Model name: model_name=EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044527357816695
cohesive_energy=3.312098846316254
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.011570423739581802
Energy: 0.1675261584825134
Energy: 0.1675261584813586
Energy: 0.011570423738427012
Energy: 0.1675261584813586
Energy: 0.1675261584813586
Energy: 0.011570423738427012
Energy: 0.1675261584813586
Energy: 0.16752615848020383
Energy: 0.011570423738427012
Energy: 0.16647432786333202
Energy: 0.011956027932533217
Energy: 0.16702867535448612
Energy: 0.1664743278644868
Energy: 0.011956027931378429
Energy: 0.16702867535564087
Energy: 0.16647432786333202
Energy: 0.011956027932533217
Energy: 0.16702867535679566
Energy: 0.16647432786333202
Energy: 0.8347581492847697
Energy: 0.012296147254932915
Energy: 0.012296147253778127
Energy: 0.7273211571609092
Energy: 0.012296147254932915
Energy: 0.012296147254932915
Energy: 0.7304727248421421
Energy: 0.06260044097246178
Energy: 0.012296147254932915
Energy: 0.8051990788598204
Energy: 0.16647432785989388
Energy: 0.16702867535564087
Energy: 0.011956027931378429
Energy: 0.1664743278621772
Energy: 0.16702867535448612
Energy: 0.011956027931378429
Energy: 0.16647432786102245
Energy: 0.16702867535679566
Energy: 0.011956027931378429
Energy: 0.1664743278621772
Energy: 0.011570423739581802
Energy: 0.1675261584813586
Energy: 0.1675261584813586
Energy: 0.011570423738427012
Energy: 0.16752615848020383
Energy: 0.1675261584813586
Energy: 0.011570423738427012
Energy: 0.1675261584813586
Energy: 0.1675261584813586
Energy: 0.011570423738427012
Energy: 0.1664743278621772
Energy: 0.011956027931378429
Energy: 0.16702867535335753
Energy: 0.1664743278644868
Energy: 0.011956027931378429
Energy: 0.16702867535564087
Energy: 0.1664743278621772
Energy: 0.011956027931378429
Energy: 0.16702867535448612
Energy: 0.1664743278644868
Energy: 0.6956816132741853
Energy: 0.012296147254932915
Energy: 0.062600440971307
Energy: 0.17524694786974113
Energy: 0.012296147253778127
Energy: 0.012296147254932915
Energy: 0.8570499589756332
Energy: 0.012296147254932915
Energy: 0.012296147254932915
Energy: 0.5750251805348334

minimum gb energy = 0.011570423738427012 eV
minimum distance =  2.64196386932017 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.5437886538848672
Energy: 0.42145155628461106
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Energy: 0.5444985301351125
Energy: 0.5437886538693097
Energy: 0.4457008132142341
Energy: 0.5638067006225729
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Energy: 0.5442876816001014
Energy: 0.5638067006183299
Energy: 0.45610022979941955
Energy: 0.5442876815978386
Energy: 0.5638067006123898
Energy: 0.45610022980507675
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Energy: 0.5638067006177643
Energy: 0.5252247046444386
Energy: 0.5315863722687035
Energy: 0.5755547582407696
Energy: 0.5212678454159538
Energy: 0.5315863722695522
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Energy: 0.42686663954910453
Energy: 0.5503802829352689
Energy: 0.5708585155072072
Energy: 0.426866639545993
Energy: 0.5503802829411832

minimum gb energy = 0.41839934621510577 eV
minimum distance =  2.53695621097306 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.42588941096704
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minimum gb energy = 0.42119492008619475 eV
minimum distance =  2.53351547613605 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.4648330098028394
Energy: 0.44704731307366874
Energy: 0.5186546028426066
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Energy: 0.494385530504567
Energy: 0.4470473130738103
Energy: 0.5186546028482122
Energy: 0.49438553050190576
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Energy: 0.4733887066343013
Energy: 0.4656804018882237
Energy: 0.461636535639594
Energy: 0.4733887066384913
Energy: 0.4658417136915634
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Energy: 0.47338870663755706
Energy: 0.4656804018919607
Energy: 0.46163653563834833
Energy: 0.4733887066361699
Energy: 0.4947473371944287
Energy: 0.4933073573478383
Energy: 0.5225761444839665
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Energy: 0.4933043055423645
Energy: 0.5225761444920634
Energy: 0.4947473371910031
Energy: 0.49330735734863096
Energy: 0.5225761444911291
Energy: 0.4947473371905501
Energy: 0.4897451596804178
Energy: 0.4760601183891839
Energy: 0.4784975554251189
Energy: 0.48974515968089904
Energy: 0.47606011839042955
Energy: 0.4784975554235618
Energy: 0.4897451596825978
Energy: 0.4760601183859281
Energy: 0.4784975554279218
Energy: 0.4897451596830791
Energy: 0.4547175229588007
Energy: 0.5201014322430481
Energy: 0.4810216716785835
Energy: 0.4547175229564509
Energy: 0.5201000428677198
Energy: 0.4810216716754693
Energy: 0.45471752296392504
Energy: 0.5201014322488235
