Model name: model_name=EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_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=4.040926471352577
cohesive_energy=3.905455928316686
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014791980250903562
Energy: 0.2453552209067871
Energy: 0.15720464627142378
Energy: 0.24541520386571417
Energy: 0.01479198025010663
Energy: 0.2453552209053754
Energy: 0.15720464627201577
Energy: 0.2620770848536573
Energy: 0.015198599954933674
Energy: 0.13384213248598373
Energy: 0.01517474485727621
Energy: 0.26207708485347514
Energy: 0.01519859995233795
Energy: 0.1338421324863936
Energy: 0.014791980250698637
Energy: 0.24535522090699202
Energy: 0.15720464627142378
Energy: 0.2454152038659191
Energy: 0.014791980249901705
Energy: 0.2453552209053754
Energy: 0.15720464627201577
Energy: 0.2620770848538622
Energy: 0.015198599955138602
Energy: 0.13384213248557386
Energy: 0.01517474485686636
Energy: 0.26207708485347514
Energy: 0.015198599952542876
Energy: 0.1338421324863936
Energy: 0.014791980250903562
Energy: 0.24535522090658216
Energy: 0.15720464627142378
Energy: 0.24541520386530433
Energy: 0.014791980250516482
Energy: 0.2453552209053754
Energy: 0.1572046462716287
Energy: 0.2620770848538622
Energy: 0.015198599955548453
Energy: 0.13384213248557386
Energy: 0.015174744857071286
Energy: 0.26207708485347514
Energy: 0.015198599952133022
Energy: 0.13384213248657575

minimum gb energy = 0.014791980249901705 eV
minimum distance =  2.83169727131096 Angstroms
sigma value = 5


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

Energy: 0.6233236928788279
Energy: 0.6402425276220852
Energy: 0.6429597959316731
Energy: 0.6400715646740954
Energy: 0.6233236928837237
Energy: 0.6402425276245333
Energy: 0.6429597959390168
Energy: 0.5831328922825929
Energy: 0.5813770090391627
Energy: 0.6071946277154695
Energy: 0.5941249233479124
Energy: 0.5831328922752491
Energy: 0.5813770090269229
Energy: 0.6071946277277092
Energy: 0.5735630703190395
Energy: 0.5837189281755407
Energy: 0.6317482663702163
Energy: 0.5870977712136966
Energy: 0.5735630702921568
Energy: 0.5837189281779886
Energy: 0.6317482663653204
Energy: 0.618359710167671
Energy: 0.6034028920079317
Energy: 0.6611601924110694
Energy: 0.5895943351193386
Energy: 0.6183597101603272
Energy: 0.6034028920177233
Energy: 0.6611601924233089
Energy: 0.5750872744038996
Energy: 0.5686883243207437
Energy: 0.6411985453617378
Energy: 0.5980357620105636
Energy: 0.575087274394108
Energy: 0.568688324345223
Energy: 0.641198545339751
Energy: 0.5955090000371536
Energy: 0.6115859171503768
Energy: 0.6005203362324358
Energy: 0.5879376819017277
Energy: 0.5955090000591405
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Energy: 0.6005203362226442
Energy: 0.5701832884151985
Energy: 0.6050510095418927
Energy: 0.7005372236884028
Energy: 0.6077515703170674
Energy: 0.570183288412795
Energy: 0.6050510095443407
Energy: 0.6484852077121871
Energy: 0.5707160476387857
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Energy: 0.7092564567970217
Energy: 0.6031543653895419
Energy: 0.5707160476485774
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Energy: 0.5656407364337922
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Energy: 0.6560738707218895
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Energy: 0.6313051888360959
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Energy: 0.6690580827788151
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Energy: 0.6690580827665754
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Energy: 0.6420458418885362
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Energy: 0.5743398333376478
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Energy: 0.6753926498849945
Energy: 0.6004725453675025
Energy: 0.6045850721835521
Energy: 0.6388202107914861
Energy: 0.6753926498874424
Energy: 0.5863787652311173
Energy: 0.5898124378701406
Energy: 0.6006162316299531
Energy: 0.5945826872958907
Energy: 0.5863787652164296
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Energy: 0.6006162316201613
Energy: 0.5756561958936226
Energy: 0.5725887324584912
Energy: 0.6163529890327857
Energy: 0.5929024607777875
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Energy: 0.5896666646433429
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Energy: 0.6062430551632633
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Energy: 0.5824506531440115
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Energy: 0.5734243865357399
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Energy: 0.6125541671955368
Energy: 0.6389870436256389
Energy: 0.5832051433134537
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Energy: 0.5883219619892653
Energy: 0.6084721166111322
Energy: 0.6242454409531624
Energy: 0.5905625543489141
Energy: 0.5883219619819215
Energy: 0.6084721165964447
Energy: 0.6148623284853052
Energy: 0.5882234546577375
Energy: 0.6034061588692583
Energy: 0.5873225414806681
Energy: 0.6148623284828573
Energy: 0.5882234546601854
Energy: 0.6034061588692583
Energy: 0.5999181692448999
Energy: 0.6120341446055843
Energy: 0.6560244184665098
Energy: 0.612156963023304
Energy: 0.5999181692375561
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Energy: 0.6560244184518221
Energy: 0.6020679900088682
Energy: 0.596741371950982
Energy: 0.6548014792111448
Energy: 0.5882926572220103
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Energy: 0.6812777663819914
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Energy: 0.600467636413218
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Energy: 0.5827890110030751
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Energy: 0.6950692230672758
Energy: 0.6039594941530527
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Energy: 0.6950692230672758
Energy: 0.5719494591859272
Energy: 0.5800598610484586
Energy: 0.6279561276412585
Energy: 0.6023870706498698
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Energy: 0.6833020500897891
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Energy: 0.5661825460070378
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Energy: 0.5980502246042658
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Energy: 0.6257679692715871
Energy: 0.5970278048395891
Energy: 0.5969864081382462
Energy: 0.6394126547681642
Energy: 0.5946340484611419
Energy: 0.5970278048371411
Energy: 0.5969864081430976
Energy: 0.6394126547632685
Energy: 0.6024059197484051
Energy: 0.6066770828256058
Energy: 0.6279052520213345
Energy: 0.594831911017897
Energy: 0.6024059197508531
Energy: 0.6066770828378456
Energy: 0.6279052520139907
Energy: 0.6102441150087997
Energy: 0.5826050404563168
Energy: 0.6423356644308934
Energy: 0.6032159118211364
Energy: 0.6102441149892163
Energy: 0.5826050404391813
Energy: 0.6423356644406852
Energy: 0.6017362565110351
Energy: 0.5820647876284104
Energy: 0.6413125588368822
Energy: 0.5853465600088077
Energy: 0.6017362565208269
Energy: 0.5820647876112748
Energy: 0.6413125588270906
Energy: 0.6291011787712958
Energy: 0.5942945913580299
Energy: 0.6559861404162188
Energy: 0.6095828822822877
Energy: 0.629101178761504
Energy: 0.5942945913433423
Energy: 0.6559861403990833
Energy: 0.6011117380449956
Energy: 0.5972084849879823
Energy: 0.63585643243287
Energy: 0.6179531755945477
Energy: 0.6011117380596832
Energy: 0.597208484997774
Energy: 0.6358564324181825
Energy: 0.5660004440657169
Energy: 0.5859974799908118
Energy: 0.6587924935467485
Energy: 0.5860018998069619
Energy: 0.5660004440534773
Energy: 0.5859974799957075
Energy: 0.658792493527165
Energy: 0.5751553790624303
Energy: 0.6092814871314666
Energy: 0.6885994908365539
Energy: 0.6117108930977612
Energy: 0.5751553790453393
Energy: 0.6092814871314666
Energy: 0.688599490831658
Energy: 0.5657275078365244
Energy: 0.6038205169930506
Energy: 0.6156603834439055
Energy: 0.5782284947094294
Energy: 0.565727507831673
Energy: 0.6038205169906028
Energy: 0.6156603834439055

