Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
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=4.05000014603138
cohesive_energy=3.3602642414071076
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=[1.6808435067293999e-19, 2.3534532794489397e-19, 2.86969061269008e-19, 3.26733483148254e-19, 3.5886833989639197e-19, 3.86874387458712e-19, 4.1120504182263594e-19, 4.3076441417050794e-19, 4.4647856259678e-19, 4.59763811245908e-19, 4.71501357266592e-19, 4.82099755700502e-19, 4.916855785017239e-19, 5.00278051789866e-19, 5.07936456100386e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25683766675204e-19, 5.29857436806774e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.9780764080912797e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64586653692028e-19, 1.9631950949392198e-19, 1.1272962862123018e-19, 9.6846770995398e-21, -1.2084962002000559e-19, -2.82957210977472e-19, -4.77051297126768e-19, -7.17836014744092e-19, -1.04407442531244e-18, -1.517576901194898e-18, -2.23651040693328e-18, -3.46289651142858e-18, -5.8276291143808794e-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: 0.01264522752470643
Energy: 0.32056927391381324
Energy: 0.4640486514060869
Energy: 0.523421068892956
Energy: 0.5249131157838219
Energy: 0.19206127927893732
Energy: 0.014303216130952482
Energy: 0.06685587695988819
Energy: 0.42119434567052344
Energy: 0.1613487318476143
Energy: 0.3190719978188046
Energy: 0.42148259916866565
Energy: 0.012933843842524845
Energy: 0.06725954692808844
Energy: 0.01298332189713471
Energy: 0.4223483789460508
Energy: 0.1791157416695907
Energy: 0.3189782723873944
Energy: 0.421210466952633
Energy: 0.06694906057119263
Energy: 0.06870638704449082
Energy: 0.01428498891557238
Energy: 0.32438491234281625
Energy: 0.3189936158674171
Energy: 0.5236512540704357
Energy: 0.5256623306246919
Energy: 0.06703897567199862
Energy: 0.01408264662527842
Energy: 0.06690360250681009
Energy: 0.5251343909013549
Energy: 0.1614143694156662
Energy: 0.32091501996200367
Energy: 0.31942627015869607
Energy: 0.013114106687179501
Energy: 0.0669114862907035
Energy: 0.012926280359396148
Energy: 0.3638717809836656
Energy: 0.2578763743740192
Energy: 0.31923101779881846
Energy: 0.4206399516210241
Energy: 0.06690459453726809
Energy: 0.06852480274072828

minimum gb energy = 0.01264522752470643 eV
minimum distance =  2.83605027842356 Angstroms
sigma value = 5


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

Energy: 0.6296234786070403
Energy: 0.7683978302767324
Energy: 0.6238752475961844
Energy: 0.5750682143098579
Energy: 0.6556698598160783
Energy: 0.6222733550004251
Energy: 0.676725077360279
Energy: 0.5423005224830062
Energy: 0.6378584717915312
Energy: 0.5484687491083243
Energy: 0.6520535751809736
Energy: 0.6269790698713621
Energy: 0.6124429468263553
Energy: 0.6426915841938268
Energy: 0.5591480288633622
Energy: 0.6835557902741299
Energy: 0.6341395714797786
Energy: 0.6441568072300318
Energy: 0.6648502396643916
Energy: 0.6724243186901084
Energy: 0.6678034840026814
Energy: 0.5329612182967651
Energy: 0.672826238632549
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Energy: 0.6205218469349943
Energy: 0.5825163562313731
Energy: 0.692357989257608
Energy: 0.6267027223990628
Energy: 0.6676620730823907
Energy: 0.5713744493593829
Energy: 0.6477403330677702
Energy: 0.5865440823222471
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Energy: 0.6728041724159097
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Energy: 0.6259032083748547
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Energy: 0.6361424654472386
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Energy: 0.570596749606311
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Energy: 0.5770191169601923
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Energy: 0.6410954774529134
Energy: 0.6299132238931852
Energy: 0.711454981888802
Energy: 0.6399161220288132
Energy: 0.6225751265371956
Energy: 0.6127073410555446
Energy: 0.6090422404347939
Energy: 0.6471259377579688
Energy: 0.5349234391970847
Energy: 0.6500031231066936
Energy: 0.5928574106003961
Energy: 0.6162899909109849
Energy: 0.6265033155061064
Energy: 0.5985703718609295
Energy: 0.6787571913770777
Energy: 0.6530344916849917
Energy: 0.6569152075884248
Energy: 0.624433061767246
Energy: 0.6668229685414839
Energy: 0.6808277830614453
Energy: 0.6496183580961844
Energy: 0.6320130521166603
Energy: 0.5548498074851065
Energy: 0.6508570395236479
Energy: 0.5687933031758972
Energy: 0.6821240012767849
Energy: 0.6525356039114018
Energy: 0.5664192277682396
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Energy: 0.5705276632278354
Energy: 0.6598958035648625
Energy: 0.5968982288994624
Energy: 0.6403074361079321

minimum gb energy = 0.5329612182967651 eV
minimum distance =  2.55532324739184 Angstroms
sigma value = 401


