Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082758843899
cohesive_energy=3.360264281693947
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28593319442548e-19, 5.236137544640759e-19, 5.16991958435754e-19, 9.2148388016193e-20, 8.384046129824938e-20, 7.2641887497243e-20, 5.7724020858069e-20, 3.7986486468496195e-20, 1.2065143077037979e-20, -2.18294964205866e-20, -6.538098320961839e-20, -1.19894081875488e-19, -1.8879729019729198e-19, -2.7643955643036e-19, -3.8764823877293396e-19, -5.27726541883554e-19, -7.028220175068779e-19, -9.24422272108686e-19, -1.210021472355624e-18, -1.5696172004438519e-18, -1.999516439232e-18, -2.48407874041896e-18, -3.0525310101621597e-18, -3.7580655127103996e-18, -4.7533376377511996e-18, -6.454993418956259e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012759197184664735
Energy: 0.315825278197143
Energy: 0.41341104911643983
Energy: 0.41847454680953017
Energy: 0.4115763591685361
Energy: 0.18187929828490224
Energy: 0.013993075557140341
Energy: 0.07073713316052764
Energy: 0.3217440012124102
Energy: 0.15625587848993322
Energy: 0.3182038170691482
Energy: 0.266796355902529
Energy: 0.013236211000598854
Energy: 0.07158157100193478
Energy: 0.013102292691304803
Energy: 0.32543689500563067
Energy: 0.20461183302590802
Energy: 0.2666521830220265
Energy: 0.3200572129534255
Energy: 0.0708138690211885
Energy: 0.07177714898734047
Energy: 0.014380794613817761
Energy: 0.2653059773314753
Energy: 0.26862879381746696
Energy: 0.41900552161935695
Energy: 0.32129471586402436
Energy: 0.07091059901776359
Energy: 0.01331262793436147
Energy: 0.07109155997021475
Energy: 0.32222624089479773
Energy: 0.15662708770763425
Energy: 0.3175103698502326
Energy: 0.3068388082135756
Energy: 0.01339464449452807
Energy: 0.07127262412239155
Energy: 0.013004708849251772
Energy: 0.3243310396101229
Energy: 0.20493725099047558
Energy: 0.2666754520818412
Energy: 0.3202008792893068
Energy: 0.07076382195560395
Energy: 0.07204648771492697

minimum gb energy = 0.012759197184664735 eV
minimum distance =  2.82490191987034 Angstroms
sigma value = 5


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

Energy: 0.5857183412491171
Energy: 0.670706536597918
Energy: 0.6192358110909931
Energy: 0.5320390168329627
Energy: 0.6532908701799871
Energy: 0.5655834136051296
Energy: 0.6306539662804137
Energy: 0.5303993412360832
Energy: 0.5995181897245558
Energy: 0.5922882025861681
Energy: 0.6052290541803048
Energy: 0.6237808370202221
Energy: 0.5718006173271666
Energy: 0.5802123180439395
Energy: 0.5724279075828873
Energy: 0.6043014999243146
Energy: 0.5892050804932089
Energy: 0.5983374216602022
Energy: 0.6280328213541985
Energy: 0.5771945113099851
Energy: 0.622400954397282
Energy: 0.5827920158720481
Energy: 0.5910629155900429
Energy: 0.5366855825784764
Energy: 0.6223681987227829
Energy: 0.6117810491292582
Energy: 0.5919585832394817
Energy: 0.5894207642471953
Energy: 0.6006099200907682
Energy: 0.6018851678892553
Energy: 0.5678225415179174
Energy: 0.6042323128692325
Energy: 0.5726467399306188
Energy: 0.6177496475044127
Energy: 0.6223122347835008
Energy: 0.5874247815699205
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Energy: 0.5680265763404584
Energy: 0.5869343550570982
Energy: 0.5900015707879119
Energy: 0.5739262347992351
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Energy: 0.6117962291783463
Energy: 0.6247434375105794
Energy: 0.5708416551241751
Energy: 0.5936239248301628
Energy: 0.6219065863409524
Energy: 0.5824187757086688
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Energy: 0.5692687727951254
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Energy: 0.5792854752580358
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Energy: 0.6269724882014568
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Energy: 0.6111697809270618
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Energy: 0.5536007008393801
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Energy: 0.5819756663505818
Energy: 0.5862085852036334
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Energy: 0.5582553165191054
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Energy: 0.5873797194723188
Energy: 0.6156022706025674
Energy: 0.5762305836720092
Energy: 0.5785759254759197
Energy: 0.5849765774174092
Energy: 0.5856306748622356
Energy: 0.6256246476844223
Energy: 0.5318020515097678
Energy: 0.6214569737801307
Energy: 0.6092344785393257
Energy: 0.5934926276785399
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Energy: 0.643915463556017
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Energy: 0.6181732474788404
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Energy: 0.5724637962341678
Energy: 0.5605414489154804
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Energy: 0.5682914123373676
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Energy: 0.580275943950596
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Energy: 0.5800290991723058
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Energy: 0.6147191874573967
Energy: 0.5719318041059855
Energy: 0.5760562930493228
Energy: 0.5380291567685861
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Energy: 0.6420605659267105
Energy: 0.5764221715617801
Energy: 0.5937364967892157
Energy: 0.597223233939718
Energy: 0.6281899649376512
Energy: 0.6417914123057062
Energy: 0.612800574349254
Energy: 0.5692649275047509
Energy: 0.5458879238335841
Energy: 0.5819946563984885
Energy: 0.5846947978893268
Energy: 0.5606607765744223
Energy: 0.6046325787890675
Energy: 0.5861450071557482
Energy: 0.6541389107689782
Energy: 0.6008852408486473
Energy: 0.5835903807428383
Energy: 0.571791198985666
Energy: 0.5981545766890658
Energy: 0.6311465977920172
Energy: 0.5391702875998543
Energy: 0.5902616413874902
Energy: 0.552556067421417
Energy: 0.581249110243149
Energy: 0.6061786106732495
Energy: 0.5714358471757082
Energy: 0.5991936480783508
Energy: 0.5689992475840695
Energy: 0.5920530573095284
Energy: 0.5921302021891935
Energy: 0.6113570448149628
Energy: 0.6534210654610383
Energy: 0.6246231748615672
Energy: 0.5815357287389278
Energy: 0.5364268356072942
Energy: 0.6049612259423907
Energy: 0.6224071919968832
Energy: 0.6055504954150089
Energy: 0.6036011823199825
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Energy: 0.6214977331342927
Energy: 0.5735058132653809
Energy: 0.5884942374658753
Energy: 0.6238303517134284
Energy: 0.5665149432118103
Energy: 0.6070501319909961

minimum gb energy = 0.5279928071012973 eV
minimum distance =  2.53985906224259 Angstroms
sigma value = 401