Energy: 0.4810216716746766
Energy: 0.4547175229616035
Energy: 0.5118765776567491
Energy: 0.4971421468138962
Energy: 0.5146791483515969
Energy: 0.5118765776521061
Energy: 0.49721077170275557
Energy: 0.514679148353154
Energy: 0.511876577652729
Energy: 0.49714214681248065
Energy: 0.5146791483584482
Energy: 0.5118765776466421
Energy: 0.5018191843249988
Energy: 0.452334196839845
Energy: 0.5113996824925021
Energy: 0.5018191843254519
Energy: 0.45233131293897305
Energy: 0.5113996824853394
Energy: 0.5018191843229605
Energy: 0.4523341968371837
Energy: 0.5113996824928135
Energy: 0.5018191843240646

minimum gb energy = 0.4470473130677517 eV
minimum distance =  2.51662333413756 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.43584116883841645
Energy: 0.48814020714818934
Energy: 0.4874991429096706
Energy: 0.4358411688378819
Energy: 0.48814020714230905
Energy: 0.4874991429123435
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Energy: 0.4881402071476547
Energy: 0.4874991429118089
Energy: 0.4358411688378819
Energy: 0.48909783142472285
Energy: 0.49060985541599933
Energy: 0.5049076794685218
Energy: 0.489097831430603
Energy: 0.4906098554143956
Energy: 0.5049076794690562
Energy: 0.489097831425792
Energy: 0.49060985541653385
Energy: 0.5049076794674769
Energy: 0.489097831430603
Energy: 0.4380618128351004
Energy: 0.5049188858976817
Energy: 0.4302882391054971
Energy: 0.43806181283830775
Energy: 0.5049188859024685
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Energy: 0.44055382879808425
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Energy: 0.45286492535437256
Energy: 0.4604467557298926
Energy: 0.4823534062715995
Energy: 0.4973039808441106
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Energy: 0.46044675572935795
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Energy: 0.49730398084678346
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Energy: 0.44770122434921694
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Energy: 0.4504909052391956
Energy: 0.44770122958827546
Energy: 0.4161314499861581
Energy: 0.4504909052579054
Energy: 0.44770122726503997
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Energy: 0.4504909054032336
Energy: 0.481886454231212
Energy: 0.4405474927573261
Energy: 0.5383258441875087
Energy: 0.48188645423548854
Energy: 0.44054749275892974
Energy: 0.5383258441875087
Energy: 0.4818864542306774
Energy: 0.44054749275679145
Energy: 0.5383258441880432
Energy: 0.48188645423548854
Energy: 0.4383649144591296
Energy: 0.43039315900781566
Energy: 0.5016754495461749
Energy: 0.4383649144569914
Energy: 0.4303931590094194
Energy: 0.5016750918177679
Energy: 0.438364914458595
Energy: 0.43039315900460834
Energy: 0.5016751209625607
Energy: 0.4383649144569914
Energy: 0.48927109164365584
Energy: 0.5050696166518847
Energy: 0.4904490473596907
Energy: 0.48927109164739774
Energy: 0.5050696166481426
Energy: 0.49044904736236355
Energy: 0.4892710916425867
Energy: 0.5050696166518847
Energy: 0.4904490473596907
Energy: 0.48927109164793237
Energy: 0.4358411688410893
Energy: 0.488140207146051
Energy: 0.4874991429155508
Energy: 0.4358411688400201
Energy: 0.4881402071417746
Energy: 0.48749914291768903
Energy: 0.4358411688410893
Energy: 0.488140207146051
Energy: 0.4874991429160854
Energy: 0.4358411688394856

minimum gb energy = 0.4161314499861581 eV
minimum distance =  2.65088541797058 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.4766741139328557
Energy: 0.4124140905318697
Energy: 0.3990051349644102
Energy: 0.46210400308635285
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Energy: 0.3990051349662957
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Energy: 0.4097472163819425
Energy: 0.405787881317722
Energy: 0.4094839501902314
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Energy: 0.45819076736466935
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Energy: 0.4301016631021539
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Energy: 0.4472701809422901
Energy: 0.4539735253659726
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Energy: 0.4539735253694796
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Energy: 0.4472701809468531
Energy: 0.45397352536058
Energy: 0.46545105934906933
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Energy: 0.41157429460379935
Energy: 0.39900044932755396
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Energy: 0.3990004493242355
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Energy: 0.3990004493327203
Energy: 0.46284054468124985
Energy: 0.41157429461315154
Energy: 0.4472301700258851
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Energy: 0.41914098984659226
Energy: 0.4472301700252818
Energy: 0.44318613796872147
Energy: 0.4191409898509289
Energy: 0.44723017001449666
Energy: 0.4414290739018922
Energy: 0.41914098985775444
