Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050180745124819
cohesive_energy=3.5802830731630406
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.12362104130164e-19, 2.8430303935003197e-19, 3.31376591033586e-19, 3.69136689943698e-19, 4.03176534709662e-19, 4.3350734056791597e-19, 4.59094101412896e-19, 4.7997206513055e-19, 4.96908674328564e-19, 5.10727447796814e-19, 5.22086880131874e-19, 5.314868504435519e-19, 5.39310278947374e-19, 5.45864783557068e-19, 5.5140511035744e-19, 5.56128327074472e-19, 5.60188242665028e-19, 5.636825899037819e-19, 5.66662638443022e-19, 5.69131592636016e-19, 5.71073430716424e-19, 5.724689265646379e-19, 5.73302058414318e-19, 5.735792349719999e-19, 5.73286036647978e-19, 5.72363182906794e-19, 5.70765812802696e-19, 5.68487517629148e-19, 5.65138968464088e-19, 5.6030520155931e-19, 5.53819590544878e-19, 5.45515509050856e-19, 5.352071045877e-19, 5.226764811331859e-19, 5.07643257776364e-19, 4.89718105595172e-19, 4.68330649707906e-19, 4.42636543028448e-19, 4.1141492696168994e-19, 3.73017161751246e-19, 3.25357213419648e-19, 2.65829942760012e-19, 1.91186135558586e-19, 9.710119664487719e-20, -2.2595336851638598e-20, -1.7677615891238999e-19, -3.77676291402918e-19, -6.43320381673386e-19, -1.0025876635516438e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -9.5367431640625e-07 eV

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

Energy: 0.013471993116251474
Energy: 0.16196460920128655
Energy: 0.1625005708959338
Energy: 0.25814932319373846
Energy: 0.25850166129363955
Energy: 0.1023411551396731
Energy: 0.014468011107306163
Energy: 0.06119171213527287
Energy: 0.25930631091975226
Energy: 0.07835183289507393
Energy: 0.1619372661672598
Energy: 0.20654909893358483
Energy: 0.014627708474706291
Energy: 0.061221892153152595
Energy: 0.014317889920334089
Energy: 0.25742380063628445
Energy: 0.19411670471386017
Energy: 0.1621797187266379
Energy: 0.23182280606575972
Energy: 0.06099266126553011
Energy: 0.06234987582392428
Energy: 0.015642951432304486
Energy: 0.20746801092701175
Energy: 0.17576405958352326
Energy: 0.2581630241710686
Energy: 0.2594479642592958
Energy: 0.06121843086429608
Energy: 0.014371539179903995
Energy: 0.10249679396697685
Energy: 0.25955778942201424
Energy: 0.07816580066923251
Energy: 0.1621622759224608
Energy: 0.20719351922489745
Energy: 0.01456721921377259
Energy: 0.06116457739581329
Energy: 0.014390959400139748
Energy: 0.2345970633701513
Energy: 0.17626308119237757
Energy: 0.16692600620249823
Energy: 0.23212824513317087
Energy: 0.06091218933767824
Energy: 0.061892705051819874

minimum gb energy = 0.013471993116251474 eV
minimum distance =  2.83729211063942 Angstroms
sigma value = 5


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

Energy: 0.3841774098426634
Energy: 0.41891066352065576
Energy: 0.3979842166246815
Energy: 0.3877685901222915
Energy: 0.3838510840937273
Energy: 0.41054531551948686
Energy: 0.34642359054254107
Energy: 0.32330770478498416
Energy: 0.3644456950985086
Energy: 0.3366670785223495
Energy: 0.3747490081332892
Energy: 0.3370781162213044
Energy: 0.337729221265465
Energy: 0.362383807410444
Energy: 0.4356548047842398
Energy: 0.38883309166698804
Energy: 0.3508914663232974
Energy: 0.3313860484812531
Energy: 0.36240440214992137
Energy: 0.37962653351282466
Energy: 0.38990466456418793
Energy: 0.3344508049877843
Energy: 0.40800924633021485
Energy: 0.32924138194350433
Energy: 0.3330588585127306
Energy: 0.34677894990831676
Energy: 0.3246374234057343
Energy: 0.3719283998529733
Energy: 0.3856764568251406
Energy: 0.36546141264063875
Energy: 0.3595401262201111
Energy: 0.33864810044279087
Energy: 0.365933288677345
Energy: 0.37616046285554716
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Energy: 0.35112803771631845
Energy: 0.36977827610508485
Energy: 0.34675980457491273
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Energy: 0.36809039620425643
Energy: 0.3730500161906508
Energy: 0.3369193745333869
Energy: 0.3802473812859315
Energy: 0.3516592501947727
Energy: 0.36254700285383906
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Energy: 0.3426831017810524
Energy: 0.34320381710464026
Energy: 0.34675683518473976
Energy: 0.36060573265495544
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Energy: 0.38560821649611776
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Energy: 0.37523927903583787
Energy: 0.3392791097278703
Energy: 0.3725404944107949
Energy: 0.32898758400039957
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Energy: 0.3575908069575203
Energy: 0.34196166749190365
Energy: 0.36916971825382033
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Energy: 0.3519563833991003
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Energy: 0.375221437947134
Energy: 0.3441275577282158
Energy: 0.34424346000123784
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Energy: 0.3769063977510037
Energy: 0.37550771009449047
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Energy: 0.37406054187070426
Energy: 0.3417025759734019
Energy: 0.37432753935698015
Energy: 0.3466360473035984
Energy: 0.34080309699687145
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Energy: 0.35619428808148207
Energy: 0.3693240515019329
Energy: 0.36112303281165253
Energy: 0.3788918469420254
Energy: 0.36710462140581007
Energy: 0.38217405305686647
Energy: 0.3832003231155784
Energy: 0.3987394815052306
Energy: 0.38818101825113954
Energy: 0.3576810055904395
Energy: 0.37424944493289575
Energy: 0.3248035067117722
Energy: 0.359023610320652
Energy: 0.3551387336714131
Energy: 0.33061689001725847
Energy: 0.36536698832579967
Energy: 0.37919924572249664
Energy: 0.3377355256547536
Energy: 0.3897231673799849
Energy: 0.36836574267798805
Energy: 0.36209012954455155
Energy: 0.35994234598482755
Energy: 0.3749613708461797
Energy: 0.3269898038464675
Energy: 0.3517819136522432
Energy: 0.3286716591325616
Energy: 0.36438989399815747
Energy: 0.3363792946101655
Energy: 0.3540805444941268
Energy: 0.3439885096474015
Energy: 0.411457240138058
Energy: 0.3788706482011766
Energy: 0.37412949677345037
Energy: 0.36325588410670323
Energy: 0.3862634233979167
Energy: 0.40789677987502837
Energy: 0.3745663884959414
Energy: 0.33483792019178465
Energy: 0.36563996428294987
Energy: 0.3616570300712563
Energy: 0.38899576554757914
Energy: 0.3307834542688065
Energy: 0.33114026015987635
Energy: 0.3624682256891242
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Energy: 0.3518005914101831
Energy: 0.35299215913118
Energy: 0.36447678341236933
Energy: 0.3422350015950497
Energy: 0.3804043857888714
Energy: 0.35130829554951226