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

Energy: 0.5599769613049792
Energy: 0.6711281202869496
Energy: 0.5778254524579667
Energy: 0.5453557314734269
Energy: 0.6928089182572958
Energy: 0.5711174937195085
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Energy: 0.64680093151422
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Energy: 0.5922657664777653
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Energy: 0.5578504913804045
Energy: 0.5587990750464094
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Energy: 0.5639423921517205
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Energy: 0.5505718860264175
Energy: 0.5409229407172386
Energy: 0.5832707483857088
Energy: 0.595274676154926
Energy: 0.5840770111595751
Energy: 0.575857744736264
Energy: 0.6074066307470429
Energy: 0.5674020396469713
Energy: 0.5745029867346324
Energy: 0.5995828711482373
Energy: 0.6100011209933983
Energy: 0.6347963068760246
Energy: 0.6055634951278165
Energy: 0.6038874067184707
Energy: 0.5732574218189896
Energy: 0.5681606107800415
Energy: 0.6024190303500119
Energy: 0.635898533699333
Energy: 0.5387674188100133
Energy: 0.5632321605295552
Energy: 0.5455278167946057
Energy: 0.6164900531965729
Energy: 0.6126417485493743
Energy: 0.5953105882601276
Energy: 0.5866991217146724
Energy: 0.5506128456734858
Energy: 0.5598459771954992
Energy: 0.5629253181397406
Energy: 0.5794097173024957
Energy: 0.5732697545099699
Energy: 0.5624589869520712
Energy: 0.5704107617746086
Energy: 0.5457879613455066
Energy: 0.5821726298012776
Energy: 0.5322955204919222
Energy: 0.6312700197365452
Energy: 0.5882120415873018
Energy: 0.522855653605073
Energy: 0.5507592047269292
Energy: 0.534363014937426
Energy: 0.574934319315091
Energy: 0.5780839707946868
Energy: 0.6711671479594445
Energy: 0.6017366312030165
Energy: 0.5472211406926681
Energy: 0.5600648900819035
Energy: 0.5412633174765034
Energy: 0.6283940270122071
Energy: 0.5508094784988827
Energy: 0.5679776154696342
Energy: 0.6330855998407945
Energy: 0.5715240241983595
Energy: 0.5648050617601008
Energy: 0.5826004231695084
Energy: 0.6386556312456536
Energy: 0.5757493803832616
Energy: 0.6015556470384416
Energy: 0.5778632973253225
Energy: 0.6242234098672295
Energy: 0.5552127397272582
Energy: 0.5558061313176272
Energy: 0.57780147780144
Energy: 0.5627161155684043
Energy: 0.5787595002382623
Energy: 0.5572695475461801
Energy: 0.6429347548765341
Energy: 0.5964602871757264
Energy: 0.6161962942527363
Energy: 0.5920646063908798
Energy: 0.5628548539140282
Energy: 0.55103748115058
Energy: 0.5403843563589126
Energy: 0.675108425066944
Energy: 0.5798709218294568
Energy: 0.5666152329448244
Energy: 0.5729384093631092
Energy: 0.5285530812730549
Energy: 0.5636822232661473
Energy: 0.575526194427475
Energy: 0.596944656039406
Energy: 0.6119767756408725
Energy: 0.6172188608143303
Energy: 0.601256042419853
Energy: 0.6002109976872673
Energy: 0.5713877538801544
Energy: 0.5706994529672532
Energy: 0.6082793064543728
Energy: 0.579917032317495
Energy: 0.5414149347149902
Energy: 0.6212747397169137
Energy: 0.5981120354899321
Energy: 0.5941905765104972
Energy: 0.6113351770901078
Energy: 0.5799720595716271
Energy: 0.5969570886145428
Energy: 0.5772706446505665
Energy: 0.5727347987825582
Energy: 0.5796513619127385
Energy: 0.5955467181530089
Energy: 0.6284030527973978
Energy: 0.5832606694448657
Energy: 0.5774334130637132
Energy: 0.5569321303207975
Energy: 0.5624596198168442
Energy: 0.5188991070925051
Energy: 0.5467892077793205
Energy: 0.637167150167068
Energy: 0.5555673278986178
Energy: 0.5720003677519804

minimum gb energy = 0.5114374811426179 eV
minimum distance =  2.58572661003929 Angstroms
sigma value = 311


