Energy: 1.4134566032934515
Energy: 1.2613199558432233
Energy: 1.3795022343355003
Energy: 1.2613199558287398
Energy: 1.4134566032896398
Energy: 1.2613199558432233
Energy: 1.49008857589369
Energy: 1.4134566032820168
Energy: 1.2613199558302646
Energy: 1.3042994589503019
Energy: 1.2613199558363628
Energy: 1.4134566032911644
Energy: 1.2613199558378874
Energy: 1.1106876776397043
Energy: 1.4134566032896398
Energy: 1.2613199558409365
Energy: 1.2487019601563065
Energy: 1.2613199558447483
Energy: 1.4134566032896398
Energy: 1.2613199558279777
Energy: 1.4205432640080613
Energy: 1.4134566032934515
Energy: 1.2613199558401744
Energy: 1.4255054844867512
Energy: 1.2613199558272152
Energy: 1.4134566032896398
Energy: 1.2613199558409365
Energy: 1.3187851226753344
Energy: 1.413456603282779
Energy: 1.2613199558333135
Energy: 1.430105790830623
Energy: 1.2613199558378874
Energy: 1.413456603290402
Energy: 1.2613199558378874
Energy: 1.4301057908290982
Energy: 1.413456603292689
Energy: 1.2613199558378874
Energy: 1.420543264011873
Energy: 1.2613199558432233
Energy: 1.4134566032934515
Energy: 1.261319955826453
Energy: 1.332252741841602
Energy: 1.4134566032942133
Energy: 1.2613199558401744
Energy: 1.3322527418461758
Energy: 1.2613199558302646
Energy: 1.4134566032888776
Energy: 1.2613199558424613
Energy: 1.1761754175049084
Energy: 1.4134566032843037
Energy: 1.261319955829502
Energy: 1.332252741841602
Energy: 1.2613199558386496
Energy: 1.413456603292689
Energy: 1.2613199558363628
Energy: 1.415329449542684
Energy: 1.413456603288115
Energy: 1.2613199558394121
Energy: 1.3322527418385528
Energy: 1.2613199558455104
Energy: 1.4134566032911644
Energy: 1.261319955829502
Energy: 1.3322527418408394
Energy: 1.4134566032934515
Energy: 1.2613199558432233
Energy: 1.3322527418507149
Energy: 1.2613199558234038
Energy: 1.4134566032919265
Energy: 1.2613199558424613
Energy: 1.176175417547597
Energy: 1.4134566032812546
Energy: 1.2613199558310266
Energy: 1.3322527418385528
Energy: 1.2613199558378874
Energy: 1.413456603292689
Energy: 1.2613199558409365
Energy: 1.4153294495411595
Energy: 1.4134566032919265
Energy: 1.2613199558378874
Energy: 1.3322527418377905
Energy: 1.2613199558409365
Energy: 1.4134566032942133
Energy: 1.2613199558287398
Energy: 1.4153294495396351
Energy: 1.413456603292689
Energy: 1.2613199558409365
Energy: 1.3322527418514771
Energy: 1.2613199558325514
Energy: 1.4134566032911644
Energy: 1.261319955847035
Energy: 1.4190929344019436
Energy: 1.4134566032858285
Energy: 1.2613199558279777
Energy: 1.3322527418408394
Energy: 1.2613199558363628
Energy: 1.4134566032911644
Energy: 1.261319955837125
Energy: 1.3322527418484282
Energy: 1.4134566032949758
Energy: 1.2613199558348382
Energy: 1.3322527418400776
Energy: 1.2613199558439858
Energy: 1.413456603292689
Energy: 1.2613199558272152
Energy: 1.4153294495388726

minimum gb energy = 1.1106876776397043 eV
minimum distance =  2.24034106625466 Angstroms
sigma value = 23