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

Energy: 0.6029789229413304
Energy: 0.6955246886497654
Energy: 0.6350040702945939
Energy: 0.5541829932696022
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Energy: 0.5508157547776887
Energy: 0.6324368459574548
Energy: 0.6136994223076837
Energy: 0.6206813196629712
Energy: 0.5361630879898949
Energy: 0.5852909348873645
Energy: 0.5586729115738239
Energy: 0.5573922025214726
Energy: 0.5985630055891883
Energy: 0.6423161546376481
Energy: 0.6616089364335829
Energy: 0.6061885918983579
Energy: 0.5765800349367787
Energy: 0.6096242592598168
Energy: 0.5748141693377471
Energy: 0.6606187348021243
Energy: 0.5617563991838644
Energy: 0.5953874730018271
Energy: 0.5792872671391367
Energy: 0.5874292025223262
Energy: 0.6943236280116367
Energy: 0.6147152990633754
Energy: 0.6089489804575442
Energy: 0.5664081727113311
Energy: 0.596767833452485
Energy: 0.5776538572032661
Energy: 0.6017564954342552
Energy: 0.6474965764030556
Energy: 0.5754003299187358
Energy: 0.5946100415757264
Energy: 0.5576146191870456
Energy: 0.5575083922181777
Energy: 0.5764617493787658
Energy: 0.5875634071528368
Energy: 0.6262020852359441
Energy: 0.5561498960978176
Energy: 0.5879388308441722
Energy: 0.555944578992456
Energy: 0.5719756545475266
Energy: 0.6207245519961144
Energy: 0.5684350971025942
Energy: 0.6371209477398615
Energy: 0.6100901964204051
Energy: 0.58784377907621
Energy: 0.568126837010897
Energy: 0.5746265204208042
Energy: 0.5609453427213901
Energy: 0.5962650644475248
Energy: 0.5774703121921507
Energy: 0.5964469637138141
Energy: 0.6240869250784142
Energy: 0.6521481125222639
Energy: 0.6567497496644845
Energy: 0.6028238991273271
Energy: 0.6444210172498465
Energy: 0.6018301240053768
Energy: 0.6356768174273278
Energy: 0.6302851280534012
Energy: 0.583147409026
Energy: 0.6409754623070927
Energy: 0.5689289266584928
Energy: 0.579301383168396
Energy: 0.5686064937941055
Energy: 0.6090075163708271
Energy: 0.6275702533034693
Energy: 0.6262950386142228
Energy: 0.6302218660794152
Energy: 0.6098940634491327
Energy: 0.5795288358493265
Energy: 0.5700689504623021
Energy: 0.6807219518983787
Energy: 0.5839855201203288
Energy: 0.5792073248531161
Energy: 0.6368910853946034
Energy: 0.5449723049615001
Energy: 0.5505886306285446
Energy: 0.5548822558696515
Energy: 0.5562966004404689
Energy: 0.6427799111399987
Energy: 0.645937901112325
Energy: 0.6809389436587824
Energy: 0.5898959486005851
Energy: 0.6305807893431677
Energy: 0.6078053300427566
Energy: 0.5758066135530108
Energy: 0.6450933468378421
Energy: 0.564269952475105
Energy: 0.6100813070680494
Energy: 0.6413074579989919
Energy: 0.5883654265378286
Energy: 0.6568413857273732
Energy: 0.5989626001145888
Energy: 0.606736222800004
Energy: 0.5521699766212042
Energy: 0.5936967639340808
Energy: 0.5634039187277918
Energy: 0.6015291727829393
Energy: 0.6724304269699111
Energy: 0.5996305023385211
Energy: 0.599350085267261
Energy: 0.5641303165178201
Energy: 0.5606002113510374
Energy: 0.5506286743370125
Energy: 0.5803398054666603
Energy: 0.6863220041855972
Energy: 0.5742712415437125
Energy: 0.5521283534987593

minimum gb energy = 0.5361630879898949 eV
minimum distance =  2.56345373707743 Angstroms
sigma value = 311


