Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
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=2.8553245961666107
cohesive_energy=4.122759350632683
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.460228174882739e-19, -1.493475358089636e-18, -2.3894061231159e-18, -4.01869158576318e-18, -7.22025706642002e-18, -1.3768641361372139e-17, -2.8149442371062997e-17]
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: 0.015608307236269296
Energy: 1.4104003497037205
Energy: 1.583291001076715
Energy: 0.016201807283292135
Energy: 0.016398653548764002
Energy: 1.5820299066759895
Energy: 0.015804408188987196
Energy: 0.1680195010001087
Energy: 0.20609771668989837
Energy: 0.3754430529888507
Energy: 0.16798817274680847
Energy: 0.37508875967358496
Energy: 0.3756447781740146
Energy: 0.16818871834632598
Energy: 0.1681283111166248
Energy: 0.3749527746186783
Energy: 0.3757784288411659
Energy: 0.16785237529369607
Energy: 0.37509039004905503
Energy: 0.20506998328039575
Energy: 0.16779091791902384
Energy: 0.16929885080818993
Energy: 0.3756526990607258
Energy: 0.20566078970700974
Energy: 0.1680459067872867
Energy: 0.16907229291864007
Energy: 0.2053641377234318
Energy: 0.16742564145045544
Energy: 0.16753252544067795
Energy: 0.2051997734856556
Energy: 0.3770344084842435
Energy: 0.1687088700444489
Energy: 0.37504301361673825
Energy: 0.20471950071351164
Energy: 0.16827222659451535
Energy: 0.015955412740441613
Energy: 0.20472235689022686
Energy: 0.3754591800971188
Energy: 0.01638339303236849
Energy: 0.016615444474964724
Energy: 0.3756371856716074
Energy: 0.16736146481336062

minimum gb energy = 0.015608307236269296 eV
minimum distance =  2.4404496162128 Angstroms
sigma value = 5


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

Energy: 2.36109484407601
Energy: 1.7076620393708046
Energy: 1.3405101174400715
Energy: 1.2433783582419484
Energy: 1.2413443408524163
Energy: 1.3084399685224006
Energy: 1.6133331953988794
Energy: 1.2839488001259765
Energy: 1.3344253394157124
Energy: 1.300870816287724
Energy: 1.2858778266187187
Energy: 1.32283374317678
Energy: 1.3575463570648754
Energy: 1.3307359612118481
Energy: 1.2527364433652448
Energy: 1.287558220197975
Energy: 1.3112373752601076
Energy: 1.2786907414502273
Energy: 1.2794344278516665
Energy: 1.3233294038206638
Energy: 1.2807096309739723
Energy: 1.2646728725453489
Energy: 1.298286647256614
Energy: 1.3460411925421445
Energy: 1.3040648566008974
Energy: 1.2605723291409971
Energy: 1.3677808710052255
Energy: 1.309287972719346
Energy: 1.305095063915791
Energy: 1.2641728809830135
Energy: 1.2993402995521925
Energy: 1.2792534667194593
Energy: 1.2467465921844572
Energy: 1.3085132836337783
Energy: 1.2740732962227856
Energy: 1.255707883198227
Energy: 1.2982754604514288
Energy: 1.264411997466855
Energy: 1.258239272487248
Energy: 1.2677404586669767
Energy: 1.2628968048629137
Energy: 1.266503306149537
Energy: 1.2599242230895673
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Energy: 1.2639587752776313
Energy: 1.2723574705870877
Energy: 1.2882335887037055
Energy: 1.2562211862332926
Energy: 1.275870508824555
Energy: 1.2964175043314237
Energy: 1.2601772780302471
Energy: 1.2733224263651117
Energy: 1.2743626440091151
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Energy: 1.2560693515841255
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Energy: 1.237209991671618
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Energy: 1.260282036107458
Energy: 1.2194094174524996
Energy: 1.3616534178303765
Energy: 1.3037328566344135
Energy: 1.2860930454440278
Energy: 1.3343114511058247
Energy: 1.2898670584410377
Energy: 1.2810982630088645
Energy: 1.3175689810571563
Energy: 1.4230180055759558
Energy: 1.3001179145041242
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Energy: 1.2286406619031836
Energy: 1.1981004521525382
Energy: 1.2078780399109326
Energy: 1.3074659054364393
Energy: 1.2752079996425927
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Energy: 1.3114398353424623
Energy: 1.225966580287163
Energy: 1.3025324369711937
Energy: 1.2768753312270813
Energy: 1.3586882995113119
Energy: 1.3774416016304476
Energy: 1.2661465027724952
Energy: 1.2624699702507498
Energy: 1.3426362806850791
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Energy: 1.4651576768111556
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Energy: 1.2646575047725759
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Energy: 1.3249955091234298
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Energy: 1.3443379138797051
Energy: 1.2795172841634919
Energy: 1.3012325035901402
Energy: 1.3595409799450378
Energy: 1.3274562038840094
Energy: 1.288541107974492
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Energy: 1.3446154310173843
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Energy: 1.304096304510515
Energy: 1.2575272688526813
Energy: 1.305598664455602
Energy: 1.3114740850055133
Energy: 1.2844685354852061
Energy: 1.2392715337945341
Energy: 1.3279731933065018
Energy: 1.2632334796915476
Energy: 1.3031094027734589
Energy: 1.2865597654856429
Energy: 1.3084827179928318
Energy: 1.265359346440537
Energy: 1.2067634598948205
Energy: 1.229232184368167
Energy: 1.2480067200920248
Energy: 1.2542935176994803
Energy: 1.2262040549532869
Energy: 1.2466103710532053
Energy: 1.2433768945775037
Energy: 1.2247013544539878
Energy: 1.2280098596409126
Energy: 1.2349625917167883
Energy: 1.2354543061582093
Energy: 1.235294529604722
Energy: 1.2304614321226484
Energy: 1.247467869697967
Energy: 1.352769157322871
Energy: 1.2704839932198435
Energy: 1.3011154307664934
Energy: 1.3168220622982152
Energy: 1.2867713012055049
Energy: 1.2722930200191365
Energy: 1.3091505738795277
Energy: 1.239247434420616
Energy: 1.2652435217740492
Energy: 1.291090684488493
Energy: 1.242884254367164
Energy: 1.2622334253633323
Energy: 1.2922194683902182
Energy: 1.2475247802025915
Energy: 1.241562786730636
Energy: 1.2633678793546064
Energy: 1.2786548126700457
Energy: 1.2740959790137394
Energy: 1.3000966280302653
Energy: 1.276147730328586
Energy: 1.2790653334943045
Energy: 1.2962125727228035
Energy: 1.267052277990495
Energy: 1.380650669592698
Energy: 1.2782884020368444
Energy: 1.3188423724891027
Energy: 1.3287937248523793
Energy: 1.2762405466546445
Energy: 1.2686304145001945
Energy: 1.334635645766338
Energy: 1.2614221356169801
Energy: 1.2495330036608303
Energy: 1.2492144082900059
Energy: 1.2929289690139518
Energy: 1.2956568712318308

minimum gb energy = 1.1743390005432583 eV
minimum distance =  2.23881680590927 Angstroms
sigma value = 401


