Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855312585830688
cohesive_energy=4.013297914458148
mass=55.845
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: 0.015228928409959533
Energy: 0.4985060371296946
Energy: 0.015228928409571893
Energy: 0.4985060371296946
Energy: 0.015228928410369975
Energy: 0.4985060371296946
Energy: 0.015228928409571893
Energy: 0.01615865633742869
Energy: 0.5890541882015385
Energy: 0.01615865633742869
Energy: 0.5890541882015385
Energy: 0.016158656337041048
Energy: 0.5890541882035452
Energy: 0.01615865633742869
Energy: 0.4178705242024269
Energy: 0.5311519296989957
Energy: 0.4178705242024269
Energy: 0.5311519289641006
Energy: 1.0942118731723758
Energy: 0.5311519524802668
Energy: 1.4383284491228707
Energy: 0.01615865633583253
Energy: 0.5890541882019262
Energy: 0.01615865633663061
Energy: 0.5890541881999196
Energy: 0.016158656335422086
Energy: 0.5890541882011281
Energy: 0.01615865633624297
Energy: 0.015228928409959533
Energy: 0.49850603712848607
Energy: 0.015228928409571893
Energy: 0.49850603712887376
Energy: 0.015228928410369975
Energy: 0.49850603712887376
Energy: 0.015228928409571893
Energy: 0.016158656335422086
Energy: 0.5890541882007176
Energy: 0.01615865633624297
Energy: 0.5890541882007176
Energy: 0.01615865633583253
Energy: 0.5890541882011281
Energy: 0.01615865633663061

minimum gb energy = 0.015228928409571893 eV
minimum distance =  2.46832621229177 Angstroms
sigma value = 5


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

Energy: 1.278032944996424
Energy: 1.6806636868725346
Energy: 1.2780329449983852
Energy: 1.680663686873515
Energy: 1.278032944996424
Energy: 1.6806636868725346
Energy: 1.2780329449983852
Energy: 1.252882461375913
Energy: 1.216026126456411
Energy: 1.252882461379345
Energy: 1.2160261264603331
Energy: 1.2528824613754226
Energy: 1.216026126456901
Energy: 1.2528824613788545
Energy: 1.177604178416034
Energy: 1.2065468841633467
Energy: 1.17760417840966
Energy: 1.2065468841613856
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Energy: 1.2065468841633467
Energy: 1.1776041784101505
Energy: 1.173657949813366
Energy: 1.2496585736957897
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Energy: 1.2496585736889256
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Energy: 1.2496585736933383
Energy: 1.1736579498104243
Energy: 1.1607508123860064
Energy: 1.2535408770778809
Energy: 1.1607508123840453
Energy: 1.2535408770788614
Energy: 1.1607508123860064
Energy: 1.2535408770769003
Energy: 1.160750812383555
Energy: 1.2783057882476372
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Energy: 1.2783057882461664
Energy: 1.3329313236983187
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Energy: 1.33293132370028
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Energy: 1.2865052117088949
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Energy: 1.286505211709385
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Energy: 1.292976541673568
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Energy: 1.2872767519872617
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Energy: 1.2872767519872617
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Energy: 1.1832920601317436
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Energy: 1.2299068048979538
Energy: 1.1611816198007379
Energy: 1.3139272780695155
Energy: 1.306825437939001
Energy: 1.3139272780778504
Energy: 1.3068254379360595
Energy: 1.3139272780690252
Energy: 1.3068254379394915
Energy: 1.3139272780778504
Energy: 1.1801647404424893
Energy: 1.2399021509211696
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Energy: 1.31503575377473
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Energy: 1.2388900838925938
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Energy: 1.2763637063428195
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Energy: 1.287892345997717
Energy: 1.362773080414916
Energy: 1.287892345997717
Energy: 1.3627730804105034
Energy: 1.287892345997717
Energy: 1.3627730804144258
Energy: 1.287892345997717
Energy: 1.1586196035440928
Energy: 1.2624628893952337
Energy: 1.158619603549486
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Energy: 1.1586196035440928
Energy: 1.262462889395724
Energy: 1.1586196035489957
Energy: 1.307400634606481
Energy: 1.2600017601897535
Energy: 1.3074006345996168
Energy: 1.2600017601853408
Energy: 1.307400634606481
Energy: 1.2600017601912243
Energy: 1.3074006345996168
Energy: 1.1773813480144955
Energy: 1.1984014878354317
Energy: 1.1773813480120439
Energy: 1.198401487834451
Energy: 1.1773813480154758
Energy: 1.198401487835922
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Energy: 1.2221958072013768
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Energy: 1.222195807200396
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Energy: 1.2325342544257998
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Energy: 1.1861483805162008
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Energy: 1.2532873854021493
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Energy: 1.2532873854011688
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Energy: 1.160206491350303
Energy: 1.2893950555819487
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Energy: 1.2893950555819487
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Energy: 1.2791798399766736
Energy: 1.2612680337412527
Energy: 1.2791798399761833
Energy: 1.261268033748117
Energy: 1.2137782676758488
Energy: 1.303973081280128
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Energy: 1.3039730812786572
Energy: 1.2137782676768296
Energy: 1.303973081280128
Energy: 1.2137782676807518
Energy: 1.1928712308516038
Energy: 1.2784043303052275
Energy: 1.1928712308569969
Energy: 1.278404330304737
Energy: 1.1928712308511134
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Energy: 1.1928712308565066
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Energy: 1.2694403874963285
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Energy: 1.2694403874987799
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Energy: 1.2694403874973093
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Energy: 1.1747380348541485
Energy: 1.168513940258233
Energy: 1.174738034860032
Energy: 1.1685139402592137
Energy: 1.1747380348541485
Energy: 1.1685139402587232
Energy: 1.3089252376681233
Energy: 1.2031058404736341
Energy: 1.30892523766273
Energy: 1.2031058404804982
Energy: 1.3089252376632203
Energy: 1.203105840475105
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Energy: 1.21990992343486
Energy: 1.2230102207675975
Energy: 1.2199099234309378
Energy: 1.223010220768578
Energy: 1.2199099234343698
Energy: 1.22301022076421
Energy: 1.2199099234299573
Energy: 1.2564397359115111
Energy: 1.3053649849965954
Energy: 1.2564397359159236
Energy: 1.305364985001008
Energy: 1.2564397359115111
Energy: 1.3053649849970856
Energy: 1.2564397359169042
Energy: 1.183304253424806
Energy: 1.2666996154547874
Energy: 1.183304253424806
Energy: 1.266699615454297
Energy: 1.183304253425296
Energy: 1.2666996154533166
Energy: 1.1833042534243157
Energy: 1.1828926691444532
Energy: 1.2700644523553677
Energy: 1.1828926691380794
Energy: 1.2700644523587998
Energy: 1.182892669143963
Energy: 1.2700644523553677
Energy: 1.18289266913906
Energy: 1.1737280597822481
Energy: 1.2374544244150383
Energy: 1.1737280597793063
Energy: 1.2374544244145478
Energy: 1.1737280597822481
Energy: 1.237454424416509
Energy: 1.1737280597797966
Energy: 1.20026846106262
Energy: 1.2400235446822445
Energy: 1.2002684610636005
Energy: 1.2400235446827348
Energy: 1.2002684610636005
Energy: 1.240023544683225
Energy: 1.2002684610631102