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

Energy: 0.6213702584627008
Energy: 0.589656377255723
Energy: 0.5928384400449682
Energy: 0.6088854987598386
Energy: 0.6338824442988135
Energy: 0.5887471923097506
Energy: 0.5743574063708943
Energy: 0.5730258426167403
Energy: 0.5857207317889526
Energy: 0.5810434089297453
Energy: 0.5828032609966584
Energy: 0.5656568773954392
Energy: 0.6098269398880447
Energy: 0.6644539349109501
Energy: 0.5798239198606042
Energy: 0.6616230820456871
Energy: 0.6330901497081977
Energy: 0.5990778554427464
Energy: 0.5768473667690165
Energy: 0.5689793056537967
Energy: 0.6317367738001143
Energy: 0.5707852860434887
Energy: 0.6590215942177557
Energy: 0.5749445587935228
Energy: 0.6464464873470309
Energy: 0.5753222418187924
Energy: 0.5622058690645246
Energy: 0.6029607126325042
Energy: 0.5772744462159554
Energy: 0.612320783795949
Energy: 0.5858575654231195
Energy: 0.6787696697117951
Energy: 0.5959421084376539
Energy: 0.5728789450549476
Energy: 0.595392641805291
Energy: 0.557363508691826
Energy: 0.592153031447726
Energy: 0.5744679190269187
Energy: 0.5982311302121113
Energy: 0.5750650111013793
Energy: 0.5417318966506024
Energy: 0.5991758383452966
Energy: 0.5918406296315808
Energy: 0.6194743929082028
Energy: 0.5964363914015829
Energy: 0.6078378417176868
Energy: 0.6392440262120104
Energy: 0.623638741311647
Energy: 0.5829043638931443
Energy: 0.595188475795684
Energy: 0.5964126806703075
Energy: 0.5599764445666282
Energy: 0.6012070825043013
Energy: 0.5944556531755166
Energy: 0.5957831085695215
Energy: 0.6370552897599722
Energy: 0.5906235428324186
Energy: 0.5714995431657234
Energy: 0.5998987106289759
Energy: 0.6075120198009859
Energy: 0.6653167104677874
Energy: 0.5484144909986648
Energy: 0.6181144759797433
Energy: 0.5529043723771739
Energy: 0.6128707364365272
Energy: 0.5738480390091317
Energy: 0.6244195028653104
Energy: 0.5857630531105879
Energy: 0.5684354373929168
Energy: 0.581734856274272
Energy: 0.5822755397177889
Energy: 0.5889338930549768
Energy: 0.5732471861418189
Energy: 0.6001347473822382
Energy: 0.5930016661058204
Energy: 0.6165160051612171
Energy: 0.5952352458303565
Energy: 0.5768623074843787
Energy: 0.6008613492673404
Energy: 0.5691287807541797
Energy: 0.6116273072500708
Energy: 0.5860675371792605
Energy: 0.5624224431920146
Energy: 0.6181153842215045
Energy: 0.5982999310991644
Energy: 0.5954076073800747
Energy: 0.598919182300999
Energy: 0.5912624335833263
Energy: 0.6139353676099366
Energy: 0.5943418240667957
Energy: 0.6563527437450204
Energy: 0.6030617061066907
Energy: 0.5938747641403646
Energy: 0.575329653685287
Energy: 0.6026837695666953
Energy: 0.6267135114289621
Energy: 0.6026390143034828
Energy: 0.6662686555372908
Energy: 0.5732563892854414
Energy: 0.6214416619055279
Energy: 0.6004434739317952
Energy: 0.614752828598577
Energy: 0.5985420928126609
Energy: 0.5495541504920188
Energy: 0.6160812600136134
Energy: 0.5611201854313402
Energy: 0.61273835447066
Energy: 0.6164362125109226
Energy: 0.5854285389277452
Energy: 0.5950093471642016
Energy: 0.5622624415859143
Energy: 0.5728784930641482
Energy: 0.5747968369382911
Energy: 0.6068242566911637
Energy: 0.5941077898234115
Energy: 0.6404785568239478
Energy: 0.5962182069270151
Energy: 0.6351164497244084
Energy: 0.5857018245847676
Energy: 0.5613161372491721
Energy: 0.6013400707546877
Energy: 0.5623149139093857
Energy: 0.5953574615611658
Energy: 0.5885444430979887
Energy: 0.5610268358540138
Energy: 0.5985939333066679
Energy: 0.5939648399936007
Energy: 0.5964057130358615
Energy: 0.5971155713419908
Energy: 0.5980101988266089
Energy: 0.6140258098256693
Energy: 0.6178848521424316
Energy: 0.6374488249653849
Energy: 0.5855151742203587
Energy: 0.597228365418775
Energy: 0.5978719405096188
Energy: 0.584698552841195
Energy: 0.6393172270782191
Energy: 0.6096047330667589
Energy: 0.6415298266543519
Energy: 0.5818279038647377
Energy: 0.6124995948242825
Energy: 0.5813281391786069
Energy: 0.5951360148126289
Energy: 0.5883394137430428
Energy: 0.5920650344114258
Energy: 0.6107858271244923
Energy: 0.5661350073513787
Energy: 0.6049552280145187
Energy: 0.5763968470099323
Energy: 0.6058205616571571
Energy: 0.5843633925642794
Energy: 0.5602736231715827
Energy: 0.5806755699339828
Energy: 0.6226018042293174
Energy: 0.6396055304967608
Energy: 0.5915087076920627
Energy: 0.6696855641594449
Energy: 0.5777624078576142
Energy: 0.6186250908023456
Energy: 0.5756285801483028
Energy: 0.5779051652824553
Energy: 0.6165721922653712
Energy: 0.5547365187726754
Energy: 0.5783771575596977
Energy: 0.574344350891526
Energy: 0.5697524776445051
Energy: 0.584059106538059
Energy: 0.5891509100437868
Energy: 0.6440126273000102
Energy: 0.5963414101916407
Energy: 0.5968962813114191
Energy: 0.5865613975836946
Energy: 0.5890043930150164
Energy: 0.6323494828861514
Energy: 0.5860223393087796
Energy: 0.590726793611543
Energy: 0.6052124156758085
Energy: 0.5958708311757607
Energy: 0.633940436968573
Energy: 0.5907613240922067
Energy: 0.6449074603941528
Energy: 0.5701714225076262
Energy: 0.6151530215452253
Energy: 0.5760219909679557
Energy: 0.6001115017868186
Energy: 0.6281539309852925
Energy: 0.5724467085808538
Energy: 0.6523153080946611
Energy: 0.5822287050790986
Energy: 0.5852661242334072
Energy: 0.5756164148673714
Energy: 0.5812686967116798
Energy: 0.591825371682924
Energy: 0.5593722505180707
Energy: 0.5949052112714759
Energy: 0.5782373985694252
Energy: 0.5984888505956297
Energy: 0.5870391858499043
Energy: 0.6323733449661054
Energy: 0.5709259277118762
Energy: 0.6230467623004678
Energy: 0.6256037007379099
Energy: 0.5875257599456272
Energy: 0.6301940705529137
Energy: 0.5923157111135897
Energy: 0.6078812450295374
Energy: 0.6104082954738899
Energy: 0.5718925361939147
Energy: 0.6108523427563752
Energy: 0.5949469648749223
Energy: 0.5817863662005723
Energy: 0.6012785744058027
Energy: 0.6077330988062797
Energy: 0.5806492408355114
Energy: 0.5422870252667096
Energy: 0.633627060320087
Energy: 0.5859795116307887
Energy: 0.6299568575535134
Energy: 0.5751883922446197
Energy: 0.5966580730704713
Energy: 0.6184759098395907
Energy: 0.5927322210070796
Energy: 0.6570704093723125
Energy: 0.5728494794366726
Energy: 0.6360440478157698
Energy: 0.5870981126503232
Energy: 0.6294764850920046
Energy: 0.6283174833876051
Energy: 0.5542814241504003
Energy: 0.635636478114942
Energy: 0.5777859776390192
Energy: 0.6259279112912105
Energy: 0.5912804110750671
Energy: 0.6225108720799836
Energy: 0.6055656185244991
Energy: 0.5558481786258207
Energy: 0.5914622483110712
Energy: 0.5650632347297919
Energy: 0.5839074517988521
Energy: 0.5781075810491856
Energy: 0.6420384880128526
Energy: 0.5898510354089249
Energy: 0.6547651049713226
Energy: 0.6168653549498727
Energy: 0.5937657853081152
Energy: 0.5995960891826
Energy: 0.5943561888496736
Energy: 0.599753793127863
Energy: 0.6025532848956042
Energy: 0.5748727851835527
Energy: 0.6123050506055904

minimum gb energy = 0.5417318966506024 eV
minimum distance =  2.53305391500309 Angstroms
sigma value = 39