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

Energy: 1.988305352743318
Energy: 1.7136818813460495
Energy: 1.6698233460895837
Energy: 1.619210308377957
Energy: 1.6140539486746293
Energy: 1.445929304167426
Energy: 1.6635558623680484
Energy: 1.2956637373305702
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Energy: 1.3113539809106345
Energy: 1.2858480812926298
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Energy: 1.2951881043384672
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Energy: 1.3774819382214316
Energy: 1.3492602373643836
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Energy: 1.379931404065803
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Energy: 1.177654152400529
Energy: 1.1674324065624289
Energy: 1.2381423775884617
Energy: 1.2458966970659884
Energy: 1.2023513449465106
Energy: 1.2216181848673293
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Energy: 1.1913626427971753
Energy: 1.1817788785606023
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Energy: 1.2371407850235419
Energy: 1.1814011934960869
Energy: 1.1813730348512779
Energy: 1.177935499771333
Energy: 1.3821668790807145
Energy: 1.4090423766618705
Energy: 1.3043182654173824
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Energy: 1.1978696046503428
Energy: 1.191833099769999
Energy: 1.2020932310289736
Energy: 1.2149668723205367
Energy: 1.207853349486735
Energy: 1.2937556687224179
Energy: 1.3370730629204937
Energy: 1.2109959647591815
Energy: 1.3892775883930528
Energy: 1.289631019272196
Energy: 1.312185557697751
Energy: 1.364086307458042
Energy: 1.3391274286719068
Energy: 1.3549110501311432
Energy: 1.311666154969441
Energy: 1.3588191588702296
Energy: 1.3245978173707138
Energy: 1.2957776452852359
Energy: 1.3863949094149373
Energy: 1.3753445101401838
Energy: 1.304310950166401
Energy: 1.3714498866793061
Energy: 1.3730520875053702
Energy: 1.3323057253726633
Energy: 1.326963600829509
Energy: 1.3523729003105467
Energy: 1.400859207952317
Energy: 1.3050244935979596
Energy: 1.3252193155757428
Energy: 1.3218528119461725
Energy: 1.320181327992169
Energy: 1.2950376774886199
Energy: 1.3137499715517922
Energy: 1.3516926962758788
Energy: 1.2507121638812386
Energy: 1.2907558664925223
Energy: 1.430654934000775
Energy: 1.8602358021383505
Energy: 1.6536676586209331
Energy: 1.4180228576493121
Energy: 1.4936592773440385
Energy: 1.6524384729549255
Energy: 1.4537188452696295
Energy: 1.3321574133472365
Energy: 1.314168282239144
Energy: 1.2850145552771912
Energy: 1.3347213639769513
Energy: 1.3315551673069337
Energy: 1.3262545551417262
Energy: 1.3917339547575753
Energy: 1.4498348761602804
Energy: 1.4105745600989317
Energy: 1.3025833154255606
Energy: 1.32861950960447
Energy: 1.4231721956927952
Energy: 1.3859896738775894
Energy: 1.3452353225390683
Energy: 1.4755893493349168
Energy: 1.4076453526945205
Energy: 1.496387843658594
Energy: 1.4071390284818852
Energy: 1.4148970945212376
Energy: 1.496459425374558
Energy: 1.3615900760339008
Energy: 1.5030315142347594
Energy: 1.4101483986108352
Energy: 1.3256268264491322
Energy: 1.3648079726684923
Energy: 1.4752831190516624
Energy: 1.3014126021292827
Energy: 1.3275591330471217
Energy: 1.3139467548206505
Energy: 1.286212691346222
Energy: 1.2967448764850171
Energy: 1.3411202319078148
Energy: 1.3137569079091167
Energy: 1.3200723030726642
Energy: 1.335670924738163
Energy: 1.3113114837816988
Energy: 1.3014008450099948
Energy: 1.292375877979639
Energy: 1.3181680530722935
Energy: 1.3006195979449318
Energy: 1.2921695305125271
Energy: 1.2846638332409586
Energy: 1.3277560687404104
Energy: 1.312236859787369
Energy: 1.292384096125608
Energy: 1.3230088805137459
Energy: 1.2918000548003044
Energy: 1.2912836633218823
Energy: 1.321294794361273
Energy: 1.3124392360331518
Energy: 1.3118105832290068
Energy: 1.3433207391884028
Energy: 1.3071338327634838
Energy: 1.3137337724335152
Energy: 1.322908224174855
Energy: 1.3224715698628662
Energy: 1.2737076694897969
Energy: 1.2510205186991388
Energy: 1.348057357716086
Energy: 1.2758710031916198
Energy: 1.2860450344214402
Energy: 1.3663906522446323
Energy: 1.3227156304864933
Energy: 1.3022522709376634
Energy: 1.2990974080865554
Energy: 1.3480500547099539
Energy: 1.2925369914250004
Energy: 1.3249208726266901
Energy: 1.3326991190215582
Energy: 1.3048710115789186
Energy: 1.22782372494363
Energy: 1.281833047149071
Energy: 1.3822021936507916
Energy: 1.2340835026550265
Energy: 1.2404599050103706
Energy: 1.3439869548829444
Energy: 1.2889204894430135

minimum gb energy = 1.1615364032399174 eV
minimum distance =  2.25706975316236 Angstroms
sigma value = 311