minimum gb energy = 0.31951172868382177 eV
minimum distance =  2.56390559063347 Angstroms
sigma value = 401


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

Energy: 0.38394278441474433
Energy: 0.3998750523967027
Energy: 0.3465423453070496
Energy: 0.34794902903510716
Energy: 0.47366519547083685
Energy: 0.3607939621915611
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Energy: 0.3717490913619191
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Energy: 0.33866346089407695
Energy: 0.33848835004366107
Energy: 0.33631332489869764
Energy: 0.3703200185183448
Energy: 0.35912161789289543
Energy: 0.36113955674259124
Energy: 0.33544620554413396
Energy: 0.3382558274346438
Energy: 0.32931392950175076
Energy: 0.33935216362989723
Energy: 0.3677835695165105
Energy: 0.3486941530544761
Energy: 0.37225144941293836
Energy: 0.38785558211262344
Energy: 0.3440527481479354
Energy: 0.3535944431218849
Energy: 0.3974016227662535
Energy: 0.3867452264147428
Energy: 0.3556278227648183
Energy: 0.3576263108338561
Energy: 0.349469270286463
Energy: 0.3981048729204227
Energy: 0.3398876272376658
Energy: 0.368613718685818
Energy: 0.3478101095278985
Energy: 0.3359094284432757
Energy: 0.33731534988414047
Energy: 0.3389031787573328
Energy: 0.3627834474075273
Energy: 0.34067456877592844
Energy: 0.3326565644149292
Energy: 0.3249416898319022
Energy: 0.32766490085756667
Energy: 0.3396837412902846
Energy: 0.34392654691270313
Energy: 0.3380054570160031
Energy: 0.3268649301911489
Energy: 0.35849576393687493
Energy: 0.3410478019525261
Energy: 0.3243636465707792
Energy: 0.3323415041856823
Energy: 0.33751470863073674
Energy: 0.34042789876716384
Energy: 0.3701291362139893
Energy: 0.35946568597072404
Energy: 0.3285628256190601
Energy: 0.333116172485084
Energy: 0.33145890379799137
Energy: 0.3355543593400595
Energy: 0.33350500252388465
Energy: 0.34123876818145527
Energy: 0.3660764849480971
Energy: 0.3377900794940084
Energy: 0.4269421717485356
Energy: 0.38208038237602304
Energy: 0.33150735300597245
Energy: 0.35551444380469205
Energy: 0.3376867303301139
Energy: 0.376989150459984
Energy: 0.37450397418400855
Energy: 0.3564538259823964
Energy: 0.3692380069267608
Energy: 0.345032018299246
Energy: 0.3760831351804042
Energy: 0.3462783256800219
Energy: 0.34706718445378143
Energy: 0.35791725474258645
Energy: 0.3939259469025308
Energy: 0.3416012992274658
Energy: 0.33905899547992785
Energy: 0.34409964275582916
Energy: 0.3352071790382936
Energy: 0.3408935099562439
Energy: 0.4085238491344479
Energy: 0.3574340512169181
Energy: 0.36012322853370216
Energy: 0.33130141828323706
Energy: 0.3415262708188131
Energy: 0.3305849706560022
Energy: 0.3384054082416873
Energy: 0.38096668091001157
Energy: 0.3392853964682591
Energy: 0.39637421537204465
Energy: 0.3690768145340264
Energy: 0.3448365360693119
Energy: 0.3299974179627074
Energy: 0.36111214258691215
Energy: 0.3978739244137705
Energy: 0.34747631447452154
Energy: 0.34635857556432365
Energy: 0.3661167629994958
Energy: 0.3332682682468189
Energy: 0.3495854147043133
Energy: 0.372892928577817
Energy: 0.3608076375496657
Energy: 0.3359812728608782
Energy: 0.3490611280039202
Energy: 0.3385494863879567
Energy: 0.35078093801381455
Energy: 0.4069331285401465
Energy: 0.3570543005758428
Energy: 0.35545696294366647
Energy: 0.3290370833428337
Energy: 0.3424736869079941
Energy: 0.33702293815242007
Energy: 0.3478892627254631
Energy: 0.35362983221083516
Energy: 0.33108480277242
Energy: 0.33923597075022455

minimum gb energy = 0.3243636465707792 eV
minimum distance =  2.53070813788685 Angstroms
sigma value = 311


