Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
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=4.049999862909317
cohesive_energy=3.3503944978124447
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=[1.7689632215994e-19, 2.41521718868964e-19, 2.89003825594188e-19, 3.2679276368371202e-19, 3.58028799340176e-19, 3.84429465915228e-19, 4.07063415223746e-19, 4.26646820221128e-19, 4.436923774302539e-19, 4.585798027133819e-19, 4.7159909004126595e-19, 4.8298095284920195e-19, 4.929112436267339e-19, 5.01540566977458e-19, 5.08993892678826e-19, 5.1538016874195e-19, 5.20789117058334e-19, 5.252992442830439e-19, 5.28977841834708e-19, 5.3188419024878395e-19, 5.3406955917756e-19, 5.3558361609669e-19, 5.364648132453899e-19, 5.36750000686242e-19, 5.36443984949148e-19, 5.354570441426039e-19, 5.33673821548962e-19, 5.309549278010639e-19, 5.271385430588759e-19, 5.2202920177305e-19, 5.15391383978388e-19, 5.0694470876393995e-19, 4.963447081533959e-19, 4.8317641839855e-19, 4.669223364466199e-19, 4.469496025271759e-19, 4.2246193485311996e-19, 3.9246117738146997e-19, 3.5567359968819596e-19, 3.1046498160661796e-19, 2.54699621683614e-19, 1.8556569992651397e-19, 9.928896883860419e-20, -9.281697632556119e-21, -1.47320942584617e-19, -3.2504959550592e-19, -5.574469184442539e-19, -8.67152468326356e-19, -1.2897489860167318e-18, -1.8838392862571997e-18, -2.75180245596036e-18, -4.08646365738138e-18, -6.29147527169022e-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: -0.00986900153303542 eV

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

Energy: 0.012608087847995284
Energy: 0.014065299378759336
Energy: 0.5024006968711772
Energy: 0.44101543408226607
Energy: 0.44021714846255267
Energy: 0.17052809076157416
Energy: 0.013875767388380882
Energy: 0.012881438059467728
Energy: 0.4447853747133229
Energy: 0.2519442263900056
Energy: 0.2993590077023295
Energy: 0.29925900851773013
Energy: 0.013265004875837871
Energy: 0.07100353946755175
Energy: 0.012981137933878324
Energy: 0.3549195810982189
Energy: 0.5098254887210347
Energy: 0.29941642790665374
Energy: 0.3554047372199895
Energy: 0.06835833485284888
Energy: 0.07012434200146946
Energy: 0.014262430347320445
Energy: 0.38426036986640755
Energy: 0.2993532277561617
Energy: 0.44138995841789813
Energy: 0.44132329730820596
Energy: 0.0683659797026935
Energy: 0.01327232738694094
Energy: 0.1706685911187258
Energy: 0.44231917716593616
Energy: 0.2532267905816267
Energy: 0.30157339102268366
Energy: 0.2993043641261499
Energy: 0.01317204513336413
Energy: 0.06833015672773915
Energy: 0.012819547082057528
Energy: 0.3578156853510477
Energy: 0.5094074522804805
Energy: 0.2993961844168489
Energy: 0.35458801178531213
Energy: 0.06837140531199101
Energy: 0.06984792203781466

minimum gb energy = 0.012608087847995284 eV
minimum distance =  2.8374092386161 Angstroms
sigma value = 5


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

Energy: 0.5739865569290065
Energy: 0.6266683324674547
Energy: 0.6161388807172721
Energy: 0.658209003612202
Energy: 0.6122364080079442
Energy: 0.6363786335200825
Energy: 0.6215112960742185
Energy: 0.5158758611557804
Energy: 0.6562183662525808
Energy: 0.5242218716138626
Energy: 0.5901082720584565
Energy: 0.6033370792984102
Energy: 0.5307494398633342
Energy: 0.6562673867108233
Energy: 0.6207492902260945
Energy: 0.6794230610126388
Energy: 0.5736622432019398
Energy: 0.6061607013126521
Energy: 0.6560804059722267
Energy: 0.6337555810635445
Energy: 0.6644737454973446
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Energy: 0.6384605181681735
Energy: 0.5206624754781067
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Energy: 0.6002083603281381
Energy: 0.5346369249430314
Energy: 0.6474025409908569
Energy: 0.6098379487387131
Energy: 0.6040085493825373
Energy: 0.5608382181684244
Energy: 0.6021249952385118
Energy: 0.585134400853052
Energy: 0.6103271453390661
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Energy: 0.5740440547716495
Energy: 0.6332078169997044
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Energy: 0.5548434492425633
Energy: 0.5817226203679635
Energy: 0.5815191768458662
Energy: 0.6630515019741179
Energy: 0.5334337899612481
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Energy: 0.5303458990264976
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Energy: 0.6252298012024594
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Energy: 0.6278736010613805
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Energy: 0.6035618545078323
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Energy: 0.6281127015743707
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Energy: 0.536804387971856
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Energy: 0.5427756155000631
Energy: 0.5785162490284322
Energy: 0.5569424559755322
Energy: 0.5618047008007491
Energy: 0.6664542565767579
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Energy: 0.569964711744408
Energy: 0.6127959348509068
Energy: 0.6375824208591042
Energy: 0.625143318932393
Energy: 0.6877786729541494
Energy: 0.5324983092709863
Energy: 0.576759287338957
Energy: 0.5659197552227617
Energy: 0.5517304288204739
Energy: 0.5511280076016197
Energy: 0.576401195886516
Energy: 0.6711124130118631
Energy: 0.5994534461772243
Energy: 0.5788996560960993
Energy: 0.5900941859462283
Energy: 0.5978703227109939
Energy: 0.5804848300845588
Energy: 0.5963234755602709
Energy: 0.5854529332272855
Energy: 0.5314518826819766
Energy: 0.6403635877335381
Energy: 0.5925933497690652
Energy: 0.5792394774295938
Energy: 0.6054205166001289
Energy: 0.5902783438534903
Energy: 0.6608367530288928
Energy: 0.5999905194803709
Energy: 0.6228997238107266
Energy: 0.5750250526183681
Energy: 0.7119518713987295
Energy: 0.6716050321124085
Energy: 0.5843718772497217
Energy: 0.5782045451142125
Energy: 0.5263117998819442
Energy: 0.617412877644877
Energy: 0.5829756719792885
Energy: 0.5652655604917561
Energy: 0.5925552629922701
Energy: 0.5142655088871726
Energy: 0.6262893237027257
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Energy: 0.5793610348670892
Energy: 0.6129508478856135
Energy: 0.6390355521377011
Energy: 0.6605848282792272
Energy: 0.5736684267895965
Energy: 0.5660881773163239

minimum gb energy = 0.5137421158581191 eV
minimum distance =  2.52165068353527 Angstroms
sigma value = 401