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

Energy: 1.3631443605913773
Energy: 1.5728175702455285
Energy: 1.5529778192279022
Energy: 1.3834536466193186
Energy: 1.4036010622035793
Energy: 1.429538771624242
Energy: 1.3668551297872678
Energy: 1.2929921870704397
Energy: 1.345575247213355
Energy: 1.2631130069233178
Energy: 1.2236546789290994
Energy: 1.3029428058050545
Energy: 1.292575095927103
Energy: 1.3030583206397048
Energy: 1.3988315042630761
Energy: 1.3005961922721665
Energy: 1.2503306288562797
Energy: 1.2238592188680621
Energy: 1.2353829298086039
Energy: 1.2806663055485177
Energy: 1.2498076507948206
Energy: 1.359845979845087
Energy: 1.3346862342545902
Energy: 1.307110161895756
Energy: 1.1932402741063264
Energy: 1.2141154029064296
Energy: 1.2175787691544333
Energy: 1.3263371012895993
Energy: 1.2613499987866625
Energy: 1.3248573625205955
Energy: 1.312236336686452
Energy: 1.351107099747354
Energy: 1.2910679370305338
Energy: 1.2985113551335865
Energy: 1.2547240476816577
Energy: 1.3578783044348612
Energy: 1.3964681927904743
Energy: 1.4558876934809926
Energy: 1.4252972458918003
Energy: 1.3943471070313722
Energy: 1.4104923286475193
Energy: 1.4173479637242163
Energy: 1.377464797514117
Energy: 1.3935588924048388
Energy: 1.4349347997542286
Energy: 1.4139333528400602
Energy: 1.3726117054178173
Energy: 1.4201852322786537
Energy: 1.4047627461010925
Energy: 1.304699684677673
Energy: 1.2833250133687724
Energy: 1.4044281303215382
Energy: 1.3878243614344716
Energy: 1.3541203013187944
Energy: 1.4056568158584748
Energy: 1.3889137015665733
Energy: 1.3744978887907475
Energy: 1.2940449476632474
Energy: 1.3678103517295996
Energy: 1.3472004442904664
Energy: 1.3229630940875419
Energy: 1.2943909240535805
Energy: 1.4465900925992887
Energy: 1.378557053139131
Energy: 1.3765511494580098
Energy: 1.4395906783283838
Energy: 1.4129235859345193
Energy: 1.3801060254003563
Energy: 1.3729147603818626
Energy: 1.4134948957737454
Energy: 1.3501530795793035
Energy: 1.2851381246590843
Energy: 1.3607135534309316
Energy: 1.3362227498165833
Energy: 1.3095798689193134
Energy: 1.33555921499344
Energy: 1.3098683599156042
Energy: 1.3965502481374712
Energy: 1.3657299810513293
Energy: 1.406762383995045
Energy: 1.4015673344327213
Energy: 1.301136116778792
Energy: 1.387251653947704
Energy: 1.3595040073066094
Energy: 1.3769638548432293
Energy: 1.410102648296298
Energy: 1.4004334600032902
Energy: 1.392256082746228
Energy: 1.3967428442646856
Energy: 1.392992030783212
Energy: 1.3913632384597374
Energy: 1.3278739349273683
Energy: 1.309682964519187
Energy: 1.2842494264999775
Energy: 1.3037765134104007
Energy: 1.3379240859954369
Energy: 1.2800143236252506
Energy: 1.2829931758905255
Energy: 1.34608237427916
Energy: 1.3526934679515494
Energy: 1.3202420302965927
Energy: 1.3093938116101955
Energy: 1.3845596508656108
Energy: 1.3053679198647863
Energy: 1.3174345688153388
Energy: 1.3450882886635906
Energy: 1.368937886841092
Energy: 1.3588638285239243
Energy: 1.3359542232140909
Energy: 1.3721488296220268
Energy: 1.3048069492622771
Energy: 1.3093983885722267
Energy: 1.3386339734295472
Energy: 1.3704952420141867
Energy: 1.3082857948177642
Energy: 1.3055760020997638
Energy: 1.3798168288298476
Energy: 1.3148928208042192
Energy: 1.2987356274406898
Energy: 1.4058473091087549
Energy: 1.4443687596353298
Energy: 1.3879504857042664
Energy: 1.4067196587121231
Energy: 1.4452786162119455
Energy: 1.384305807929297
Energy: 1.4130369483813137
Energy: 1.4209663989629147
Energy: 1.4099947149773904
Energy: 1.3827801608113746
Energy: 1.3933715438727299
Energy: 1.4272907239107315
Energy: 1.378064538702456
Energy: 1.3967782385443122
Energy: 1.3433432585627942
Energy: 1.316874085775096
Energy: 1.2979180914691686
Energy: 1.3173958870470774
Energy: 1.264634175723892
Energy: 1.2285762485803364
Energy: 1.299804313742521
Energy: 1.3931819565701775
Energy: 1.3984685689615661
Energy: 1.396620441683465
Energy: 1.3212883841277487
Energy: 1.4016292826736128
Energy: 1.3939285119086562
Energy: 1.2562406428761743
Energy: 1.4420201626381977
Energy: 1.289465202443169
Energy: 1.269380411168313
Energy: 1.2469997968043711
Energy: 1.286621818870446
Energy: 1.3668006759720934
Energy: 1.467865851632766
Energy: 1.4093236074997293
Energy: 1.3095565404922438
Energy: 1.3318464488685156
Energy: 1.3361838917231696
Energy: 1.3627986664085785
Energy: 1.3283567989566094
Energy: 1.3388986611009657
Energy: 1.467281423600889
Energy: 1.4311128346916961
Energy: 1.3499886898070212
Energy: 1.3392031057605494
Energy: 1.3904776605290796
Energy: 1.3804567771790577
Energy: 1.3388969344220316
Energy: 1.4196965216336896
Energy: 1.4343482657560722
Energy: 1.3740411287394345
Energy: 1.3474157815959082
Energy: 1.3933506935045818
Energy: 1.3879561546253234
Energy: 1.3478405489184544
Energy: 1.3494688503655758
Energy: 1.2603676347398112
Energy: 1.232787597773142
Energy: 1.2538076131769116
Energy: 1.2342892163772685
Energy: 1.2586035386320638
Energy: 1.265902591149031
Energy: 1.3564069656595419
Energy: 1.2465050912221969
Energy: 1.2685437669758575
Energy: 1.2618530443704137
Energy: 1.2530899774632973
Energy: 1.3820353510474435
Energy: 1.4330150419684382
Energy: 1.282017427992596
Energy: 1.321139374047909
Energy: 1.4044949178478243
Energy: 1.2001514324730942
Energy: 1.1869689996815591
Energy: 1.3813476041756063
Energy: 1.2455094345171136
Energy: 1.3450994048060108
Energy: 1.249697554837601
Energy: 1.3426136000687983
Energy: 1.2577451864392322
Energy: 1.3197706800508557
Energy: 1.3090220379735418
Energy: 1.3441437164689858
Energy: 1.3912446987472715
Energy: 1.4294185544884974
Energy: 1.438637193605439
Energy: 1.4113072476346342
Energy: 1.3985799615803118
Energy: 1.3858857616343265
Energy: 1.3981654173308862
Energy: 1.4011707344674451
Energy: 1.3856842176157185
Energy: 1.4039559967821182
Energy: 1.4032075511337827
Energy: 1.394235788461671
Energy: 1.3734806828569117
Energy: 1.3647366278524249
Energy: 1.2908375768091676
Energy: 1.3355962568715796
Energy: 1.2642952943243724
Energy: 1.3123672987268953
Energy: 1.2929030553023755
Energy: 1.283802155155494
Energy: 1.2739128919156801
Energy: 1.3349267137401124
Energy: 1.4647060523009272
Energy: 1.371035068241285
Energy: 1.4601303851437184
Energy: 1.464106155194438
Energy: 1.2476985201504194
Energy: 1.3592104987571563
Energy: 1.4291836311125825
Energy: 1.3353436643917203
Energy: 1.2528956027499794
Energy: 1.2247551907364906
Energy: 1.268825553066328
Energy: 1.2522650529622872
Energy: 1.3065189531639754
Energy: 1.3008735718931492
Energy: 1.414152910651128
Energy: 1.304008337941857
Energy: 1.3396155785458708
Energy: 1.3359792599590536
Energy: 1.306824167602064
Energy: 1.308092309645696
Energy: 1.427453440774326
Energy: 1.4578675806366208
Energy: 1.4329590228387858
Energy: 1.3625340048527435
Energy: 1.3854889076284356
Energy: 1.3352725160617132
Energy: 1.3782461104475283