minimum gb energy = 0.5656407364337922 eV
minimum distance =  2.54521758060352 Angstroms
sigma value = 401


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

Energy: 0.641802783797945
Energy: 0.5906066191953474
Energy: 0.6545697823338498
Energy: 0.5917121355057614
Energy: 0.641802783797945
Energy: 0.5906066191920132
Energy: 0.6545697823432972
Energy: 0.5743230076068874
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Energy: 0.5902432268261465
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Energy: 0.6642905632781972
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Energy: 0.5853873709768647
Energy: 0.5936273326255049
Energy: 0.6423699146107822
Energy: 0.580135010137125
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Energy: 0.5840999435338694
Energy: 0.5834680062605956
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Energy: 0.5808294197758789
Energy: 0.5840999435402855
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Energy: 0.5899080853287945
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Energy: 0.5725807454784595
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Energy: 0.6641580605666398
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Energy: 0.5901354858291853
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Energy: 0.5899080853221257
Energy: 0.6110584102152083
Energy: 0.6020749449376211
Energy: 0.5744387120765729
Energy: 0.6110783831830475
Energy: 0.5874472361378548
Energy: 0.6020749449303968
Energy: 0.5744387120904662
Energy: 0.6110783831911308
Energy: 0.5746170691189763
Energy: 0.580701120731405
Energy: 0.6210339620487779
Energy: 0.5792701339272034
Energy: 0.5746170691114485
Energy: 0.5807011207478243
Energy: 0.6210339620587811
Energy: 0.5854874231246872
Energy: 0.6201015178451982
Energy: 0.6073797497623274
Energy: 0.5814838621747367
Energy: 0.5854874231194329
Energy: 0.6201015178493409
Energy: 0.6073797497548504
Energy: 0.5851699393797282
Energy: 0.5945548239593221
Energy: 0.6243482635132385
Energy: 0.5799682817958804
Energy: 0.5851699393772527
Energy: 0.5945548239617976
Energy: 0.6243482635171287
Energy: 0.5751535229970611
Energy: 0.5813762797300283
Energy: 0.6258642927248581
Energy: 0.5849975231724064
Energy: 0.575153523005397
Energy: 0.5813762797172464
Energy: 0.6258642927084893
Energy: 0.5755661401064741
Energy: 0.5807331527190739
Energy: 0.6582015673525523
Energy: 0.5867615054148804
Energy: 0.5755661401042512
Energy: 0.5807331527179623
Energy: 0.6582015673581095
Energy: 0.62122475268027
Energy: 0.5906066191925687
Energy: 0.6545697823347086
Energy: 0.5917121355032859
Energy: 0.6212247526741569
Energy: 0.5906066191900933
Energy: 0.6545697823436004
Energy: 0.5743230076041088
Energy: 0.5804526733886961
Energy: 0.6642905632796118
Energy: 0.5909163818529338
Energy: 0.5743230076002187
Energy: 0.580452673389555
Energy: 0.6642905632768331

minimum gb energy = 0.5719024159831871 eV
minimum distance =  2.54434285978992 Angstroms
sigma value = 311