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

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Energy: 0.5475062013628107
Energy: 0.5816487528397081
Energy: 0.5765175192963236
Energy: 0.6876777438442385
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Energy: 0.557498998894094
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Energy: 0.6091862633367819
Energy: 0.5755616940572167
Energy: 0.605267497923308
Energy: 0.5257178480688217
Energy: 0.588256282533686
Energy: 0.5352718604007504
Energy: 0.5485202653070836
Energy: 0.6364555733312686
Energy: 0.6348806174424769
Energy: 0.6066836349753647
Energy: 0.6042402169547508
Energy: 0.591094279716084
Energy: 0.5364731123986356
Energy: 0.6093404519870548
Energy: 0.6470404505320347
Energy: 0.5589545830157457
Energy: 0.5719560925658224
Energy: 0.548673855110571
Energy: 0.5510286960698292
Energy: 0.595023359150633
Energy: 0.5759504784513862
Energy: 0.6145472876234562
Energy: 0.5443983589064789
Energy: 0.5672689527691034
Energy: 0.5582399052556922
Energy: 0.6142858701820516
Energy: 0.6274777677903399
Energy: 0.5302345359447598
Energy: 0.5499531801553322
Energy: 0.5394987034402549
Energy: 0.5299186984698484
Energy: 0.5557388860704445
Energy: 0.5990467445032568
Energy: 0.5950943249183402
Energy: 0.5531569118148352
Energy: 0.5490722383015023
Energy: 0.5326293516259202
Energy: 0.5600127844139206
Energy: 0.6059304271019178
Energy: 0.5529848512865193
Energy: 0.6116329267535675
Energy: 0.5812821639309402
Energy: 0.5579291808884508
Energy: 0.5450438425181976
Energy: 0.5556530896049114
Energy: 0.5343654903909694
Energy: 0.5591801462886657
Energy: 0.5635977400055493
Energy: 0.5535101440492733
Energy: 0.6105104354767701
Energy: 0.6075083084936549
Energy: 0.6259826149197762
Energy: 0.5625287914072752
Energy: 0.6073575717684713
Energy: 0.5539333052427123
Energy: 0.5633892489265436
Energy: 0.6437105297240592
Energy: 0.551859491793551
Energy: 0.6409579654990639
Energy: 0.5524473138449306
Energy: 0.5611173054443518
Energy: 0.56723924476434
Energy: 0.596765559180463
Energy: 0.6337469966501156
Energy: 0.613277820713744
Energy: 0.6457210833115781
Energy: 0.5489797951022994
Energy: 0.556829023935944
Energy: 0.5520765439354368
Energy: 0.6307306154643926
Energy: 0.5809472275141399
Energy: 0.5553359432781564
Energy: 0.6233838060962708
Energy: 0.5142076570634545
Energy: 0.5639241057740613
Energy: 0.5369318077122235
Energy: 0.5348355627311544
Energy: 0.6311635978395395
Energy: 0.6305865868933932
Energy: 0.5925672943592522
Energy: 0.5656209392992928
Energy: 0.587690952416357
Energy: 0.5355600409552289
Energy: 0.5469137168383936
Energy: 0.6548001114180021
Energy: 0.5367463651770299
Energy: 0.574500680083694
Energy: 0.5301117149945596
Energy: 0.5786181343003282
Energy: 0.6370975123729861
Energy: 0.5656684747747986
Energy: 0.6018725384250431
Energy: 0.5610893026272106
Energy: 0.5585242545885193
Energy: 0.558759098699318
Energy: 0.5781006339032808
Energy: 0.6505555255445581
Energy: 0.5965762171898008
Energy: 0.5806363808995002
Energy: 0.5432223632616073
Energy: 0.5764946442779496
Energy: 0.5375912178467138
Energy: 0.5682480636202698
Energy: 0.6413322351045212
Energy: 0.5597935804551671
Energy: 0.5594446766960328

minimum gb energy = 0.5142076570634545 eV
minimum distance =  2.53903876132754 Angstroms
sigma value = 311


