Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 0.014418336630766923
Energy: 0.10479435264661564
Energy: 0.09145456896812257
Energy: 0.09258252761967116
Energy: 0.10752230595944623
Energy: 0.09034474142047463
Energy: 0.10582582921553213
Energy: 0.09162093257808765
Energy: 0.09341273674646
Energy: 0.01719081194418963
Energy: 0.09069773837409349
Energy: 0.09052194236343244
Energy: 0.10441686542643527
Energy: 0.015330282809709004
Energy: 0.015654351492187565
Energy: 0.09454770446894607
Energy: 0.09067051317964109
Energy: 0.10417840457254497
Energy: 0.09054426078254481
Energy: 0.105942950365007
Energy: 0.09124396599350575
Energy: 0.09049190492613897
Energy: 0.10442059477220943
Energy: 0.01796209636039214
Energy: 0.09267912753082051
Energy: 0.09167305773663927
Energy: 0.01683861304073916
Energy: 0.014941088587563154
Energy: 0.10413631219119467
Energy: 0.09201651771581347
Energy: 0.016087078532077793
Energy: 0.10560415302158356
Energy: 0.0905171488483713
Energy: 0.0909264379589121
Energy: 0.09049945283164221
Energy: 0.09048096923036601
Energy: 0.015329866281851654
Energy: 0.015242610448173736
Energy: 0.09082225546930874
Energy: 0.014657591627802497
Energy: 0.016561896679518576
Energy: 0.09371748826431298
Energy: 0.09126157698313403
Energy: 0.015722863715517805
Energy: 0.014651682487594828
Energy: 0.09056829065850402
Energy: 0.09233523266297362
Energy: 0.09169874806977245
Energy: 0.09047037235753252
Energy: 0.014477891704193141
Energy: 0.09078449039286465
Energy: 0.09319341190243406
Energy: 0.10636969109634263
Energy: 0.015249318051766547
Energy: 0.01470582075748874
Energy: 0.091140398968796
Energy: 0.015097903374763303
Energy: 0.016170911913909576
Energy: 0.1048134239001964
Energy: 0.09055646229801172
Energy: 0.014649415396132978
Energy: 0.10453987735090542
Energy: 0.09040435057263618
Energy: 0.10435712981457108
Energy: 0.09123535164491753
Energy: 0.09053291453626043
Energy: 0.014989376742658433
Energy: 0.016555459550671222
Energy: 0.10421388791150257
Energy: 0.09172975979007167

minimum gb energy = 0.014418336630766923 eV
minimum distance =  2.47070552916266 Angstroms
sigma value = 3