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

Energy: 0.5872865359097394
Energy: 0.5702379886859743
Energy: 0.6468710392038158
Energy: 0.5701040323293584
Energy: 0.5872865359138811
Energy: 0.5702379886814823
Energy: 0.6429868876212487
Energy: 0.6215547192601825
Energy: 0.5819579795113112
Energy: 0.6295220830747755
Energy: 0.576515867583961
Energy: 0.6215547192579365
Energy: 0.5819579795100277
Energy: 0.6295220830783049
Energy: 0.5862370662169366
Energy: 0.5790251643058564
Energy: 0.6407158195127499
Energy: 0.5962125080880473
Energy: 0.5862370662211076
Energy: 0.579025164304252
Energy: 0.6407158195133916
Energy: 0.5836088454502797
Energy: 0.571772525029056
Energy: 0.6302800706242495
Energy: 0.5666195675858356
Energy: 0.583608845451884
Energy: 0.5717725250313019
Energy: 0.6302800706197577
Energy: 0.5898969589213707
Energy: 0.572461737179849
Energy: 0.6712673689256993
Energy: 0.5878482299950049
Energy: 0.5898969589213707
Energy: 0.5724617371785657
Energy: 0.6612897132108506
Energy: 0.5778114148719581
Energy: 0.5837712141635918
Energy: 0.6287594074780178
Energy: 0.6002311184238805
Energy: 0.577811414878696
Energy: 0.5837712141549288
Energy: 0.6287594074818681
Energy: 0.5828341000950925
Energy: 0.61905678753152
Energy: 0.6281921798705551
Energy: 0.5938059709666322
Energy: 0.5828341000995844
Energy: 0.6190567875334453
Energy: 0.623430481726372
Energy: 0.5776579306372388
Energy: 0.5722396222297101
Energy: 0.6638316764889622
Energy: 0.5755947107922466
Energy: 0.5776579306346719
Energy: 0.5722396222248973
Energy: 0.6638316764928125
Energy: 0.5938820612865983
Energy: 0.5757928833695282
Energy: 0.6776561598536466
Energy: 0.5750922437176695
Energy: 0.5938820612878817
Energy: 0.5757928833753034
Energy: 0.6408343857135359
Energy: 0.5730130860918042
Energy: 0.5909010450749709
Energy: 0.6570477751503441
Energy: 0.572184906388872
Energy: 0.5730130860966169
Energy: 0.59090104507465
Energy: 0.6570477751545152
Energy: 0.6167580443468664
Energy: 0.6057915837275841
Energy: 0.6302921263638224
Energy: 0.5767706041482393
Energy: 0.6167580443487914
Energy: 0.6057915837266217
Energy: 0.6302921263641432
Energy: 0.5891995750448135
Energy: 0.5872051371552814
Energy: 0.645524138501795
Energy: 0.5955034581213382
Energy: 0.5891995750422466
Energy: 0.5872051371556023
Energy: 0.6455241384992283
Energy: 0.5953610994695309
Energy: 0.577518667006389
Energy: 0.634788661024054
Energy: 0.5703555595281921
Energy: 0.5953610994714561
Energy: 0.5775186670095976
Energy: 0.6347886610269418
Energy: 0.5807143377881104
Energy: 0.5781815928042167
Energy: 0.6269678581298616
Energy: 0.5854225998725131
Energy: 0.5807143377881104
Energy: 0.5781815928022915
Energy: 0.6269678581282574
Energy: 0.5933206589719969
Energy: 0.5742000016290736
Energy: 0.6316740224534461
Energy: 0.5757461865560839
Energy: 0.5933206589748844
Energy: 0.5742000016290736
Energy: 0.6316740224585798
Energy: 0.5860796971081172
Energy: 0.578264795344169
Energy: 0.6339450953873502
Energy: 0.5859207238544107
Energy: 0.5860796971045878
Energy: 0.5782647953435274
Energy: 0.6339450953895961
Energy: 0.6187324969923351
Energy: 0.5843591588878492
Energy: 0.6302485051414322
Energy: 0.6042631952572
Energy: 0.6187324969920143
Energy: 0.5843591588923414
Energy: 0.6302485051452824
Energy: 0.5773067276577745
Energy: 0.5737801226337216
Energy: 0.6068882004080752
Energy: 0.5954324065285379
Energy: 0.5773067276564912
Energy: 0.573780122632438
Energy: 0.6068882004022998
Energy: 0.5891162144998666
Energy: 0.5717057538093114
Energy: 0.6649611734384527
Energy: 0.5743276803999712
Energy: 0.5891162144982623
Energy: 0.5717057538070655
Energy: 0.6649611734342817
Energy: 0.5991761333997426
Energy: 0.5751410747996049
Energy: 0.6635007185946685
Energy: 0.5720383012390354
Energy: 0.5991761333994218
Energy: 0.5751410748040969
Energy: 0.66350071859146
Energy: 0.5779225892433357
Energy: 0.5923051689072234
Energy: 0.6387852262836438
Energy: 0.5940284587288577
Energy: 0.5779225892436566
Energy: 0.5923051689036941
Energy: 0.644310552058431
Energy: 0.5778537656636679
Energy: 0.6073609743920855
Energy: 0.6275986319920187
Energy: 0.5689042627323311
Energy: 0.5778537656601385
Energy: 0.6073609743943316
Energy: 0.6275986319968314
Energy: 0.5901168243221112
Energy: 0.5851072508035248
Energy: 0.6549178704655351
Energy: 0.57250379402517
Energy: 0.5901168243230738
Energy: 0.5851072508070542
Energy: 0.6549178704690646
Energy: 0.5819310483843957
Energy: 0.5775272869041949
Energy: 0.6558457368935243
Energy: 0.581363971144782
Energy: 0.5819310483795829
Energy: 0.5775272869057991
Energy: 0.655845736896412
Energy: 0.5877973825646076
Energy: 0.5866805575574962
Energy: 0.6605354750270571
Energy: 0.580032988136422
Energy: 0.5877973825684577
Energy: 0.5866805575546085
Energy: 0.6074717332762921
Energy: 0.6177378885851584
Energy: 0.6006414978865994
Energy: 0.6116923172619724
Energy: 0.5693270749923065
Energy: 0.6177378885845168
Energy: 0.6006414978811448
Energy: 0.611692317260689
Energy: 0.5889882053869135
Energy: 0.5701309401718326
Energy: 0.6699605570931024
Energy: 0.5706811747915616
Energy: 0.5889882053865927
Energy: 0.5701309401660574
Energy: 0.6489409477757611
Energy: 0.6021997649988299
Energy: 0.5792819490125501
Energy: 0.6130717042843629
Energy: 0.6043851002851373
Energy: 0.6021997650007551
Energy: 0.579281949010625
Energy: 0.6130717042811544
Energy: 0.5823421236896585
Energy: 0.5783439067155919
Energy: 0.660225146375074
Energy: 0.586959809522525
Energy: 0.5823421236912629
Energy: 0.5783439067098165
Energy: 0.6437227950196421
Energy: 0.5779273898547002
Energy: 0.5730526635082763
Energy: 0.6273654043553102
Energy: 0.5662372072902309
Energy: 0.5779273898521335
Energy: 0.5730526635095597
Energy: 0.6273654043572353
Energy: 0.590175397598541
Energy: 0.5724001957883801
Energy: 0.6465029168451604
Energy: 0.5858734006783329
Energy: 0.590175397596616
Energy: 0.5724001957880593
Energy: 0.6527014473695701
Energy: 0.5838895403478219
Energy: 0.5681262886227477
Energy: 0.6252823334539025
Energy: 0.5775091921984128
Energy: 0.5838895403484637
Energy: 0.5681262886253144
Energy: 0.6252823334526193
Energy: 0.5837458847103931
Energy: 0.6236326607479958
Energy: 0.6457800609992923
Energy: 0.5923777773245066
Energy: 0.5837458847036552
Energy: 0.6236326607512043
Energy: 0.6358429635231228
Energy: 0.5775892507738725
Energy: 0.5733857556689611
Energy: 0.6825470963573476
Energy: 0.5764523477847143
Energy: 0.5775892507741933
Energy: 0.5733857556696028
Energy: 0.6825470963573476
Energy: 0.5842617934308878
Energy: 0.5776488846508843
Energy: 0.6621427071677655
Energy: 0.5732245233516989
Energy: 0.5842617934324921
Energy: 0.5776488846463924
Energy: 0.6621427071664822
Energy: 0.5756061709429182
Energy: 0.5949341329289134
Energy: 0.6543771669462506
Energy: 0.5720583117684586
Energy: 0.5756061709429182
Energy: 0.5949341329308385
Energy: 0.6543771669481757