minimum gb energy = 1.1869689996815591 eV
minimum distance =  2.23359023316528 Angstroms
sigma value = 39


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

Energy: 1.4330283038277092
Energy: 1.2908620610575923
Energy: 1.5358025554942303
Energy: 1.4367729755741145
Energy: 1.4376582785653047
Energy: 1.3179220170368964
Energy: 1.4356677153521804
Energy: 1.2698512952910797
Energy: 1.1889327897466129
Energy: 1.3383964491325544
Energy: 1.252777345527033
Energy: 1.188668815197356
Energy: 1.1837059082406685
Energy: 1.2531461314502066
Energy: 1.252634662843291
Energy: 1.1519956511583938
Energy: 1.196196662012215
Energy: 1.2666959332785555
Energy: 1.1845241572782244
Energy: 1.1799265214098185
Energy: 1.2670032329750873
Energy: 1.2723074947348
Energy: 1.1747088858959143
Energy: 1.2792989456684414
Energy: 1.2516511703609887
Energy: 1.2375433720409557
Energy: 1.1349179947534733
Energy: 1.3478946246715922
Energy: 1.3667062101733325
Energy: 1.1510515668415027
Energy: 1.1985040039882358
Energy: 1.2667735642639255
Energy: 1.202731892202904
Energy: 1.1885480103345327
Energy: 1.1957826094800739
Energy: 1.1972226610968675
Energy: 1.1939317486198227
Energy: 1.1711754276662683
Energy: 1.2180372335730816
Energy: 1.195722141121362
Energy: 1.1708904218096754
Energy: 1.2199388811731586
Energy: 1.1838077259612445
Energy: 1.199624092084865
Energy: 1.1867181503112831
Energy: 1.2226375905548161
Energy: 1.204447320004168
Energy: 1.2033145139295955
Energy: 1.2346656025375362
Energy: 1.1961032191537135
Energy: 1.1828894320721677
Energy: 1.1954513957619903
Energy: 1.2200991749272527
Energy: 1.2152359250961895
Energy: 1.1944621500979817
Energy: 1.2203605845688208
Energy: 1.1968227225854646
Energy: 1.2331881063006698
Energy: 1.3594951491487663
Energy: 1.2543719892823897
Energy: 1.1996870605633507
Energy: 1.3597972456067278
Energy: 1.2545794479981556
Energy: 1.2789997992802344
Energy: 1.2336688265032312
Energy: 1.3198540205387426
Energy: 1.273216412896842
Energy: 1.2885256097350923
Energy: 1.339772849411824
Energy: 1.276450623161549
Energy: 1.193465397796192
Energy: 1.1812549966676786
Energy: 1.1823320297562383
Energy: 1.2523363351463488
Energy: 1.190350468584475
Energy: 1.1825431963446862
Energy: 1.2658392896596296
Energy: 1.3477825475576095
Energy: 1.179984385097923
Energy: 1.2060030546214524
Energy: 1.253737745486229
Energy: 1.3389114071248231
Energy: 1.1883693180912167
Energy: 1.252641156517899
Energy: 1.2744511108626035
Energy: 1.2193724828044858
Energy: 1.4360155359112452
Energy: 1.4610124370842512
Energy: 1.219693415789146
Energy: 1.145095412474887
Energy: 1.4606695195135695
Energy: 1.2521789829563874
Energy: 1.1826199243515394
Energy: 1.1958196645684565
Energy: 1.26590857517603
Energy: 1.1825222823958963
Energy: 1.1801367184412783
Energy: 1.2537356034392477
Energy: 1.2325885392747171
Energy: 1.1889253697120168
Energy: 1.3772311381264917
Energy: 1.253693871651207
Energy: 1.195212090747066
Energy: 1.319310495590357
Energy: 1.2538624691085438
Energy: 1.4328745941092302
Energy: 1.2895036457714015
Energy: 1.1834719376760177
Energy: 1.4359768226348282
Energy: 1.4373162369399557
Energy: 1.424350662359487
Energy: 1.4359719770718462
Energy: 1.2702496040773537
Energy: 1.181338927864567
Energy: 1.1843721547274053
Energy: 1.2525570007955726
Energy: 1.1883269214925867
Energy: 1.1837356431875683
Energy: 1.2530987894129249
Energy: 1.2530860841790563
Energy: 1.1531142322707935
Energy: 1.1964164510679345
Energy: 1.26683817311783
Energy: 1.1829652754309465
Energy: 1.1800448284824516
Energy: 1.2671168342157495
Energy: 1.2673124743789357
Energy: 1.1747475265117975
Energy: 1.2797803046468306
Energy: 1.251485021564877
Energy: 1.2375717840884997
Energy: 1.1347586193510264
Energy: 1.3480139937961668
Energy: 1.3673428337522764
Energy: 1.1510196580628111
Energy: 1.1989197948042676
Energy: 1.2542477033389923
Energy: 1.2032714314388413
Energy: 1.1890568450453467
Energy: 1.1961431316084012
Energy: 1.1960016834249658
Energy: 1.1936935303665421
Energy: 1.1712129443252481
Energy: 1.2182401325080596
Energy: 1.1955781987470848
Energy: 1.1720679327497867
Energy: 1.2196348711910332
Energy: 1.1852849898227031
Energy: 1.199062498248802
Energy: 1.1865691653153783
Energy: 1.2225682891619378
Energy: 1.207802778304422
Energy: 1.203293789520083
Energy: 1.2377937699391455
Energy: 1.1959443261388139
Energy: 1.1831728527484775
Energy: 1.1956784665548084
Energy: 1.219919024331426
Energy: 1.1854485616341142
Energy: 1.1945073228891079
Energy: 1.2203150838219172
Energy: 1.1963017668734721
Energy: 1.233225048070357
Energy: 1.3596788952355363
Energy: 1.2543758400139706
Energy: 1.2939020544716497
Energy: 1.3592894818803634
Energy: 1.2792020460994005
Energy: 1.2894169404493268
Energy: 1.2330638073410292
Energy: 1.3199563813486672
Energy: 1.2623579061117212
Energy: 1.2889868446746535
Energy: 1.34661971335506
Energy: 1.2761926756727546
Energy: 1.1956273197499292
Energy: 1.180574418253547
Energy: 1.182222163573057
Energy: 1.2523515934769618
Energy: 1.1904130397124653
Energy: 1.182372843658094
Energy: 1.2661501546352874
Energy: 1.347458938876992
Energy: 1.1828529474375393
Energy: 1.1958049057390208
Energy: 1.2538847703784268
Energy: 1.1815186850420536
Energy: 1.1884492201004901
Energy: 1.372344614644692
Energy: 1.2744949430797212
Energy: 1.219372346697816
Energy: 1.4349181544221687
Energy: 1.3507995297169995
Energy: 1.219838733668297
Energy: 1.1410774144772815
Energy: 1.461467815159351
Energy: 1.2522575366599267
Energy: 1.182427024326491
Energy: 1.195810137268405
Energy: 1.265616761972852
Energy: 1.1820851151068361
Energy: 1.180090032070652
Energy: 1.253825156067869
Energy: 1.2316823221148994
Energy: 1.1898783256251417
Energy: 1.3768666332566109
Energy: 1.2531534850374695
Energy: 1.1955764692751478
Energy: 1.3192948383293954
Energy: 1.2539476410083215