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

Energy: 0.5801467596385139
Energy: 0.5548339211436198
Energy: 0.6022291209487032
Energy: 0.61495608793257
Energy: 0.5917801161480593
Energy: 0.5512417481683929
Energy: 0.6495575223702048
Energy: 0.5518103164179772
Energy: 0.585128161182163
Energy: 0.5616217893468333
Energy: 0.5909246419720825
Energy: 0.5501078630092664
Energy: 0.5428375531452158
Energy: 0.5797696055419779
Energy: 0.6010392755826797
Energy: 0.6269864914646883
Energy: 0.5809444100557691
Energy: 0.6215799273251534
Energy: 0.6022237845622765
Energy: 0.5661860655542348
Energy: 0.5981803429470522
Energy: 0.5323752144739182
Energy: 0.6301437343739178
Energy: 0.5620429840590343
Energy: 0.6163451776872377
Energy: 0.6300965937910112
Energy: 0.5503501026144233
Energy: 0.584523029689804
Energy: 0.5762326490418374
Energy: 0.5660911850457078
Energy: 0.5660750988868662
Energy: 0.5607186776205727
Energy: 0.588075224570833
Energy: 0.5605171782156949
Energy: 0.5872477248309561
Energy: 0.5363841852296138
Energy: 0.5975534748821776
Energy: 0.544689834446067
Energy: 0.5803126870622975
Energy: 0.578849671113602
Energy: 0.5434787632339383
Energy: 0.5931303650446828
Energy: 0.5776868028729037
Energy: 0.5799019983296309
Energy: 0.5790014263484777
Energy: 0.6129640851929132
Energy: 0.6327343357386861
Energy: 0.5588206270809043
Energy: 0.6183171901239402
Energy: 0.5571752348836048
Energy: 0.5762798142317144
Energy: 0.5582866624981944
Energy: 0.5893610745681009
Energy: 0.5579740844191832
Energy: 0.5533629054017865
Energy: 0.6484231317259889
Energy: 0.5556092082869961
Energy: 0.6411356038574604
Energy: 0.617785393262612
Energy: 0.627675625000207
Energy: 0.6147731400695232
Energy: 0.5694465887183872
Energy: 0.596337461533249
Energy: 0.5426806465159403
Energy: 0.6391082496379443
Energy: 0.5572155510173847
Energy: 0.5781392986123279
Energy: 0.5830925400875964
Energy: 0.5319662067175741
Energy: 0.5902024150923514
Energy: 0.552439186540572
Energy: 0.5921411661797757
Energy: 0.5847444757021235
Energy: 0.5757099103065499
Energy: 0.5565833692369595
Energy: 0.5621110900090649
Energy: 0.6031870580940576
Energy: 0.5323070294369443
Energy: 0.6148407045407314
Energy: 0.5458944850014422
Energy: 0.5599874910802864
Energy: 0.5801533186734257
Energy: 0.5599515817376134
Energy: 0.5938028038602227
Energy: 0.5875153243682444
Energy: 0.534773447201217
Energy: 0.5757531679191475
Energy: 0.6196800607175299
Energy: 0.6161093613104207
Energy: 0.5823282003033958
Energy: 0.6270678041639451
Energy: 0.5479221443812556
Energy: 0.6260793317894586
Energy: 0.5489956337699367
Energy: 0.5738027327538852
Energy: 0.5752659971387197
Energy: 0.5579399625564139
Energy: 0.604671970972768
Energy: 0.5977283054525045
Energy: 0.6150143816924066
Energy: 0.5450537964976772
Energy: 0.6280044190047716
Energy: 0.6083379059343448
Energy: 0.5873705833359643
Energy: 0.6246493683751514
Energy: 0.5275480628717129
Energy: 0.6168234986961783
Energy: 0.5600599817529371
Energy: 0.5930421035493747
Energy: 0.5831738192895862
Energy: 0.5472131081857394
Energy: 0.6093713375445192
Energy: 0.5722579655418825
Energy: 0.5724583233245941
Energy: 0.5768508823552285
Energy: 0.6273467584545427
Energy: 0.5656676977654598
Energy: 0.5580757067760888
Energy: 0.6214474664630513
Energy: 0.5559511786381643
Energy: 0.6303232060221023
Energy: 0.5482089159251183
Energy: 0.5426067865364333
Energy: 0.56518459364119
Energy: 0.5396970489181316
Energy: 0.6115200906017578
Energy: 0.5774222801215259
Energy: 0.5917693523244327
Energy: 0.5837363488257709
Energy: 0.6035783192459415
Energy: 0.598274193201608
Energy: 0.5938556265526239
Energy: 0.6232188851901788
Energy: 0.5699347060713967
Energy: 0.6252337762452609
Energy: 0.5516831295656763
Energy: 0.5874646071781876
Energy: 0.5488792429036332
Energy: 0.5580315191186667
Energy: 0.6581430057058416
Energy: 0.5549767984111704
Energy: 0.6024885721729862
Energy: 0.5642278876516961
Energy: 0.6315589074233902
Energy: 0.6161857500900538
Energy: 0.59787291913965
Energy: 0.6279201372118476
Energy: 0.5209373908215212
Energy: 0.6129426553877335
Energy: 0.5495750472499199
Energy: 0.5628009688693784
Energy: 0.6061587985221518
Energy: 0.5585267217520996
Energy: 0.5754047010183813
Energy: 0.5514510818311229
Energy: 0.5575194301698609
Energy: 0.5542441507648924
Energy: 0.5689660918335568
Energy: 0.5609651580124456
Energy: 0.6093191985403155
Energy: 0.5703670207954826
Energy: 0.5625942813191206
Energy: 0.6285365904608604
Energy: 0.5749720888172516
Energy: 0.5922871718393395
Energy: 0.5626757054360234
Energy: 0.5486005475818194
Energy: 0.5912355182902481
Energy: 0.5746080592337922
Energy: 0.6164870753975725
Energy: 0.5843905161654944
Energy: 0.6240095420662123
Energy: 0.6149860361808973
Energy: 0.5946762842427868
Energy: 0.6301617071006318
Energy: 0.5632377522386325
Energy: 0.5983348204517211
Energy: 0.5563092624634408
Energy: 0.600824673143745
Energy: 0.569956270669294
Energy: 0.5671750666854788
Energy: 0.6454760283999931
Energy: 0.5903848756469185
Energy: 0.5962081436648121
Energy: 0.5663972878130399
Energy: 0.6335027859998551
Energy: 0.596903568172259
Energy: 0.5562033676338426
Energy: 0.6175638160062539
Energy: 0.5663325560174785
Energy: 0.6106975694958707
Energy: 0.5584048793444149
Energy: 0.6026302662111979
Energy: 0.5700817235064158
Energy: 0.5344022228629842
Energy: 0.5991400921799778
Energy: 0.558836152950273
Energy: 0.5748870409302835
Energy: 0.569362693023834
Energy: 0.62926225007665
Energy: 0.553324937753687
Energy: 0.5440897200468547
Energy: 0.6057256097926308
Energy: 0.5689453312808737
Energy: 0.6038340209253018
Energy: 0.5688221843809708
Energy: 0.5750460896858723
Energy: 0.5687344206320946
Energy: 0.5655415608983367
Energy: 0.620486940486008
Energy: 0.5912792716226432
Energy: 0.6192760867552716
Energy: 0.589992983508652
Energy: 0.6049733384775946
Energy: 0.5976461365382782
Energy: 0.5487441960565621
Energy: 0.6445735564948913
Energy: 0.5791744368933767
Energy: 0.5940003309771673
Energy: 0.5626221058158407
Energy: 0.5848205188496637
Energy: 0.5521959322040001
Energy: 0.590433606826002
Energy: 0.6208828851571494
Energy: 0.5604616110635774
Energy: 0.6480775726631812
Energy: 0.5655629819332041
Energy: 0.629819901587668
Energy: 0.594283387521522
Energy: 0.5600739221140434
Energy: 0.6151096528881174
Energy: 0.5599981965051164
Energy: 0.6065245542038693
Energy: 0.561999077387283
Energy: 0.5734368755495254
Energy: 0.5732127725150329
Energy: 0.5448988976205192
Energy: 0.595773152439279
Energy: 0.5522216412114381
Energy: 0.5868515909759802
Energy: 0.5704865721895425
Energy: 0.6033821657712531
Energy: 0.558028515582872
Energy: 0.5976652269781113
Energy: 0.6093173340451403
Energy: 0.5676504435854751
Energy: 0.6417585683935618
Energy: 0.6030578378840883
Energy: 0.5874050265306113
Energy: 0.5617899909253664
Energy: 0.5517657966531611
Energy: 0.5988965786951976