Energy: 0.4472301700252818
Energy: 0.4074919468603659
Energy: 0.41042665047695714
Energy: 0.4099328753818341
Energy: 0.4074919468595363
Energy: 0.41042149146649837
Energy: 0.41007326519332166
Energy: 0.40749194685746215
Energy: 0.410426650478805
Energy: 0.4099328753781008
Energy: 0.4074919468537288
Energy: 0.43619356416339883
Energy: 0.413186329399819
Energy: 0.39779988057580834
Energy: 0.4361935641596655
Energy: 0.41318556264022627
Energy: 0.39779988058636717
Energy: 0.43619356416275773
Energy: 0.41318632941222566
Energy: 0.3977998805745639
Energy: 0.43619356415925065
Energy: 0.41513981802915895
Energy: 0.40974264219807005
Energy: 0.4164680570081926
Energy: 0.4151398180331185
Energy: 0.4097397927548638
Energy: 0.41646805701294404
Energy: 0.41513981802689637
Energy: 0.4097426421965994
Energy: 0.41646805701667733
Energy: 0.41513981802565186
Energy: 0.3989066771857048
Energy: 0.3984333231781732
Energy: 0.40590440118216436
Energy: 0.3989066771855163
Energy: 0.3984333231813032
Energy: 0.40590440117285
Energy: 0.39890667718842
Energy: 0.39843332318213276
Energy: 0.4059044011730385
Energy: 0.3989066771873641

minimum gb energy = 0.389212545263298 eV
minimum distance =  2.66846036989562 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.21730879976923922
Energy: 0.2172174764037246
Energy: 0.1826646837628209
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Energy: 0.16579058089471244
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Energy: 0.14937794849723077
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Energy: 0.19514499328389495
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Energy: 0.2605936738370534
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Energy: 0.14954443327424968
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Energy: 0.26059367384394705
Energy: 0.14954443326784844
Energy: 0.2176074183161652
Energy: 0.26059367384050025
Energy: 0.21516407146517255
Energy: 0.20136445265301592
Energy: 0.21844066574788867
Energy: 0.21516407146541877
Energy: 0.20136445265449313
Energy: 0.21844066574518042
Energy: 0.21516407146689595
Energy: 0.20136445265424696
Energy: 0.21844066573927162
Energy: 0.21516407146295674
Energy: 0.14949094182042308
Energy: 0.1507889751353666
Energy: 0.22710556606269006
Energy: 0.14949094181722244
Energy: 0.15078897513118117
Energy: 0.22710556606096666
Energy: 0.14949094181599146
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Energy: 0.22710556605998183
Energy: 0.14949094182066927
Energy: 0.19528788519522122
Energy: 0.23163707513689105
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Energy: 0.2316370751410765
Energy: 0.2281630832915969
Energy: 0.1952878851907896
Energy: 0.23163707514452334
Energy: 0.2281630832869191
Energy: 0.1952878851917744

minimum gb energy = 0.1493779484969846 eV
minimum distance =  2.66720400969907 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.40317279017568447
Energy: 0.404261620995131
Energy: 0.4042235455056751
Energy: 0.37864939142326887
Energy: 0.404261620995131
Energy: 0.4042235455151116
Energy: 0.40317279017027813
Energy: 0.404261620995131
Energy: 0.40422354550837825
Energy: 0.37864939142462045
Energy: 0.3881100869487486
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Energy: 0.4047302682216442
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Energy: 0.4512096390369075
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Energy: 0.3797873445450311
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Energy: 0.37141096006844593
Energy: 0.42490700129336617
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minimum distance =  2.51672887480118 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.5115051066877955

minimum gb energy = 0.42271196385296433 eV
minimum distance =  2.62616313519893 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 0.4813135965273683 eV
minimum distance =  2.53490642355157 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.5421736810303078
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Energy: 0.5421736810288934
Energy: 0.5059192437728798
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Energy: 0.4755649647271974
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Energy: 0.4755649647278035
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Energy: 0.5380805752416553
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Energy: 0.5055302911668366
Energy: 0.5548620358665854
Energy: 0.47474624453437536
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Energy: 0.4747462445380122
Energy: 0.4776714595751328
Energy: 0.5548620358677977
Energy: 0.4747462445319508
Energy: 0.4776714595761246
Energy: 0.554862035865171
Energy: 0.5130381357611256
Energy: 0.6140478599970192
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Energy: 0.5130381357621357