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

Energy: 0.3719619021784236
Energy: 0.34566343011479295
Energy: 0.34694288375452137
Energy: 0.4078858232570983
Energy: 0.3404790891320863
Energy: 0.3679373484503728
Energy: 0.3511921218961288
Energy: 0.3476539070025082
Energy: 0.36815469852041327
Energy: 0.3329947006706483
Energy: 0.3262601543779636
Energy: 0.338084516106243
Energy: 0.3212238098947961
Energy: 0.379743175824773
Energy: 0.3268846650955012
Energy: 0.34725267175126323
Energy: 0.3347201054001956
Energy: 0.3336820905251912
Energy: 0.33813754532850937
Energy: 0.3381714663977708
Energy: 0.3496215024834159
Energy: 0.33042683870061546
Energy: 0.36687617677362777
Energy: 0.3370615278453101
Energy: 0.3663520131707296
Energy: 0.36908666002437857
Energy: 0.36098761025797815
Energy: 0.3738199785877014
Energy: 0.350914731760111
Energy: 0.35511378201348304
Energy: 0.3356407703324374
Energy: 0.33920644327773614
Energy: 0.3449489716408879
Energy: 0.3364421626771028
Energy: 0.3311097059110177
Energy: 0.3286348129881822
Energy: 0.3305776966354252
Energy: 0.3457101667808663
Energy: 0.3380598821332699
Energy: 0.3397408442948165
Energy: 0.32624371951530196
Energy: 0.3534707894869219
Energy: 0.3747174067852109
Energy: 0.3502421207095064
Energy: 0.3611485113867185
Energy: 0.330744625768619
Energy: 0.3435984229103808
Energy: 0.3503668366489094
Energy: 0.33334704982313784
Energy: 0.3306502096166562
Energy: 0.3505612577667491
Energy: 0.3530716168867779
Energy: 0.32783495452925354
Energy: 0.34564422616117846
Energy: 0.3287010809017332
Energy: 0.36300082720626864
Energy: 0.35537197382116503
Energy: 0.36330782614876417
Energy: 0.34080319126918585
Energy: 0.3408552797268054
Energy: 0.34530146923563737
Energy: 0.33108334942734163
Energy: 0.34539134877578853
Energy: 0.3505946927531087
Energy: 0.36801209190926726
Energy: 0.3301733675161058
Energy: 0.3622522493211307
Energy: 0.3608048065249534
Energy: 0.3519533504715278
Energy: 0.3576968678726027
Energy: 0.3490237254469329
Energy: 0.3426241672230423
Energy: 0.3400950440114065
Energy: 0.33990288697055443
Energy: 0.3323458031602361
Energy: 0.33631859865325264
Energy: 0.3524283140358485
Energy: 0.3289233598597826
Energy: 0.3498015553047717
Energy: 0.34200825549935077
Energy: 0.33053366512866705
Energy: 0.33883687840901283
Energy: 0.33523664875968195
Energy: 0.3472257901337709
Energy: 0.37656236122192926
Energy: 0.3378520671860503
Energy: 0.34739897023601907
Energy: 0.33571505913958016
Energy: 0.3433990885122849
Energy: 0.3514430320082166
Energy: 0.3252163365507661
Energy: 0.3336733362451124
Energy: 0.3937485700635329
Energy: 0.34305074753805687
Energy: 0.3525081769528147
Energy: 0.3728359798753261
Energy: 0.35629764484852516
Energy: 0.3610107750033707
Energy: 0.35631055350084306
Energy: 0.3306580362934807
Energy: 0.3339383771435831
Energy: 0.329969655146722
Energy: 0.34123148969009
Energy: 0.3337506757656967
Energy: 0.37115527085927497
Energy: 0.3416090142453722
Energy: 0.37580731826502606
Energy: 0.32988161098279617
Energy: 0.33415030197836476
Energy: 0.3553671316472593
Energy: 0.333587675694591
Energy: 0.3697048284309841
Energy: 0.3405758544214406
Energy: 0.35024726140618456
Energy: 0.3436474328819883
Energy: 0.3650894640771089
Energy: 0.3414579915542396
Energy: 0.3380438640169711
Energy: 0.3433880934014632
Energy: 0.3278779868798167
Energy: 0.3682745543863516
Energy: 0.34309996057246833
Energy: 0.3322666711724794
Energy: 0.34407255781407103
Energy: 0.3320126022510678
Energy: 0.3733401711685405
Energy: 0.37393179719833824
Energy: 0.3338706591122554
Energy: 0.3642891806221056
Energy: 0.33054982944266
Energy: 0.339034145310324
Energy: 0.35667005037487565
Energy: 0.32585268989483396
Energy: 0.3332252381456277
Energy: 0.39286042593762827
Energy: 0.34138826632508446
Energy: 0.3565584348321529
Energy: 0.36053373394962884
Energy: 0.35665600669401953
Energy: 0.3863858408434091
Energy: 0.36054374515060733
Energy: 0.33710818235275725
Energy: 0.34306672727920645
Energy: 0.3304543250293796
Energy: 0.34752341893557515
Energy: 0.3354183995142321
Energy: 0.32223538375898114
Energy: 0.3353516801925381
Energy: 0.3665051805628236
Energy: 0.34479087079999454
Energy: 0.3464755856661781
Energy: 0.36257456324175236
Energy: 0.33833784337560235
Energy: 0.37251044036379355
Energy: 0.3340154658317897
Energy: 0.34399721500891195
Energy: 0.34323446164906135
Energy: 0.33471625600606575
Energy: 0.3407277319943364
Energy: 0.34791155253073824
Energy: 0.3391534844545518
Energy: 0.33755766950636157
Energy: 0.37253010607714965
Energy: 0.34097950827739054
Energy: 0.33083431886992204
Energy: 0.3430644403285535
Energy: 0.33112640345157446
Energy: 0.3614980106870639
Energy: 0.36971318159559413
Energy: 0.33652901216438613
Energy: 0.3607847406200285
Energy: 0.3350484050803687
Energy: 0.3423355411271124
Energy: 0.3465544807012224
Energy: 0.37272837044617213
Energy: 0.333481747367771
Energy: 0.39290054026858123
Energy: 0.33896729212999366
Energy: 0.3569716103964315
Energy: 0.3654937371885825
Energy: 0.36153019710493317
Energy: 0.3529060383516913
Energy: 0.355427064639829
Energy: 0.33731139427276996
Energy: 0.3456870345176398
Energy: 0.3376067359600466
Energy: 0.3403390553516579
Energy: 0.3364086507042142
Energy: 0.33719358764396284
Energy: 0.3571662049686383
Energy: 0.37451939186646177
Energy: 0.3446747463735777
Energy: 0.33099202594729016
Energy: 0.3553855460449601
Energy: 0.32946524287697554
Energy: 0.35472489769239185
Energy: 0.34000481660566606
Energy: 0.3638502734995223
Energy: 0.3376614627723114
Energy: 0.3317329184298578
Energy: 0.34028130164369613
Energy: 0.3497418699530601
Energy: 0.3330281572327128
Energy: 0.3614662413542239
Energy: 0.3647145629648959
Energy: 0.3402654824151144
Energy: 0.3753147796937946
Energy: 0.33983858255575916
Energy: 0.3531455941029006
Energy: 0.3533703051692563
Energy: 0.35143432120628065
Energy: 0.3552835026521324
Energy: 0.3438902619148806
Energy: 0.35807727568783726
Energy: 0.3436245287443395
Energy: 0.33370361478247734
Energy: 0.33080465972811746
Energy: 0.34217918770403805
Energy: 0.3733913454367882
Energy: 0.32841175983462123
Energy: 0.3528777952030343
Energy: 0.3450073455319026
Energy: 0.34140009192575377
Energy: 0.3346808243272477
Energy: 0.3507821903443728
Energy: 0.33457925946912936
Energy: 0.3412714059425368
Energy: 0.32943998816303827
Energy: 0.33835476982589036
Energy: 0.3366897411745235
Energy: 0.3310015148335666
Energy: 0.3341712005065273
Energy: 0.3579327799326564
Energy: 0.3611127059312743
Energy: 0.334929695893805
Energy: 0.34480762761926975
Energy: 0.335243332339523
Energy: 0.3490798967403428
Energy: 0.33532961943215345
Energy: 0.3484816914694899
Energy: 0.3409619795461928
Energy: 0.33972690931720056
Energy: 0.33853031187881943
Energy: 0.33201317666626234
Energy: 0.35834080211919345
Energy: 0.35239419983053877
Energy: 0.36331727414512394
Energy: 0.3579298721628764
Energy: 0.3636520969864121
Energy: 0.3478668121794625
Energy: 0.3514800117001068
Energy: 0.34445491177178006