minimum gb energy = 1.1528230066757437 eV
minimum distance =  2.258750399557 Angstroms
sigma value = 401


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

Energy: 1.2731540380570476
Energy: 1.3475384718321233
Energy: 1.2731540380576039
Energy: 1.3475384718293404
Energy: 1.273154038060387
Energy: 1.3475384718321233
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Energy: 1.1998905132002646
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Energy: 1.2990318351669943
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Energy: 1.1881270844453868
Energy: 1.308767076222142
Energy: 1.1881270844464997
Energy: 1.3087670762260377
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Energy: 1.2990318351664376
Energy: 1.175211013327105
Energy: 1.2990318351675505
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Energy: 1.2990318351664376
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Energy: 1.2993582663922096
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Energy: 1.2328064465119952
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Energy: 1.2328064465064301
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Energy: 1.299230107325403
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Energy: 1.2328285001605683
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Energy: 1.232828500161125
Energy: 1.2991770148691788
Energy: 1.2328285001605683
Energy: 1.299177014866396
Energy: 1.2328285001605683
Energy: 1.2315632326634434
Energy: 1.2993436203086501
Energy: 1.2315632326656691
Energy: 1.2993436203147717
Energy: 1.2315632326634434
Energy: 1.2993436203086501
Energy: 1.2315632326662258
Energy: 1.1751693623365715
Energy: 1.2991535089167507
Energy: 1.1751693623365715
Energy: 1.299153508918977
Energy: 1.1751693623371278
Energy: 1.2991535089161943
Energy: 1.1751693623365715
Energy: 1.188447566519145
Energy: 1.3086444435725384
Energy: 1.1884475665158056
Energy: 1.308644443569756
Energy: 1.1884475665197014
Energy: 1.3086444435725384
Energy: 1.1884475665163623
Energy: 1.1754125165107394
Energy: 1.2039023118301726
Energy: 1.1754125165107394
Energy: 1.2039023118262773
Energy: 1.1754125165107394
Energy: 1.2039023118307293
Energy: 1.1754125165107394
Energy: 1.1998311600490221
Energy: 1.1920731673399514
Energy: 1.1998311600501352
Energy: 1.1920731673321598
Energy: 1.1998311600495786
Energy: 1.1920731673393947
Energy: 1.1998311600501352
Energy: 1.2731540380581605
Energy: 1.3475384718304537
Energy: 1.273154038056491
Energy: 1.3475384718282275
Energy: 1.2731540380620565
Energy: 1.3475384718304537
Energy: 1.2731540380570476
Energy: 1.1998905132002646
Energy: 1.1920771939105048
Energy: 1.199890513200821
Energy: 1.1920771939038266
Energy: 1.199890513200821
Energy: 1.1920771939099486
Energy: 1.199890513200821

minimum gb energy = 1.1751693623360149 eV
minimum distance =  2.28074388726011 Angstroms
sigma value = 311