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Energy: 0.614047859996615
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Energy: 0.5130381357619337
Energy: 0.4916553590617704
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Energy: 0.48370803625967823
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Energy: 0.4916553590617704
Energy: 0.4909691542536825
Energy: 0.4837080362604864
Energy: 0.49165535906116425
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Energy: 0.5091865352811084
Energy: 0.4762569729905546
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Energy: 0.5091865352776737
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Energy: 0.5511662819645105
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Energy: 0.49090608842946526
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Energy: 0.490906088428657
Energy: 0.5511662819651165
Energy: 0.5511942976936622
Energy: 0.4909060884288591
Energy: 0.514264145710681
Energy: 0.47625589975374244
Energy: 0.5090171134809102
Energy: 0.5142641457104791
Energy: 0.4762558997545506
Energy: 0.5090171134823246
Energy: 0.5142641457088626
Energy: 0.47625589975374244
Energy: 0.5090171134833347
Energy: 0.5142641457094688
Energy: 0.49166295862904
Energy: 0.4837219305872293
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Energy: 0.49166295862944415
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Energy: 0.48372193058783547
Energy: 0.4909675590688672
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Energy: 0.6140086484624968
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Energy: 0.5548784999050663
Energy: 0.4776506868529884
Energy: 0.47488529813147984
Energy: 0.5548784999040561
Energy: 0.47765068685440265
Energy: 0.4748852981353187
Energy: 0.5548784999060766
Energy: 0.4776506868529884
Energy: 0.4748852981375412
Energy: 0.5548784999044601
Energy: 0.5051157946053418
Energy: 0.5296195919773935
Energy: 0.5374478312564162
Energy: 0.5051157946089787
Energy: 0.5296195919773935
Energy: 0.5374478312562142
Energy: 0.5051157946089787
Energy: 0.5296195919771916
Energy: 0.5374478312558101
Energy: 0.5051157946099889
Energy: 0.4755498599984565
Energy: 0.5352672234977958
Energy: 0.4832475948028929
Energy: 0.4755498599950218
Energy: 0.5352672234979977
Energy: 0.483247594798852
Energy: 0.4755498599968402
Energy: 0.5352672234975936
Energy: 0.483247594803499
Energy: 0.4755498599966382
Energy: 0.5421736810297016
Energy: 0.5059192437730817
Energy: 0.505921481206741
Energy: 0.5421736810299037
Energy: 0.5059192437732839
Energy: 0.5059214812081553
Energy: 0.5421736810301058
Energy: 0.5059192437726776
Energy: 0.5059214812051246
Energy: 0.5421736810299037
Energy: 0.47556496472699533
Energy: 0.4832543610330323
Energy: 0.5352763963473383
Energy: 0.4755649647271974
Energy: 0.48325436103485075
Energy: 0.5352763963495608
Energy: 0.4755649647271974
Energy: 0.4832543610332344
Energy: 0.5352763963475403
Energy: 0.47556496472739945
Energy: 0.5055302911652203
Energy: 0.5380805752416553
Energy: 0.5295044023360231
Energy: 0.5055302911642099
Energy: 0.5380805752416553
Energy: 0.5295044023366292
Energy: 0.5055302911650181
Energy: 0.5380805752416553
Energy: 0.5295044023360231
Energy: 0.5055302911650181
Energy: 0.554862035865171
Energy: 0.47474624453538555
Energy: 0.4776714595751328
Energy: 0.5548620358663834
Energy: 0.4747462445331631
Energy: 0.4776714595761246
Energy: 0.5548620358647671
Energy: 0.4747462445337692
Energy: 0.477671459575739
Energy: 0.5548620358661813
Energy: 0.5130381357623378
Energy: 0.614047859996009
Energy: 0.4749367853739531
Energy: 0.5130381357607214
Energy: 0.6140478599958069
Energy: 0.47493678537415523
Energy: 0.5130381357617317
Energy: 0.6140478599952008
Energy: 0.47493678537294287
Energy: 0.5130381357607214

minimum gb energy = 0.4747462445319508 eV
minimum distance =  2.59359846327471 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.47320092254505924
Energy: 0.47360241027925665
Energy: 0.4736418517291547
Energy: 0.47320092254615476
Energy: 0.47360241027852623
Energy: 0.47364185172294665
Energy: 0.47320092254651996
Energy: 0.47360241027597005
Energy: 0.47364185172805917
Energy: 0.47320092254651996
Energy: 0.4738534148268369
Energy: 0.4734825709160024
Energy: 0.4740052607526418
Energy: 0.47385341482902804
Energy: 0.4734825709167327
Energy: 0.4740052607566587
Energy: 0.4738534148268369
Energy: 0.4734825709160024
Energy: 0.4740052607541025
Energy: 0.47385341482902804
Energy: 0.47325129522205855
Energy: 0.473649670046906
Energy: 0.5273623458686649
Energy: 0.47325129522205855
Energy: 0.47364967005092296
Energy: 0.5273623458723166
Energy: 0.47325129522278897
Energy: 0.4736496700487319
Energy: 0.5273623458737773
Energy: 0.4732512952162158
Energy: 0.5274634296150674
Energy: 0.4736648612708125
Energy: 0.4733080996808869
Energy: 0.5274634296125112