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

Energy: 0.5178494698676428
Energy: 0.6976539892279179
Energy: 0.5615110642453622
Energy: 0.6209380810672059
Energy: 0.5784797941460883
Energy: 0.5787541176784922
Energy: 0.5065046000847064
Energy: 0.5316952907194998
Energy: 0.5669408602991243
Energy: 0.5759512168758485
Energy: 0.5695235114692762
Energy: 0.5772573889631617
Energy: 0.5336074597189233
Energy: 0.7038655957744288
Energy: 0.5326722036382785
Energy: 0.5450359422772791
Energy: 0.5726841641547797
Energy: 0.5886418811688238
Energy: 0.5755628457523677
Energy: 0.532660114894673
Energy: 0.5322006834257713
Energy: 0.5483354366881593
Energy: 0.5793432262325006
Energy: 0.5845951701540759
Energy: 0.585454731269106
Energy: 0.5916545236701567
Energy: 0.5787294392897706
Energy: 0.6392324938584711
Energy: 0.5447368758384736
Energy: 0.554868326559678
Energy: 0.5735201618420132
Energy: 0.5617827226559841
Energy: 0.636061842752197
Energy: 0.5902972418216856
Energy: 0.5318063694331094
Energy: 0.49710011428507644
Energy: 0.5534697991522277
Energy: 0.5505582086705707
Energy: 0.5931045688483357
Energy: 0.580462673434583
Energy: 0.5324914003979682
Energy: 0.5321432175014638
Energy: 0.5448299774525087
Energy: 0.5537150187263616
Energy: 0.5492289284627533
Energy: 0.7098948796931182
Energy: 0.5072559863676739
Energy: 0.5080578241237663
Energy: 0.542442785666688
Energy: 0.49599624353352395
Energy: 0.5797217568167659
Energy: 0.6830607476026193
Energy: 0.592302211999728
Energy: 0.5930422306496268
Energy: 0.5792512466834678
Energy: 0.5324087562618085
Energy: 0.4967302754909709
Energy: 0.5795452684990792
Energy: 0.6813105801099787
Energy: 0.552193549646965
Energy: 0.5694038499407992
Energy: 0.5796541008090956
Energy: 0.5323462684906994
Energy: 0.5838312996772104
Energy: 0.5857381450752873
Energy: 0.5782962470498677
Energy: 0.5933300655851024
Energy: 0.5760525081932971
Energy: 0.5325504898579485
Energy: 0.5324511390395629
Energy: 0.5440206298326108
Energy: 0.5497639617740057
Energy: 0.5794982648534236
Energy: 0.5456393123487
Energy: 0.5784361605239704
Energy: 0.5465696552658879
Energy: 0.5772075819870517
Energy: 0.5481921404742148
Energy: 0.5577916262912
Energy: 0.5765881369566445
Energy: 0.5698660300450031
Energy: 0.5704798889048653
Energy: 0.5700724315462038
Energy: 0.5473963585960967
Energy: 0.5092252512109715
Energy: 0.5768519267275017
Energy: 0.6071207040448646
Energy: 0.5813798636761316
Energy: 0.5919257756876307
Energy: 0.5759514569970657
Energy: 0.5322123035536592
Energy: 0.5696956463910593
Energy: 0.5450586307214337
Energy: 0.5638848852715449
Energy: 0.6389758096914547
Energy: 0.5067240216518378
Energy: 0.5068002277330284
Energy: 0.5431841542243384
Energy: 0.4967628939424813
Energy: 0.5850853339893903
Energy: 0.5493231303829146
Energy: 0.6448961133163917
Energy: 0.5067617011329602
Energy: 0.49711377269484036
Energy: 0.5334287870724057
Energy: 0.5178881999058214
Energy: 0.5776818291124485
Energy: 0.5486540720119595
Energy: 0.562111252706953
Energy: 0.5777798736547829
Energy: 0.5799666896970155
Energy: 0.5065952787128537
Energy: 0.5317112403463311
Energy: 0.5683205397020952
Energy: 0.5758340737067396
Energy: 0.5697379319640019
Energy: 0.5773873285849103
Energy: 0.533304486814771
Energy: 0.6895051222584787
Energy: 0.533048171750356
Energy: 0.5450245139559183
Energy: 0.5726774765324896
Energy: 0.5881927204591629
Energy: 0.5756195678569153
Energy: 0.5326181315199718
Energy: 0.5342995000021437
Energy: 0.5480711254151109
Energy: 0.5786706968855088
Energy: 0.5767295048278207
Energy: 0.5782301556936988
Energy: 0.5917422949290094
Energy: 0.5776886557780964
Energy: 0.638929607068948
Energy: 0.5448767231102758
Energy: 0.5544805951161228
Energy: 0.5726200183191164
Energy: 0.5618884543107684
Energy: 0.6362825372025901
Energy: 0.5927150107147546
Energy: 0.5320976662941336
Energy: 0.4968353482672466
Energy: 0.5540303744244125
Energy: 0.5505017194695228
Energy: 0.5932196915878465
Energy: 0.5812711678219007
Energy: 0.49751997611258497
Energy: 0.5322919294268198
Energy: 0.5676018104600942
Energy: 0.5525257291962675
Energy: 0.5495919584898905
Energy: 0.641146600882991
Energy: 0.5078872933827324
Energy: 0.5082930164864863
Energy: 0.5424966250318041
Energy: 0.4964393443586803
Energy: 0.5820050597024687
Energy: 0.686749336470797
Energy: 0.5948436926293155
Energy: 0.5925902679773384
Energy: 0.5804548053393723
Energy: 0.5324334269840786
Energy: 0.49692393757979486
Energy: 0.5796315286589455
Energy: 0.6811689029806581
Energy: 0.5520274464153103
Energy: 0.5696717803721817
Energy: 0.5792378357177456
Energy: 0.5321728890334927
Energy: 0.5839316975427317
Energy: 0.5562691162504745
Energy: 0.578549463799466
Energy: 0.593117867195774
Energy: 0.5760159083676211
Energy: 0.5326210631909234
Energy: 0.5325128677480366
Energy: 0.5437654692408908
Energy: 0.5499461566228131
Energy: 0.5870538057452861
Energy: 0.5458643891834132
Energy: 0.5807144928592075
Energy: 0.5785926153323964
Energy: 0.5768006216751536
Energy: 0.5511147134986006
Energy: 0.5551891951111009
Energy: 0.5760207247129028
Energy: 0.5693766772171205
Energy: 0.568355574892788
Energy: 0.5699449893796807
Energy: 0.5482331805901052
Energy: 0.5092495652975257
Energy: 0.576870643921082
Energy: 0.607472048413578
Energy: 0.5813895160460889
Energy: 0.5918114984486553
Energy: 0.5756203974609054
Energy: 0.5322973846738879
Energy: 0.569149542441254
Energy: 0.5449357269733816
Energy: 0.5638225499968045
Energy: 0.6394665046981285
Energy: 0.5068498139059358
Energy: 0.49649058382884753
Energy: 0.5431594220957122
Energy: 0.4968391051187951
Energy: 0.5852430670267851
Energy: 0.5492076484261816
Energy: 0.5923034685828096
Energy: 0.5067503110817938
Energy: 0.4974047319781892
Energy: 0.5332985146821206