minimum gb energy = 0.5662372072902309 eV
minimum distance =  2.55556073358091 Angstroms
sigma value = 39


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

Energy: 0.5559081461544563
Energy: 0.5729509359720272
Energy: 0.6242181955319113
Energy: 0.5729433839314807
Energy: 0.5559081461646802
Energy: 0.5729509359727846
Energy: 0.6069813132447073
Energy: 0.5479765037809159
Energy: 0.5949324079165731
Energy: 0.5738995337555869
Energy: 0.597470974596669
Energy: 0.5479765037767506
Energy: 0.5949324079124079
Energy: 0.5738995337529362
Energy: 0.5570446672731351
Energy: 0.5331590631366636
Energy: 0.5853901928371643
Energy: 0.5577567641784753
Energy: 0.5570446672731351
Energy: 0.5331590631400717
Energy: 0.5853901928303483
Energy: 0.5484244805330567
Energy: 0.5951716480103098
Energy: 0.5741469967771464
Energy: 0.6135276116410335
Energy: 0.5484244805341927
Energy: 0.5951716480152326
Energy: 0.5741469967839624
Energy: 0.5968391824533856
Energy: 0.5570567187831406
Energy: 0.5561450436145006
Energy: 0.5578839885146764
Energy: 0.5968391824579294
Energy: 0.5570567187804898
Energy: 0.5561450436133989
Energy: 0.5484684757704014
Energy: 0.6081955499843579
Energy: 0.6264529214124807
Energy: 0.5889702203549033
Energy: 0.5484684757632068
Energy: 0.6081955499953393
Energy: 0.6264529214177821
Energy: 0.6437045481058156
Energy: 0.5575873754074187
Energy: 0.6002670591815057
Energy: 0.5569160115408172
Energy: 0.6437045480974848
Energy: 0.5575873754070402
Energy: 0.5832696694375447
Energy: 0.5485666924309226
Energy: 0.5584367150954109
Energy: 0.6259167353809959
Energy: 0.5575213988035549
Energy: 0.548566692432816
Energy: 0.5584367150991977
Energy: 0.6259167353719425
Energy: 0.64370471477747
Energy: 0.556891247897957
Energy: 0.6085654851271387
Energy: 0.5575617500036331
Energy: 0.6437047147888302
Energy: 0.5568912478983357
Energy: 0.5886032301154022
Energy: 0.5485489126765535
Energy: 0.5897196385550108
Energy: 0.626365517385288
Energy: 0.5786763967302972
Energy: 0.5485489126746602
Energy: 0.589719638551224
Energy: 0.626365517378885
Energy: 0.596818102037983
Energy: 0.557762555349574
Energy: 0.6443908459595651
Energy: 0.5571048871672618
Energy: 0.5968181020421485
Energy: 0.5577625553484381
Energy: 0.6443908459557784
Energy: 0.5483676797006787
Energy: 0.6134667747478217
Energy: 0.5742725693147726
Energy: 0.5949210115173655
Energy: 0.5483676796942414
Energy: 0.6134667747504723
Energy: 0.5742725693196952
Energy: 0.555862454385278
Energy: 0.5577848621453622
Energy: 0.5929354400514005
Energy: 0.5331359223731204
Energy: 0.5558624543841421
Energy: 0.5577848621411968
Energy: 0.5940037621801357
Energy: 0.547939667519663
Energy: 0.5973570322169528
Energy: 0.5738568549549021
Energy: 0.5949191686604898
Energy: 0.547939667523071
Energy: 0.5973570322203606
Energy: 0.573856854961718
Energy: 0.5559081461533202
Energy: 0.5729509359754352
Energy: 0.6010249491901766
Energy: 0.5729433839337527
Energy: 0.5559081461631656
Energy: 0.5729509359739207
Energy: 0.6005670086890907
Energy: 0.5479765037816733
Energy: 0.5949324079165731
Energy: 0.5738995337544508
Energy: 0.5974709745962904
Energy: 0.5479765037790226
Energy: 0.5949324079131652
Energy: 0.5738995337502856
Energy: 0.5570446672738923
Energy: 0.5331590631366636
Energy: 0.5853901928394364
Energy: 0.5577567641784753
Energy: 0.5570446672708631
Energy: 0.5331590631393142
Energy: 0.5853901928288336
Energy: 0.548424480533814
Energy: 0.5951716480110671
Energy: 0.5741469967748745
Energy: 0.6135276116410335
Energy: 0.5484244805360861
Energy: 0.595171648016747
Energy: 0.5741469967839624
Energy: 0.5968391824522495
Energy: 0.5570567187816258
Energy: 0.5561450436115056
Energy: 0.557883988515055
Energy: 0.5968391824571722
Energy: 0.5570567187801112
Energy: 0.5561450436137776
Energy: 0.5484684757722947
Energy: 0.6081955499839793
Energy: 0.6264529214090728
Energy: 0.5889702203538016
Energy: 0.5484684757635855
Energy: 0.6081955499960966
Energy: 0.6264529214177821
Energy: 0.6437045481039222
Energy: 0.5575873754051468
Energy: 0.5841371284919121
Energy: 0.5569160115427104
Energy: 0.6437045480967275
Energy: 0.5575873754055254
Energy: 0.5841371284881256
Energy: 0.5485666924301653
Energy: 0.558436715093139
Energy: 0.6259167353809959
Energy: 0.5575213988027975
Energy: 0.5485666924320586
Energy: 0.5584367151007122
Energy: 0.6259167353708064
Energy: 0.6437047147793634
Energy: 0.5568912478968211
Energy: 0.5991398797802691
Energy: 0.5575617500047692
Energy: 0.6437047147888302
Energy: 0.556891247894549
Energy: 0.6068697428453533
Energy: 0.5485489126792042
Energy: 0.5897196385580401
Energy: 0.6263655173837733
Energy: 0.5786763967314332
Energy: 0.5485489126788256
Energy: 0.5897196385516028
Energy: 0.626365517380021
Energy: 0.596818102041391
Energy: 0.5577625553480593
Energy: 0.6431030591405681
Energy: 0.5571048871665044
Energy: 0.596818102044799
Energy: 0.5577625553465446
Energy: 0.6745219813266646
Energy: 0.5483676796984067
Energy: 0.6134667747493362
Energy: 0.5742725693147726
Energy: 0.5949210115166084
Energy: 0.5483676796931053
Energy: 0.6134667747523657
Energy: 0.5742725693208313
Energy: 0.5558624543860353
Energy: 0.5577848621449835
Energy: 0.5990902567677341
Energy: 0.5331359223746351
Energy: 0.5558624543856567
Energy: 0.5577848621389249
Energy: 0.5990902567711419
Energy: 0.547939667519663
Energy: 0.5973570322180888
Energy: 0.5738568549560381
Energy: 0.5949191686608685
Energy: 0.5479396675257218
Energy: 0.5973570322196033
Energy: 0.5738568549632328
Energy: 0.555908146153699
Energy: 0.5729509359731632
Energy: 0.6101544792188662
Energy: 0.5729433839318595
Energy: 0.5559081461635442
Energy: 0.5729509359735419
Energy: 0.6068842919484962
Energy: 0.5479765037812946
Energy: 0.5949324079158158
Energy: 0.5738995337552082
Energy: 0.5974709745962904
Energy: 0.547976503777508
Energy: 0.5949324079124079
Energy: 0.573899533752179