Energy: 0.473664861271908
Energy: 0.4733080996776004
Energy: 0.5274634296172586
Energy: 0.47366486127008206
Energy: 0.4733080996794262
Energy: 0.5274634296128764
Energy: 0.4741222240561047
Energy: 0.47343975984496817
Energy: 0.47385928885160133
Energy: 0.4741222240593912
Energy: 0.4734397598424284
Energy: 0.4738592888490451
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Energy: 0.4734397598453334
Energy: 0.4738592888523316
Energy: 0.4741222240612171
Energy: 0.47360241027889144
Energy: 0.47364185172331186
Energy: 0.4732009225454244
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Energy: 0.47364185172732876
Energy: 0.47320092254615476
Energy: 0.47360241027962185
Energy: 0.47364185172258155
Energy: 0.4732009225468851
Energy: 0.47360241027889144
Energy: 0.4734825709167327
Energy: 0.47400526075191146
Energy: 0.47385341482866283
Energy: 0.4734825709160024
Energy: 0.4740052607522766
Energy: 0.4738534148304887
Energy: 0.4734825709167327
Energy: 0.47400526075337207
Energy: 0.4738534148279324
Energy: 0.4734825709160024
Energy: 0.473649670049097
Energy: 0.5273623458730469
Energy: 0.47325129521877196
Energy: 0.47364967004836667
Energy: 0.52736234586903
Energy: 0.47325129522278897
Energy: 0.47364967005092296
Energy: 0.5273623458730469
Energy: 0.47325129522132825
Energy: 0.47364967004763636
Energy: 0.4736648612726384
Energy: 0.4733080996790611
Energy: 0.5274634296179889
Energy: 0.4736648612715428
Energy: 0.4733080996779655
Energy: 0.5274634296172586
Energy: 0.47366486127409907
Energy: 0.4733080996772352
Energy: 0.5274634296172586
Energy: 0.47366486127044727
Energy: 0.47343975984279363
Energy: 0.47385928884612366
Energy: 0.474122224056835
Energy: 0.4734397598453334
Energy: 0.4738592888501406
Energy: 0.47412222405866095
Energy: 0.47343975984279363
Energy: 0.4738592888505058
Energy: 0.47412222405756543
Energy: 0.4734397598453334
Energy: 0.47364185172732876
Energy: 0.47320092254578955
Energy: 0.4736024102818129
Energy: 0.47364185172440737
Energy: 0.4732009225454244
Energy: 0.4736024102810826
Energy: 0.47364185172805917
Energy: 0.4732009225468851
Energy: 0.4736024102810826
Energy: 0.47364185172185114
Energy: 0.4740052607541025
Energy: 0.47385341482866283
Energy: 0.4734825709174631
Energy: 0.4740052607544677
Energy: 0.4738534148268369
Energy: 0.4734825709160024
Energy: 0.4740052607541025
Energy: 0.4738534148279324
Energy: 0.4734825709170979
Energy: 0.4740052607537373
Energy: 0.5273623458730469
Energy: 0.47325129521877196
Energy: 0.47364967005019254
Energy: 0.5273623458766987
Energy: 0.47325129522242376
Energy: 0.4736496700487319
Energy: 0.5273623458723166
Energy: 0.4732512952162158
Energy: 0.47364967005092296
Energy: 0.5273623458745076
Energy: 0.4733080996772352
Energy: 0.5274634296150674
Energy: 0.4736648612708125
Energy: 0.4733080996794262
Energy: 0.5274634296132417
Energy: 0.47366486127044727
Energy: 0.4733080996794262
Energy: 0.5274634296194496
Energy: 0.47366486127300345
Energy: 0.4733080996805218
Energy: 0.4738592888537923
Energy: 0.4741222240615823
Energy: 0.47343975984279363
Energy: 0.4738592888490451
Energy: 0.47412222405829574
Energy: 0.47343975984496817
Energy: 0.4738592888537923
Energy: 0.4741222240593912
Energy: 0.47343975984279363
Energy: 0.4738592888497754
Energy: 0.47320092254578955
Energy: 0.4736024102810826
Energy: 0.47364185173134576
Energy: 0.47320092254615476
Energy: 0.4736024102774307
Energy: 0.47364185172112083
Energy: 0.47320092254725027
Energy: 0.47360241027816113
Energy: 0.47364185172769396
Energy: 0.47320092254651996
Energy: 0.4738534148282976
Energy: 0.47348257091563717
Energy: 0.47400526075191146
Energy: 0.4738534148282976
Energy: 0.4734825709167327
Energy: 0.47400526075191146
Energy: 0.4738534148319494
Energy: 0.4734825709163676
Energy: 0.4740052607559284
Energy: 0.4738534148275673
Energy: 0.47325129522278897
Energy: 0.47364967004836667
Energy: 0.5273623458756033
Energy: 0.4732512952176764
Energy: 0.47364967005055775
Energy: 0.5273623458712211
Energy: 0.4732512952180416
Energy: 0.47364967004982733
Energy: 0.5273623458712211
Energy: 0.47325129522169335
Energy: 0.5274634296194496
Energy: 0.473664861271908
Energy: 0.47330809967687
Energy: 0.5274634296176237
Energy: 0.473664861271908
Energy: 0.4733080996772352
Energy: 0.5274634296198147
Energy: 0.47366486126971696
Energy: 0.4733080996772352
Energy: 0.5274634296154327
Energy: 0.4741222240597564
Energy: 0.47343975984496817
Energy: 0.4738592888508709
Energy: 0.4741222240593912
Energy: 0.47343975984279363
Energy: 0.4738592888494102
Energy: 0.4741222240561047
Energy: 0.4734397598453334
Energy: 0.4738592888526968
Energy: 0.47412222406048676
Energy: 0.4736024102821781
Energy: 0.47364185172185114
Energy: 0.47320092254578955
Energy: 0.47360241027816113
Energy: 0.4736418517291547
Energy: 0.47320092254651996
Energy: 0.47360241027670047