minimum gb energy = 0.49599624353352395 eV
minimum distance =  2.57074449349684 Angstroms
sigma value = 21


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

Energy: 0.651999153594748
Energy: 0.7670256003075915
Energy: 0.5566174238626103
Energy: 0.7267759077297331
Energy: 0.5669533097610525
Energy: 0.5682101138079911
Energy: 0.6602340679916067
Energy: 0.5336727958399634
Energy: 0.5846733738341152
Energy: 0.6542433988614976
Energy: 0.6595026859526149
Energy: 0.682369150813831
Energy: 0.6706276948713427
Energy: 0.5991126171172515
Energy: 0.566963456925191
Energy: 0.6052981138122834
Energy: 0.5676139873759307
Energy: 0.5898551254180113
Energy: 0.5205076942448198
Energy: 0.6043787323530531
Energy: 0.6201157814460272
Energy: 0.658442972385951
Energy: 0.6612430903463948
Energy: 0.5551311304274513
Energy: 0.5914453707874877
Energy: 0.5808253847594955
Energy: 0.5274449088536429
Energy: 0.6177590053831002
Energy: 0.5178112272887768
Energy: 0.5590355577533034
Energy: 0.539751204012262
Energy: 0.5425451585453607
Energy: 0.5295172861392058
Energy: 0.5362666312514317
Energy: 0.5656891458177861
Energy: 0.5034549221405783
Energy: 0.541102623888125
Energy: 0.5354325588402438
Energy: 0.6478312780757703
Energy: 0.5587566652632294
Energy: 0.5123625052853075
Energy: 0.5618895848918145
Energy: 0.5156996079209683
Energy: 0.603167264926675
Energy: 0.5283533881006668
Energy: 0.5399981272101294
Energy: 0.5051019664448337
Energy: 0.5047806134415816
Energy: 0.5530381932366306
Energy: 0.5685821708025616
Energy: 0.5408235190211899
Energy: 0.5623859325464353
Energy: 0.5648749409593149
Energy: 0.5614048174506326
Energy: 0.5134962492972532
Energy: 0.5505013832917265
Energy: 0.5281269502206344
Energy: 0.5487557576450232
Energy: 0.6188208933961183
Energy: 0.6420043726450166
Energy: 0.672008473382435
Energy: 0.5807189265963587
Energy: 0.5367936795610156
Energy: 0.6626918582594518
Energy: 0.5920072166741369
Energy: 0.5370846417270454
Energy: 0.6343016072815663
Energy: 0.520282435571517
Energy: 0.527327101385618
Energy: 0.6579228209382219
Energy: 0.5276841278550582
Energy: 0.615534466059851
Energy: 0.5449864256756844
Energy: 0.6360187777574992
Energy: 0.5298523194473236
Energy: 0.5066719020885062
Energy: 0.6269731018361511
Energy: 0.5278989939106623
Energy: 0.6783325307595407
Energy: 0.6621915311280875
Energy: 0.6594680722162871
Energy: 0.6441237523688293
Energy: 0.6479366835845013
Energy: 0.5988043041464222
Energy: 0.6443835002696073
Energy: 0.595965539666951
Energy: 0.6145604857376868
Energy: 0.6333066287092528
Energy: 0.6078355696948449
Energy: 0.551723286153593
Energy: 0.6443781577822358
Energy: 0.50672013808098
Energy: 0.5829732083110233
Energy: 0.5448557282637969
Energy: 0.5764692184842843
Energy: 0.6239865679281251
Energy: 0.5740886834969359
Energy: 0.7018391425272313
Energy: 0.5403421511472897
Energy: 0.6227331478353363
Energy: 0.601470734281122
Energy: 0.5460601298397013
Energy: 0.5181737878823975
Energy: 0.6578519253994932
Energy: 0.7114369708884429
Energy: 0.6584622430609575
Energy: 0.5490711078645327
Energy: 0.5990081591232208
Energy: 0.5654054274928091
Energy: 0.5816673921608221
Energy: 0.5586572740031708
Energy: 0.6162998946273132
Energy: 0.5280703046707654
Energy: 0.5628877052199434
Energy: 0.541426849702368
Energy: 0.557365130402347
Energy: 0.5264588088743727
Energy: 0.5350149279555253
Energy: 0.5692249367077218
Energy: 0.504346638129498
Energy: 0.5565803389029979
Energy: 0.6074752818049683
Energy: 0.5887239902719736
Energy: 0.5596334399676798
Energy: 0.5129917625827487
Energy: 0.5473216610595273
Energy: 0.5069158686252979
Energy: 0.515687246641056
Energy: 0.5429426225524892
Energy: 0.5677318252344672
Energy: 0.5039898414789571
Energy: 0.5063781173648823
Energy: 0.5682821754517953
Energy: 0.5287555434845351
Energy: 0.5332152046029803
Energy: 0.5649365759853547
Energy: 0.5672872745111643
Energy: 0.5593311656929363
Energy: 0.5180017183392828
Energy: 0.5511338064123165
Energy: 0.5274530290308788
Energy: 0.5708940620844917
Energy: 0.558080784669596
Energy: 0.6283702043050973
Energy: 0.5275310423156929
Energy: 0.5918635728411582
Energy: 0.6845497924832497
Energy: 0.6070032882038866
Energy: 0.5658822499336146
Energy: 0.5372596086399551
Energy: 0.5636310765611281
Energy: 0.6027912373007508
Energy: 0.5283615026881965
Energy: 0.6118679121794507
Energy: 0.5958976569280074
Energy: 0.548711040521824
Energy: 0.5462966698564513
Energy: 0.6360236799358022
Energy: 0.6068913313065938
Energy: 0.5768300347343926
Energy: 0.6073797897586777
Energy: 0.567520097093295
Energy: 0.6331713421543369
Energy: 0.5956137231564487
Energy: 0.5394741307771438
Energy: 0.6608504492279665
Energy: 0.6478543987613397
Energy: 0.6304478679979612
Energy: 0.5067216545682098
Energy: 0.5831852659790171
Energy: 0.6305253721662385
Energy: 0.644197218161872
Energy: 0.5305469071569539
Energy: 0.5741969058095997
Energy: 0.607488458669786