minimum gb energy = 0.5331359223731204 eV
minimum distance =  2.60887232389063 Angstroms
sigma value = 21


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

Energy: 0.6150924882841782
Energy: 0.6341987596679196
Energy: 0.6086177966440326
Energy: 0.5916970167069172
Energy: 0.6150924882818798
Energy: 0.63419875966746
Energy: 0.6086177966477101
Energy: 0.573542783841537
Energy: 0.5599471484932791
Energy: 0.6057690783419629
Energy: 0.5938857572589262
Energy: 0.5735427838378595
Energy: 0.5599471484914403
Energy: 0.6057690783415034
Energy: 0.5740919600412522
Energy: 0.5885365646645739
Energy: 0.6171149086842064
Energy: 0.5501535634441096
Energy: 0.5740919600412522
Energy: 0.5885365646604367
Energy: 0.6171149086832871
Energy: 0.57535555466399
Energy: 0.5583302549148508
Energy: 0.5983867029697526
Energy: 0.5646998366316426
Energy: 0.57535555466399
Energy: 0.5583302549180476
Energy: 0.5983867029702121
Energy: 0.5746015253584734
Energy: 0.5860491273801193
Energy: 0.5663361023251506
Energy: 0.5630964272803065
Energy: 0.5746015253598525
Energy: 0.5860491273856355
Energy: 0.5663361023242313
Energy: 0.5738197802305498
Energy: 0.5482234931390092
Energy: 0.5864432319713185
Energy: 0.5742009206598286
Energy: 0.5738197802323886
Energy: 0.5482234931403883
Energy: 0.5864432319722379
Energy: 0.5850785962031698
Energy: 0.5789594230573244
Energy: 0.6080723838269642
Energy: 0.5687137608240195
Energy: 0.58507859620271
Energy: 0.5789594230600825
Energy: 0.608072383830161
Energy: 0.5843010998333931
Energy: 0.5429436967184837
Energy: 0.5882254557341821
Energy: 0.587441044501283
Energy: 0.5843010998287961
Energy: 0.542943696718024
Energy: 0.5882254557360208
Energy: 0.5849562884650437
Energy: 0.5748990500331751
Energy: 0.5874879409037271
Energy: 0.573378379432906
Energy: 0.5849562884650437
Energy: 0.5748990500354734
Energy: 0.5874879409037271
Energy: 0.5859749527677739
Energy: 0.5482633986701908
Energy: 0.5960293724827189
Energy: 0.5700583790561246
Energy: 0.5859749527627384
Energy: 0.5482633986706504
Energy: 0.596029372484098
Energy: 0.5854423833411206
Energy: 0.5791623278961159
Energy: 0.5761889514427553
Energy: 0.5691389532037174
Energy: 0.5854423833374433
Energy: 0.5791623278979546
Energy: 0.5761889514427553
Energy: 0.5486363027883542
Energy: 0.575301000380049
Energy: 0.584854710154929
Energy: 0.5474518612331819
Energy: 0.5486363027883542
Energy: 0.5753010003795893
Energy: 0.5848547101563081
Energy: 0.5845609402504974
Energy: 0.5696189213249755
Energy: 0.577833567275684
Energy: 0.5659563003065358
Energy: 0.5845609402527958
Energy: 0.5696189213291126
Energy: 0.577833567277063
Energy: 0.5298447525991347
Energy: 0.5895762976030384
Energy: 0.5853643989314723
Energy: 0.5485977152247692
Energy: 0.529844752597296
Energy: 0.5895762975966027
Energy: 0.5853643989337708
Energy: 0.5805731363567128
Energy: 0.5407559297095564
Energy: 0.5769375184882098
Energy: 0.5949253929936795
Energy: 0.5805731363571724
Energy: 0.5407559296999032
Energy: 0.5769375184872905
Energy: 0.5565322753764542
Energy: 0.6029198503130047
Energy: 0.5886608847282054
Energy: 0.5965182805076031
Energy: 0.5565322753727766
Energy: 0.602919850313924
Energy: 0.5886608847277458
Energy: 0.5774624733675512
Energy: 0.5526827690085997
Energy: 0.6157078373386521
Energy: 0.5950005695832667
Energy: 0.5774624733670914
Energy: 0.5526827690095192
Energy: 0.6157078373400312
Energy: 0.529590672652833
Energy: 0.5814226642884223
Energy: 0.5648248902330322
Energy: 0.5842846686421904
Energy: 0.5295906726519137
Energy: 0.5814226642879626
Energy: 0.5648248902330322
Energy: 0.5880494484680451
Energy: 0.5366486835469053
Energy: 0.6281518454659353
Energy: 0.5509198668118412
Energy: 0.5880494484694242
Energy: 0.5366486835450666
Energy: 0.6281518454696128
Energy: 0.5295606604504979
Energy: 0.5856216669725368
Energy: 0.5669081065483944
Energy: 0.5842672976425206
Energy: 0.5295606604550946
Energy: 0.5856216669748352
Energy: 0.5669081065479348
Energy: 0.5881734732393892
Energy: 0.5611768900743033
Energy: 0.6346875266010713
Energy: 0.5412412906732118
Energy: 0.5881734732421472
Energy: 0.5611768900770614
Energy: 0.6346875265992326
Energy: 0.5295490552249688
Energy: 0.5843132226234521
Energy: 0.5845606567356191
Energy: 0.5709473744088804
Energy: 0.5295490552208316
Energy: 0.5843132226239117
Energy: 0.5845606567374577
Energy: 0.6035037374367827
Energy: 0.5609916099025374
Energy: 0.6056554712168231
Energy: 0.586885736665547
Energy: 0.6035037374308065
Energy: 0.5609916098993196
Energy: 0.6056554712149844
Energy: 0.5295732134958753
Energy: 0.5890103396246158
Energy: 0.5861717585755895
Energy: 0.6036113048449342
Energy: 0.5295732134967946
Energy: 0.5890103396218578
Energy: 0.5861717585755895
Energy: 0.5813737981785109
Energy: 0.5609033923701598
Energy: 0.6370910232997957
Energy: 0.5956215689040353
Energy: 0.5813737981794301
Energy: 0.5609033923728971
Energy: 0.6370910232933601