Energy: 0.47364185172696366
Energy: 0.4732009225454244
Energy: 0.47360241027523975
Energy: 0.4734825709170979
Energy: 0.4740052607559284
Energy: 0.47385341482939314
Energy: 0.4734825709160024
Energy: 0.47400526075337207
Energy: 0.4738534148315842
Energy: 0.4734825709170979
Energy: 0.4740052607570239
Energy: 0.4738534148297583
Energy: 0.4734825709160024

minimum gb energy = 0.47320092254505924 eV
minimum distance =  2.61034680991296 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.5309108653408239
Energy: 0.5639969595963293
Energy: 0.47858739689248225
Energy: 0.5239271807236782
Energy: 0.5639969596012954
Energy: 0.4785873968941376
Energy: 0.5309108653408239
Energy: 0.5639969595946739
Energy: 0.47858739689910373
Energy: 0.5239271807236782
Energy: 0.5011210640590816
Energy: 0.5132284637028278
Energy: 0.5219726096634988
Energy: 0.5011210640673585
Energy: 0.5132284636978617
Energy: 0.5219726096668094
Energy: 0.5011210640524904
Energy: 0.5132284637144151
Energy: 0.5219726096535667
Energy: 0.5011210640524904
Energy: 0.5030477332217992
Energy: 0.5239724224140898
Energy: 0.5397224766165554
Energy: 0.5030477332284204
Energy: 0.5239724224041578
Energy: 0.5397224766182107
Energy: 0.5030477332184885
Energy: 0.5239724224041578
Energy: 0.5397224766165554
Energy: 0.5030477332151778
Energy: 0.4783220914782206
Energy: 0.5237895761160597
Energy: 0.47584745658239347
Energy: 0.47832209147656524
Energy: 0.5237895761011918
Energy: 0.4758474565807381
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Energy: 0.5237895761110937
Energy: 0.4758474565939808
Energy: 0.4783220914848419
Energy: 0.5273791625550028
Energy: 0.5106791213138657
Energy: 0.500662933888768
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Energy: 0.5273791625434154
Energy: 0.5106791213155211
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Energy: 0.5273791625550028
Energy: 0.5022143020146402
Energy: 0.523736408485126
Energy: 0.4742250625859801
Energy: 0.502214302022917
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Energy: 0.5022143020162957
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Energy: 0.5373655488798522
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Energy: 0.5373655488831628
Energy: 0.5019763694339682
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Energy: 0.49119144502411327
Energy: 0.5637512843070346
Energy: 0.5214005451289441
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Energy: 0.5637512842954774
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Energy: 0.49119144503235984
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Energy: 0.4911914450158366
Energy: 0.567279091183147
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Energy: 0.5166558702972521
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Energy: 0.567279091173215
Energy: 0.5102512710777495
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Energy: 0.4901515826956285
Energy: 0.5638384655429655
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Energy: 0.5638384655479014
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Energy: 0.4901525283307879
Energy: 0.5216985393844379
Energy: 0.4693078441754592
Energy: 0.5189838136644824
Energy: 0.5216985393860932
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Energy: 0.5189838136677932
Energy: 0.5216985393877485
Energy: 0.4693078441704931
Energy: 0.5189838136677932
Energy: 0.52169853939437
Energy: 0.5461205967278028
Energy: 0.47441818301971556
Energy: 0.5697951244353943
Energy: 0.5461205967178707
Energy: 0.4744193573375273
Energy: 0.5697951244337389
Energy: 0.5461205967195262
Energy: 0.4744181830313029
Energy: 0.5697951244320836
Energy: 0.5461205967162155
Energy: 0.5358060095199147
Energy: 0.4754685713384544
Energy: 0.5182936622304758
Energy: 0.5358060095166041
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Energy: 0.4754685713384544
Energy: 0.5182936622255098
Energy: 0.5358060095215701
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Energy: 0.473662338269233
Energy: 0.5339974053386561
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Energy: 0.4736623382675777
Energy: 0.5339974053353455
Energy: 0.478179764497546
Energy: 0.47366233826261167
Energy: 0.5339974053436221
Energy: 0.4781797644958907
Energy: 0.5266535572933442
Energy: 0.5625031278131791
Energy: 0.4791663036293354
Energy: 0.526653557301621
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Energy: 0.4791662661443073
Energy: 0.5266535573065868
Energy: 0.5625031278016218
Energy: 0.47916630361278195
Energy: 0.5266535572999655
Energy: 0.4818992398163428
Energy: 0.5623818472612816
Energy: 0.5286162039025185
Energy: 0.48189923982627486
Energy: 0.5623818472711836
Energy: 0.5286162039091399
Energy: 0.48189923982793015
Energy: 0.5623818472629369
Energy: 0.5286162039157613
Energy: 0.48189923981799815
Energy: 0.5267005463010473