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

Energy: 1.228505248874532
Energy: 1.2657136707317138
Energy: 1.228505248872604
Energy: 1.2657136707355405
Energy: 1.2285052488738895
Energy: 1.2657136707317138
Energy: 1.2285052488732469
Energy: 1.2070626398177204
Energy: 1.205082579568562
Energy: 1.2070626398196482
Energy: 1.2050825795672766
Energy: 1.2070626398170778
Energy: 1.205082579566634
Energy: 1.207062639818363
Energy: 1.1510444573295802
Energy: 1.181347464538801
Energy: 1.1510444573289376
Energy: 1.1813474645394435
Energy: 1.1510444573276524
Energy: 1.1813474645381583
Energy: 1.1510444573289376
Energy: 1.308460635479847
Energy: 1.270912548998217
Energy: 1.3084606354785617
Energy: 1.2709125489975743
Energy: 1.3084606354785617
Energy: 1.270912548996289
Energy: 1.3084606354817458
Energy: 1.2746288954521219
Energy: 1.3705325429543074
Energy: 1.2746288954546923
Energy: 1.3705325429543074
Energy: 1.274628895455335
Energy: 1.3705325429568778
Energy: 1.2746288954527645
Energy: 1.1822477762577202
Energy: 1.3440764370254843
Energy: 1.1822477762590051
Energy: 1.344076437026127
Energy: 1.1822477762596477
Energy: 1.3440764370254843
Energy: 1.1822477762577202
Energy: 1.1932624121591768
Energy: 1.340485565728063
Energy: 1.1932624121598194
Energy: 1.340485565728063
Energy: 1.1932624121591768
Energy: 1.3404855657293482
Energy: 1.1932624121591768
Energy: 1.3255526958270254
Energy: 1.3288202655511345
Energy: 1.325552695827668
Energy: 1.3288202655524195
Energy: 1.32555269582574
Energy: 1.3288202655504917
Energy: 1.3255526958270254
Energy: 1.273745322850173
Energy: 1.3235844915405524
Energy: 1.2737453228508155
Energy: 1.3235844915386243
Energy: 1.273745322850173
Energy: 1.3235844915405524
Energy: 1.2737453228508155
Energy: 1.1392572955337221
Energy: 1.2757070883649242
Energy: 1.1392572955362925
Energy: 1.2757070883623536
Energy: 1.1392572955362925
Energy: 1.2757070883629962
Energy: 1.1392572955343647
Energy: 1.1483673543068773
Energy: 1.2797181672067004
Energy: 1.148367354308805
Energy: 1.2797181672060576
Energy: 1.1483673543107331
Energy: 1.2797181672060576
Energy: 1.14836735430752
Energy: 1.3527635783925946
Energy: 1.306118314586935
Energy: 1.3527635783925946
Energy: 1.306118314586935
Energy: 1.352763578390024
Energy: 1.3061183145862925
Energy: 1.3527635783932372
Energy: 1.3003428599195817
Energy: 1.2615547198755974
Energy: 1.300342859920867
Energy: 1.2615547198749546
Energy: 1.3003428599202242
Energy: 1.2615547198736694
Energy: 1.3003428599182965
Energy: 1.187805194797376
Energy: 1.2204200483440317
Energy: 1.1878051947986612
Energy: 1.2204200483446743
Energy: 1.1878051947960906
Energy: 1.2204200483453171
Energy: 1.187805194800589
Energy: 1.2873114934004317
Energy: 1.3184690034190218
Energy: 1.2873114934023597
Energy: 1.3184690034190218
Energy: 1.2873114934004317
Energy: 1.3184690034203073
Energy: 1.2873114933997891
Energy: 1.2166468962811656
Energy: 1.269680911537202
Energy: 1.2166468962837362
Energy: 1.2696809115365595
Energy: 1.2166468962818084
Energy: 1.269680911537202
Energy: 1.216646896280523
Energy: 1.208362850111314
Energy: 1.2082020586534647
Energy: 1.2083628501106713
Energy: 1.2082020586573206
Energy: 1.2083628501119565
Energy: 1.2082020586547502
Energy: 1.2083628501145272
Energy: 1.1476226654235246
Energy: 1.263075572069169
Energy: 1.1476226654254527
Energy: 1.2630755720685265
Energy: 1.1476226654241675
Energy: 1.2630755720704543
Energy: 1.147622665422882
Energy: 1.312474083036746
Energy: 1.3646105950980951
Energy: 1.312474083036746
Energy: 1.3646105950987377
Energy: 1.3124740830361032
Energy: 1.3646105951000231
Energy: 1.3124740830354606
Energy: 1.274430215947255
Energy: 1.337499589525075
Energy: 1.274430215947255
Energy: 1.3374995895270025
Energy: 1.274430215950468
Energy: 1.3374995895295732
Energy: 1.2744302159478975
Energy: 1.2063881970078374
Energy: 1.1983594307100922
Energy: 1.20638819700848
Energy: 1.1983594307100922
Energy: 1.2063881970091226
Energy: 1.1983594307113774
Energy: 1.2063881970071948
Energy: 1.225474378292382
Energy: 1.306455500774314
Energy: 1.225474378292382
Energy: 1.3064555007736716
Energy: 1.22547437829431
Energy: 1.3064555007768848
Energy: 1.22547437829431
Energy: 1.2508315115585003
Energy: 1.269973568519282
Energy: 1.2508315115565725
Energy: 1.269973568520567
Energy: 1.2508315115540016
Energy: 1.2699735685199245
Energy: 1.2508315115546444
Energy: 1.3018999333718975
Energy: 1.3191202256679149
Energy: 1.3018999333693273
Energy: 1.3191202256679149
Energy: 1.3018999333725403
Energy: 1.3191202256692
Energy: 1.3018999333725403
Energy: 1.1464129353338586
Energy: 1.1644052358884314
Energy: 1.1464129353325736
Energy: 1.164405235887146
Energy: 1.146412935335144
Energy: 1.1644052358884314
Energy: 1.1464129353325736
Energy: 1.2599975515486457
Energy: 1.323289631941847
Energy: 1.2599975515473603
Energy: 1.3232896319412044
Energy: 1.2599975515492883
Energy: 1.3232896319412044
Energy: 1.259997551548003
Energy: 1.2970370013041825
Energy: 1.3268447136469372
Energy: 1.2970370013028971
Energy: 1.3268447136482227
Energy: 1.2970370013048251
Energy: 1.3268447136462946
Energy: 1.2970370013028971
Energy: 1.2637854350421032
Energy: 1.3902389660858219
Energy: 1.263785435044031
Energy: 1.390238966085179
Energy: 1.263785435042746
Energy: 1.3902389660864645
Energy: 1.2637854350433886
Energy: 1.1945367803030198
Energy: 1.2238134204501985
Energy: 1.194536780302377
Energy: 1.2238134204476279
Energy: 1.1945367803043048
Energy: 1.2238134204469853
Energy: 1.1945367803030198
Energy: 1.3019910536152761
Energy: 1.3662128379971796
Energy: 1.3019910536172041
Energy: 1.366212837996537
Energy: 1.3019910536165613
Energy: 1.3662128379952518
Energy: 1.3019910536159187
Energy: 1.3205929652016652
Energy: 1.3170153739151194
Energy: 1.320592965198452
Energy: 1.3170153739176897
Energy: 1.3205929651978094
Energy: 1.3170153739176897
Energy: 1.3205929651990949
Energy: 1.148471776105316
Energy: 1.2678696628845871
Energy: 1.1484717761021028
Energy: 1.2678696628807313
Energy: 1.1484717761021028
Energy: 1.2678696628813741
Energy: 1.148471776105316
Energy: 1.162103517860079
Energy: 1.1673322160363986
Energy: 1.1621035178587935
Energy: 1.167332216037684
Energy: 1.1621035178575083
Energy: 1.1673322160408972
Energy: 1.1621035178587935
Energy: 1.3228764683700776
Energy: 1.3469120261695566
Energy: 1.322876468371363
Energy: 1.3469120261682714
Energy: 1.3228764683707204
Energy: 1.346912026166986
Energy: 1.3228764683707204
Energy: 1.346384137753665
Energy: 1.3419042401156482
Energy: 1.3463841377543078
Energy: 1.341904240117547
Energy: 1.3463841377588062
Energy: 1.341904240117547
Energy: 1.3463841377555932
Energy: 1.1857147811823734
Energy: 1.2253082014134968
Energy: 1.1857147811836586
Energy: 1.2253082014122116
Energy: 1.185714781181088
Energy: 1.2253082014134968
Energy: 1.1857147811804454