minimum gb energy = 0.5034549221405783 eV
minimum distance =  2.55997932290075 Angstroms
sigma value = 113


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

Energy: 0.6491640331665206
Energy: 0.7603906021698478
Energy: 0.7071231260135055
Energy: 0.71176527820612
Energy: 0.6694289863421928
Energy: 0.6371433220836433
Energy: 0.737407391228606
Energy: 0.6670304686959981
Energy: 0.7198120843266324
Energy: 0.6876549450235391
Energy: 0.7096458529720028
Energy: 0.7129797620572317
Energy: 0.6993524026360244
Energy: 0.7544609283748355
Energy: 0.6694370061217477
Energy: 0.7497297085328767
Energy: 0.6556224003387424
Energy: 0.6715224384426483
Energy: 0.7103118780529628
Energy: 0.6579626614475622
Energy: 0.7004294580637428
Energy: 0.6523300559001084
Energy: 0.6741186494631315
Energy: 0.6458940273684162
Energy: 0.6487022560004586
Energy: 0.6443531469618486
Energy: 0.6410601496791625
Energy: 0.7059219182963409
Energy: 0.6417660210125363
Energy: 0.7163299669140556
Energy: 0.661802300838425
Energy: 0.6877997130299033
Energy: 0.6398440057423713
Energy: 0.6515283150734452
Energy: 0.6652844619561991
Energy: 0.5694031043142571
Energy: 0.6441616489052224
Energy: 0.6168398051219478
Energy: 0.6566026733666188
Energy: 0.5979405924870714
Energy: 0.6029988063943037
Energy: 0.6364561457952017
Energy: 0.6517856180559607
Energy: 0.6551799652701789
Energy: 0.6376959858344238
Energy: 0.6273443782591082
Energy: 0.6282045232090745
Energy: 0.6124779721115001
Energy: 0.6587494033513327
Energy: 0.5957076292461436
Energy: 0.6142053405195839
Energy: 0.6230125634348115
Energy: 0.6471922663376062
Energy: 0.6638529035420943
Energy: 0.6450745387059396
Energy: 0.6188193658036816
Energy: 0.6184673130182149
Energy: 0.6534002010483659
Energy: 0.6288187256698513
Energy: 0.5902521288943856
Energy: 0.6080910010096229
Energy: 0.6139578027318253
Energy: 0.6055920494166882
Energy: 0.6294802638036544
Energy: 0.6857738955996304
Energy: 0.6261556354394057
Energy: 0.6300241443824443
Energy: 0.673806970928275
Energy: 0.6108077357110115
Energy: 0.6222256599050848
Energy: 0.6319218731894684
Energy: 0.6374485862354881
Energy: 0.6651308609360904
Energy: 0.5967767228103261
Energy: 0.6477070391412462
Energy: 0.5971402411536589
Energy: 0.624984195075732
Energy: 0.6688971185916491
Energy: 0.5605420763325597
Energy: 0.6615537336548108
Energy: 0.6456633751231241
Energy: 0.6039620372511767
Energy: 0.6262725909065774
Energy: 0.5996367407311157
Energy: 0.6114261925147128
Energy: 0.6077483219441359
Energy: 0.6134145351636382
Energy: 0.640552933070827
Energy: 0.6692451330222771
Energy: 0.6215583099897266
Energy: 0.610577161635872
Energy: 0.6602422919365294
Energy: 0.605856027179757
Energy: 0.5676642991961458
Energy: 0.6601621838760864
Energy: 0.6673023792052925
Energy: 0.5916606254349132
Energy: 0.6366402731762243
Energy: 0.5885952052788972
Energy: 0.667901559952488
Energy: 0.6193452843005969
Energy: 0.6492725843914332
Energy: 0.5811856926170147
Energy: 0.5824632783738299
Energy: 0.6154505174777167
Energy: 0.6391544564422347
Energy: 0.6606814761221813
Energy: 0.6332516017612689
Energy: 0.610354265640163
Energy: 0.6212884518880328
Energy: 0.6370412357515346
Energy: 0.6643223989637852
Energy: 0.6412927147431208
Energy: 0.7071762698599594
Energy: 0.6084529893576872
Energy: 0.6386372182801962
Energy: 0.6454411312875948
Energy: 0.6363768118152386
Energy: 0.6786379773822122
Energy: 0.6044923090085983
Energy: 0.6759714658993888
Energy: 0.6108136522557334
Energy: 0.6555265315722334
Energy: 0.6597087015200512
Energy: 0.6550324845765868
Energy: 0.6907781552066133
Energy: 0.6726052669541274
Energy: 0.7298657783758018
Energy: 0.6813759853376441
Energy: 0.7170187585779508
Energy: 0.7402593511709149
Energy: 0.7347956430573656
Energy: 0.7265944159382356
Energy: 0.6527654863058425
Energy: 0.751831550385732
Energy: 0.6559732909259034
Energy: 0.7166366257967868
Energy: 0.6459237033624468
Energy: 0.6395347741497891
Energy: 0.6615863239927375
Energy: 0.6716626163825461
Energy: 0.7497235396625102
Energy: 0.6551921381394056
Energy: 0.7158245495335667
Energy: 0.6850263960751027
Energy: 0.6469477951530099
Energy: 0.7537127829122213
Energy: 0.6681021582021472
Energy: 0.7247891097209828
Energy: 0.6573438191702773
Energy: 0.7289452250388225
Energy: 0.684729956461618
Energy: 0.6453534096943825
Energy: 0.7542415463782599