minimum gb energy = 0.5209373908215212 eV
minimum distance =  2.49489634253533 Angstroms
sigma value = 39


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

Energy: 0.524960450004597
Energy: 0.5517735656507362
Energy: 0.6750589032793046
Energy: 0.6024322232878933
Energy: 0.5840205199870057
Energy: 0.5596480527468888
Energy: 0.5139542411778026
Energy: 0.5226126813365752
Energy: 0.5594719202689727
Energy: 0.5511905133804719
Energy: 0.5574914061191434
Energy: 0.5564507733587812
Energy: 0.5270264971009836
Energy: 0.619404307510938
Energy: 0.5359267088243899
Energy: 0.5272418080626469
Energy: 0.5541976728177928
Energy: 0.561977361633777
Energy: 0.5531716058498395
Energy: 0.5481779956882871
Energy: 0.6321701268863095
Energy: 0.5404251827369926
Energy: 0.5279703223406931
Energy: 0.5595128210130207
Energy: 0.5481178700933097
Energy: 0.5556573202914284
Energy: 0.5500690338899161
Energy: 0.6153781756798071
Energy: 0.5545980038769105
Energy: 0.5386436977951193
Energy: 0.5555089745884269
Energy: 0.5498867669957508
Energy: 0.6225309819155083
Energy: 0.5620661571912433
Energy: 0.5250440471614729
Energy: 0.522155044375675
Energy: 0.5383768425871983
Energy: 0.5372487109544672
Energy: 0.591867358011827
Energy: 0.5599346548844625
Energy: 0.5255697187788368
Energy: 0.5257084281929608
Energy: 0.5353650822470887
Energy: 0.5600401001144244
Energy: 0.5356433288823469
Energy: 0.5379599945380333
Energy: 0.5144159357346666
Energy: 0.5144650129120296
Energy: 0.5537958945825436
Energy: 0.5245243229542732
Energy: 0.5598564470048082
Energy: 0.6349182763860353
Energy: 0.5328603848430331
Energy: 0.577364160333636
Energy: 0.5507038048093089
Energy: 0.52554207358614
Energy: 0.5249114636184228
Energy: 0.5594271767639339
Energy: 0.6518115389740057
Energy: 0.5363224503971555
Energy: 0.5765115755328938
Energy: 0.550147251987783
Energy: 0.5255670264246101
Energy: 0.640029433457041
Energy: 0.5546731686021726
Energy: 0.5497155273103579
Energy: 0.5573391873739892
Energy: 0.5554318236840674
Energy: 0.5258984619085095
Energy: 0.5251131632848173
Energy: 0.5437252815886506
Energy: 0.5333042066289201
Energy: 0.5612898506194003
Energy: 0.5498067993621247
Energy: 0.5528481648144764
Energy: 0.5386302941503471
Energy: 0.5587743219557442
Energy: 0.5525943727036455
Energy: 0.5401840479667879
Energy: 0.5506479574804917
Energy: 0.5488303760824136
Energy: 0.5562892524882331
Energy: 0.5503975104707246
Energy: 0.5578964028542232
Energy: 0.5157116598159179
Energy: 0.5404740948093028
Energy: 0.5469339935489153
Energy: 0.550376339951416
Energy: 0.5577575523417085
Energy: 0.5508889638747462
Energy: 0.5253579298281799
Energy: 0.5624118134893477
Energy: 0.5274548880033427
Energy: 0.5655664866393293
Energy: 0.551690352162931
Energy: 0.5139815302310007
Energy: 0.5159159102479132
Energy: 0.526778410186287
Energy: 0.5227266304761548
Energy: 0.5640332826931177
Energy: 0.5376066000527151
Energy: 0.6348411168720725
Energy: 0.5140218327330693
Energy: 0.5142334935123691
Energy: 0.5269680955230325
Energy: 0.5249095876487722
Energy: 0.547321161077726
Energy: 0.537405206790896
Energy: 0.5468043688165978
Energy: 0.5843824775712632
Energy: 0.5504688104164173
Energy: 0.5137976095694999
Energy: 0.5340260200397766
Energy: 0.5595452375344214
Energy: 0.5507515259201342
Energy: 0.5572961643108394
Energy: 0.5566266299020439
Energy: 0.5269343348994086
Energy: 0.6196501017198229
Energy: 0.5263167402344433
Energy: 0.5277474361863378
Energy: 0.554176056194908
Energy: 0.5616024184296055
Energy: 0.5530684708953431
Energy: 0.5481424964958181
Energy: 0.570015916086894
Energy: 0.5401082435370417
Energy: 0.5501702313066761
Energy: 0.5597648695510754
Energy: 0.548041591115709
Energy: 0.555178559248697
Energy: 0.5503416725017541
Energy: 0.6155217257287295
Energy: 0.5362046880618765
Energy: 0.5389886379964214
Energy: 0.5560266542396517
Energy: 0.5496056859816884
Energy: 0.552797840466479
Energy: 0.5621929036356668
Energy: 0.5254645507236304
Energy: 0.5220800904840981
Energy: 0.5387825211539378
Energy: 0.5372142106713148
Energy: 0.6401182248319647
Energy: 0.5605865497385973
Energy: 0.5141678979700378
Energy: 0.5257171268157949
Energy: 0.5329517825359185
Energy: 0.5601953472059136
Energy: 0.5369498970854272
Energy: 0.5380928653470461
Energy: 0.5143208940058837
Energy: 0.5149515797185548
Energy: 0.55381476779523
Energy: 0.5241429887989852
Energy: 0.5600120947711398
Energy: 0.6348966315491337
Energy: 0.5326837176068258
Energy: 0.5779026605593205
Energy: 0.5506917471579619
Energy: 0.5255254199839474
Energy: 0.5246232801783283
Energy: 0.5594118821922416
Energy: 0.6517397201659182
Energy: 0.5363427381588096
Energy: 0.5761335101613344
Energy: 0.5499871734517389
Energy: 0.5255280439804736
Energy: 0.6396153354630005
Energy: 0.5543533754480309
Energy: 0.5499574530190933
Energy: 0.5568359918615201
Energy: 0.5551903919610125
Energy: 0.5258615716661591
Energy: 0.525427700717288
Energy: 0.5437117099118406
Energy: 0.5324217531412466
Energy: 0.5611371994599759
Energy: 0.5502029321805573
Energy: 0.5528124048070302
Energy: 0.5495271720346091
Energy: 0.5586126088754532
Energy: 0.555898014575425
Energy: 0.5398023798409233
Energy: 0.5509559143419032
Energy: 0.550311142127881
Energy: 0.5576580492606105
Energy: 0.5502198964942688
Energy: 0.5375480730887184
Energy: 0.5161287253388279
Energy: 0.540173645893306
Energy: 0.5527686924917941
Energy: 0.5501587994602251
Energy: 0.5578755681288721
Energy: 0.5510216920724756
Energy: 0.5254619782555592
Energy: 0.5627028631588129
Energy: 0.5276628441542637
Energy: 0.5473654940028708
Energy: 0.551590401363273
Energy: 0.5140295724866719
Energy: 0.5157655063640588
Energy: 0.5565515995687655
Energy: 0.5227924380997787
Energy: 0.5636965885914398
Energy: 0.5374881417095936
Energy: 0.6279123118625688
Energy: 0.5139935711981679
Energy: 0.5144343358690738
Energy: 0.5253915692999463