minimum gb energy = 0.3212238098947961 eV
minimum distance =  2.56841078182843 Angstroms
sigma value = 39


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

Energy: 0.31305650845233246
Energy: 0.37174717095330007
Energy: 0.45383927700441495
Energy: 0.39048920922051356
Energy: 0.3708517723596066
Energy: 0.36889540594647063
Energy: 0.3035131484770694
Energy: 0.33453712279659636
Energy: 0.3320179471287992
Energy: 0.3739966709734831
Energy: 0.37204594820205716
Energy: 0.34221235968840236
Energy: 0.33424915914333664
Energy: 0.34672816619600716
Energy: 0.3362141550443548
Energy: 0.33938714901447764
Energy: 0.35699466640739635
Energy: 0.3827886078307796
Energy: 0.33276696498373737
Energy: 0.33138085641116977
Energy: 0.33421179223263475
Energy: 0.3372533499586187
Energy: 0.33841505182399456
Energy: 0.3731012140151166
Energy: 0.34907442750314355
Energy: 0.36343337356443733
Energy: 0.3656476958696234
Energy: 0.3363516695523375
Energy: 0.3367733192119157
Energy: 0.3398871324510051
Energy: 0.35629477959742956
Energy: 0.35134958088095636
Energy: 0.35399221747368
Energy: 0.344333148889879
Energy: 0.3344746492239006
Energy: 0.30402348853792277
Energy: 0.3417686771506746
Energy: 0.3413331550023407
Energy: 0.34251198348142503
Energy: 0.33207405916568855
Energy: 0.33386096097916357
Energy: 0.33371238198357694
Energy: 0.3383506432838476
Energy: 0.3662675708400511
Energy: 0.34082564860034176
Energy: 0.35317760234410783
Energy: 0.30383793127619135
Energy: 0.3052238293285339
Energy: 0.3479810761627288
Energy: 0.30445794565756557
Energy: 0.33564119328465974
Energy: 0.3642701561876913
Energy: 0.33956219699130175
Energy: 0.3647670833067539
Energy: 0.3560832228457878
Energy: 0.33608295868509597
Energy: 0.30438864038212504
Energy: 0.3364359189607388
Energy: 0.37901316251558975
Energy: 0.3390805905934759
Energy: 0.34039890144692886
Energy: 0.35657980203309875
Energy: 0.33611044543955726
Energy: 0.33711570159884996
Energy: 0.3580879323037255
Energy: 0.3584771249994596
Energy: 0.3841758970502378
Energy: 0.3613349786910484
Energy: 0.33423844175935
Energy: 0.33376727415660024
Energy: 0.33615163176516505
Energy: 0.33954583892025614
Energy: 0.3672608166338831
Energy: 0.33745432425613886
Energy: 0.3408979254205578
Energy: 0.34239740468315283
Energy: 0.3717532879840889
Energy: 0.33590145898093976
Energy: 0.3422543361771569
Energy: 0.33576871288615523
Energy: 0.3614423696084337
Energy: 0.3699585438001795
Energy: 0.3420867952056717
Energy: 0.33623912098266184
Energy: 0.3090468921891428
Energy: 0.33990344629665636
Energy: 0.36351961365213675
Energy: 0.3450385208195435
Energy: 0.35366270506394276
Energy: 0.3648158689578676
Energy: 0.3346654552886886
Energy: 0.3762197617661207
Energy: 0.3360720348307821
Energy: 0.3489510330639658
Energy: 0.3559055002283784
Energy: 0.3036317552589924
Energy: 0.3051652487050063
Energy: 0.34808417794309177
Energy: 0.30386199569410155
Energy: 0.34295862541372085
Energy: 0.34799064820883724
Energy: 0.3589853135101948
Energy: 0.304249716953934
Energy: 0.3038003785836822
Energy: 0.34706839139087337
Energy: 0.31315023922073865
Energy: 0.362540804537689
Energy: 0.34895642179876096
Energy: 0.34373305602752124
Energy: 0.3888308730553809
Energy: 0.37490534676076853
Energy: 0.30401043619758117
Energy: 0.33446211666899334
Energy: 0.3318964626476014
Energy: 0.36692511440025904
Energy: 0.37159978151327583
Energy: 0.3417935924294495
Energy: 0.33412847519161376
Energy: 0.34672272210406424
Energy: 0.3392147868472064
Energy: 0.33859022730701316
Energy: 0.3563614576572375
Energy: 0.3827539677031748
Energy: 0.3326388487682039
Energy: 0.3311656661826191
Energy: 0.334360620165147
Energy: 0.3372373178573003
Energy: 0.3423933463633733
Energy: 0.3732335973111049
Energy: 0.34937936776057466
Energy: 0.3723991169064636
Energy: 0.3662315174080298
Energy: 0.3359248279532002
Energy: 0.33269786350958974
Energy: 0.33984625053800077
Energy: 0.35703132905372803
Energy: 0.341398300410958
Energy: 0.3540763974277007
Energy: 0.34458675658820864
Energy: 0.33528923776548536
Energy: 0.30381099264603206
Energy: 0.3418050971818909
Energy: 0.341179267528443
Energy: 0.3427959465521125
Energy: 0.33214439497780535
Energy: 0.30509163879364687
Energy: 0.3720886126904487
Energy: 0.35621350509633676
Energy: 0.3506066291803295
Energy: 0.34114186222434223
Energy: 0.3899884851027465
Energy: 0.3038862848146921
Energy: 0.30556871229052873
Energy: 0.34768877542447446
Energy: 0.3047799754178574
Energy: 0.3355700208988882
Energy: 0.3642733104314297
Energy: 0.33937156587578843
Energy: 0.36492788062573417
Energy: 0.3578737739025577
Energy: 0.3339283236931405
Energy: 0.30426743514087956
Energy: 0.336683204173391
Energy: 0.36027495111858115
Energy: 0.33860623588348504
Energy: 0.3404932335796916
Energy: 0.3514792975465122
Energy: 0.3760052155379074
Energy: 0.3371278973706527
Energy: 0.3581617583861349
Energy: 0.357905204004261
Energy: 0.38408475023658745
Energy: 0.3610632832612822
Energy: 0.3343312668195363
Energy: 0.33394761611779167
Energy: 0.33613126355587714
Energy: 0.33863051119574905
Energy: 0.364441575183697
Energy: 0.3363462687337445
Energy: 0.3406891818961857
Energy: 0.34302742725659524
Energy: 0.3712907020592086
Energy: 0.3362147433068707
Energy: 0.34218175672598955
Energy: 0.33629460986392345
Energy: 0.36117003769959344
Energy: 0.37010116496928286
Energy: 0.3422149505647121
Energy: 0.3361115138790639
Energy: 0.30425601924806817
Energy: 0.3393217314337484
Energy: 0.3639383803836153
Energy: 0.3452957060977896
Energy: 0.35366266179439654
Energy: 0.3551646803277557
Energy: 0.33428594763352903
Energy: 0.3749648995812802
Energy: 0.3362451743941153
Energy: 0.34953035903189417
Energy: 0.3765563563268468
Energy: 0.3037906706319172
Energy: 0.3053548396558354
Energy: 0.3483551570386024
Energy: 0.3038267455846364
Energy: 0.34281861186961543
Energy: 0.34793010844817274
Energy: 0.34278896672174825
Energy: 0.3043909078647752
Energy: 0.3040283343376623
Energy: 0.3472966448872526