Energy: 0.6485391406056688
Energy: 0.686274282396064
Energy: 0.6953298571676599
Energy: 0.7121715570456453
Energy: 0.6710167841265948
Energy: 0.6378148185736582
Energy: 0.733468232901415
Energy: 0.707858888802079
Energy: 0.6892856429992219
Energy: 0.7029145022183173
Energy: 0.6973269810350325
Energy: 0.734035601116869
Energy: 0.6878172419939618
Energy: 0.7685383861454206
Energy: 0.6084652986191029
Energy: 0.7509950972316154
Energy: 0.655460896893403
Energy: 0.6998350335777321
Energy: 0.6626273463004034
Energy: 0.6547774796978815
Energy: 0.7003703210950524
Energy: 0.6521434551051823
Energy: 0.7202599003463577
Energy: 0.6459767813382841
Energy: 0.6674676336154205
Energy: 0.6465540848696177
Energy: 0.6420051155303552
Energy: 0.7069505947529277
Energy: 0.6566562292191174
Energy: 0.7175807524937821
Energy: 0.6552980070223715
Energy: 0.6779285030685903
Energy: 0.682174159911872
Energy: 0.6509997016744453
Energy: 0.6664752381479593
Energy: 0.5689180088110037
Energy: 0.6720261645006859
Energy: 0.645715012487506
Energy: 0.6552571729252429
Energy: 0.5983277121577272
Energy: 0.6034466967493038
Energy: 0.6482965977182807
Energy: 0.6518672025423093
Energy: 0.6568899468840408
Energy: 0.5821788977847435
Energy: 0.6502694673464811
Energy: 0.6323787220845978
Energy: 0.6154844227187286
Energy: 0.6649569948010468
Energy: 0.6456038506053177
Energy: 0.6120489910344912
Energy: 0.6143634212858722
Energy: 0.6620833455482596
Energy: 0.6633520950267412
Energy: 0.6148009952269949
Energy: 0.6175598004639901
Energy: 0.5597478626168606
Energy: 0.6038541856613681
Energy: 0.6409338459009374
Energy: 0.5907128751444886
Energy: 0.6104432911748578
Energy: 0.6626027879904871
Energy: 0.6048008088936306
Energy: 0.6649500590536388
Energy: 0.686082268801866
Energy: 0.6668772572734653
Energy: 0.6303909165395379
Energy: 0.596601923573896
Energy: 0.646093014182493
Energy: 0.6267181745607652
Energy: 0.6309434264561067
Energy: 0.6372025156794109
Energy: 0.6437397991106396
Energy: 0.5993990674107043
Energy: 0.6589025334690073
Energy: 0.6281496058412197
Energy: 0.6254017734919207
Energy: 0.5553131276686223
Energy: 0.5692317128454203
Energy: 0.6624650375934432
Energy: 0.6444409494163563
Energy: 0.6134035911291671
Energy: 0.6129323465551458
Energy: 0.6498079591883364
Energy: 0.6089347006833501
Energy: 0.6066547269874822
Energy: 0.62835004612023
Energy: 0.6252925313918526
Energy: 0.6067873394517581
Energy: 0.6396921527022998
Energy: 0.605599613617392
Energy: 0.658771950277687
Energy: 0.6057114625477061
Energy: 0.5682156966252115
Energy: 0.6496954490029467
Energy: 0.6700805850597602
Energy: 0.5873709648059766
Energy: 0.6352486902695025
Energy: 0.580860140295972
Energy: 0.6684964919212626
Energy: 0.6177267596876694
Energy: 0.6184822778114716
Energy: 0.5810072404075239
Energy: 0.582573415002126
Energy: 0.6589057842891832
Energy: 0.6400195381524494
Energy: 0.6649428352023563
Energy: 0.6351078989986819
Energy: 0.6441979099416351
Energy: 0.6399405003787196
Energy: 0.6375769898794745
Energy: 0.662624523826446
Energy: 0.6407019491122078
Energy: 0.7044876029308528
Energy: 0.6082171351615541
Energy: 0.6738993284003998
Energy: 0.6364633900501898
Energy: 0.6054291075111176
Energy: 0.6778407079829749
Energy: 0.6053720967651189
Energy: 0.6879431672633572
Energy: 0.612934749555535
Energy: 0.6527326925732634
Energy: 0.6960718458119822
Energy: 0.6558703607439696
Energy: 0.6683114953745478
Energy: 0.6731956221360166
Energy: 0.7288317299523372
Energy: 0.6889829359136042
Energy: 0.7303609927130308
Energy: 0.7142813374841346
Energy: 0.703205101069971
Energy: 0.7262566351080857
Energy: 0.6551193779075496
Energy: 0.7156085240642978
Energy: 0.657511486496412
Energy: 0.6990010014369661
Energy: 0.6448593066601506
Energy: 0.6394685190698705
Energy: 0.6599749731440601
Energy: 0.673986198563376
Energy: 0.749602316944512
Energy: 0.6431511017599303
Energy: 0.7277322719772783
Energy: 0.684782965883404
Energy: 0.6480233049213104
Energy: 0.7542232659746053
Energy: 0.6670418903461566
Energy: 0.6960464972035401
Energy: 0.6705668790513273
Energy: 0.740944045792361
Energy: 0.6847302246826665
Energy: 0.647644443735382
Energy: 0.7532038373355693
Energy: 0.6469198585795352
Energy: 0.6849040875447624
Energy: 0.6959659921122676
Energy: 0.7107859842063106
Energy: 0.6720774277660482
Energy: 0.6389019148110107
Energy: 0.7090398069507701