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

Energy: 0.5507628284741394
Energy: 0.6334137867373305
Energy: 0.6192787612602926
Energy: 0.5549379669751144
Energy: 0.5882480368225312
Energy: 0.5660879504921511
Energy: 0.6241598114143709
Energy: 0.5451149210746786
Energy: 0.577764205599183
Energy: 0.5457205691688539
Energy: 0.5823734952006363
Energy: 0.5877967248537773
Energy: 0.5667974648922204
Energy: 0.5861376827357119
Energy: 0.5732608751908236
Energy: 0.5745552820118831
Energy: 0.5695112207668881
Energy: 0.5964029220277286
Energy: 0.5939318744923722
Energy: 0.5560553402166
Energy: 0.6043719544441954
Energy: 0.5359196142412361
Energy: 0.5981311201034022
Energy: 0.5868195766125063
Energy: 0.6051891469017426
Energy: 0.5545936403160353
Energy: 0.5679040610180951
Energy: 0.5791147672273504
Energy: 0.5774122096769397
Energy: 0.5349147169395474
Energy: 0.5533421977354662
Energy: 0.5843529873427005
Energy: 0.5876634753683629
Energy: 0.5686676687427304
Energy: 0.6130906589580314
Energy: 0.5851532559340733
Energy: 0.5437729698363204
Energy: 0.5450108937295394
Energy: 0.5747405888024592
Energy: 0.5543867295496343
Energy: 0.5544773814768028
Energy: 0.5906904002148244
Energy: 0.5634165224394688
Energy: 0.6416947639961198
Energy: 0.5705855266938189
Energy: 0.606910953896396
Energy: 0.5771111147256327
Energy: 0.5704859738055755
Energy: 0.6100323871148646
Energy: 0.5920493346236779
Energy: 0.5674915972188127
Energy: 0.5741437910284899
Energy: 0.5938978491656008
Energy: 0.5861688908101882
Energy: 0.5718987651753213
Energy: 0.6085157534641713
Energy: 0.6009931293008499
Energy: 0.6096782433783091
Energy: 0.5977094802326766
Energy: 0.5999781106536943
Energy: 0.5946699301007199
Energy: 0.591086196131776
Energy: 0.580686042603101
Energy: 0.5683972773545348
Energy: 0.5651754477489476
Energy: 0.5769204574963432
Energy: 0.5734484967717027
Energy: 0.5453501440637849
Energy: 0.5494354372599681
Energy: 0.5573665967931565
Energy: 0.5766868123892965
Energy: 0.5769931907847421
Energy: 0.5736843219347776
Energy: 0.5849881879068345
Energy: 0.5739370295774013
Energy: 0.600439439232304
Energy: 0.6064085768509156
Energy: 0.5566071860777209
Energy: 0.5805841188920001
Energy: 0.5495392999348918
Energy: 0.5686636724100528
Energy: 0.5707179493861779
Energy: 0.5418865849297916
Energy: 0.5886165460718041
Energy: 0.5614211384399673
Energy: 0.6328217769022376
Energy: 0.5837054271332228
Energy: 0.5700195946921591
Energy: 0.5765492030220079
Energy: 0.590992207037149
Energy: 0.5903638708796448
Energy: 0.5661491996847259
Energy: 0.5452329375206245
Energy: 0.5913930332296362
Energy: 0.5984167760033993
Energy: 0.5950711626109703
Energy: 0.5670203135537263
Energy: 0.5784241077399187
Energy: 0.5953097719645879
Energy: 0.6033071250515903
Energy: 0.5700809320452166
Energy: 0.5952226278347484
Energy: 0.5810026461712886
Energy: 0.599197662679052
Energy: 0.6081500935446439
Energy: 0.5368369453668309
Energy: 0.5681293921338628
Energy: 0.5765557586634988
Energy: 0.5764938076502514
Energy: 0.5355387536671569
Energy: 0.5755401028482596
Energy: 0.5841186695954835
Energy: 0.6203517473693467
Energy: 0.5482458736157272
Energy: 0.5606255434566645
Energy: 0.589145175878755
Energy: 0.5641783610231523
Energy: 0.6118151916356934
Energy: 0.6104686310581294
Energy: 0.5988919672392248
Energy: 0.5766508882603854
Energy: 0.5918938467292643
Energy: 0.5617775473546718
Energy: 0.5900666249164735
Energy: 0.5517123757667495
Energy: 0.575012655885257
Energy: 0.5540705679158452
Energy: 0.614742409902445
Energy: 0.5944511239537561
Energy: 0.5895484085971295
Energy: 0.6072870566433175
Energy: 0.5737017100069934
Energy: 0.6227368140421767
Energy: 0.5868273444152918
Energy: 0.5725235520000456
Energy: 0.5900194032462099
Energy: 0.5839066364452241
Energy: 0.5989397694045979
Energy: 0.5773444377119142
Energy: 0.6172674928429768
Energy: 0.5738693207007407
Energy: 0.5787905137544637
Energy: 0.5970103245694663
Energy: 0.6177006117194185
Energy: 0.6007983678660052
Energy: 0.5889618572341431
Energy: 0.6106516955697878
Energy: 0.5365825815564655
Energy: 0.5833234436739397
Energy: 0.559538194038834
Energy: 0.590031742096597
Energy: 0.5656305228185229
Energy: 0.5582594036893397
Energy: 0.5481862312920066
Energy: 0.5628730657695454
Energy: 0.5498768517956537
Energy: 0.5514336213791544
Energy: 0.5866272326098185
Energy: 0.5758029756847544
Energy: 0.611112994178737
Energy: 0.5913326660924095
Energy: 0.5782135076943057
Energy: 0.6123694944302835
Energy: 0.5855341923237648
Energy: 0.5439141031310242
Energy: 0.5435701798865789
Energy: 0.5478884659682534
Energy: 0.5607469860666423
Energy: 0.600849469257442
Energy: 0.5905744705775385
Energy: 0.570681842346802
Energy: 0.6126535496446427
Energy: 0.593361771066025
Energy: 0.5910149655533498
Energy: 0.6132492155353618
Energy: 0.5737551662129282
Energy: 0.5658099155649895
Energy: 0.5975497927331653
Energy: 0.5966812185518123
Energy: 0.5878014730618922
Energy: 0.5728658186081236
Energy: 0.6305285137678657
Energy: 0.5454170955672405
Energy: 0.6469224872746445
Energy: 0.5890925625552401
Energy: 0.5983702672953282
Energy: 0.5915393479240373
Energy: 0.576044341619902
Energy: 0.5919551919630026
Energy: 0.560314668772859
Energy: 0.6048529743437031
Energy: 0.5535458068866503
Energy: 0.5629676837859559
Energy: 0.5482231029881194
Energy: 0.5579617911946834
Energy: 0.5660230032904975
Energy: 0.5629008062608456
Energy: 0.5553421516160149
Energy: 0.5717875473435213
Energy: 0.5797166906260666
Energy: 0.5549801171977845
Energy: 0.6188520857188891
Energy: 0.6217414702224108
Energy: 0.5469410969273921
Energy: 0.5628576871964058
Energy: 0.5892515450244498
Energy: 0.5713484419750703
Energy: 0.5379329566919182
Energy: 0.5400329748228985
Energy: 0.5693328735097929
Energy: 0.5957586729242511
Energy: 0.578322348507581
Energy: 0.6237727242293044
Energy: 0.5886805782967168
Energy: 0.5807236330054691
Energy: 0.5872081568234352
Energy: 0.6075649338023854
Energy: 0.5901110877893425
Energy: 0.5471951721719791
Energy: 0.5985824882494933
Energy: 0.5949054641074794
Energy: 0.5860216369370905
Energy: 0.5726031509788143
Energy: 0.6399503944778162
Energy: 0.5315837791972194
Energy: 0.620911806884174
Energy: 0.5709614501951126
Energy: 0.6072738549097219
Energy: 0.592331954686127
Energy: 0.5778053601802375
Energy: 0.5957617866077125
Energy: 0.5575127118917221
Energy: 0.5688101038780848
Energy: 0.5518381300148246
Energy: 0.5572923850064961
Energy: 0.5736604182509782
Energy: 0.5527677160555426
Energy: 0.5610801467445519
Energy: 0.5655958853161581
Energy: 0.5760286567109714
Energy: 0.5563325877938649
Energy: 0.5888285406165484
Energy: 0.5495083040631195
Energy: 0.5882338113874644
Energy: 0.5689449386598112
Energy: 0.5490519143556862
Energy: 0.6152018696022282
Energy: 0.6302480204785066
Energy: 0.5606536473307869
Energy: 0.5437340482480066
Energy: 0.5657151188865359
Energy: 0.5658291831946385