minimum gb energy = 1.1392572955337221 eV
minimum distance =  2.20742085588054 Angstroms
sigma value = 39


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

Energy: 1.2030286001295276
Energy: 1.2322315038230076
Energy: 1.2030286001287693
Energy: 1.2322315038207323
Energy: 1.2030286001295276
Energy: 1.2322315038230076
Energy: 1.2030286001287693
Energy: 1.2534865800316444
Energy: 1.13178724474241
Energy: 1.2534865800316444
Energy: 1.13178724474241
Energy: 1.2534865800324027
Energy: 1.13178724474241
Energy: 1.2534865800324027
Energy: 1.1946704443522165
Energy: 1.1537699317209928
Energy: 1.1946704443522165
Energy: 1.1537699317240266
Energy: 1.1946704443522165
Energy: 1.1537699317202346
Energy: 1.1946704443522165
Energy: 1.2535659215819972
Energy: 1.1407212948287417
Energy: 1.2535659215782053
Energy: 1.1407212948279832
Energy: 1.2535659215789634
Energy: 1.1407212948287417
Energy: 1.2535659215789634
Energy: 1.2616878144475885
Energy: 1.1319648052868605
Energy: 1.2616878144468302
Energy: 1.1319648052876188
Energy: 1.2616878144468302
Energy: 1.1319648052868605
Energy: 1.2616878144483468
Energy: 1.253121492563939
Energy: 1.1320539237798088
Energy: 1.2531214925646974
Energy: 1.1320539237805676
Energy: 1.253121492563939
Energy: 1.1320539237805676
Energy: 1.2531214925654557
Energy: 1.2514390110134794
Energy: 1.1536318954221552
Energy: 1.2514390110112041
Energy: 1.1536318954198799
Energy: 1.2514390110096874
Energy: 1.1536318954229137
Energy: 1.2514390110043785
Energy: 1.2271561701306744
Energy: 1.1486699568484968
Energy: 1.2271561701321914
Energy: 1.148669956849255
Energy: 1.227156170129916
Energy: 1.1486699568484968
Energy: 1.2271561701329499
Energy: 1.2762132817954674
Energy: 1.1320441803939356
Energy: 1.276213281796226
Energy: 1.1320441803931771
Energy: 1.2762132817947092
Energy: 1.1320441803939356
Energy: 1.2762132817947092
Energy: 1.2021331016500028
Energy: 1.2328255216114732
Energy: 1.2021331016484862
Energy: 1.2328255216114732
Energy: 1.2021331016492443
Energy: 1.2328255216099564
Energy: 1.2021331016477275
Energy: 1.2521079981658618
Energy: 1.1522670244152684
Energy: 1.252107998164345
Energy: 1.1522670244152684
Energy: 1.2521079981673784
Energy: 1.1522670244160265
Energy: 1.2521079981628278
Energy: 1.2091139482191362
Energy: 1.148569396319167
Energy: 1.2091139482198947
Energy: 1.1485693963161334
Energy: 1.2091139482191362
Energy: 1.1485693963184087
Energy: 1.2091139482198947
Energy: 1.3154567941556932
Energy: 1.1386058914966484
Energy: 1.3154567941556932
Energy: 1.1386058914974067
Energy: 1.3154567941556932
Energy: 1.1386058914974067
Energy: 1.3154567941549349
Energy: 1.208948598155615
Energy: 1.1489070927965708
Energy: 1.2089485981578902
Energy: 1.1489070927973293
Energy: 1.2089485981563735
Energy: 1.148907092795812
Energy: 1.2089485981578902
Energy: 1.2461252829924254
Energy: 1.215169342981884
Energy: 1.2461252829947007
Energy: 1.215169342981884
Energy: 1.2737427754433106
Energy: 1.2151693429811254
Energy: 1.2274051893660802
Energy: 1.2090403362230557
Energy: 1.1488288792228485
Energy: 1.2090403362230557
Energy: 1.1488288792236068
Energy: 1.2090403362230557
Energy: 1.1488288792228485
Energy: 1.2090403362238142
Energy: 1.315496351980746
Energy: 1.1385695383311973
Energy: 1.3154963519830214
Energy: 1.1385695383334726
Energy: 1.315496351980746
Energy: 1.1385695383311973
Energy: 1.3154963519815046
Energy: 1.208974123620632
Energy: 1.1485375727160454
Energy: 1.2089741236198737
Energy: 1.148537572715287
Energy: 1.208974123620632
Energy: 1.1485375727168037
Energy: 1.2089741236191152
Energy: 1.2464950509300625
Energy: 1.1522572831694955
Energy: 1.2799085505186805
Energy: 1.1522572831672204
Energy: 1.2521417591177337
Energy: 1.152257283170254
Energy: 1.2521417591169752
Energy: 1.202116205068497
Energy: 1.232760325477804
Energy: 1.20211620506698
Energy: 1.2327603254785622
Energy: 1.202116205068497
Energy: 1.2327603254785622
Energy: 1.20211620506698
Energy: 1.2762941461745927
Energy: 1.1320774581309672
Energy: 1.2762941461745927
Energy: 1.1320774581317257
Energy: 1.276294146176868
Energy: 1.1320774581309672
Energy: 1.2762941461745927
Energy: 1.2272722916406569
Energy: 1.1486472794781613
Energy: 1.2272722916398984
Energy: 1.148647279479678
Energy: 1.2272722916406569
Energy: 1.1486472794781613
Energy: 1.2272722916398984
Energy: 1.2085553467494676
Energy: 1.1534211041997255
Energy: 1.2571751343633268
Energy: 1.1534211041997255
Energy: 1.244340052165726
Energy: 1.1534211041997255
Energy: 1.2861472620033931
Energy: 1.252800238321896
Energy: 1.1320406972812156
Energy: 1.2528002383211374
Energy: 1.1320406972827328
Energy: 1.2528002383211374
Energy: 1.132040697281974
Energy: 1.2528002383211374
Energy: 1.2616160998823909
Energy: 1.1319625742526962
Energy: 1.261616099879357
Energy: 1.1319625742496624
Energy: 1.2616160998823909
Energy: 1.1319625742511792
Energy: 1.2616160998801156
Energy: 1.2527855180042577
Energy: 1.1412093643681342
Energy: 1.252785518000466
Energy: 1.1412093643635837
Energy: 1.252785518002741
Energy: 1.1412093643688925
Energy: 1.2527855180012242
Energy: 1.1946942288123514
Energy: 1.153790125266089
Energy: 1.1946942288108344
Energy: 1.1537901252638136
Energy: 1.1946942288123514
Energy: 1.1537901252653306
Energy: 1.1946942288100761
Energy: 1.251259208557062
Energy: 1.1318235928241434
Energy: 1.2512592085540624
Energy: 1.1318235928233848
Energy: 1.2512592085540624
Energy: 1.1318235928233848
Energy: 1.2512592085540624
Energy: 1.2030286001295276
Energy: 1.2322315038230076
Energy: 1.2030286001272523
Energy: 1.2322315038214904
Energy: 1.2030286001295276
Energy: 1.2322315038222489
Energy: 1.2030286001280108
Energy: 1.2534865800308859
Energy: 1.1317872447393764
Energy: 1.2534865800301274
Energy: 1.1317872447393764
Energy: 1.2534865800308859
Energy: 1.1317872447393764
Energy: 1.2534865800301274