minimum gb energy = 0.3035131484770694 eV
minimum distance =  2.65442268382894 Angstroms
sigma value = 21


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

Energy: 0.41233716470684517
Energy: 0.3821174164250713
Energy: 0.3903365688904445
Energy: 0.46199416062515797
Energy: 0.3187479264287868
Energy: 0.3196011050562653
Energy: 0.31292725746865213
Energy: 0.323989147762045
Energy: 0.37095684324809114
Energy: 0.3762402288907868
Energy: 0.38315939565103807
Energy: 0.3110602213415382
Energy: 0.36366613552161536
Energy: 0.3990807589564908
Energy: 0.31805077558658024
Energy: 0.34522103717980235
Energy: 0.3436345700599741
Energy: 0.34366782789436273
Energy: 0.31909649910020244
Energy: 0.32755624375682796
Energy: 0.347075914801237
Energy: 0.3702722040065119
Energy: 0.3660137112296072
Energy: 0.3426044807753268
Energy: 0.34474338995428844
Energy: 0.3341336785836376
Energy: 0.32284742477901157
Energy: 0.3413168514237678
Energy: 0.31867954276927585
Energy: 0.3144790756957583
Energy: 0.3385249014750183
Energy: 0.3321766576250344
Energy: 0.33130487233953937
Energy: 0.3363561275350341
Energy: 0.3341058302185215
Energy: 0.30607942642163743
Energy: 0.31679547221026344
Energy: 0.3437587815820919
Energy: 0.3246520543479281
Energy: 0.3373502754267691
Energy: 0.31791267499493875
Energy: 0.33298620122299616
Energy: 0.38582010612973483
Energy: 0.3241586886495289
Energy: 0.32281040448185094
Energy: 0.34176433770208164
Energy: 0.30624586208236154
Energy: 0.30704414973387933
Energy: 0.3325618059481197
Energy: 0.3209912171278707
Energy: 0.330358647515593
Energy: 0.34816872638624613
Energy: 0.37519174959472984
Energy: 0.3484992866771813
Energy: 0.3178877846012614
Energy: 0.3531984687392938
Energy: 0.3242472747143328
Energy: 0.3450047006553804
Energy: 0.3450971496824714
Energy: 0.35086808204836645
Energy: 0.36674287513591514
Energy: 0.32780464176803986
Energy: 0.3461174967363249
Energy: 0.32271877978719804
Energy: 0.32425192593150476
Energy: 0.3910354527639251
Energy: 0.3453691613315475
Energy: 0.3210085587974233
Energy: 0.3467600606949435
Energy: 0.36903036648544457
Energy: 0.3596313565046901
Energy: 0.32700351300665453
Energy: 0.33386731997714353
Energy: 0.3777102452302243
Energy: 0.30929533755809585
Energy: 0.30856568974918497
Energy: 0.387864517240895
Energy: 0.34652577953927866
Energy: 0.3476620133640255
Energy: 0.39492647551055593
Energy: 0.33813728688685596
Energy: 0.3064552835086781
Energy: 0.30628767445000976
Energy: 0.3845329368375626
Energy: 0.4042713278351996
Energy: 0.34718885681185063
Energy: 0.3480797241395194
Energy: 0.3821585734915066
Energy: 0.336737843592057
Energy: 0.3464129177074834
Energy: 0.30596553814082356
Energy: 0.3074176244401738
Energy: 0.3756788183166701
Energy: 0.33577651734614083
Energy: 0.3364857856581316
Energy: 0.3516542485106106
Energy: 0.34627492547144684
Energy: 0.34399458813797484
Energy: 0.3187498832772726
Energy: 0.32233985985871433
Energy: 0.3312211051435311
Energy: 0.34157663216957895
Energy: 0.3737439995831643
Energy: 0.369743926020403
Energy: 0.40807288223961374
Energy: 0.3488751722825341
Energy: 0.33469755728418804
Energy: 0.35236752931815696
Energy: 0.3527518696295109
Energy: 0.3412807422494021
Energy: 0.35815729212173725
Energy: 0.35851464723827214
Energy: 0.32146325066523473
Energy: 0.3386519463891257
Energy: 0.33666625502601616
Energy: 0.3521486284717796
Energy: 0.32380691153713553
Energy: 0.3241818493909776
Energy: 0.3342471386370915
Energy: 0.3067673434893134
Energy: 0.3396434016240046
Energy: 0.3687732637990732
Energy: 0.33887173137737164
Energy: 0.359671701118291
Energy: 0.36255274380354235
Energy: 0.32226766486998826
Energy: 0.3065574669023616
Energy: 0.3415597346206036
Energy: 0.3319442967946131
Energy: 0.3437148854095357
Energy: 0.3059769547568117
Energy: 0.30575551066227935
Energy: 0.34126194525856535
Energy: 0.3544023359258593
Energy: 0.3299294949281659
Energy: 0.33359417270971
Energy: 0.33645498574404903
Energy: 0.3298902550264886
Energy: 0.3180022951279255
Energy: 0.3461980987142941
Energy: 0.3186887100566956
Energy: 0.3426942109636432
Energy: 0.33544219312110685
Energy: 0.40401530490928267
Energy: 0.40763876894869866
Energy: 0.377514006760077
Energy: 0.3466411182847854
Energy: 0.3289671110561765
Energy: 0.3249143376658699
Energy: 0.3327602622503233
Energy: 0.35242573680066364
Energy: 0.3362400494276257
Energy: 0.32406293158104965
Energy: 0.3293109889154119
Energy: 0.3191133216514417
Energy: 0.338165056175562
Energy: 0.34152389229356794
Energy: 0.34780531435105166
Energy: 0.3370796653228002
Energy: 0.3410326628644997
Energy: 0.3208616695852663
Energy: 0.3182284278327643
Energy: 0.32523282515273944
Energy: 0.34083331743255046
Energy: 0.3546808786287081
Energy: 0.3408741754839895
Energy: 0.40626048535480813
Energy: 0.4082264637984867
Energy: 0.3056646538254184
Energy: 0.3723020770722537
Energy: 0.3678416176596714
Energy: 0.35345654938154775
Energy: 0.3339533176445509
Energy: 0.36363949753194413
Energy: 0.3211692936294209