minimum gb energy = 0.5315837791972194 eV
minimum distance =  2.55641775077059 Angstroms
sigma value = 39


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

Energy: 0.5161496278921085
Energy: 0.679127669478549
Energy: 0.5310735285212448
Energy: 0.5840153365006566
Energy: 0.5915783660551385
Energy: 0.5812896758452842
Energy: 0.5051231563590671
Energy: 0.5274338419492873
Energy: 0.5458000015591545
Energy: 0.5596628096339415
Energy: 0.5582891445379997
Energy: 0.5623902628017307
Energy: 0.519630890480099
Energy: 0.6411022376238174
Energy: 0.5285834586395486
Energy: 0.5127456548111247
Energy: 0.5423275942523714
Energy: 0.5610990013189231
Energy: 0.5561359059130008
Energy: 0.5204132570591146
Energy: 0.522248240606182
Energy: 0.54297437480262
Energy: 0.5639767763048833
Energy: 0.5593730170345256
Energy: 0.5609715617403399
Energy: 0.5642560628608995
Energy: 0.5589627282526418
Energy: 0.5948049376473796
Energy: 0.5317686328703097
Energy: 0.5626965979785872
Energy: 0.5399277963167716
Energy: 0.5192735109923305
Energy: 0.5727856894892842
Energy: 0.5738087481842613
Energy: 0.520334605997596
Energy: 0.5128622817611393
Energy: 0.5602211298425607
Energy: 0.5186884659903723
Energy: 0.7194542981890768
Energy: 0.548655272566731
Energy: 0.5410834614013205
Energy: 0.5202810969744917
Energy: 0.6310453724993884
Energy: 0.5501954864633731
Energy: 0.5169993087537215
Energy: 0.6464814221962396
Energy: 0.5048902658858482
Energy: 0.5051634173055266
Energy: 0.5404833801265282
Energy: 0.5118661802499854
Energy: 0.548561435203683
Energy: 0.6464033751990924
Energy: 0.518509247896894
Energy: 0.5498306027394216
Energy: 0.5822024494399833
Energy: 0.5205396873061641
Energy: 0.5118356759150113
Energy: 0.5484768961510427
Energy: 0.639737806936402
Energy: 0.5426154546772627
Energy: 0.5597117690795993
Energy: 0.5621068976180861
Energy: 0.5207574102091437
Energy: 0.6000925548138849
Energy: 0.5372915618518759
Energy: 0.5593162073523558
Energy: 0.5662311322906927
Energy: 0.5613491735926431
Energy: 0.5197318638966307
Energy: 0.5204102717588447
Energy: 0.5460481644407327
Energy: 0.5635760255458676
Energy: 0.5847265442046159
Energy: 0.560219883510666
Energy: 0.5565168442902712
Energy: 0.5337870760270378
Energy: 0.5438427213194148
Energy: 0.5386336654932528
Energy: 0.5468986092804674
Energy: 0.5587814154219239
Energy: 0.5422021984432036
Energy: 0.5822928147656845
Energy: 0.5597433780590334
Energy: 0.5952566492515242
Energy: 0.5085015553018429
Energy: 0.5621701471971805
Energy: 0.5609789137825393
Energy: 0.5607437046255463
Energy: 0.5493679441710189
Energy: 0.5697615029535947
Energy: 0.5205867482173872
Energy: 0.5295552735521141
Energy: 0.5131964586066909
Energy: 0.5308835554317531
Energy: 0.6426556677051496
Energy: 0.5054551752420706
Energy: 0.5050570178017484
Energy: 0.5401545668122262
Energy: 0.5116008007166826
Energy: 0.541564283359263
Energy: 0.5172328933442732
Energy: 0.6474841368316261
Energy: 0.504462412242366
Energy: 0.5039330033928059
Energy: 0.5843253310125822
Energy: 0.5163286239499689
Energy: 0.5548598449066587
Energy: 0.5174629847604969
Energy: 0.5316987076349811
Energy: 0.5628173553542457
Energy: 0.5692250018690341
Energy: 0.5048856789151106
Energy: 0.5274726267396967
Energy: 0.5412333511609462
Energy: 0.5592691591571571
Energy: 0.5644051665878582
Energy: 0.5621146844899155
Energy: 0.5192612663073283
Energy: 0.5840302050769769
Energy: 0.5282275950607925
Energy: 0.5126255558934675
Energy: 0.5428802879593715
Energy: 0.5608866821565517
Energy: 0.5560676944278821
Energy: 0.5202725892879567
Energy: 0.5984236208832749
Energy: 0.542727474513499
Energy: 0.5647216841664912
Energy: 0.5592464106648536
Energy: 0.5612323754432751
Energy: 0.5642071426257151
Energy: 0.5591195992531258
Energy: 0.5948106302804439
Energy: 0.5312882292858419
Energy: 0.5630751820962516
Energy: 0.5432933231137204
Energy: 0.5193050096594852
Energy: 0.5709426727071298
Energy: 0.6204319470292537
Energy: 0.5205512210374514
Energy: 0.5130618613220187
Energy: 0.5516073063895437
Energy: 0.5189988443234431
Energy: 0.7198924307992043
Energy: 0.5492659320452223
Energy: 0.5039475022104428
Energy: 0.5199787904605774
Energy: 0.6310531126313157
Energy: 0.540220148558798
Energy: 0.5175019978905642
Energy: 0.6463307748057167
Energy: 0.5073317636305896
Energy: 0.5048060724666567
Energy: 0.5404582174700756
Energy: 0.5119640931985054
Energy: 0.5484947017461839
Energy: 0.6462124757905658
Energy: 0.5421016491071372
Energy: 0.5512645063451324
Energy: 0.5825219757719394
Energy: 0.5205734687820447
Energy: 0.5120559285486446
Energy: 0.5486102916219724
Energy: 0.601115259986953
Energy: 0.542243681882435
Energy: 0.5605185036298918
Energy: 0.5612414019659486
Energy: 0.5206208564079928
Energy: 0.6002788421162136
Energy: 0.5107812186757708
Energy: 0.559120984941862
Energy: 0.5658566349538614
Energy: 0.5623817115407462
Energy: 0.5199496059102968
Energy: 0.520532350243195
Energy: 0.5458221551803212
Energy: 0.5638360903593771
Energy: 0.5846060823405743
Energy: 0.560131595096895
Energy: 0.5626893870580645
Energy: 0.5616936390292998
Energy: 0.5438896884749213
Energy: 0.5387866052618825
Energy: 0.5466385870857072
Energy: 0.558726283828973
Energy: 0.5569673263652957
Energy: 0.5821626711944691
Energy: 0.5598417973127158
Energy: 0.5815907005927126
Energy: 0.5088153451722934
Energy: 0.562292523489166
Energy: 0.5618837551840932
Energy: 0.5605574884951082
Energy: 0.5494055835056858
Energy: 0.5698972496938025
Energy: 0.5207155210303107
Energy: 0.529719767655306
Energy: 0.5137816788150567
Energy: 0.5307335686359603
Energy: 0.6429730347932944
Energy: 0.5061671177700546
Energy: 0.5050396838084148
Energy: 0.5402205684628243
Energy: 0.5134990436667701
Energy: 0.5416283816039171
Energy: 0.5174872008110053
Energy: 0.5894467636732147
Energy: 0.5043754933954512
Energy: 0.5038579951591328
Energy: 0.5847666251436235