minimum gb energy = 1.1317872447393764 eV
minimum distance =  2.23388866603719 Angstroms
sigma value = 21


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

Energy: 1.256552039330623
Energy: 1.2870016306960435
Energy: 1.2565520393333853
Energy: 1.2870016306969638
Energy: 1.256552039331544
Energy: 1.2870016306960435
Energy: 1.2565520393333853
Energy: 1.1293760020895474
Energy: 1.1015010524620317
Energy: 1.1293760020895474
Energy: 1.1015010524620317
Energy: 1.1293760020895474
Energy: 1.1015010524620317
Energy: 1.1293760020895474
Energy: 1.2683523088962998
Energy: 1.2131013154075243
Energy: 1.2683523088962998
Energy: 1.2131013154047623
Energy: 1.2683523088953788
Energy: 1.213101315406604
Energy: 1.2683523088962998
Energy: 1.1217353957305
Energy: 1.102397309663331
Energy: 1.121735395731421
Energy: 1.1023973096614896
Energy: 1.1217353957305
Energy: 1.102397309663331
Energy: 1.121735395731421
Energy: 1.0595398849591664
Energy: 1.146186398746267
Energy: 1.0595398849573248
Energy: 1.146186398746267
Energy: 1.0595398849591664
Energy: 1.146186398746267
Energy: 1.0595398849573248
Energy: 1.0783181907888673
Energy: 1.1067405792951845
Energy: 1.0783181907888673
Energy: 1.106740579294264
Energy: 1.0783181907897879
Energy: 1.1067405792961051
Energy: 1.0783181907888673
Energy: 1.077561153922331
Energy: 1.1733465269539298
Energy: 1.0775611539214105
Energy: 1.1733465269530092
Energy: 1.0775611539214105
Energy: 1.1733465269539298
Energy: 1.0775611539214105
Energy: 1.0592083334720406
Energy: 1.0902154554237353
Energy: 1.0592083334729612
Energy: 1.0902154554237353
Energy: 1.0592083334729612
Energy: 1.0902154554237353
Energy: 1.0592083334729612
Energy: 1.1244940463920152
Energy: 1.0904641316283308
Energy: 1.1244940463920152
Energy: 1.0904641316283308
Energy: 1.1244940463920152
Energy: 1.0904641316283308
Energy: 1.1244940463929358
Energy: 1.0785433223942504
Energy: 1.1493890993929035
Energy: 1.0785433223942504
Energy: 1.1493890994683584
Energy: 1.0785433223942504
Energy: 1.1493890994508864
Energy: 1.0785433223951713
Energy: 1.0787133247898895
Energy: 1.1113422062031828
Energy: 1.0787133247898895
Energy: 1.1113422062041036
Energy: 1.0787133247898895
Energy: 1.1113422062031828
Energy: 1.0787133247898895
Energy: 1.0594760959640555
Energy: 1.137324075420325
Energy: 1.059476095964976
Energy: 1.1373240754221665
Energy: 1.059476095964976
Energy: 1.1373240754212457
Energy: 1.0594760959658969
Energy: 1.1159278881711487
Energy: 1.094941453005367
Energy: 1.1159278881702284
Energy: 1.0949414530099701
Energy: 1.1159278881711487
Energy: 1.094941453005367
Energy: 1.1159278881702284
Energy: 1.1713291965099688
Energy: 1.1734902422818223
Energy: 1.1713291965081276
Energy: 1.1734902422864257
Energy: 1.171329196509048
Energy: 1.1734902422901086
Energy: 1.1713291965081276
Energy: 1.1261803849537206
Energy: 1.1105753344046598
Energy: 1.1261803849537206
Energy: 1.1105753344037392
Energy: 1.1261803849537206
Energy: 1.1105753344046598
Energy: 1.1261803849537206
Energy: 1.2466885808959576
Energy: 1.2220047292394562
Energy: 1.2466885808941373
Energy: 1.2220047292385354
Energy: 1.2466885808959576
Energy: 1.2220047292394562
Energy: 1.2466885808950368
Energy: 1.1546657627950427
Energy: 1.1076843760302808
Energy: 1.1546657627932222
Energy: 1.1076843760284394
Energy: 1.1546657627950427
Energy: 1.1076843760302808
Energy: 1.1546657627932222
Energy: 1.172213786374581
Energy: 1.1737825752414335
Energy: 1.1722137863736604
Energy: 1.1737825752331472
Energy: 1.1722137863736604
Energy: 1.1737825752322264
Energy: 1.172213786374581
Energy: 1.1556120303232083
Energy: 1.1117603172904296
Energy: 1.1556120303222879
Energy: 1.1117603172922708
Energy: 1.1556120303232083
Energy: 1.1117603172904296
Energy: 1.1556120303222879
Energy: 1.0594544939707402
Energy: 1.1016689911732067
Energy: 1.0594544939707402
Energy: 1.1016689911741273
Energy: 1.0594544939707402
Energy: 1.1016689911732067
Energy: 1.059454493971661
Energy: 1.115633485762997
Energy: 1.167182679075039
Energy: 1.115633485762997
Energy: 1.1671826790796427
Energy: 1.115633485762997
Energy: 1.1671826790759599
Energy: 1.1156334857620767
Energy: 1.077647402268818
Energy: 1.1711793967517161
Energy: 1.0776474022678972
Energy: 1.1711793967517161
Energy: 1.0776474022678972
Energy: 1.171179396752637
Energy: 1.0776474022678972
Energy: 1.1484568958092043
Energy: 1.110941879053327
Energy: 1.1484568958092043
Energy: 1.1109418790514853
Energy: 1.1484568958101251
Energy: 1.1109418790542476
Energy: 1.1484568958092043
Energy: 1.1277873291547411
Energy: 1.1005990857891204
Energy: 1.1277873291565825
Energy: 1.100599085787279
Energy: 1.1277873291547411
Energy: 1.1005990857891204
Energy: 1.1277873291565825
Energy: 1.1104417298468987
Energy: 1.1687758845595124
Energy: 1.1104417298468987
Energy: 1.168775884560433
Energy: 1.1104417298468987
Energy: 1.1687758845595124
Energy: 1.1104417298468987