minimum gb energy = 0.3056646538254184 eV
minimum distance =  2.54867571485109 Angstroms
sigma value = 113


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

Energy: 0.4199001295936415
Energy: 0.41938881625694824
Energy: 0.3635222077770285
Energy: 0.42954729540500786
Energy: 0.4184758342018952
Energy: 0.39330932840740185
Energy: 0.47082815872740774
Energy: 0.3890887292184535
Energy: 0.37526537890388817
Energy: 0.3984016403372568
Energy: 0.3728645557997381
Energy: 0.3647681101349702
Energy: 0.348284618952569
Energy: 0.4062064463677019
Energy: 0.4156534398937541
Energy: 0.39400922177849323
Energy: 0.3864619729186864
Energy: 0.35238905871091064
Energy: 0.36106184455042634
Energy: 0.3862764460316468
Energy: 0.3536977070350712
Energy: 0.3590588281617154
Energy: 0.4164022287548854
Energy: 0.34049721881713435
Energy: 0.4290330954670668
Energy: 0.4208889740780908
Energy: 0.4034565541916364
Energy: 0.4319829982349041
Energy: 0.3510836410901095
Energy: 0.3525526535461627
Energy: 0.4091933775023508
Energy: 0.3933897104282045
Energy: 0.383250513360581
Energy: 0.37532097155686933
Energy: 0.3682056476280088
Energy: 0.358104509492266
Energy: 0.3886590639958709
Energy: 0.37034656327415566
Energy: 0.4042138165904687
Energy: 0.37757877750579055
Energy: 0.3549250147753656
Energy: 0.3813543710093022
Energy: 0.3864366587291666
Energy: 0.3538627946687188
Energy: 0.3587718545071656
Energy: 0.3302895079804324
Energy: 0.3465277237570561
Energy: 0.39341494369417696
Energy: 0.34743297952183483
Energy: 0.3683231679895749
Energy: 0.38079291241896995
Energy: 0.37194281592693507
Energy: 0.365401408723893
Energy: 0.36099648869451
Energy: 0.3696236424857446
Energy: 0.3671808618290507
Energy: 0.32171835265610965
Energy: 0.3790559072911788
Energy: 0.38252685764393723
Energy: 0.37692712052835786
Energy: 0.3865004895587206
Energy: 0.385758796155599
Energy: 0.37883080775917627
Energy: 0.35638140843495647
Energy: 0.37003137002474107
Energy: 0.33817556170488955
Energy: 0.3450670381728565
Energy: 0.3286976631013653
Energy: 0.3476319576014833
Energy: 0.349630002216567
Energy: 0.3598074203172444
Energy: 0.3502404565461135
Energy: 0.39536974436516004
Energy: 0.3620004340566735
Energy: 0.33521318438604975
Energy: 0.3406621372589935
Energy: 0.4015307740177955
Energy: 0.3364460277685288
Energy: 0.35065041551825954
Energy: 0.38469796931690214
Energy: 0.3936276666013795
Energy: 0.391899014671466
Energy: 0.4042070727184226
Energy: 0.3681566394580231
Energy: 0.3650015683797783
Energy: 0.360932625989969
Energy: 0.3772726863250537
Energy: 0.41381777562300903
Energy: 0.3863124440017999
Energy: 0.34678357852196035
Energy: 0.3705686649654402
Energy: 0.3965213996293653
Energy: 0.36097281455391117
Energy: 0.3856953979230813
Energy: 0.367944568981119
Energy: 0.3628294833371199
Energy: 0.32210610447561494
Energy: 0.33585385451973687
Energy: 0.33960894060888724
Energy: 0.3706408222461694
Energy: 0.3635072049620747
Energy: 0.37658405416599533
Energy: 0.36205222985887686
Energy: 0.387193816769037
Energy: 0.40345122527816063
Energy: 0.36097916630822297
Energy: 0.39087177811787516
Energy: 0.37412362808152694
Energy: 0.3526063849167885
Energy: 0.3880498875906349
Energy: 0.36837603264100616
Energy: 0.3870605804773008
Energy: 0.37856855631706743
Energy: 0.4001197848118443
Energy: 0.34325387532786583
Energy: 0.36096225870853066
Energy: 0.4145858952717649
Energy: 0.41318100251075673
Energy: 0.40827923146705786
Energy: 0.36925083803632286
Energy: 0.4039010461664414
Energy: 0.39516159647700744
Energy: 0.40770389725562634
Energy: 0.4119017344259896
Energy: 0.3571425615921749
Energy: 0.429894331349208
Energy: 0.32536462166525776
Energy: 0.3669910908910809
Energy: 0.4115222297779622
Energy: 0.37156791829678026
Energy: 0.3796104277557311
Energy: 0.3569824314404613
Energy: 0.38103677701872907
Energy: 0.3800949557395033
Energy: 0.39516894490047305
Energy: 0.33898161551492717
Energy: 0.4160524206258194
Energy: 0.41819340187390086
Energy: 0.4102379078389689
Energy: 0.397817331978935
Energy: 0.3562380918814867
Energy: 0.4073874007863075
Energy: 0.40866650941687926
Energy: 0.3759344084431314
Energy: 0.4015771199240273
Energy: 0.36723490961259847
Energy: 0.34088376140420756
Energy: 0.4071648950890347
Energy: 0.4065149024241543
Energy: 0.38912019407377924
Energy: 0.3780271550169034
Energy: 0.39633508765505276
Energy: 0.36701188709093013
Energy: 0.3377575186056688
Energy: 0.4194640549286296