minimum gb energy = 0.5038579951591328 eV
minimum distance =  2.5724891756709 Angstroms
sigma value = 21


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

Energy: 0.6220264227851685
Energy: 0.710368455327385
Energy: 0.675568403353574
Energy: 0.686107327835535
Energy: 0.5464185335087938
Energy: 0.5929591078234543
Energy: 0.616241259100453
Energy: 0.567814635142425
Energy: 0.578555739400107
Energy: 0.6559562193042298
Energy: 0.5904724641860262
Energy: 0.649859411993573
Energy: 0.6333651989612865
Energy: 0.6219980132790228
Energy: 0.5453940034191843
Energy: 0.5622717361347846
Energy: 0.5375454930828337
Energy: 0.5344111799236105
Energy: 0.5807532440652605
Energy: 0.5754286929052218
Energy: 0.5905016854497467
Energy: 0.6332776273895855
Energy: 0.6616216791108211
Energy: 0.5360744830880324
Energy: 0.5753105226867704
Energy: 0.545333030666653
Energy: 0.509000592072707
Energy: 0.562592295426796
Energy: 0.503452570000799
Energy: 0.532361681437766
Energy: 0.5170517562074197
Energy: 0.5478719877935014
Energy: 0.5357113233758097
Energy: 0.6053136301503246
Energy: 0.4950141976068103
Energy: 0.4902774439388789
Energy: 0.5294693651580968
Energy: 0.5946468888282279
Energy: 0.6175051875471248
Energy: 0.5432948201267518
Energy: 0.6513232989699701
Energy: 0.5815936419287993
Energy: 0.4982323017684836
Energy: 0.6397392643975153
Energy: 0.5090592830973216
Energy: 0.5694627008286656
Energy: 0.49128141994079977
Energy: 0.49072242369340935
Energy: 0.5159979290750614
Energy: 0.546197032612464
Energy: 0.5023407297205315
Energy: 0.5376905713949134
Energy: 0.6404608983426979
Energy: 0.5320395028427228
Energy: 0.4960776625433928
Energy: 0.5525325633610434
Energy: 0.5051041339259066
Energy: 0.5563127366904574
Energy: 0.5936291684074881
Energy: 0.598930784088211
Energy: 0.6406990242413392
Energy: 0.626855854764482
Energy: 0.6274383436413259
Energy: 0.6335997332105322
Energy: 0.6496451519195087
Energy: 0.5202162900774597
Energy: 0.5613025047318658
Energy: 0.5709471424172039
Energy: 0.528049752798408
Energy: 0.6173431814257504
Energy: 0.5047965789424069
Energy: 0.6319453806836781
Energy: 0.5257178812870213
Energy: 0.6049961801044625
Energy: 0.5127065487930342
Energy: 0.5542910743284383
Energy: 0.6219235881808124
Energy: 0.5151557641697266
Energy: 0.6221180159208273
Energy: 0.6208423935076294
Energy: 0.6239849611357485
Energy: 0.6161191211120262
Energy: 0.6154479197522508
Energy: 0.6208826871958003
Energy: 0.6218024304077601
Energy: 0.5772561909306756
Energy: 0.6673701004814273
Energy: 0.6028012673780601
Energy: 0.6208098103752471
Energy: 0.5311597975616671
Energy: 0.6151849136425854
Energy: 0.6160865792717529
Energy: 0.5567482932379058
Energy: 0.5333468627618408
Energy: 0.5649799250576516
Energy: 0.5610652239425584
Energy: 0.5654078832044228
Energy: 0.628910811347431
Energy: 0.5462886659031831
Energy: 0.5572830684344332
Energy: 0.5807577081753706
Energy: 0.5257812248946307
Energy: 0.578353500161612
Energy: 0.6271679921957236
Energy: 0.6511357127390723
Energy: 0.6306316289758541
Energy: 0.6208044265703819
Energy: 0.5736466037343537
Energy: 0.6174316661523905
Energy: 0.5458878726512184
Energy: 0.5746195783280413
Energy: 0.6082033981817531
Energy: 0.5039269740082394
Energy: 0.5326250146901386
Energy: 0.5810607987156623
Energy: 0.5361474578380346
Energy: 0.555332253207832
Energy: 0.5774009744295961
Energy: 0.5318688194767033
Energy: 0.49413921269907474
Energy: 0.5331954419188455
Energy: 0.5990800987179287
Energy: 0.5883977453137447
Energy: 0.5429868180285887
Energy: 0.49703884119515856
Energy: 0.5835761076646253
Energy: 0.6122171122024247
Energy: 0.5418602664497943
Energy: 0.512223335253417
Energy: 0.5787986347474232
Energy: 0.4928452123660668
Energy: 0.4917457114658615
Energy: 0.5253843801243194
Energy: 0.5793835031474658
Energy: 0.5473242504366113
Energy: 0.5380511942399208
Energy: 0.579863523616391
Energy: 0.5320895960349892
Energy: 0.4992378270563162
Energy: 0.5701990657031127
Energy: 0.5092234055368304
Energy: 0.5363339955173311
Energy: 0.5945805108259988
Energy: 0.6262984888439583
Energy: 0.5970417791708922
Energy: 0.6303639399959691
Energy: 0.623571677395342
Energy: 0.5787730807370157
Energy: 0.5962633598711606
Energy: 0.5137977924447856
Energy: 0.5287035088399359
Energy: 0.5690188573123207
Energy: 0.612850753767621
Energy: 0.5779529678043696
Energy: 0.6312793565717458
Energy: 0.6153796660695295
Energy: 0.6346088852314311
Energy: 0.6596546628630595
Energy: 0.5658108599759659
Energy: 0.5309990172398715
Energy: 0.6111419474473752
Energy: 0.5459308472038524
Energy: 0.5867328931250918
Energy: 0.5533971313949778
Energy: 0.5196821955860735
Energy: 0.6157305405418866
Energy: 0.6168906680856527
Energy: 0.6175659135138903
Energy: 0.6189746842132904
Energy: 0.5664741561359223
Energy: 0.6120780493675151
Energy: 0.5585053005212876
Energy: 0.5656202421269427
Energy: 0.5803366746997152
Energy: 0.5577174902219436