minimum gb energy = 1.0592083334720406 eV
minimum distance =  2.27827533054155 Angstroms
sigma value = 113


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

Energy: 1.058414684914294
Energy: 1.107795086020982
Energy: 1.0584146849168632
Energy: 1.1077950860127608
Energy: 1.0584146849163494
Energy: 1.1077950860137884
Energy: 1.058414684911725
Energy: 1.025962201217374
Energy: 0.9612815537588096
Energy: 1.0259622012214846
Energy: 0.9612815537562405
Energy: 1.0259622012189151
Energy: 0.9612815537582958
Energy: 1.0259622012219982
Energy: 1.0328439264917981
Energy: 0.9993802567731873
Energy: 1.0328439264902565
Energy: 0.9993802567706179
Energy: 1.032843926492312
Energy: 0.9993802567737011
Energy: 1.0328439264917981
Energy: 0.9938420346451966
Energy: 0.9772559238585264
Energy: 0.9938420346431414
Energy: 0.9772559238605817
Energy: 0.9938420346451966
Energy: 0.9772559238605817
Energy: 0.9938420346421135
Energy: 0.9977807704977324
Energy: 1.034093850775038
Energy: 0.9977807704977324
Energy: 1.034093850764808
Energy: 0.9977807704972186
Energy: 1.0340938507617248
Energy: 0.9977807704977324
Energy: 0.9713044885187783
Energy: 0.9635140084432731
Energy: 0.9713044885203195
Energy: 0.9635140084443008
Energy: 0.9713044885187783
Energy: 0.9635140084448146
Energy: 0.971304488519292
Energy: 0.9861212804839262
Energy: 0.9877483887595128
Energy: 0.9861212804854677
Energy: 0.987748388768248
Energy: 0.9861212804849538
Energy: 0.9877483887625957
Energy: 0.9861212804849538
Energy: 0.9753990321783912
Energy: 0.9451222464076058
Energy: 0.9753990321783912
Energy: 0.945122246410175
Energy: 0.9753990321778773
Energy: 0.9451222464076058
Energy: 0.9753990321799327
Energy: 0.9653615537043951
Energy: 0.9804242133892965
Energy: 0.9653615536997706
Energy: 0.9804242133898105
Energy: 0.9653615537028536
Energy: 0.9804242133898105
Energy: 0.9653615536951462
Energy: 0.9720259418476811
Energy: 0.929123071064265
Energy: 0.9720259418466533
Energy: 0.9291230710570714
Energy: 0.9720259418487086
Energy: 0.929123071064265
Energy: 0.9720259418456256
Energy: 0.9601314201363935
Energy: 0.9445296871269726
Energy: 0.9601314201327966
Energy: 0.9445296871254311
Energy: 0.9601314201358797
Energy: 0.9445296871269726
Energy: 0.9601314201322828
Energy: 0.9974478865250568
Energy: 0.9572139692385971
Energy: 0.997447886527626
Energy: 0.9572139692380833
Energy: 0.9974478865250568
Energy: 0.9572139692385971
Energy: 0.9974478865281399
Energy: 0.9043053742974843
Energy: 0.9984951868212192
Energy: 0.9043053742979982
Energy: 0.9984951868212192
Energy: 0.9043053742959428
Energy: 0.9984951868243022
Energy: 0.9043053742969703
Energy: 0.9593104968782461
Energy: 0.9284380700799452
Energy: 0.95931049687876
Energy: 0.9284380700784037
Energy: 0.95931049687876
Energy: 0.9284380700814867
Energy: 0.9593104968777322
Energy: 0.9467264948146101
Energy: 0.922408680175094
Energy: 0.9467264948120407
Energy: 0.9224086801817272
Energy: 0.9467264948146101
Energy: 0.922408680175094
Energy: 0.9467264948120407
Energy: 1.0173658380218333
Energy: 0.9990102774783963
Energy: 1.0173658380244028
Energy: 0.9990102774789104
Energy: 1.017365838020806
Energy: 0.999010277476855
Energy: 1.0173658380244028
Energy: 0.9058046697207524
Energy: 0.9267871559647773
Energy: 0.9058046697202385
Energy: 0.9267871559688882
Energy: 0.9058046697222939
Energy: 0.9267871559652913
Energy: 0.9058046697192109
Energy: 0.9730432017527603
Energy: 0.9414659642892508
Energy: 0.9730432017522465
Energy: 0.9414659642949029
Energy: 0.973043201753788
Energy: 0.9414659642892508
Energy: 0.9730432017517326
Energy: 0.9672985295282552
Energy: 0.9234309966440398
Energy: 0.9672985295261998
Energy: 0.9234309966466089
Energy: 0.9672985295277413
Energy: 0.9234309966450676
Energy: 0.9672985295272276
Energy: 0.9656449446954884
Energy: 1.004634977393645
Energy: 0.9656449446970299
Energy: 1.0046349773987835
Energy: 0.9656449446954884
Energy: 1.0046349773885068
Energy: 0.9656449446960023
Energy: 0.98273695281563
Energy: 0.9269207513846889
Energy: 0.9827369528171715
Energy: 0.9269207513867442
Energy: 0.9827369528161438
Energy: 0.9269207513846889
Energy: 0.9827369528171715
Energy: 0.9922757109746533
Energy: 0.9630804169245807
Energy: 0.99227571097825
Energy: 0.9630804169256085
Energy: 0.9922757109751671
Energy: 0.9630804169245807
Energy: 0.992275710978764