Energy: 0.4088486649193979
Energy: 0.3807636253934368
Energy: 0.4116073820128749
Energy: 0.38213976096564584
Energy: 0.39209685239494435
Energy: 0.4011557227165676
Energy: 0.4192928399705648
Energy: 0.37549465528496134
Energy: 0.3463306670600492
Energy: 0.36281925129908466
Energy: 0.3415702410332924
Energy: 0.3461450642781493
Energy: 0.4221921475209016
Energy: 0.3672091072164763
Energy: 0.40055648448913106
Energy: 0.38678320603215616
Energy: 0.3505236023115194
Energy: 0.34119025414677195
Energy: 0.3860399677660553
Energy: 0.4344192061750641
Energy: 0.3612126576323381
Energy: 0.39875159494523277
Energy: 0.3581928591184649
Energy: 0.42938602062788733
Energy: 0.42076924355847095
Energy: 0.42038862768328855
Energy: 0.4068183100814107
Energy: 0.38060568924795085
Energy: 0.3896098556166108
Energy: 0.35824313720640405
Energy: 0.3875163016926186
Energy: 0.3559907979212076
Energy: 0.3870313611361072
Energy: 0.3898940521297642
Energy: 0.3583018777514838
Energy: 0.3989607389830057
Energy: 0.3706265013298579
Energy: 0.40500288349752905
Energy: 0.3603173601309003
Energy: 0.36279107363221597
Energy: 0.3809928209256726
Energy: 0.3893154222932286
Energy: 0.35870071617256016
Energy: 0.3561186977410453
Energy: 0.35921594433551135
Energy: 0.3369089499328892
Energy: 0.3718182061348092
Energy: 0.4004328869947371
Energy: 0.3498496627996185
Energy: 0.3786422469732344
Energy: 0.37896371113128086
Energy: 0.3876745447412314
Energy: 0.3978395633364698
Energy: 0.3684712191138448
Energy: 0.3679692664322186
Energy: 0.3248929935199333
Energy: 0.36322710950077924
Energy: 0.3813823487229398
Energy: 0.38806878775316545
Energy: 0.4006268116380984
Energy: 0.3848643811960217
Energy: 0.3707535367910834
Energy: 0.339716369300346
Energy: 0.3697159084773463
Energy: 0.3911434647213009
Energy: 0.34471103320680035
Energy: 0.3449918044947592
Energy: 0.33810891263996357
Energy: 0.3799060849554294
Energy: 0.3572681936163137
Energy: 0.35135983689320727
Energy: 0.39451442443803014
Energy: 0.35255439259787025
Energy: 0.36749599526086013
Energy: 0.33362308092372983
Energy: 0.4083906779504363
Energy: 0.3155225647546834
Energy: 0.34603268239321644
Energy: 0.39849212870650363
Energy: 0.3979771369103623
Energy: 0.4058283626181697
Energy: 0.40429301798632433
Energy: 0.37425369770831657
Energy: 0.36574790339117885
Energy: 0.36162168373577647
Energy: 0.37451931887582013
Energy: 0.389305782214442
Energy: 0.35893657723192407
Energy: 0.38299096457604564
Energy: 0.3750579881259375
Energy: 0.39751929821107324
Energy: 0.3605946733626787
Energy: 0.3690050110123226
Energy: 0.36440149956529877
Energy: 0.3383233553454957
Energy: 0.37887433453031344
Energy: 0.3346811935745475
Energy: 0.34033550942706403
Energy: 0.37226434096514793
Energy: 0.3640249357215056
Energy: 0.3760564360840605
Energy: 0.3809948152319121
Energy: 0.36769326252561546
Energy: 0.35941351402720706
Energy: 0.3608229139257733
Energy: 0.38636743619782643
Energy: 0.3753841599810887
Energy: 0.3418478194054085
Energy: 0.38440273457695595
Energy: 0.37783921093683254
Energy: 0.4071372636442352
Energy: 0.37163115138280245
Energy: 0.4016835146987328
Energy: 0.3863132528574085
Energy: 0.3826423951562063
Energy: 0.41275350292790136
Energy: 0.3887256623835699
Energy: 0.4085221542498225
Energy: 0.37047208096549084
Energy: 0.39166507042550647
Energy: 0.3957558498286778
Energy: 0.4073570545051987
Energy: 0.4130932783007955
Energy: 0.3400461772471405
Energy: 0.4030359040018554
Energy: 0.36221600046860747
Energy: 0.3452953727164585
Energy: 0.3584257403396901
Energy: 0.37906245133889044
Energy: 0.37521339724164804
Energy: 0.37304201159103223
Energy: 0.38518728015752013
Energy: 0.38132465159108225
Energy: 0.39495004715632676
Energy: 0.42043450296820817
Energy: 0.4075714551410691
Energy: 0.41766937695884654
Energy: 0.41247139159989643
Energy: 0.40031186641989647
Energy: 0.3675015232642011
Energy: 0.35773356084732477
Energy: 0.4079387970504834
Energy: 0.4169874464432342
Energy: 0.3521826296453548
Energy: 0.3210535728855882
Energy: 0.35827735386755416
Energy: 0.37038543160035486
Energy: 0.4045312676540792
Energy: 0.3883250280874276
Energy: 0.35367733177477384
Energy: 0.4016364201602712
Energy: 0.35674949151452534
Energy: 0.34085730548592647
Energy: 0.41800437179712385
Energy: 0.40949393605372264
Energy: 0.372900870268249
Energy: 0.42091887677623235
Energy: 0.42523284529876915
Energy: 0.39311567033129563
Energy: 0.40120501504801354