minimum gb energy = 0.5295490552208316 eV
minimum distance =  2.52681354795325 Angstroms
sigma value = 113


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

Energy: 0.6260229075963967
Energy: 0.6389205742806799
Energy: 0.6349674100502055
Energy: 0.6390599663452119
Energy: 0.6260229075887003
Energy: 0.6389205742832456
Energy: 0.634967410063033
Energy: 0.6251135004000546
Energy: 0.606066310233164
Energy: 0.6370195195319039
Energy: 0.6039378284649858
Energy: 0.6251135004077512
Energy: 0.6060663102459914
Energy: 0.6370195195396005
Energy: 0.6303938942090056
Energy: 0.6015402569441886
Energy: 0.6660837804348566
Energy: 0.6074219384665903
Energy: 0.6303938942217865
Energy: 0.6015402569518851
Energy: 0.666083780437422
Energy: 0.5625381204348483
Energy: 0.620031493826524
Energy: 0.6191376706679855
Energy: 0.602934146783098
Energy: 0.5625381204322828
Energy: 0.6200314938085656
Energy: 0.61913767066542
Energy: 0.6310447492016449
Energy: 0.5745890548525782
Energy: 0.6328688689665299
Energy: 0.5765700677656359
Energy: 0.6310447491990794
Energy: 0.5745890548500127
Energy: 0.6328688689639643
Energy: 0.5688863342763884
Energy: 0.580928106843565
Energy: 0.6433767561100387
Energy: 0.5778151440250693
Energy: 0.5688863342943002
Energy: 0.5809281068589581
Energy: 0.6433767560843838
Energy: 0.5945880825403798
Energy: 0.5749788077930867
Energy: 0.655521238199438
Energy: 0.580383144987628
Energy: 0.5945880825686003
Energy: 0.5749788077956522
Energy: 0.6555212381891761
Energy: 0.5627319626118478
Energy: 0.5843294352956735
Energy: 0.6500497620231354
Energy: 0.57171785456295
Energy: 0.5627319625913239
Energy: 0.584329435287977
Energy: 0.6500497620359629
Energy: 0.5945062242841931
Energy: 0.5823547493716409
Energy: 0.664087463244494
Energy: 0.5757047705944444
Energy: 0.594506224294455
Energy: 0.5823547493613791
Energy: 0.6640874632367976
Energy: 0.569675536022959
Energy: 0.5826341478297021
Energy: 0.6639149902349157
Energy: 0.5823690223081364
Energy: 0.5696755360306555
Energy: 0.5826341478220055
Energy: 0.6639149902169571
Energy: 0.6001407100910489
Energy: 0.5814180829156086
Energy: 0.6694402066935949
Energy: 0.5755295731916424
Energy: 0.6001407101090074
Energy: 0.5814180829156086
Energy: 0.669440206703857
Energy: 0.569367849905672
Energy: 0.5727637385644774
Energy: 0.690015721968638
Energy: 0.5867069502761761
Energy: 0.569367849910803
Energy: 0.5727637385567808
Energy: 0.6900157219712036
Energy: 0.6142366911346784
Energy: 0.5897894148724416
Energy: 0.6564936321616066
Energy: 0.5739822434185795
Energy: 0.6142366911449404
Energy: 0.5897894148673107
Energy: 0.6718663462725994
Energy: 0.6163103642289308
Energy: 0.6069303071058474
Energy: 0.6922991500122956
Energy: 0.6120343991168039
Energy: 0.6163103642212343
Energy: 0.606930307103282
Energy: 0.6922991500328195
Energy: 0.6139184358131651
Energy: 0.5916112259882326
Energy: 0.6977919841652226
Energy: 0.605444995888371
Energy: 0.6139184358003843
Energy: 0.5916112259933637
Energy: 0.6977919841523951
Energy: 0.6167086630813552
Energy: 0.5726126592889255
Energy: 0.6400793514589957
Energy: 0.5870482380521473
Energy: 0.6167086630890517
Energy: 0.5726126592966221
Energy: 0.6400793514512993
Energy: 0.6149861410094791
Energy: 0.5894771621364261
Energy: 0.6858381070021701
Energy: 0.5731750826715981
Energy: 0.6149861410120447
Energy: 0.5894771621415571
Energy: 0.6858381069970391
Energy: 0.569541523535427
Energy: 0.5698951798880256
Energy: 0.6142762313040945
Energy: 0.5890570647821204
Energy: 0.569541523535427
Energy: 0.5698951798880256
Energy: 0.6142762312989634
Energy: 0.6143566037850625
Energy: 0.5966408078580956
Energy: 0.6629415825383929
Energy: 0.5870953568503635
Energy: 0.6143566038004556
Energy: 0.5966408078760542
Energy: 0.6629415825409583
Energy: 0.574373362560023
Energy: 0.5804567735601166
Energy: 0.6474058899405034
Energy: 0.5882975531607081
Energy: 0.5743733625677195
Energy: 0.5804567735395925
Energy: 0.647405889922545
Energy: 0.565950008296204
Energy: 0.5746329213739247
Energy: 0.6461145733511708
Energy: 0.5891207745411897
Energy: 0.565950008291073
Energy: 0.5746329213944487
Energy: 0.6461145733255159
Energy: 0.5750535160540862
Energy: 0.5801158836479645
Energy: 0.6355241180479644
Energy: 0.5773525932404773
Energy: 0.5750535160643014
Energy: 0.580115883640268
Energy: 0.6355241180684883
Energy: 0.5660236400673556