Energy: 0.9559751711975953
Energy: 1.0022396234410136
Energy: 0.9559751712011922
Energy: 1.0022396234440967
Energy: 0.9559751711986229
Energy: 1.0022396234410136
Energy: 0.9559751712006782
Energy: 0.9674208903589605
Energy: 1.0305559294753774
Energy: 0.9674208903620436
Energy: 1.0305559402478062
Energy: 0.9674208903584467
Energy: 1.0305559287953359
Energy: 0.9674208903615297
Energy: 0.962668030902904
Energy: 0.9739961056862138
Energy: 0.962668030950691
Energy: 0.9739961056877553
Energy: 0.9626680309229437
Energy: 0.9739961056867278
Energy: 0.9626680309599401
Energy: 1.023601337655297
Energy: 0.9695476678910636
Energy: 1.0236013376475894
Energy: 0.969547667893633
Energy: 1.0236013376537554
Energy: 0.9695476678915776
Energy: 1.0236013376506725
Energy: 1.0237002431309545
Energy: 0.959885006378497
Energy: 1.02370024313301
Energy: 0.9598850064026007
Energy: 1.0237002431304407
Energy: 0.9598850064026007
Energy: 1.0237002431324962
Energy: 1.029009542478101
Energy: 1.0760871997177885
Energy: 1.0290095424750179
Energy: 1.0760872012478582
Energy: 1.029009542478101
Energy: 1.0760872080182824
Energy: 1.029009542475532
Energy: 1.0045418825978505
Energy: 0.962144382657145
Energy: 1.004541684487709
Energy: 0.9621443826530343
Energy: 1.004541987307499
Energy: 0.9621443826561172
Energy: 1.0045419341914934
Energy: 1.0145270032247293
Energy: 0.9696786287265653
Energy: 1.0145270032283262
Energy: 0.9696786287291345
Energy: 1.0145270032237017
Energy: 0.9696786287275929
Energy: 1.0145270032288398
Energy: 0.9833452251288698
Energy: 1.1206538309837966
Energy: 0.9833452251298974
Energy: 1.1206538309873935
Energy: 0.9833452251283559
Energy: 1.1206538309848242
Energy: 0.9833452251293835
Energy: 0.967493397622941
Energy: 1.0039997762988402
Energy: 0.9674933976198579
Energy: 1.0039997762433925
Energy: 0.9674933976224269
Energy: 1.003999776325046
Energy: 0.9674933976224269
Energy: 1.0479941574215341
Energy: 0.9622016165645565
Energy: 1.0479941574220484
Energy: 0.9622016165635288
Energy: 1.0479941574235896
Energy: 0.9622016165640427
Energy: 1.0479941574241034
Energy: 0.9747007115186909
Energy: 0.9697831135443232
Energy: 0.9747007115808652
Energy: 0.9697831135427816
Energy: 0.9747007113461347
Energy: 0.9697831135458646
Energy: 0.9747007114195667
Energy: 0.9794725528475016
Energy: 1.0662927209322548
Energy: 0.9794725528433909
Energy: 1.06629272092763
Energy: 0.9794725528475016
Energy: 1.0662927209327684
Energy: 0.9794725528433909
Energy: 0.948248876305141
Energy: 0.9984479833721367
Energy: 0.9482488763066825
Energy: 0.9984479833583098
Energy: 0.9482488763046272
Energy: 0.9984479833295349
Energy: 0.9482488763061687
Energy: 0.9456548673413414
Energy: 0.927943114885984
Energy: 0.9456548673382583
Energy: 0.9279431148875253
Energy: 0.9456548673372308
Energy: 0.9279431148864977
Energy: 0.9456548673356892
Energy: 0.9694196065226743
Energy: 0.9233883054055091
Energy: 0.9694196065242159
Energy: 0.9233883054008847
Energy: 0.9694196065226743
Energy: 0.9233883054055091
Energy: 0.9694196065231883
Energy: 0.9560628001388349
Energy: 0.9769340347550537
Energy: 0.9560628001388349
Energy: 0.976934034757109
Energy: 0.9560628001383211
Energy: 0.9769340347555675
Energy: 0.9560628001383211
Energy: 0.9046518338876466
Energy: 1.0144307579380811
Energy: 0.9046518338912433
Energy: 1.0144307579283183
Energy: 0.9046518338881603
Energy: 1.0144307579170606
Energy: 0.9046518338912433
Energy: 0.9483169446244559
Energy: 0.9271839201654363
Energy: 0.9483169446254838
Energy: 0.9271839201695471
Energy: 0.9483169446239422
Energy: 0.9271839201644086
Energy: 0.9483169446259976
Energy: 0.951070654641969
Energy: 0.9202534775624358
Energy: 0.9510706546476213
Energy: 0.9202534775614082
Energy: 0.951070654641969
Energy: 0.9202534775624358
Energy: 0.9510706546476213
Energy: 0.9402774020824496
Energy: 1.0598794097555175
Energy: 0.9402774020793664
Energy: 1.05987940975449
Energy: 0.9402774020834771
Energy: 1.05987940975449
Energy: 0.9402774020814217
Energy: 0.9069782645662474
Energy: 0.9264097300480617
Energy: 0.9069782645734412
Energy: 0.9264097300485755
Energy: 0.9069782645667614
Energy: 0.9264097300485755
Energy: 0.9069782645724136
Energy: 0.938733307813793
Energy: 0.9399812667004757
Energy: 0.938733307813279
Energy: 0.939981266696879
Energy: 0.9387333078143067
Energy: 0.939981266699962
Energy: 0.938733307813279