minimum gb energy = 1.1347586193510264 eV
minimum distance =  2.24514438170852 Angstroms
sigma value = 21


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

Energy: 1.6589915910223796
Energy: 1.1009281230687078
Energy: 1.1464902360920946
Energy: 1.258625514072965
Energy: 1.1743144560899494
Energy: 1.1845675544066552
Energy: 1.1742563737856773
Energy: 1.2575230262986175
Energy: 1.2010468188266346
Energy: 1.1810919239549824
Energy: 1.247562535516094
Energy: 1.2199896912466182
Energy: 1.1790594758273572
Energy: 1.2127373734766362
Energy: 1.1993253440267022
Energy: 1.154765493979067
Energy: 1.1569461375731895
Energy: 1.1927538590798998
Energy: 1.2040939047886836
Energy: 1.1562957264692588
Energy: 1.2162945193250534
Energy: 1.2043718065159943
Energy: 1.214179556503762
Energy: 1.1011121059876685
Energy: 1.2180339667533344
Energy: 1.1997125818848298
Energy: 1.1007189843322116
Energy: 1.226596775945522
Energy: 1.113020244020609
Energy: 1.1282328981005345
Energy: 1.1773392906667033
Energy: 1.1412054314498272
Energy: 1.1388065149273157
Energy: 1.1001591176105034
Energy: 1.177573811367412
Energy: 1.1123406088689602
Energy: 1.1607169898973044
Energy: 1.16303032752822
Energy: 1.1267872149091236
Energy: 1.1606884930274661
Energy: 1.1268666543973458
Energy: 1.165201613259347
Energy: 1.1070704661704038
Energy: 1.1217287132832117
Energy: 1.0866815200491853
Energy: 1.1641127938651206
Energy: 1.1210999297585846
Energy: 1.1614467838041758
Energy: 1.1219104721108604
Energy: 1.1017089439183563
Energy: 1.121623007293145
Energy: 1.1651999733967353
Energy: 1.1136861363155925
Energy: 1.1208815599638422
Energy: 1.1732862658343037
Energy: 1.1314573334987617
Energy: 1.0707186885236075
Energy: 1.0836120220377525
Energy: 1.1472427615643903
Energy: 1.0933780379550688
Energy: 1.0731933553132331
Energy: 1.1664248708482088
Energy: 1.0930840023938326
Energy: 1.0780722629489428
Energy: 1.071480025393261
Energy: 1.1499568540979654
Energy: 1.1104809063524437
Energy: 1.0681296970683316
Energy: 1.1482718162027783
Energy: 1.0997072602739915
Energy: 1.1098499341206858
Energy: 1.1072017904827747
Energy: 1.1433531894662334
Energy: 1.128395546230962
Energy: 1.1081185413614298
Energy: 1.14377623685471
Energy: 1.1172720939116694
Energy: 1.1210375642597095
Energy: 1.1513977055723683
Energy: 1.1363105597029366
Energy: 1.1257314430059242
Energy: 1.1433196520388773
Energy: 1.128597963826568
Energy: 1.1277543959046552
Energy: 1.1023870899021027
Energy: 1.1469397435776059
Energy: 1.0605592195853766
Energy: 1.0944007819083688
Energy: 1.1506294233458647
Energy: 1.0639919543100216
Energy: 1.0920391280612656
Energy: 1.1222990153615944
Energy: 1.165360834799177
Energy: 1.06147087307859
Energy: 1.1036653928811386
Energy: 1.144829178474198
Energy: 1.0610269097562424
Energy: 1.089192634185498
Energy: 1.1224767181035364
Energy: 1.1581632558774035
Energy: 1.1010353502104362
Energy: 1.098150240936007
Energy: 1.1460979786348247
Energy: 1.1216307548891995
Energy: 1.1097355067127284
Energy: 1.1703911750527398
Energy: 1.1530088059133203
Energy: 1.1212090673533377
Energy: 1.1359635946179387
Energy: 1.1445604622736085
Energy: 1.121354255815613
Energy: 1.135230907522852
Energy: 1.1543300705521031
Energy: 1.1409576694766947
Energy: 1.1009784713487334
Energy: 1.1459623169254878
Energy: 1.1806722302864214
Energy: 1.122063736054692
Energy: 1.1596257190048191
Energy: 1.1765369007521183
Energy: 1.1590151665035473
Energy: 1.1380251263242376
Energy: 1.1589341195671643
Energy: 1.1555366736288923
Energy: 1.1388148040595594
Energy: 1.1411899683090843
Energy: 1.180253935253655
Energy: 1.1013919678550794
Energy: 1.1977832485852111
Energy: 1.1633273869411764
Energy: 1.1011593163408782
Energy: 1.1239489413404467
Energy: 1.2013615472105408
Energy: 1.1786071459297556
Energy: 1.155136966189448
Energy: 1.2183608786251168
Energy: 1.2263982057498508
Energy: 1.1546247011607704
Energy: 1.1590991112893616
Energy: 1.2182465653672065
Energy: 1.1761765067790169
Energy: 1.18495762258076
Energy: 1.1978945207192366
Energy: 1.2311538504519326
Energy: 1.2042938531891385
Energy: 1.1581210464196543
Energy: 1.2317864075584073
Energy: 1.2539296341584854
Energy: 1.158182455789401
Energy: 1.2464392455207436
Energy: 1.2288852272960935
Energy: 1.161599674041489
Energy: 1.17422279576495
Energy: 1.245166571543676
Energy: 1.243319122371314
Energy: 1.2039632461194787
Energy: 1.2476478239222086
Energy: 1.2288468445440357
Energy: 1.1996280746090757
Energy: 1.1011317926771893
Energy: 1.2449771200829254
Energy: 1.2372654352964751
Energy: 1.1792766174922167
Energy: 1.1991505141109737
Energy: 1.229937245871351
Energy: 1.2015080621714633
Energy: 1.1810292378873062
Energy: 1.2317672046789394
Energy: 1.2576002598636224
Energy: 1.2012851877720898
Energy: 1.2233988491073973
Energy: 1.223450748052689
Energy: 1.2463952089220285
Energy: 1.182292214872417
Energy: 1.2126960924021453