minimum gb energy = 0.4902774439388789 eV
minimum distance =  2.59236022344389 Angstroms
sigma value = 113


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

Energy: 0.6114942449983357
Energy: 0.7442227691890916
Energy: 0.6661050553411663
Energy: 0.6866722269085214
Energy: 0.6418677872751144
Energy: 0.6447853804293812
Energy: 0.6996008299691655
Energy: 0.6371009009419046
Energy: 0.695959039286118
Energy: 0.6550999099405306
Energy: 0.6982663472045788
Energy: 0.6352427042278715
Energy: 0.6547424126539213
Energy: 0.6910143575832355
Energy: 0.6314460398420315
Energy: 0.6637181158177231
Energy: 0.6224304733778377
Energy: 0.631087591989197
Energy: 0.665150945898425
Energy: 0.6250172283130832
Energy: 0.6339380407934124
Energy: 0.6186728371984838
Energy: 0.6705687606948477
Energy: 0.6158701208919228
Energy: 0.6198588119625538
Energy: 0.6127374342876656
Energy: 0.6111202755511447
Energy: 0.6452400055785229
Energy: 0.6172852666311208
Energy: 0.6580729333981356
Energy: 0.6110861295100206
Energy: 0.639439497896084
Energy: 0.6364301123226109
Energy: 0.6188366142442335
Energy: 0.604353224509218
Energy: 0.5417345952216555
Energy: 0.6287652916671889
Energy: 0.6305242024293954
Energy: 0.6501953754895853
Energy: 0.5617633739378987
Energy: 0.5706654136306342
Energy: 0.6120499629708464
Energy: 0.616813188222432
Energy: 0.6171869098724282
Energy: 0.595094582856168
Energy: 0.5916046606185563
Energy: 0.5990506248725506
Energy: 0.5652612869724514
Energy: 0.6508202166284293
Energy: 0.5685739536349138
Energy: 0.5875887233652178
Energy: 0.6272009721917051
Energy: 0.6386699358547876
Energy: 0.6233144234386125
Energy: 0.6074474368133281
Energy: 0.6027458993734136
Energy: 0.5900611559338089
Energy: 0.6219325385671183
Energy: 0.6059308009085947
Energy: 0.5570277195106308
Energy: 0.5946794522191301
Energy: 0.6201653243707574
Energy: 0.6238245149925489
Energy: 0.5977647042669548
Energy: 0.6371677048191253
Energy: 0.617767044418449
Energy: 0.6325257037494526
Energy: 0.6183571977633044
Energy: 0.6035900434781473
Energy: 0.5783861026826254
Energy: 0.5998700263563745
Energy: 0.5794457796518515
Energy: 0.6685341391918299
Energy: 0.6072880590509959
Energy: 0.5652688397862125
Energy: 0.5920163570037029
Energy: 0.6261615721398804
Energy: 0.6285857056030897
Energy: 0.6128868457853508
Energy: 0.6253967409872947
Energy: 0.6062704890606607
Energy: 0.6184434277695565
Energy: 0.5922062540027828
Energy: 0.6481200848792142
Energy: 0.5844606564168794
Energy: 0.6074014230362854
Energy: 0.5849462500851079
Energy: 0.5901032484726045
Energy: 0.6109640346313258
Energy: 0.6170091846194726
Energy: 0.6081114328709188
Energy: 0.6274437574196262
Energy: 0.6121325281261828
Energy: 0.6163877324718833
Energy: 0.6147518309332506
Energy: 0.5898597198219904
Energy: 0.5979332141603184
Energy: 0.6327840875649892
Energy: 0.5605751345457178
Energy: 0.625727929005067
Energy: 0.6202526065291353
Energy: 0.6133140797052353
Energy: 0.6454500136982843
Energy: 0.588499516764485
Energy: 0.6202230683006043
Energy: 0.6096832512085218
Energy: 0.575700737090323
Energy: 0.6429717247278524
Energy: 0.6299844588426655
Energy: 0.6323938654500104
Energy: 0.6195777948327025
Energy: 0.6439556443002192
Energy: 0.6040482934804456
Energy: 0.6567059717765722
Energy: 0.6068766366426916
Energy: 0.6336848107476296
Energy: 0.6031588485098451
Energy: 0.6016759396154879
Energy: 0.62622672860653
Energy: 0.5731240628100841
Energy: 0.6312794110651856
Energy: 0.5746311927445243
Energy: 0.6128925740102046
Energy: 0.6127629936574631
Energy: 0.6161577843626252
Energy: 0.6566704633563677
Energy: 0.6312769836569494
Energy: 0.6603837776585906
Energy: 0.6568240420054583
Energy: 0.6235091914550335
Energy: 0.6586745891695818
Energy: 0.6753633876886658
Energy: 0.646856884287677
Energy: 0.6183825768119091
Energy: 0.6887415279668617
Energy: 0.6218574221607949
Energy: 0.6594197425442873
Energy: 0.6054787613069675
Energy: 0.6539689137964302
Energy: 0.6658751791594821
Energy: 0.634697687397072
Energy: 0.652548785854371
Energy: 0.6539753894861711
Energy: 0.6723601605480028
Energy: 0.6397436737108414
Energy: 0.6102938364410584
Energy: 0.6843657432159697
Energy: 0.6438923189018689
Energy: 0.6660724208737951
Energy: 0.6503645992825249
Energy: 0.6564274078427023
Energy: 0.6457465493483182
Energy: 0.6109769957200097
Energy: 0.6667160340513785