minimum gb energy = 0.3155225647546834 eV
minimum distance =  2.50028989600928 Angstroms
sigma value = 365


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

Energy: 0.39004205923802493
Energy: 0.4975222648132063
Energy: 0.38396232846790707
Energy: 0.3849183930642464
Energy: 0.38388471712804856
Energy: 0.3829055557958912
Energy: 0.39746326721256475
Energy: 0.37191718264282575
Energy: 0.48227482227913493
Energy: 0.36935214672226163
Energy: 0.3678324638703446
Energy: 0.3716900939088013
Energy: 0.37073202488981993
Energy: 0.4819619105773426
Energy: 0.37020674796006714
Energy: 0.5061101142384752
Energy: 0.37035385360041406
Energy: 0.37063563873273225
Energy: 0.3709610172980598
Energy: 0.37086279068902617
Energy: 0.389362147706829
Energy: 0.37087885792283826
Energy: 0.5063477484810305
Energy: 0.36997831447672397
Energy: 0.37334062744222196
Energy: 0.37240662159499643
Energy: 0.3709692783390429
Energy: 0.39609381264122473
Energy: 0.366027945347304
Energy: 0.48194500687270664
Energy: 0.36313147821296643
Energy: 0.48340367847723764
Energy: 0.3681475294138591
Energy: 0.363313986314118
Energy: 0.48237496396587803
Energy: 0.37373321401609455
Energy: 0.5026484268118853
Energy: 0.3644527422793703
Energy: 0.36540380122097327
Energy: 0.368061502684525
Energy: 0.3653172837869162
Energy: 0.39802122251987393
Energy: 0.3717045868095196
Energy: 0.4851216945839076
Energy: 0.37230989730096353
Energy: 0.3708631686737656
Energy: 0.3709784395474341
Energy: 0.3696357228623335
Energy: 0.48221315798964404
Energy: 0.37045935146129566
Energy: 0.507332719967618
Energy: 0.3711787348366262
Energy: 0.37066178321245097
Energy: 0.3706480852375362
Energy: 0.3719933365410197
Energy: 0.485868451698303
Energy: 0.3725179649304299
Energy: 0.5065679639434892
Energy: 0.37094524575946847
Energy: 0.3643955705754464
Energy: 0.3651835661974786
Energy: 0.3715634349603524
Energy: 0.3982968765236102
Energy: 0.3657253229642342
Energy: 0.4824247502084713
Energy: 0.3631352291119365
Energy: 0.4848504509769032
Energy: 0.4839177181077835
Energy: 0.3637565184913489
Energy: 0.4821671082842826
Energy: 0.3714856771561768
Energy: 0.5059667717846034
Energy: 0.37019432534653024
Energy: 0.3644997208375621
Energy: 0.3648690132937823
Energy: 0.3708182863020928
Energy: 0.39881154920359685
Energy: 0.3707825848080157
Energy: 0.5062340499934705
Energy: 0.3705615566071622
Energy: 0.3706699367696245
Energy: 0.37075321794275967
Energy: 0.37116519223465333
Energy: 0.4775126329640855
Energy: 0.3713272412556662
Energy: 0.48196091782137895
Energy: 0.37100239211887437
Energy: 0.3713222124946387
Energy: 0.3708215465055264
Energy: 0.3696785865077801
Energy: 0.48237225372579656
Energy: 0.38225639438088277
Energy: 0.5198889797930765
Energy: 0.36426125264614034
Energy: 0.3646274143207108
Energy: 0.3658090949251097
Energy: 0.3650060912060368
Energy: 0.3977830880475949
Energy: 0.3662001386344645
Energy: 0.482377116551241
Energy: 0.3634141045170394
Energy: 0.3683929787008393
Energy: 0.371523332101857
Energy: 0.37062037593360275
Energy: 0.482355935295448
Energy: 0.37035008243714107
Energy: 0.5060546425462089
Energy: 0.36990483882963204
Energy: 0.37170935304816866
Energy: 0.37151591928916783
Energy: 0.37064399943210574
Energy: 0.39597475860281195
Energy: 0.37080237766301843
Energy: 0.5064007959837505
Energy: 0.37015219588454273
Energy: 0.3713847528426507
Energy: 0.37102419082268223
Energy: 0.3709197653472162
Energy: 0.3956261349519206
Energy: 0.36638730720032275
Energy: 0.48212398522660377
Energy: 0.3704504525381648
Energy: 0.3721488264422663
Energy: 0.36926855337710585
Energy: 0.370921457181206
Energy: 0.4822836169402258
Energy: 0.38720661476378015
Energy: 0.49501660296852934
Energy: 0.36421034200707075
Energy: 0.38413290379638637
Energy: 0.3822488315143121
Energy: 0.364943177956929
Energy: 0.3977403444670336
Energy: 0.37168894198200253
Energy: 0.4821728415660592
Energy: 0.3696369390295437
Energy: 0.3694958465685046
Energy: 0.3712984940122166
Energy: 0.37054422552311184
Energy: 0.4824508733919786

minimum gb energy = 0.36313147821296643 eV
minimum distance =  2.51630326925624 Angstroms
sigma value = 23