minimum gb energy = 1.0605592195853766 eV
minimum distance =  2.24535273031309 Angstroms
sigma value = 113


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

Energy: 1.6532081185661465
Energy: 1.0387722345099626
Energy: 1.0575923280403106
Energy: 1.1734448945789524
Energy: 1.1739155661098122
Energy: 1.1008974899396995
Energy: 1.215208338630846
Energy: 1.1046844358561028
Energy: 1.0430987413305741
Energy: 1.0637150699500515
Energy: 1.0601353485806548
Energy: 1.047461800969246
Energy: 1.0558274864881174
Energy: 1.04084389630091
Energy: 1.08895560690473
Energy: 1.015157722884502
Energy: 1.0613690981365091
Energy: 1.0615137933592722
Energy: 1.0280934995392708
Energy: 1.0512967519133738
Energy: 1.0638739968465063
Energy: 0.9971798664257968
Energy: 1.0135536790146495
Energy: 1.0091766549929673
Energy: 0.9927179867534427
Energy: 0.9838701532215667
Energy: 1.010282954556218
Energy: 1.0844506459506755
Energy: 0.9492085103913588
Energy: 1.000533399032935
Energy: 1.0500026624574872
Energy: 1.0205585611982284
Energy: 0.9936528887378321
Energy: 1.0082588866802853
Energy: 1.0405316296659421
Energy: 1.008436002906826
Energy: 0.9969887377816624
Energy: 1.0300316891864914
Energy: 1.0193615162766891
Energy: 0.9923721592114947
Energy: 1.0204032866167876
Energy: 1.0318727495558886
Energy: 1.0130617139191198
Energy: 1.1101244343997656
Energy: 0.9924456585997032
Energy: 1.0008800123828476
Energy: 0.9932206423100985
Energy: 1.0251828779884191
Energy: 1.0034108203784051
Energy: 1.0122599673889643
Energy: 1.1311041609500392
Energy: 1.00946752635211
Energy: 0.9884424550677527
Energy: 1.0145572376615057
Energy: 1.0134572775317894
Energy: 0.9954606604458761
Energy: 0.9975888584257635
Energy: 0.9874132016808396
Energy: 0.9961622925149414
Energy: 0.9741731295240853
Energy: 0.9830469835266034
Energy: 0.9939985906044452
Energy: 0.975181516551705
Energy: 0.95259887654941
Energy: 0.9747253444602341
Energy: 0.9648535725191566
Energy: 0.9681778181452597
Energy: 0.9754543200796087
Energy: 1.0038198329700736
Energy: 0.9726083755959022
Energy: 0.978506672962621
Energy: 1.0110451195673422
Energy: 1.0131269335982884
Energy: 0.9751812982777771
Energy: 0.9752344504849528
Energy: 1.01792336757226
Energy: 0.9553766622161199
Energy: 0.985270338210338
Energy: 0.973808198062346
Energy: 0.96065328400121
Energy: 0.9587762286145162
Energy: 0.9721113030421412
Energy: 0.9603989581372019
Energy: 0.9588176515118386
Energy: 0.9699478253641296
Energy: 0.9897992351549277
Energy: 0.9300014904886716
Energy: 0.9517419061859443
Energy: 1.0015555336847928
Energy: 0.9328243243466942
Energy: 0.9514442294938712
Energy: 0.9704444341674409
Energy: 0.9473575918763628
Energy: 0.929913873823969
Energy: 0.9491316603731695
Energy: 0.9970445215424476
Energy: 0.9199710950813855
Energy: 0.9520919269693682
Energy: 0.9895595934450045
Energy: 0.9455863388527742
Energy: 0.9388301290686091
Energy: 0.9504822416640973
Energy: 0.947982464893662
Energy: 0.9391074039132472
Energy: 0.9543007040013457
Energy: 0.9291156806631723
Energy: 0.9273450096567263
Energy: 0.9409407174268508
Energy: 0.952929050506462
Energy: 0.934827217827035
Energy: 0.9417730528161795
Energy: 0.9546314574680782
Energy: 0.9275696675170023
Energy: 0.9328489455528889
Energy: 0.9454361334718369
Energy: 0.9492829962453695
Energy: 0.9342431616583304
Energy: 0.9469331515406294
Energy: 0.9455918906088763
Energy: 0.9611206602592707
Energy: 0.9402936018264912
Energy: 0.9641023921003209
Energy: 0.9535334757062807
Energy: 0.9376727032279579
Energy: 0.9563628045751217
Energy: 0.9625649876160743
Energy: 0.9952951822720754
Energy: 0.9370493963378622
Energy: 0.9571321010338291
Energy: 0.9459408877428699
Energy: 0.9363816101664441
Energy: 0.9562672881403076
Energy: 0.9519688921728536
Energy: 0.9140073325638342
Energy: 0.910579081029317
Energy: 0.9645343379724747
Energy: 0.927824052112819
Energy: 0.9057048203640451
Energy: 0.9628513317268348
Energy: 0.9265151481353691
Energy: 0.9436248811037354
Energy: 0.9481992122823508
Energy: 0.9547630811152344
Energy: 0.9364638139011146
Energy: 0.9540472663068774
Energy: 0.9543316568275779
Energy: 0.9393780448896528
Energy: 0.9509492226979827
Energy: 0.9577375814184586
Energy: 0.9569090104694482
Energy: 0.9376849455328294
Energy: 0.9547515732834365
Energy: 0.9556059843065118
Energy: 0.9391738766879689
Energy: 0.9440614279616617