Energy: 0.6109299989560764
Energy: 0.6568763942938666
Energy: 0.6645433486403696
Energy: 0.6627195035228157
Energy: 0.6421036243506619
Energy: 0.6467844813002509
Energy: 0.6847822437582084
Energy: 0.6637264747730502
Energy: 0.690477404317585
Energy: 0.6484566463192466
Energy: 0.6285233389474136
Energy: 0.6521299227813949
Energy: 0.6161679395826413
Energy: 0.6655125217365898
Energy: 0.5766235551688872
Energy: 0.6694520035244315
Energy: 0.6214460451830064
Energy: 0.6575628299201974
Energy: 0.6249850767682757
Energy: 0.6252802165792377
Energy: 0.6469391922094253
Energy: 0.6199890008094092
Energy: 0.6536142897760168
Energy: 0.6174249053305054
Energy: 0.621250464094319
Energy: 0.61524842858495
Energy: 0.6122439823703321
Energy: 0.6447193439946101
Energy: 0.6248236030498471
Energy: 0.6587819056713152
Energy: 0.6232645114348144
Energy: 0.6175877352565696
Energy: 0.6361296730816072
Energy: 0.6198029430330162
Energy: 0.6075882342757113
Energy: 0.5418327578893937
Energy: 0.6287396508624931
Energy: 0.630066902939585
Energy: 0.6500156447677464
Energy: 0.6072784879384997
Energy: 0.5714892069143418
Energy: 0.6112717404729429
Energy: 0.6061553099426279
Energy: 0.617030067216974
Energy: 0.5959537816647617
Energy: 0.6231372452899466
Energy: 0.5999424074820608
Energy: 0.5666222920389073
Energy: 0.6422109038805548
Energy: 0.5530888189585748
Energy: 0.582742568499675
Energy: 0.5921356488687382
Energy: 0.6255427745145475
Energy: 0.633542431260734
Energy: 0.5811274676193492
Energy: 0.6108202976903901
Energy: 0.5931538227022677
Energy: 0.6215355534093835
Energy: 0.6052430729572149
Energy: 0.6247460172762361
Energy: 0.5913648698590315
Energy: 0.6267832100933295
Energy: 0.633033440148945
Energy: 0.6327615988217878
Energy: 0.6380165802678135
Energy: 0.6569006686744767
Energy: 0.6335197581203198
Energy: 0.608778180749867
Energy: 0.6049884979077098
Energy: 0.5882469919543991
Energy: 0.5994527475412165
Energy: 0.5975944174461623
Energy: 0.6597648052163152
Energy: 0.6064756723917845
Energy: 0.602354250675937
Energy: 0.5862342868656882
Energy: 0.6267665121822575
Energy: 0.508219088019892
Energy: 0.6130946600918343
Energy: 0.6261709597865004
Energy: 0.6048642091374503
Energy: 0.5920872872231235
Energy: 0.5921708745269259
Energy: 0.6532642628519946
Energy: 0.6202214534584172
Energy: 0.573294903318753
Energy: 0.6093177715958746
Energy: 0.5853942355526951
Energy: 0.6147894875606225
Energy: 0.6258026140877886
Energy: 0.6067571720665399
Energy: 0.624421418988733
Energy: 0.623597426407273
Energy: 0.6170596638823574
Energy: 0.6154897695934972
Energy: 0.6114649867149962
Energy: 0.5963288197866682
Energy: 0.6319274453972491
Energy: 0.5602655881885859
Energy: 0.6255785592377102
Energy: 0.6207755189391175
Energy: 0.577268106454601
Energy: 0.6518383965822433
Energy: 0.5878791968512588
Energy: 0.619281691397784
Energy: 0.6113931991447948
Energy: 0.6061286452443876
Energy: 0.584112552056025
Energy: 0.5900862487354865
Energy: 0.633202235200904
Energy: 0.6184175680559147
Energy: 0.647775496368844
Energy: 0.6036625756228554
Energy: 0.6562420659592236
Energy: 0.5979482922287808
Energy: 0.6234670735761938
Energy: 0.6078043302163112
Energy: 0.5740204516467745
Energy: 0.6147253929757278
Energy: 0.5736022141749123
Energy: 0.6094180305560473
Energy: 0.5758754674109705
Energy: 0.612986602964275
Energy: 0.646886111360353
Energy: 0.6215158226125094
Energy: 0.6280322582735614
Energy: 0.6318099188014227
Energy: 0.6580168379893049
Energy: 0.6378765108698565
Energy: 0.628425580312107
Energy: 0.6854927807108079
Energy: 0.6536629437255015
Energy: 0.657517398568375
Energy: 0.621250194409898
Energy: 0.7075020100139812
Energy: 0.6205540523711567
Energy: 0.6587468548895699
Energy: 0.6172926090475519
Energy: 0.6437067951786398
Energy: 0.687841842182964
Energy: 0.6359251439934136
Energy: 0.6691543747052856
Energy: 0.6563305369257691
Energy: 0.6469107704968996
Energy: 0.6457022969031875
Energy: 0.6112648557741946
Energy: 0.6762749363329625
Energy: 0.6415537030236959
Energy: 0.6586999294954109
Energy: 0.6587208950384037
Energy: 0.6961248842565129
Energy: 0.6399243456482016
Energy: 0.610393156088955
Energy: 0.6852379884928443
Energy: 0.6111114177666982
Energy: 0.6406218102502779
Energy: 0.6648300285750965
Energy: 0.6639372134535606
Energy: 0.6305652438328099
Energy: 0.6408258638239651
Energy: 0.6669797295654958