Energy: 0.525032672159992
Energy: 0.5212241606558501
Energy: 0.526700546294426
Energy: 0.525032672155026
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Energy: 0.5267005462878046
Energy: 0.5250326721682689
Energy: 0.5212241606624715
Energy: 0.5267005462960814
Energy: 0.5350204907999186
Energy: 0.5123101024122936
Energy: 0.5223906153087691
Energy: 0.5350204908031992
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Energy: 0.5223906153071137
Energy: 0.535020490796608
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Energy: 0.4836740753360285
Energy: 0.5565971291774382
Energy: 0.5089206807097839
Energy: 0.4836740753260964
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Energy: 0.4836740753277518
Energy: 0.5565971291675061
Energy: 0.5089206807064733
Energy: 0.48367407532281587
Energy: 0.5280101554878025
Energy: 0.480408600162818
Energy: 0.4962890214254989
Energy: 0.5280101554911132
Energy: 0.48040860015619663
Energy: 0.4962890214254989
Energy: 0.528010155506011
Energy: 0.48040860016116266
Energy: 0.4962890214321203
Energy: 0.5280101555010451
Energy: 0.5124940030871333
Energy: 0.5015846919453945
Energy: 0.5442288033469159
Energy: 0.5124940030772013
Energy: 0.5015846919503605
Energy: 0.5442288033469159
Energy: 0.5124940030788567
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Energy: 0.5442288033551624
Energy: 0.5124940030821673
Energy: 0.5207218432996965
Energy: 0.5909623837504211
Energy: 0.4736814664432216
Energy: 0.5207218433046625
Energy: 0.5909623837454551
Energy: 0.47368146646143033
Energy: 0.5207218433129394
Energy: 0.5909623837471104
Energy: 0.47368146644818765
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Energy: 0.5447046292413964
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Energy: 0.46598747676528446
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Energy: 0.513052998943391
Energy: 0.47337470913389795
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Energy: 0.5352291586016957
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Energy: 0.4704268259287367
Energy: 0.5535544071954712
Energy: 0.5412204486251343
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Energy: 0.5535544071871945
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Energy: 0.5412204486234791
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Energy: 0.5710255740316749
Energy: 0.48003896353193287
Energy: 0.5766099049351888
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Energy: 0.5710255740349856
Energy: 0.48003896354020964
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Energy: 0.5776519925931445
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Energy: 0.5388550848950466
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Energy: 0.5148645315185864
Energy: 0.5372127988997206
Energy: 0.538855084896702
Energy: 0.514864531516931
Energy: 0.537212798901376
Energy: 0.5413782615833409
Energy: 0.5111759338601162
Energy: 0.4776999601497102
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Energy: 0.5111759338534947
Energy: 0.47769996016788885
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Energy: 0.5111759338634269
Energy: 0.47769996016457816
Energy: 0.5413782615601662
Energy: 0.4903551459766489
Energy: 0.5318629805938949
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Energy: 0.4903551459749936
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Energy: 0.4903551459667169
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Energy: 0.5126713112025422
Energy: 0.5102796129940237
Energy: 0.5239241065144897
Energy: 0.5126212534395362
Energy: 0.5099051630596231
Energy: 0.523924106516145
Energy: 0.5126713112108189
Energy: 0.5102796129890577
Energy: 0.5239241065227362
Energy: 0.5677789553684198
Energy: 0.4665789561029548
Energy: 0.4852526618034408
Energy: 0.5677789553700752
Energy: 0.46657895610461014
Energy: 0.48525266179350873
Energy: 0.5677789553667646
Energy: 0.46657895610461014
Energy: 0.4852526617968194
Energy: 0.5677789553667646
Energy: 0.5250069594537256
Energy: 0.5482186809758552
Energy: 0.5240384527939447
Energy: 0.5250069594553808
Energy: 0.5482186809626426
Energy: 0.5240384527972552
Energy: 0.5250069594504148
Energy: 0.5482186809709192
Energy: 0.5240384527939447
Energy: 0.5250069594537256
Energy: 0.47823996059480445
Energy: 0.47339022994000246
Energy: 0.5704363701473666
Energy: 0.4782399606014258
Energy: 0.4733904453576828
Energy: 0.5704363701539878
Energy: 0.47823996060473645
Energy: 0.4733902299383471
Energy: 0.5704363701523325
Energy: 0.4782399606063918
Energy: 0.5202708941125784
Energy: 0.49147422472385716
Energy: 0.5240675659125908
Energy: 0.5202708941043016
Energy: 0.4914742247122999
Energy: 0.5240675659159016
Energy: 0.5202708941043016
Energy: 0.49147422471723584
Energy: 0.5240675659175569
Energy: 0.5202708941043016