minimum gb energy = 0.5137976095694999 eV
minimum distance =  2.51334313751703 Angstroms
sigma value = 21


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

Energy: 0.6406025942165269
Energy: 0.6250358394902145
Energy: 0.5176655749389057
Energy: 0.6819925147883072
Energy: 0.512374609113888
Energy: 0.6067370059335596
Energy: 0.6336042827205647
Energy: 0.5199708880122086
Energy: 0.5673141756113756
Energy: 0.6753444766282101
Energy: 0.5199857723051193
Energy: 0.6381579555466549
Energy: 0.5840386873205978
Energy: 0.6411423296807476
Energy: 0.510010591836261
Energy: 0.6021371081987622
Energy: 0.521757339938018
Energy: 0.5189213844884452
Energy: 0.5630774065458155
Energy: 0.4960970805234795
Energy: 0.5995016677229978
Energy: 0.5627440224504359
Energy: 0.5697342307407294
Energy: 0.5408482026102145
Energy: 0.6174164487732363
Energy: 0.5821368286734327
Energy: 0.5123506134882043
Energy: 0.6115645764215001
Energy: 0.5321144029800443
Energy: 0.5386624111644386
Energy: 0.5475183796512253
Energy: 0.5380213466444923
Energy: 0.5451976880816801
Energy: 0.5379893420980703
Energy: 0.5218234954279124
Energy: 0.48287741512868826
Energy: 0.5231734517997831
Energy: 0.575584392236258
Energy: 0.6053522498108764
Energy: 0.5247418382913027
Energy: 0.4962232770578219
Energy: 0.5221530060621308
Energy: 0.49659268780962956
Energy: 0.5938102047371289
Energy: 0.5118970150122987
Energy: 0.6001174889656409
Energy: 0.48343693724912784
Energy: 0.4834027219543836
Energy: 0.5217175775798496
Energy: 0.530250034805972
Energy: 0.5412062443958875
Energy: 0.5212388000450756
Energy: 0.5428601610093641
Energy: 0.5136156078403202
Energy: 0.49724522496784157
Energy: 0.5480963863132735
Energy: 0.511450686385219
Energy: 0.6062320712605042
Energy: 0.6018823776096696
Energy: 0.6208079989884268
Energy: 0.6462304445201582
Energy: 0.6035368930486841
Energy: 0.6108229795938971
Energy: 0.4959264496007359
Energy: 0.6722106332937234
Energy: 0.5243789123487241
Energy: 0.6016930301460841
Energy: 0.5339713153423651
Energy: 0.6064632832004343
Energy: 0.4966163953762412
Energy: 0.5327667681390934
Energy: 0.6244977043368236
Energy: 0.5157171850560913
Energy: 0.6044132778706025
Energy: 0.4860166613250783
Energy: 0.48434039641949145
Energy: 0.6849673147642249
Energy: 0.5236748368051433
Energy: 0.5947696798380911
Energy: 0.5948520822021278
Energy: 0.6145913629063566
Energy: 0.4873091132942983
Energy: 0.6334704494756258
Energy: 0.6580522655901688
Energy: 0.48453029003147247
Energy: 0.5862440412514451
Energy: 0.6205607618241635
Energy: 0.5948242257456865
Energy: 0.5231700375526805
Energy: 0.5201356819558002
Energy: 0.5442297811276369
Energy: 0.482880698831818
Energy: 0.49459022815955245
Energy: 0.5205410618161811
Energy: 0.6364793045536955
Energy: 0.6043198328531963
Energy: 0.5349809601840722
Energy: 0.6840010396574046
Energy: 0.5358097426589803
Energy: 0.6334948686124882
Energy: 0.5236156423537567
Energy: 0.5193702595743385
Energy: 0.4965217099937412
Energy: 0.5992728073706202
Energy: 0.6899733024448202
Energy: 0.5132366665057142
Energy: 0.5346475969918292
Energy: 0.5413253307102617
Energy: 0.594004070788105
Energy: 0.5672395802655631
Energy: 0.5216500482483515
Energy: 0.6080360902535829
Energy: 0.5139664758528965
Energy: 0.5426526650211051
Energy: 0.5153860512677343
Energy: 0.5418315701623575
Energy: 0.5377362140479105
Energy: 0.5046631337541201
Energy: 0.5656041281125608
Energy: 0.4856103833368347
Energy: 0.5383635627069273
Energy: 0.6338243511595316
Energy: 0.5660315966859234
Energy: 0.5208885042782655
Energy: 0.49581294871484904
Energy: 0.5711237783359174
Energy: 0.483110811571091
Energy: 0.5360816783237431
Energy: 0.5210337099675547
Energy: 0.5725496235846455
Energy: 0.4843614178021315
Energy: 0.48359476624690845
Energy: 0.5278482453678679
Energy: 0.5056324796048488
Energy: 0.5851451267985522
Energy: 0.5274708226003899
Energy: 0.549993729652362
Energy: 0.5389993432414492
Energy: 0.5211782498081784
Energy: 0.5648067233628665
Energy: 0.5110320768053486
Energy: 0.5774400094189741
Energy: 0.587820596944388
Energy: 0.5871803130169849
Energy: 0.514282447901539
Energy: 0.5128687276978826
Energy: 0.6642779567178156
Energy: 0.4956280105252709
Energy: 0.619598987539068
Energy: 0.5238445313651142
Energy: 0.5502008783028653
Energy: 0.6000326058975007
Energy: 0.5656562898684006
Energy: 0.5284395458832216
Energy: 0.582505650847117
Energy: 0.6015115730652563
Energy: 0.5200369358581225
Energy: 0.6695741247196151
Energy: 0.5131956236665903
Energy: 0.579426952576254
Energy: 0.5938777488139336
Energy: 0.5112798702762261
Energy: 0.663550200493173
Energy: 0.594157463864856
Energy: 0.5234962814633773
Energy: 0.6338901606379569
Energy: 0.6336945792015547
Energy: 0.6057753766609619
Energy: 0.4827555809853938
Energy: 0.5322593088281944
Energy: 0.618134840761176
Energy: 0.5414387170130439
Energy: 0.5133008690873069
Energy: 0.594745675625888
Energy: 0.5944222306576044