Energy: 0.5713548148556082
Energy: 0.6406256743999376
Energy: 0.6091523459406899
Energy: 0.5660236400596592
Energy: 0.5713548148606926
Energy: 0.6406256743948066
Energy: 0.5851348552180035
Energy: 0.5776890624476889
Energy: 0.6311219636100943
Energy: 0.5772903777967973
Energy: 0.585134855241093
Energy: 0.5776890624399925
Energy: 0.6311219636075288
Energy: 0.5661768829030912
Energy: 0.6013595350028644
Energy: 0.639144735046611
Energy: 0.6387851067397714
Energy: 0.5661768829056566
Energy: 0.6013595349977336
Energy: 0.6391447350491767
Energy: 0.5795155443883646
Energy: 0.606377089217332
Energy: 0.6749993165940821
Energy: 0.5942646431614768
Energy: 0.5795155443883646
Energy: 0.6063770891968546
Energy: 0.6749993165786891
Energy: 0.6086989341453092
Energy: 0.5990187977656483
Energy: 0.6504184986631609
Energy: 0.6406768584478479
Energy: 0.6086989341376593
Energy: 0.5990187977707326
Energy: 0.6504184986734229
Energy: 0.5796912535423995
Energy: 0.645116626199811
Energy: 0.6587766468156089
Energy: 0.6316132016930094
Energy: 0.5796912535449651
Energy: 0.6451166261895491
Energy: 0.658776646800216
Energy: 0.622905108943338
Energy: 0.5970628120759625
Energy: 0.626395337690792
Energy: 0.6400234434151291
Energy: 0.6229051089330759
Energy: 0.5970628120554384
Energy: 0.6263953377061849
Energy: 0.5802763349651583
Energy: 0.6033794082941539
Energy: 0.6670751340185489
Energy: 0.6006321551323381
Energy: 0.5802763349753736
Energy: 0.6033794082839384
Energy: 0.6670751340057214
Energy: 0.5870890811186881
Energy: 0.5970474273024637
Energy: 0.6617234233479626
Energy: 0.635932647805789
Energy: 0.5870890811007294
Energy: 0.5970474273101604
Energy: 0.6617234233556591
Energy: 0.5794767108931499
Energy: 0.581608068508184
Energy: 0.6354361368941589
Energy: 0.5767991306676552
Energy: 0.5794767108726261
Energy: 0.581608068497922
Energy: 0.6354361369069864
Energy: 0.5868468761437982
Energy: 0.5741825760222388
Energy: 0.6506478567545858
Energy: 0.6090684933121684
Energy: 0.5868468761489293
Energy: 0.5741825760145421
Energy: 0.6506478567699788
Energy: 0.5771427783251619
Energy: 0.5817297867905985
Energy: 0.6206836230655493
Energy: 0.5752507436221461
Energy: 0.5771427783251619
Energy: 0.5817297867803364
Energy: 0.6206836230578526
Energy: 0.5650330823915862
Energy: 0.5675371889936663
Energy: 0.6586909393731488
Energy: 0.6055719521524304
Energy: 0.5650330824172413
Energy: 0.5675371890218868
Energy: 0.6586909393654524
Energy: 0.5775131682221988
Energy: 0.5787188355013968
Energy: 0.6191957968552977
Energy: 0.5649885072437407
Energy: 0.5775131682349796
Energy: 0.5787188354808729
Energy: 0.6191957968424702
Energy: 0.5651422172810178
Energy: 0.570187177547577
Energy: 0.634944483380758
Energy: 0.6103250479369269
Energy: 0.5651422172938453
Energy: 0.5701871775450115
Energy: 0.6349444833781925
Energy: 0.5658534303826797
Energy: 0.5781717511465896
Energy: 0.6164504520947562
Energy: 0.5648538319770299
Energy: 0.5658534303929417
Energy: 0.5781717511619825
Energy: 0.6164504521024526
Energy: 0.5650656830346772
Energy: 0.5939973450369057
Energy: 0.6791398093006957
Energy: 0.6099898001895746
Energy: 0.5650656830269808
Energy: 0.5939973450497332
Energy: 0.6791398092981303
Energy: 0.5663778641212532
Energy: 0.6007025031277121
Energy: 0.6422261847386551
Energy: 0.5892834048764872
Energy: 0.5663778641289497
Energy: 0.6007025031225811
Energy: 0.6422261847412206
Energy: 0.624781618705876
Energy: 0.5983558295876785
Energy: 0.6925760610051452
Energy: 0.6099771832829276
Energy: 0.6247816186904831
Energy: 0.5983558295979405
Energy: 0.6925760610025795
Energy: 0.5663091054840712
Energy: 0.6026149405501731
Energy: 0.696447112767612
Energy: 0.6082337680877915
Energy: 0.5663091054994642
Energy: 0.6026149405501731
Energy: 0.6964471127753084
Energy: 0.5977892812322373
Energy: 0.5983972183874361
Energy: 0.6501041146685911
Energy: 0.6122612040115926
Energy: 0.5977892812322373
Energy: 0.5983972183925672
Energy: 0.6501041146839841
Energy: 0.5808825018773233
Energy: 0.5970576281775404
Energy: 0.696061253034762
Energy: 0.5741994319096464
Energy: 0.5808825018747578
Energy: 0.5970576281672784
Energy: 0.6960612530373275
Energy: 0.5705127320946487
Energy: 0.5973454793254255
Energy: 0.6192513061267391
Energy: 0.6098045195251927
Energy: 0.5705127320920833
Energy: 0.5973454793382064
Energy: 0.6192513061241737