Energy: 0.49815965064669315
Energy: 0.5076167286834564
Energy: 0.48019798277318104
Energy: 0.4981596506533145
Energy: 0.5076167286933884
Energy: 0.48019778214765707
Energy: 0.4981596506433824
Energy: 0.5076167287016651
Energy: 0.4801979827764917
Energy: 0.49815965063841644
Energy: 0.4777728471531038
Energy: 0.4941942228716248
Energy: 0.5427254452685336
Energy: 0.47777284714648244
Energy: 0.4941942228633481
Energy: 0.5427254452619122
Energy: 0.47777284714648244
Energy: 0.49419422285838205
Energy: 0.5427254452552909
Energy: 0.4777728471481378
Energy: 0.5234714876158547
Energy: 0.5373569983312417
Energy: 0.5428349027458526
Energy: 0.5234714876158547
Energy: 0.5373569983196542
Energy: 0.5428349027392313
Energy: 0.523471487607578
Energy: 0.537356998317999
Energy: 0.5428349027475079
Energy: 0.5234714876175101

minimum gb energy = 0.46598747676528446 eV
minimum distance =  2.53433193103082 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.4821743406172132
Energy: 0.48462958599882544
Energy: 0.48467106845377106
Energy: 0.4821743406172132
Energy: 0.48462958599761935
Energy: 0.4846710684501527
Energy: 0.4821743406166102
Energy: 0.48462958599882544
Energy: 0.4846710684549772
Energy: 0.4821743406166102
Energy: 0.511947181264126
Energy: 0.47750861682208584
Energy: 0.5241923934211554
Energy: 0.5119471812665382
Energy: 0.4775086168208797
Energy: 0.5241923934187431
Energy: 0.5119471812659352
Energy: 0.47750861682208584
Energy: 0.5241923934217584
Energy: 0.5119471812671412
Energy: 0.5438906910895832
Energy: 0.473051327207706
Energy: 0.5379780607357583
Energy: 0.5438906910889802
Energy: 0.47305132720951515
Energy: 0.6133552518804377
Energy: 0.543890691087774
Energy: 0.4730513272089121
Energy: 0.6055624451359852
Energy: 0.5447211795264906
Energy: 0.5140097328855255
Energy: 0.5536906503063895
Energy: 0.5187827741140032
Energy: 0.5140097328837163
Energy: 0.5536906503051833
Energy: 0.5187827741134001
Energy: 0.5140097328861286
Energy: 0.5536906503057865
Energy: 0.5187827741134001
Energy: 0.5140097328837163
Energy: 0.5362986070460352
Energy: 0.48146047025671734
Energy: 0.5657839917388495
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Energy: 0.5657839917370403
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Energy: 0.4814604702585265
Energy: 0.5657839917394525
Energy: 0.5362986070387983
Energy: 0.5070162767694776
Energy: 0.5151911749794289
Energy: 0.47767714044944865
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Energy: 0.515191174980032
Energy: 0.47767714044944865
Energy: 0.5070162767724928
Energy: 0.5378503577879838
Energy: 0.4880835776090966
Energy: 0.47325148002521306
Energy: 0.537850357789793
Energy: 0.48808357761512733
Energy: 0.4732514800240069
Energy: 0.5378503577867776
Energy: 0.4880835776096997
Energy: 0.4732514800246099
Energy: 0.5378503577891899
Energy: 0.5105681823406901
Energy: 0.5351548213809576
Energy: 0.5086987202296357
Energy: 0.5105681823424993
Energy: 0.5351548213785454
Energy: 0.5086987202356663
Energy: 0.5105681823400872
Energy: 0.5351548213791485
Energy: 0.5086987202296357
Energy: 0.5105681823424993
Energy: 0.581191260984924
Energy: 0.5256098289986104
Energy: 0.4818549952085063
Energy: 0.581191260984924
Energy: 0.525609828995595
Energy: 0.48185499520910924
Energy: 0.5811912609873364
Energy: 0.5256098289980072
Energy: 0.4818549952085063
Energy: 0.5811912609873364
Energy: 0.5119499205467141
Energy: 0.5276981219429061
Energy: 0.5316259572710786
Energy: 0.5119499205497293
Energy: 0.5276981219465244
Energy: 0.5316259572704756
Energy: 0.5119499205455079
Energy: 0.5276981219435092
Energy: 0.5316259572716817
Energy: 0.5119499205503324
Energy: 0.5096034200239608
Energy: 0.47661520596229134
Energy: 0.47271562116699567
Energy: 0.5096034200245638
Energy: 0.4766152059641006
Energy: 0.4727156211700111
Energy: 0.5096034200233577
Energy: 0.5018771327702685
Energy: 0.4727156211675988
Energy: 0.5096034200239608
Energy: 0.5453161276372517
Energy: 0.47808369100387293
Energy: 0.5226605434856281
Energy: 0.5453161276378548
Energy: 0.47808369100688825
Energy: 0.5226605434868342
Energy: 0.5453161276372517
Energy: 0.47808369100447595
Energy: 0.522660543485025
Energy: 0.5453161276378548
Energy: 0.482040467188583
Energy: 0.5217584687498932
Energy: 0.4819527578558049
Energy: 0.4820404671915983
Energy: 0.5217584687396412
Energy: 0.48195275785520186
Energy: 0.48204046718918614
Energy: 0.5217584687492901
Energy: 0.4819527578558049
Energy: 0.4820404671915983
Energy: 0.5688109732935802
Energy: 0.4905976796995171
Energy: 0.5078913062903464
Energy: 0.568810973291168
Energy: 0.4905976796934864
Energy: 0.5078913062903464
Energy: 0.5688109732941833
Energy: 0.4905976797007232
Energy: 0.5078913062939647
Energy: 0.568810973290565

minimum gb energy = 0.47271562116699567 eV
minimum distance =  2.5416745222746 Angstroms
sigma value = 33