minimum gb energy = 0.4827555809853938 eV
minimum distance =  2.53294698764885 Angstroms
sigma value = 113


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

Energy: 0.6326989285797052
Energy: 0.6772920757918023
Energy: 0.6586993875443763
Energy: 0.6715295413005314
Energy: 0.6423735805429412
Energy: 0.6546514203158824
Energy: 0.6899495192545532
Energy: 0.6676579889626413
Energy: 0.6552563525837192
Energy: 0.6633328078195194
Energy: 0.6419873486955779
Energy: 0.6255481186906392
Energy: 0.6664189510994853
Energy: 0.7317228174568138
Energy: 0.635969107410324
Energy: 0.7110994771984388
Energy: 0.6316286452573707
Energy: 0.6710625847565322
Energy: 0.6689757037586291
Energy: 0.6256441886876789
Energy: 0.6826961000666419
Energy: 0.6253031371826283
Energy: 0.5900485240976245
Energy: 0.6177238349738728
Energy: 0.6403330296302547
Energy: 0.6430937279911599
Energy: 0.610743690300814
Energy: 0.6790717807420831
Energy: 0.6192247094435819
Energy: 0.6564731014927639
Energy: 0.6044620111307991
Energy: 0.6381726517934015
Energy: 0.6111291220178797
Energy: 0.6095936922056535
Energy: 0.655122244359139
Energy: 0.5524507934034476
Energy: 0.6418332880119182
Energy: 0.6149653250959937
Energy: 0.6185874876169835
Energy: 0.5764534634295521
Energy: 0.5807167833132937
Energy: 0.6142516560082979
Energy: 0.630617710150941
Energy: 0.6060569513464675
Energy: 0.5703486291466854
Energy: 0.5979811201561445
Energy: 0.6187370883549376
Energy: 0.5967873551620062
Energy: 0.6364830471757231
Energy: 0.5715860469426205
Energy: 0.6026371083878683
Energy: 0.628367326162961
Energy: 0.6109258483762134
Energy: 0.6210180386766385
Energy: 0.5927008986601568
Energy: 0.5619512351128854
Energy: 0.5388525291654799
Energy: 0.6365632745427593
Energy: 0.5951875124035946
Energy: 0.605507004465798
Energy: 0.5884058211733482
Energy: 0.6026296058174845
Energy: 0.5863854773949767
Energy: 0.6319486499888997
Energy: 0.6268488746933643
Energy: 0.5959815397063695
Energy: 0.6309898449530545
Energy: 0.5689353187480083
Energy: 0.596555535492476
Energy: 0.5998841232832328
Energy: 0.5732863211575784
Energy: 0.5749307089407925
Energy: 0.5876602009521178
Energy: 0.5809448489119203
Energy: 0.616281970231781
Energy: 0.5925838565901049
Energy: 0.5908070978380007
Energy: 0.6336954656064985
Energy: 0.5463700953305034
Energy: 0.6146948665100149
Energy: 0.607762407331392
Energy: 0.6294326601060322
Energy: 0.6068577780487842
Energy: 0.6121206758482413
Energy: 0.5679335724909798
Energy: 0.5672350967449383
Energy: 0.5849313489049596
Energy: 0.6119348105043738
Energy: 0.5939068241325345
Energy: 0.5873414878822196
Energy: 0.5696280001926212
Energy: 0.5904177457782047
Energy: 0.6318597391042587
Energy: 0.658098067583768
Energy: 0.5554014852967707
Energy: 0.5351047261679297
Energy: 0.6097968353366855
Energy: 0.6064032732014454
Energy: 0.5594317942903945
Energy: 0.6469937295213983
Energy: 0.590283024540289
Energy: 0.6222869039857348
Energy: 0.6051636025449825
Energy: 0.6279643520334206
Energy: 0.6087738329985359
Energy: 0.6042483728359742
Energy: 0.5587947901909182
Energy: 0.5911453253210117
Energy: 0.6176839388361882
Energy: 0.597220283899249
Energy: 0.5965642705947951
Energy: 0.6562632671959078
Energy: 0.6069697644361803
Energy: 0.6837201516499065
Energy: 0.6077589976487854
Energy: 0.6328969668989839
Energy: 0.6111731818317023
Energy: 0.6117741605010132
Energy: 0.6566871961149698
Energy: 0.5823664720229286
Energy: 0.6557588408056708
Energy: 0.617544113322909
Energy: 0.628700135450097
Energy: 0.6246151943746941
Energy: 0.6259450968843906
Energy: 0.671183054564087
Energy: 0.5936458380417204
Energy: 0.6654668668496878
Energy: 0.6296282711328289
Energy: 0.6488128675849815
Energy: 0.6866096975556656
Energy: 0.6770271776667505
Energy: 0.7005790955253636
Energy: 0.6277615351033519
Energy: 0.7104305664001513
Energy: 0.6305381191511623
Energy: 0.6809172344185769
Energy: 0.6420086426178355
Energy: 0.6109947938415832
Energy: 0.6417245528341059
Energy: 0.6363471923124164
Energy: 0.709309943819012
Energy: 0.6461696575604506
Energy: 0.704288015751667
Energy: 0.6124811748958119
Energy: 0.6074469493991078
Energy: 0.7059864319360702
Energy: 0.6442883146706546
Energy: 0.6598173220595513
Energy: 0.6518428330895428
Energy: 0.6990714596923298
Energy: 0.6123350052013717
Energy: 0.5838270038430268
Energy: 0.6937377170863437