minimum gb energy = 0.508219088019892 eV
minimum distance =  2.5208675070748 Angstroms
sigma value = 365


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

Energy: 0.5630091870614647
Energy: 1.3041146832901107
Energy: 0.5697709897494785
Energy: 0.5684148044898822
Energy: 0.5684143707804413
Energy: 0.5691371802104292
Energy: 0.5706666430496333
Energy: 0.5131507087370634
Energy: 0.6704550207868016
Energy: 0.5147527186569922
Energy: 0.46821803152831853
Energy: 0.5146384042820403
Energy: 0.5159190171850342
Energy: 0.6689985567100096
Energy: 0.5119311530175404
Energy: 1.281377000296731
Energy: 0.5142136852845536
Energy: 0.5223556880169459
Energy: 0.5206220727448648
Energy: 0.5152454297715402
Energy: 0.46900856718063766
Energy: 0.5120583028275465
Energy: 6.554065533070002
Energy: 0.5143408028398476
Energy: 0.5148266189454537
Energy: 0.5217443866074655
Energy: 0.515483781200787
Energy: 0.5712574130388172
Energy: 0.515285702996447
Energy: 1.356893852827718
Energy: 0.5163833732691381
Energy: 0.6665537363333229
Energy: 0.46744790138066544
Energy: 0.5171961422929806
Energy: 0.667956502281687
Energy: 0.5134474545951607
Energy: 9.593400792406928
Energy: 0.5131677178507147
Energy: 0.5687748425595798
Energy: 0.5687748230745832
Energy: 0.5135358937733847
Energy: 0.5712874976007922
Energy: 0.5122600891036497
Energy: 6.631143219345703
Energy: 0.5142693520562586
Energy: 0.5224859858884384
Energy: 0.5204109266266145
Energy: 0.51530993693415
Energy: 0.6699676039121496
Energy: 0.5116697035185154
Energy: 6.523070897857129
Energy: 0.5142540601031222
Energy: 0.5220119688095323
Energy: 0.5203608165529501
Energy: 0.5151308079000992
Energy: 6.24560066851811
Energy: 0.512845843425644
Energy: 6.791796871720029
Energy: 0.5151703032507032
Energy: 0.5693943240521304
Energy: 0.5692621125894082
Energy: 0.5128079994764247
Energy: 0.5719239152778735
Energy: 0.5150924916276299
Energy: 1.2199674186195877
Energy: 0.5159795845915454
Energy: 0.6664551005413875
Energy: 0.6658169889332051
Energy: 0.5170451194891066
Energy: 0.6677058763351019
Energy: 0.512195205969468
Energy: 1.2978908426129454
Energy: 0.5149636131350922
Energy: 0.5698996679232278
Energy: 0.5705620803957164
Energy: 0.516022760509477
Energy: 0.571603601719224
Energy: 0.5118211021598378
Energy: 9.087225653470574
Energy: 0.5140961840076244
Energy: 0.5224398550718666
Energy: 0.5200835501229701
Energy: 0.5153639562945028
Energy: 9.264618607422639
Energy: 0.5124860165912024
Energy: 0.6701730516883498
Energy: 0.5144988174725987
Energy: 0.5134308745882914
Energy: 0.5209128755061595
Energy: 0.5155633890773106
Energy: 0.6700278951329761
Energy: 0.5120541295961066
Energy: 1.3590704331433445
Energy: 0.5130710876628389
Energy: 0.5684334107425858
Energy: 0.5682975948736108
Energy: 0.5700940478417429
Energy: 0.570892851045954
Energy: 0.5144607478891743
Energy: 0.6695751013418167
Energy: 0.5166133044330373
Energy: 0.4679498826502607
Energy: 0.5146161355536696
Energy: 0.5166992747570208
Energy: 0.6682260870675679
Energy: 0.5117645861778702
Energy: 1.3877050082933902
Energy: 0.5141041342368967
Energy: 0.5125897002800581
Energy: 0.5211868973282459
Energy: 0.5156963857164428
Energy: 0.5220762144414006
Energy: 0.5119034954540337
Energy: 1.3404675871110399
Energy: 0.5143204409194793
Energy: 0.5229055788793772
Energy: 0.5207013659409655
Energy: 0.5154845248282794
Energy: 0.571124328094645
Energy: 0.5147046280281624
Energy: 0.6700048139437338
Energy: 0.5152240681480821
Energy: 0.5146142776869789
Energy: 0.46718359076259375
Energy: 0.5163227570490744
Energy: 0.6684258618170026
Energy: 0.5143506388439367
Energy: 1.3473488362256398
Energy: 0.5132138508704859
Energy: 0.5685183148938044
Energy: 0.5681914902598932
Energy: 0.5691932693643134
Energy: 0.5706293657194706
Energy: 0.5121956103340859
Energy: 0.6706638291001021
Energy: 0.5144808250939105
Energy: 0.4681748585944015
Energy: 0.513767230970709
Energy: 0.5158970529259616
Energy: 0.6693738434290455

minimum gb energy = 0.46718359076259375 eV
minimum distance =  2.55923492382176 Angstroms
sigma value = 23