Energy: 0.966889334890742
Energy: 0.9019603069214687
Energy: 0.9300811730025514
Energy: 0.960815499319985
Energy: 0.9055262771671857
Energy: 0.9263137518099752
Energy: 0.9667175571689604
Energy: 0.9940785231302709
Energy: 0.9362259341873018
Energy: 0.9467173394899736
Energy: 0.9546709157847632
Energy: 0.935060372867577
Energy: 0.9735530750074135
Energy: 0.9769380377085654
Energy: 0.9618854239657353
Energy: 0.9401937366381734
Energy: 0.9584108987822572
Energy: 0.9695157613221175
Energy: 0.9389361690274274
Energy: 0.9477090952285088
Energy: 0.9552914849250728
Energy: 0.9354858406393222
Energy: 0.9369186711015602
Energy: 0.9468856827256428
Energy: 0.9425127655620368
Energy: 0.9356877247180236
Energy: 0.944147679108698
Energy: 0.9479116031048782
Energy: 0.9344663442464645
Energy: 0.9249590252314828
Energy: 0.9530727053013001
Energy: 0.9434034592759881
Energy: 0.9217832791843771
Energy: 0.9430782793489204
Energy: 0.9660442922283525
Energy: 0.9428781155517614
Energy: 0.9364383731837099
Energy: 0.9726018326152901
Energy: 0.9369448395268096
Energy: 0.9488321198478018
Energy: 0.9708976868447803
Energy: 0.9424133331732508
Energy: 0.9337798989449584
Energy: 0.9992602128749178
Energy: 0.951025102627607
Energy: 0.9299569955140714
Energy: 0.9987490850268433
Energy: 0.9490447499008298
Energy: 0.9422556318683215
Energy: 0.9367560546038368
Energy: 1.0037308420419728
Energy: 0.9506093794065447
Energy: 0.9312647264218896
Energy: 0.9895559872409672
Energy: 0.9555897125650018
Energy: 0.9754080612599842
Energy: 0.9545970929022207
Energy: 0.9753793450743359
Energy: 0.9579928918336773
Energy: 0.9604619736099094
Energy: 0.972109147210141
Energy: 0.9567044241681291
Energy: 0.9840657479451145
Energy: 1.006695741022411
Energy: 0.9753275115303793
Energy: 0.9627852221252056
Energy: 1.0119103376638314
Energy: 0.9920517552075261
Energy: 0.9890518688206479
Energy: 0.9708451831263404
Energy: 1.0077504092677634
Energy: 0.9901583740452625
Energy: 0.9671849937048153
Energy: 1.0070353998665331
Energy: 0.9741798536354498
Energy: 0.9890273955583165
Energy: 0.9984012376057931
Energy: 0.9973985812287762
Energy: 0.9907109494257197
Energy: 0.9745250750082456
Energy: 0.9947044968164803
Energy: 1.0061833755477965
Energy: 0.9758112602863082
Energy: 1.0103866219884463
Energy: 1.028185426988197
Energy: 1.0154276935562376
Energy: 0.9969621053300344
Energy: 0.9903850350378637
Energy: 1.0156250246404945
Energy: 0.9783868955495028
Energy: 1.0088563730808102
Energy: 1.0090628707851277
Energy: 0.9930089855120194
Energy: 0.9601245728327729
Energy: 1.0570819325413545
Energy: 0.9932017833956903
Energy: 1.0071863376465244
Energy: 1.0473643639790262
Energy: 1.0128037275208595
Energy: 0.9932437420391899
Energy: 1.0174766467308047
Energy: 1.0215127224564562
Energy: 1.001860290365584
Energy: 1.0193913382445012
Energy: 1.0919639887630963
Energy: 1.0100642463464733
Energy: 1.0213901982186404
Energy: 1.0212995993512333
Energy: 1.0093071935649942
Energy: 1.0019809512528757
Energy: 1.046272195538502
Energy: 1.0904518413509863
Energy: 1.1268376685465422
Energy: 1.1418254243724955
Energy: 1.0271345434119579
Energy: 1.009100444416863
Energy: 1.0034509120165271
Energy: 0.9700711275626873
Energy: 1.08975253149344
Energy: 1.0508448364181033
Energy: 1.0311216561336431
Energy: 1.0869501546646303
Energy: 1.0617418332716795
Energy: 1.01520859875963
Energy: 1.0494154554449433
Energy: 1.0492438794895254
Energy: 1.04920713247065
Energy: 1.0901424048626478
Energy: 1.04688141626586
Energy: 1.0393858656700299
Energy: 1.0316254491110306
Energy: 1.1283636340408991
Energy: 0.9855172757393006
Energy: 1.10401523618564
Energy: 1.0646833246880567
Energy: 0.9861856231063355
Energy: 0.9843663364584437
Energy: 1.0412875435119548
Energy: 1.0989096687457787
Energy: 1.0918570886955747
Energy: 1.0521850165242725
Energy: 1.064195693319242
Energy: 1.04553113668234
Energy: 1.0570696234302435
Energy: 1.0508769215640519
Energy: 1.0997934290456484
Energy: 1.1063326194833847
Energy: 1.0484006861845183
Energy: 1.0585486124321652
Energy: 1.0982886938454588
Energy: 1.0499984441901105
Energy: 1.0541649981720171
Energy: 1.0610372669797468
Energy: 1.144657169119896
Energy: 0.9865556892997621
Energy: 0.9839609439471741
Energy: 1.0653376130353898
Energy: 1.0645823563251415
Energy: 1.0030684913541998
Energy: 0.9930621173000479