Energy: 0.6146982017177479
Energy: 0.6272174397785553
Energy: 0.663729807182952
Energy: 0.681722451097567
Energy: 0.642671072036335
Energy: 0.6107472150137924
Energy: 0.5168340460286645
Energy: 0.6673237594870607
Energy: 0.6429171160569235
Energy: 0.6413021894945627
Energy: 0.65103293450846
Energy: 0.6297491820388174
Energy: 0.66679362257822
Energy: 0.729222425009454
Energy: 0.5852396887474032
Energy: 0.7110984199700735
Energy: 0.6305922017267455
Energy: 0.666041789903289
Energy: 0.6283573218354841
Energy: 0.6252330173976166
Energy: 0.6810998846002421
Energy: 0.6248911038660164
Energy: 0.6975446801401946
Energy: 0.6175681453751842
Energy: 0.6411045217725679
Energy: 0.6432078333493939
Energy: 0.6108910527387781
Energy: 0.6784884704974693
Energy: 0.6257876450534539
Energy: 0.6399454618125199
Energy: 0.6053615373850999
Energy: 0.6432131425730696
Energy: 0.5851246264247381
Energy: 0.6559980377471865
Energy: 0.6665258037278647
Energy: 0.5522028147608482
Energy: 0.6417143534785327
Energy: 0.6122547471597214
Energy: 0.6411532113271184
Energy: 0.5808024967559131
Energy: 0.5809429698245258
Energy: 0.6140053913776141
Energy: 0.6311621745693563
Energy: 0.5985818589110857
Energy: 0.617355625341069
Energy: 0.6015594134967822
Energy: 0.5868803931708964
Energy: 0.5614067357284126
Energy: 0.6374616665750507
Energy: 0.5539887664680967
Energy: 0.5996829771271683
Energy: 0.5850922529278699
Energy: 0.6243932744098376
Energy: 0.6117382114187906
Energy: 0.5781583011389857
Energy: 0.5651585096107189
Energy: 0.551845889811127
Energy: 0.6329073328481432
Energy: 0.604993106457167
Energy: 0.6339376792710696
Energy: 0.5896151240414842
Energy: 0.6285691033696577
Energy: 0.5859011239214753
Energy: 0.6137660843312625
Energy: 0.6199348374775655
Energy: 0.6117904555265133
Energy: 0.6046011985022905
Energy: 0.5687904080749678
Energy: 0.5931150785441669
Energy: 0.6001160792578559
Energy: 0.5719217624797794
Energy: 0.5850975529573669
Energy: 0.5711176329461082
Energy: 0.5929993429384508
Energy: 0.6141712945033211
Energy: 0.5961195960176767
Energy: 0.597710532618642
Energy: 0.6120143287139541
Energy: 0.548378133478524
Energy: 0.6052993539943714
Energy: 0.6272310264780575
Energy: 0.599372607672916
Energy: 0.6065279703285691
Energy: 0.5821233477511734
Energy: 0.5154850138530839
Energy: 0.5815419367469515
Energy: 0.5850792978994863
Energy: 0.6112391072860228
Energy: 0.5985038220292382
Energy: 0.5955235918853365
Energy: 0.5686592329268194
Energy: 0.6300373832804353
Energy: 0.6270662062988671
Energy: 0.6686410504452583
Energy: 0.5761456451386245
Energy: 0.5268769407420258
Energy: 0.6224734337072175
Energy: 0.5824304953519802
Energy: 0.5590630179894289
Energy: 0.6469439084052407
Energy: 0.5900484561128304
Energy: 0.6228494914848803
Energy: 0.5585627061014672
Energy: 0.598241059769979
Energy: 0.6085788416672626
Energy: 0.6072113055241878
Energy: 0.6246930402897951
Energy: 0.5917508208400154
Energy: 0.583426910739119
Energy: 0.600106506478186
Energy: 0.5976817282171883
Energy: 0.6554362971972593
Energy: 0.6061765114327567
Energy: 0.6731606584441381
Energy: 0.6078295357941984
Energy: 0.6422591627735728
Energy: 0.612931122734018
Energy: 0.5846196514676723
Energy: 0.666415112318373
Energy: 0.5832158910268607
Energy: 0.6553475803646625
Energy: 0.5949010971523312
Energy: 0.6287614703824623
Energy: 0.6599163155697655
Energy: 0.627059099362925
Energy: 0.6429600962548985
Energy: 0.6374355785489708
Energy: 0.6673068867876798
Energy: 0.6394175382598488
Energy: 0.6203717492453036
Energy: 0.6878519274577527
Energy: 0.6850050881738541
Energy: 0.6727748015573859
Energy: 0.6365244934291032
Energy: 0.6830018253698046
Energy: 0.6329523983497778
Energy: 0.6658338835207619
Energy: 0.6425058772380751
Energy: 0.6097742702717617
Energy: 0.6412341262574053
Energy: 0.6370009600502405
Energy: 0.707525740910491
Energy: 0.647089330535258
Energy: 0.6506609085840475
Energy: 0.6147541758468777
Energy: 0.6096906041986527
Energy: 0.7060493956309202
Energy: 0.6402698923750668
Energy: 0.6614875534279232
Energy: 0.6512352666784488
Energy: 0.6760068399199545
Energy: 0.6124633361216388
Energy: 0.6073965180425334
Energy: 0.6938747589047528
Energy: 0.6142606274620882
Energy: 0.6273030409679468
Energy: 0.6613822299810382
Energy: 0.682065138314022
Energy: 0.6433371123270777
Energy: 0.6142524213002851
Energy: 0.5177656862106852