minimum gb energy = 0.9043053742959428 eV
minimum distance =  2.26786898926714 Angstroms
sigma value = 365


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

Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 2.542499796417282
Energy: 1.0719586738494915
Energy: 2.5424899107508376
Energy: 1.0719586738518085
Energy: 2.270218049429805
Energy: 1.0719586738494915
Energy: 1.944311040498503
Energy: 0.40561720385966826
Energy: 0.32020441059052246
Energy: 0.4056172038585098
Energy: 0.32020441059168103
Energy: 0.40561720386082684
Energy: 0.32020441059052246
Energy: 0.40561720385966826
Energy: 2.270260977666707
Energy: 1.0719586738529672
Energy: 2.5425000567977376
Energy: 1.0719586738529672
Energy: 2.27032776880294
Energy: 1.0719586738529672
Energy: 2.3988235868649683
Energy: 0.40561720386082684
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 0.320204410589364
Energy: 0.40561720386082684
Energy: 0.32020441059168103
Energy: 0.4056172038585098
Energy: 1.9443073225044747
Energy: 1.0719586738518085
Energy: 1.9443071334196482
Energy: 1.07195867385065
Energy: 1.9443072230417284
Energy: 1.0719586738518085
Energy: 2.08319012240775
Energy: 0.4056172038585098
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.4056172038585098
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 1.9443071258127518
Energy: 1.07195867385065
Energy: 1.944307692263593
Energy: 1.0719586738518085
Energy: 1.9443079554255571
Energy: 1.07195867385065
Energy: 1.9443077515438179
Energy: 0.4056172038619853
Energy: 0.320204410589364
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.4056172038619853
Energy: 0.320204410589364
Energy: 0.40561720386082684
Energy: 2.0831877082277814
Energy: 1.0719586738518085
Energy: 1.9443071469774789
Energy: 1.0719586738518085
Energy: 1.944307387131181
Energy: 1.0719586738518085
Energy: 2.0831850546271333
Energy: 0.40561720386082684
Energy: 0.32020441059168103
Energy: 0.4056172038585098
Energy: 0.32020441059052246
Energy: 0.40561720385966826
Energy: 0.32020441059052246
Energy: 0.40561720385735134
Energy: 1.8453457755158096
Energy: 1.0719586738518085
Energy: 1.8454684292614267
Energy: 1.07195867385065
Energy: 1.8455058965183648
Energy: 1.0719586738518085
Energy: 1.8454345945718305
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 1.8454707241490804
Energy: 1.0719586738494915
Energy: 1.8454710587444578
Energy: 1.0719586738518085
Energy: 1.8455327568487745
Energy: 1.0719586738494915
Energy: 1.8455536332416382
Energy: 0.40561720385966826
Energy: 0.320204410589364
Energy: 0.4056172038585098
Energy: 0.32020441059168103
Energy: 0.40561720386082684
Energy: 0.320204410589364
Energy: 0.4056172038585098
Energy: 1.8454961942602484
Energy: 1.0719586738518085
Energy: 1.8454500742374478
Energy: 1.0719586738518085
Energy: 1.8453654725967306
Energy: 1.0719586738518085
Energy: 1.8455968115527928
Energy: 0.4056172038619853
Energy: 0.32020441059168103
Energy: 0.4056172038585098
Energy: 0.320204410589364
Energy: 0.40561720386082684
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 1.845533093576025
Energy: 1.0719586738518085
Energy: 1.8455033212041771
Energy: 1.07195867385065
Energy: 1.8454301226471215
Energy: 1.0719586738518085
Energy: 1.8454790276674407
Energy: 0.4056172038585098
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 0.32020441059168103
Energy: 0.4056172038585098
Energy: 0.32020441059168103
Energy: 0.40561720385966826
Energy: 1.8454027584857442
Energy: 1.07195867385065
Energy: 1.8453745971980606
Energy: 1.0719586738518085
Energy: 1.845520543651858
Energy: 1.07195867385065
Energy: 1.845594874876708

minimum gb energy = 0.320204410589364 eV
minimum distance =  2.24548371740185 Angstroms
sigma value = 23