minimum gb energy = 0.9019603069214687 eV
minimum distance =  2.24899845537732 Angstroms
sigma value = 365


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

Energy: 1.2031706595320402
Energy: 1.1305409297677582
Energy: 1.2189499749732604
Energy: 1.2070579959993222
Energy: 1.206383138380831
Energy: 1.2079653657134772
Energy: 1.2211057372746288
Energy: 0.38493058406579667
Energy: 0.37012773446031844
Energy: 0.3694284423240877
Energy: 0.3691784039294301
Energy: 0.3693876454463178
Energy: 0.3695193384028286
Energy: 0.3695899105076922
Energy: 0.3848466491246922
Energy: 0.3699575303694677
Energy: 0.36965094550146055
Energy: 0.36951297657842935
Energy: 0.36955009897009644
Energy: 0.3693644353596934
Energy: 0.36967684272029944
Energy: 1.14554256901477
Energy: 1.1768441746183322
Energy: 1.158556212613658
Energy: 1.1449142630450981
Energy: 1.1448798060559844
Energy: 1.154873438266932
Energy: 1.1844364196125208
Energy: 1.1848220034280184
Energy: 1.1756441260070214
Energy: 1.1759987085870356
Energy: 1.1754198352515568
Energy: 1.2194062495201368
Energy: 1.175887824843091
Energy: 1.1754617741348372
Energy: 0.38509668527169716
Energy: 0.36973878962156514
Energy: 0.36962360234926517
Energy: 0.36934932441888224
Energy: 0.36933037906223515
Energy: 0.36957257928915943
Energy: 0.3695697320338737
Energy: 1.1462795478719487
Energy: 1.1757098134425619
Energy: 1.1576450074345377
Energy: 1.1542995570342884
Energy: 1.1552809921293303
Energy: 1.193352846579448
Energy: 1.1759902108339233
Energy: 1.1455941004281367
Energy: 1.1762540310260607
Energy: 1.1917557908180236
Energy: 1.1532413973973963
Energy: 1.145796033217482
Energy: 1.1564408957001335
Energy: 1.1761158360243615
Energy: 0.385112298222363
Energy: 0.3696281093349753
Energy: 0.36941622568879506
Energy: 0.3692816946239282
Energy: 0.3694446177836588
Energy: 0.3695636242303523
Energy: 0.36971275468090553
Energy: 1.1848763598343617
Energy: 1.1756694890459467
Energy: 1.1759247192685998
Energy: 1.1760482114056225
Energy: 1.17624974610307
Energy: 1.1755634049958572
Energy: 1.175247544084039
Energy: 1.1757555303117622
Energy: 1.1436527245523034
Energy: 1.1590891657267943
Energy: 1.1452422178721258
Energy: 1.1457561424920324
Energy: 1.1451747874445126
Energy: 1.1594911415791262
Energy: 0.38494375280351295
Energy: 0.37011611705953734
Energy: 0.36960747251325754
Energy: 0.3696134271658913
Energy: 0.369444134184672
Energy: 0.36970360847185724
Energy: 0.36992554783063797
Energy: 0.3847570225726161
Energy: 0.3702869713213288
Energy: 0.3694671112065163
Energy: 0.3695637970206997
Energy: 0.3694531853032355
Energy: 0.3693591928928986
Energy: 0.36987241586233455
Energy: 1.176502885279474
Energy: 1.1763625857062465
Energy: 1.158164920586323
Energy: 1.1464597987321563
Energy: 1.146584173419382
Energy: 1.147149156367052
Energy: 1.158760656118099
Energy: 1.145806715888057
Energy: 1.1764899504078528
Energy: 1.175366177543925
Energy: 0.3691034693789115
Energy: 0.3689273413684162
Energy: 0.3697186306656163
Energy: 1.1760119144162609
Energy: 0.38485830317696196
Energy: 0.3701514112335056
Energy: 0.36983638854756173
Energy: 0.3693058299117599
Energy: 0.3692883611184573
Energy: 0.3694700944374173
Energy: 0.36983452569561664
Energy: 1.1457786740116367
Energy: 1.1764508911491003
Energy: 1.158467013017541
Energy: 1.1451490276788798
Energy: 1.1454193210741823
Energy: 1.1548972995261542
Energy: 1.1856527893200852
Energy: 1.1854808304755449
Energy: 1.175911391043488
Energy: 1.175896342295879
Energy: 1.158135520237002
Energy: 1.2188348544716956
Energy: 1.1756877610718994
Energy: 1.175533394565151
Energy: 0.38542440414940526
Energy: 0.36941543239514796
Energy: 0.369213996300396
Energy: 0.3691904772208478
Energy: 0.36891696940002966
Energy: 0.36913000602832036
Energy: 0.36904783452359163
Energy: 1.1442511769209809
Energy: 1.1752974632259812
Energy: 1.1758735934856899
Energy: 1.1539265957961773
Energy: 1.1525230803148487
Energy: 1.1941374037461898
Energy: 1.176015557802287

minimum gb energy = 0.36891696940002966 eV
minimum distance =  2.29634258283388 Angstroms
sigma value = 23