minimum gb energy = 0.5553131276686223 eV
minimum distance =  2.49662009713102 Angstroms
sigma value = 365


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

Energy: 0.5946582059960593
Energy: 0.7004842594452382
Energy: 0.5920301391710093
Energy: 0.5933511832961957
Energy: 0.5926232014331339
Energy: 0.5916209748929655
Energy: 0.5937465530053629
Energy: 0.5543825816195757
Energy: 0.6969691219394129
Energy: 0.5568690017542012
Energy: 0.5346202765296668
Energy: 0.5551985266458005
Energy: 0.5579535678740051
Energy: 0.702758260155793
Energy: 0.5532166197247241
Energy: 0.7285608959647802
Energy: 0.5567274673805735
Energy: 0.553798436067078
Energy: 0.5544241140472204
Energy: 0.5579449356195818
Energy: 0.5660635496320743
Energy: 0.5538127067802788
Energy: 0.7307712526546614
Energy: 0.5573433136709289
Energy: 0.5938350394562287
Energy: 0.5537569990594856
Energy: 0.5588652636601614
Energy: 0.591487502129699
Energy: 0.5607861991722006
Energy: 0.6967669239446693
Energy: 0.5618303817696515
Energy: 0.6985329819119792
Energy: 0.5336308539033777
Energy: 0.5624639204853712
Energy: 0.7018307567273817
Energy: 0.5546940221879492
Energy: 0.7319898501607989
Energy: 0.554995767134551
Energy: 0.5936397495147264
Energy: 0.5929700709963013
Energy: 0.5921133456999345
Energy: 0.5940422115585606
Energy: 0.5535177491620707
Energy: 0.7318478984721892
Energy: 0.5563708112374636
Energy: 0.5544475747774316
Energy: 0.5545143759108409
Energy: 0.5578954310023728
Energy: 0.6976789320020392
Energy: 0.5530432831461366
Energy: 0.7310520663355441
Energy: 0.5563164680010781
Energy: 0.5540844307371002
Energy: 0.554600378936064
Energy: 0.5576994497058334
Energy: 0.7327891550997574
Energy: 0.5543607042843275
Energy: 0.7311477024654462
Energy: 0.5591100619434243
Energy: 0.5933958476158532
Energy: 0.5935154335771218
Energy: 0.5569779979736739
Energy: 0.591735256612359
Energy: 0.5605085586039614
Energy: 0.6972909645400289
Energy: 0.561551070405916
Energy: 0.6983904528139825
Energy: 0.6975654876062862
Energy: 0.5621634037053277
Energy: 0.7017374096155381
Energy: 0.5546707664755479
Energy: 0.730791946256302
Energy: 0.5582590442248202
Energy: 0.5934549597405533
Energy: 0.5938732563999969
Energy: 0.5598451472078066
Energy: 0.5917229624761844
Energy: 0.552994447082428
Energy: 0.7308671646722625
Energy: 0.5564413541752108
Energy: 0.5544960807091306
Energy: 0.5537908234837541
Energy: 0.55772487594469
Energy: 0.732251089015488
Energy: 0.5537377858598485
Energy: 0.7334831500232061
Energy: 0.55653146061866
Energy: 0.5550641020911973
Energy: 0.5552091887660939
Energy: 0.5579955030878507
Energy: 0.7014902076041988
Energy: 0.5548753809963469
Energy: 0.7325417296693124
Energy: 0.5923559885294248
Energy: 0.5930076469688947
Energy: 0.5927608557080477
Energy: 0.5917973234894358
Energy: 0.5938609050380489
Energy: 0.5609691914066205
Energy: 0.7032170046407118
Energy: 0.5621623741233276
Energy: 0.5338445219328152
Energy: 0.5555349953278976
Energy: 0.5547171777875853
Energy: 0.7024247269976954
Energy: 0.5534178222065452
Energy: 0.7305322730370742
Energy: 0.5571317455610834
Energy: 0.5925263810228427
Energy: 0.5536480953395889
Energy: 0.5583359544011626
Energy: 0.5664647050136035
Energy: 0.5533422858430282
Energy: 0.7302561751036258
Energy: 0.5568359727554206
Energy: 0.5533439070138217
Energy: 0.553650754183305
Energy: 0.5582462854599687
Energy: 0.5913311226592856
Energy: 0.5612019708595528
Energy: 0.6971462621078851
Energy: 0.5573101824044264
Energy: 0.555521153098752
Energy: 0.53418205654818
Energy: 0.5547089369977197
Energy: 0.702636973429763
Energy: 0.5546109914696596
Energy: 0.7326145016958532
Energy: 0.5920905247816639
Energy: 0.5936192552574056
Energy: 0.5927315325543238
Energy: 0.5917295089242011
Energy: 0.5938908755340349
Energy: 0.554097438280478
Energy: 0.7027489708847965
Energy: 0.5568008289571911
Energy: 0.5351346130583509
Energy: 0.5550836442561506
Energy: 0.5580132251210135
Energy: 0.6975676804151633

minimum gb energy = 0.5336308539033777 eV
minimum distance =  2.52194016589789 Angstroms
sigma value = 23