minimum gb energy = 0.5154850138530839 eV
minimum distance =  2.47821142580708 Angstroms
sigma value = 365


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

Energy: 0.5790738460327647
Energy: 0.5995196564202291
Energy: 0.5818855333287191
Energy: 0.6029800084639961
Energy: 0.6017083447357566
Energy: 0.5838623415012226
Energy: 0.6000772083688415
Energy: 0.5510369377431908
Energy: 0.6916963240971398
Energy: 0.5451461580323913
Energy: 0.5235092587724061
Energy: 0.5417794499586853
Energy: 0.5414027029030299
Energy: 0.6916082081733326
Energy: 0.5413706637041024
Energy: 0.6917430604216144
Energy: 0.5440673689408463
Energy: 0.5414504279814959
Energy: 0.5415644973932034
Energy: 0.5452439387639452
Energy: 0.5223047344663008
Energy: 0.5421332016060635
Energy: 0.75476741639644
Energy: 0.5443181372941244
Energy: 0.5415103670150848
Energy: 0.5414880045073021
Energy: 0.5417103976200097
Energy: 0.5419593098882384
Energy: 0.5501472130620824
Energy: 0.691534833834518
Energy: 0.5500991311953565
Energy: 0.6912364383824516
Energy: 0.5226220998078488
Energy: 0.5507730701860558
Energy: 0.691443410824633
Energy: 0.5426667036111867
Energy: 0.754699922212644
Energy: 0.5416521418319346
Energy: 0.5420367138025259
Energy: 0.5418316011423059
Energy: 0.5417720988345985
Energy: 0.5998676005149912
Energy: 0.5417357449430588
Energy: 0.691766530557755
Energy: 0.544172451931565
Energy: 0.5414661989097658
Energy: 0.5415055048402384
Energy: 0.5454900299576778
Energy: 0.6915408697729243
Energy: 0.5414299540657362
Energy: 0.6917253693728482
Energy: 0.543920230266905
Energy: 0.5414539511658871
Energy: 0.5413203584516795
Energy: 0.5451179290067713
Energy: 0.691299903268222
Energy: 0.5428977836307487
Energy: 0.7546624775975022
Energy: 0.5419555275965637
Energy: 0.5418153825447019
Energy: 0.5417134454128618
Energy: 0.5420461600007177
Energy: 0.6002405558878131
Energy: 0.5499214764533412
Energy: 0.6913446637054796
Energy: 0.5498872246274831
Energy: 0.6957048742717709
Energy: 0.6946180129055597
Energy: 0.5505479334994364
Energy: 0.6913577315345327
Energy: 0.5423438701866585
Energy: 0.7543131475714886
Energy: 0.5418148730754428
Energy: 0.5415514516980358
Energy: 0.5416452540438669
Energy: 0.541959614374209
Energy: 0.5418208669390141
Energy: 0.5411979149805237
Energy: 0.6915415047667878
Energy: 0.544023896239329
Energy: 0.5413210078695763
Energy: 0.5414193051909008
Energy: 0.5450363192062115
Energy: 0.6915077431778038
Energy: 0.5418227069584822
Energy: 0.6915482413289383
Energy: 0.5444363124746919
Energy: 0.541671940333212
Energy: 0.5416146421102666
Energy: 0.5456150472558348
Energy: 0.691550910470706
Energy: 0.5424925514731487
Energy: 0.6916943422152732
Energy: 0.5417149988335941
Energy: 0.6023138245088744
Energy: 0.5421241033074673
Energy: 0.5415237175645742
Energy: 0.5997302902018972
Energy: 0.550401881435412
Energy: 0.6915657526870694
Energy: 0.5503746704205096
Energy: 0.5231077854171323
Energy: 0.5418294119955624
Energy: 0.5413823086076858
Energy: 0.6913999974935153
Energy: 0.5418861321534524
Energy: 0.691827805747645
Energy: 0.5442105596495793
Energy: 0.5413388683314256
Energy: 0.5415282602918485
Energy: 0.5416120135381802
Energy: 0.5416922226985479
Energy: 0.5420045896020593
Energy: 0.6914703474770795
Energy: 0.5442094941438246
Energy: 0.5414595419180114
Energy: 0.5414298495704879
Energy: 0.5453791752619436
Energy: 0.5414682717653897
Energy: 0.5506255742984698
Energy: 0.6914773657449146
Energy: 0.5413267933453143
Energy: 0.5418737771883757
Energy: 0.5415704035972344
Energy: 0.5417370231074825
Energy: 0.6914019121575319
Energy: 0.5414621268007528
Energy: 0.691509711415553
Energy: 0.5416755868808901
Energy: 0.6029347790471722
Energy: 0.6013310141942415
Energy: 0.5416311237734424
Energy: 0.5997417859326499
Energy: 0.5420381654568649
Energy: 0.6917162233529903
Energy: 0.5447260907777877
Energy: 0.5236268209566014
Energy: 0.5417096858387074
Energy: 0.5455526198158083
Energy: 0.6917162864577571

minimum gb energy = 0.5223047344663008 eV
minimum distance =  2.44837862389255 Angstroms
sigma value = 23