minimum gb energy = 0.5625381204322828 eV
minimum distance =  2.52965175550809 Angstroms
sigma value = 365


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

Energy: 0.5461803947048128
Energy: 0.5014930386879035
Energy: 0.6128146527853205
Energy: 0.5014930386861945
Energy: 0.5461803947094402
Energy: 0.5014930386861945
Energy: 0.5735074759654063
Energy: 0.5461803947053911
Energy: 0.5014930386884819
Energy: 0.6062487890828173
Energy: 0.501493038686773
Energy: 0.5461803947030776
Energy: 0.5014930386896388
Energy: 0.5735074759515241
Energy: 0.5461803947042344
Energy: 0.5014930386873514
Energy: 0.5944294488305579
Energy: 0.5014930386902172
Energy: 0.5461803947024991
Energy: 0.501493038686773
Energy: 0.5735074759613573
Energy: 0.5461803947059696
Energy: 0.5014930386879035
Energy: 0.596095523521739
Energy: 0.5014930386850377
Energy: 0.5461803947094402
Energy: 0.5014930386861945
Energy: 0.5735074759659847
Energy: 0.5461803947042344
Energy: 0.501493038686773
Energy: 0.6062487890845526
Energy: 0.501493038686773
Energy: 0.5461803947019207
Energy: 0.5014930386890604
Energy: 0.5735074759567299
Energy: 0.5461803947048128
Energy: 0.5014930386873514
Energy: 0.5698570330880449
Energy: 0.5014930386902172
Energy: 0.5461803947030776
Energy: 0.5014930386873514
Energy: 0.57350747596772
Energy: 0.5461803947048128
Energy: 0.5014930386879035
Energy: 0.5866627251112219
Energy: 0.5014930386850377
Energy: 0.5461803947088618
Energy: 0.5014930386856161
Energy: 0.573507475981602
Energy: 0.5461803947048128
Energy: 0.5014930386856161
Energy: 0.6361399706927008
Energy: 0.5014930386879035
Energy: 0.546180394703656
Energy: 0.5014930386907956
Energy: 0.5735074759775531
Energy: 0.546180394703656
Energy: 0.5014930386873514
Energy: 0.589561640391388
Energy: 0.5014930386907956
Energy: 0.5461803947019207
Energy: 0.5014930386873514
Energy: 0.5735074759607789
Energy: 0.546180394706548
Energy: 0.5014930386884819
Energy: 0.5895600840622964
Energy: 0.5014930386850377
Energy: 0.5461803947094402
Energy: 0.5014930386856161
Energy: 0.573507475952681
Energy: 0.546180394703656
Energy: 0.5014930386861945
Energy: 0.5735074759503672
Energy: 0.5014930386873514
Energy: 0.5461803947019207
Energy: 0.5014930386902172
Energy: 0.5735074759480535
Energy: 0.5461803947048128
Energy: 0.5014930386879035
Energy: 0.5735074759497888
Energy: 0.5014930386902172
Energy: 0.5461803947024991
Energy: 0.5014930386879035
Energy: 0.5735074759440046
Energy: 0.5461803947048128
Energy: 0.5014930386873514
Energy: 0.5735074759636709
Energy: 0.5014930386856161
Energy: 0.5461803947088618
Energy: 0.5014930386856161
Energy: 0.5735074759654063
Energy: 0.5461803947053911
Energy: 0.501493038686773
Energy: 0.5735074759393772
Energy: 0.501493038686773
Energy: 0.5461803947030776
Energy: 0.5014930386902172
Energy: 0.5735074759468967
Energy: 0.546180394703656
Energy: 0.5014930386873514
Energy: 0.573507475955573
Energy: 0.5014930386890604
Energy: 0.5461803947019207
Energy: 0.501493038686773
Energy: 0.5735074759440046
Energy: 0.5461803947059696
Energy: 0.5014930386873514
Energy: 0.5735074759561515
Energy: 0.5014930386838807
Energy: 0.5461803947100186
Energy: 0.5014930386850377
Energy: 0.5735074759654063
Energy: 0.5461803947042344
Energy: 0.5014930386873514
Energy: 0.5735074759457398
Energy: 0.5014930386861945
Energy: 0.5461803947019207
Energy: 0.5014930386902172
Energy: 0.5735074759463182
Energy: 0.5461803947048128
Energy: 0.5014930386902172
Energy: 0.5735074759538378
Energy: 0.5014930386884819
Energy: 0.5461803947030776
Energy: 0.501493038686773
Energy: 0.5735074759457398
Energy: 0.5461803947048128
Energy: 0.5014930386890604
Energy: 0.5735074759573082
Energy: 0.5014930386838807
Energy: 0.5461803947088618
Energy: 0.5014930386873514
Energy: 0.5735074759474751
Energy: 0.5461803947048128
Energy: 0.501493038686773
Energy: 0.5735074759602005
Energy: 0.5014930386873514
Energy: 0.5461803947030776
Energy: 0.5014930386913741
Energy: 0.5735074759416909

minimum gb energy = 0.5014930386838807 eV
minimum distance =  2.67073071727407 Angstroms
sigma value = 23