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

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Energy: 1.3238529289228753
Energy: 1.310918380283456
Energy: 1.2719854558013506
Energy: 1.324238129141838
Energy: 1.2957515331270197
Energy: 1.3176182326692039
Energy: 1.3386233542743287
Energy: 1.3133879050722768
Energy: 1.43005844036102
Energy: 1.3191588836206036
Energy: 1.3135506933312602
Energy: 1.3309314981564382
Energy: 1.39397882144202
Energy: 1.3235898560611201
Energy: 1.3084996345719364
Energy: 1.3371371438827666
Energy: 1.3503174384558179
Energy: 1.3267471427903759
Energy: 1.3264264598821722
Energy: 1.2842063335985696
Energy: 1.2530726999880761
Energy: 1.3313367897963702
Energy: 1.343298709680807
Energy: 1.363450789031342
Energy: 1.3375107840941336
Energy: 1.4384531140104102
Energy: 1.2609090446462046
Energy: 1.3273976898905901
Energy: 1.3010828478535834
Energy: 1.4835404826434127
Energy: 1.2529263267992132
Energy: 1.3312298170990267
Energy: 1.3084167672022693
Energy: 1.270521333489101
Energy: 1.3401039524095613
Energy: 1.3497122676652353
Energy: 1.4885837645893703
Energy: 1.2805336684163358
Energy: 1.2833406458750565
Energy: 1.4845009586005222
Energy: 1.2853847998303838
Energy: 1.5076051407743787
Energy: 1.4812934235034734
Energy: 1.2647968377584238
Energy: 1.3284462995843254
Energy: 1.3779456408857134
Energy: 1.2915953596277145
Energy: 1.289444970541492
Energy: 1.267757313712803
Energy: 1.330775948151764
Energy: 1.259047020694869
Energy: 1.2644719733694052
Energy: 1.264397950122597
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Energy: 1.3546677053277945
Energy: 1.4317029313869403
Energy: 1.253351430681879
Energy: 1.2908628704499021
Energy: 1.2645559569444214
Energy: 1.3557142386847154
Energy: 1.2855367572233316
Energy: 1.252434635702131
Energy: 1.2565988407119602
Energy: 1.2776413056572329
Energy: 1.2504658604679462
Energy: 1.2515870913466194
Energy: 1.4339862381228152
Energy: 1.3080215768522265
Energy: 1.3290708603781067
Energy: 1.3313283839959107
Energy: 1.376272309966886
Energy: 1.2595569075003612
Energy: 1.259202167418484
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Energy: 1.429909811419914
Energy: 1.2477100161341415
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Energy: 1.2526850597422508
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Energy: 1.452369955096751
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Energy: 1.3294721162386525
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Energy: 1.456842439481444
Energy: 1.3286760260431616
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Energy: 1.38065002977849
Energy: 1.3333557328100976
Energy: 1.2612859212011769
Energy: 1.3237058969525088
Energy: 1.3266316047683067
Energy: 1.3225470005277833
Energy: 1.3165364965035766
Energy: 1.3399290763155345
Energy: 1.3373037222507775
Energy: 1.512022997858464
Energy: 1.2579684242365077
Energy: 1.3109092963572393
Energy: 1.316264881629644
Energy: 1.3244221128751124
Energy: 1.3249903484655907
Energy: 1.3079149729074595
Energy: 1.3208362846061439
Energy: 1.3341934053338649
Energy: 1.3192813921808417
Energy: 1.3300634830336338
Energy: 1.4309022332403907
Energy: 1.34043467321007
Energy: 1.2529207521057877
Energy: 1.3995054370312763
Energy: 1.3188152862047262
Energy: 1.4423077289785913
Energy: 1.3989135791304905
Energy: 1.2616571326045563
Energy: 1.326164427481537
Energy: 1.3330733823174215
Energy: 1.3279878498779492
Energy: 1.254379710017468
Energy: 1.3371330395535963
Energy: 1.3614049510873256
Energy: 1.3293588790800666
Energy: 1.3379602948989466
Energy: 1.2649076638041357
Energy: 1.4846454696459976
Energy: 1.280806751341662
Energy: 1.287790637298738
Energy: 1.547963641537905
Energy: 1.3060180223361206
Energy: 1.33684903781495
Energy: 1.2852399309374567
Energy: 1.2777531799944213
Energy: 1.3260597502447236
Energy: 1.3134743248204535
Energy: 1.2817682850267131
Energy: 1.2882450174857754
Energy: 1.2533326253810375
Energy: 1.4827229412036529
Energy: 1.2859403811384864
Energy: 1.5071060446351392
Energy: 1.5520526698815604
Energy: 1.2643058411587416
Energy: 1.340086140485958
Energy: 1.428731813164158
Energy: 1.2510064514345804
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Energy: 1.2669707943099564
Energy: 1.2848248113104084
Energy: 1.2596266102810818
Energy: 1.2650711753688932
Energy: 1.2498709081586836
Energy: 1.5049974253776006
Energy: 1.470378590427112
Energy: 1.2507185196230268
Energy: 1.4340682460453156
Energy: 1.2944802404397442
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Energy: 1.3450737366364536
Energy: 1.2826897471392027
Energy: 1.2520716818233848
Energy: 1.2577371255677083
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Energy: 1.2839754635663445
Energy: 1.258004251781373
Energy: 1.331866228745104
Energy: 1.4283860938315864
Energy: 1.2477366217173862
Energy: 1.3287682127010823
Energy: 1.257117787544121
Energy: 1.2597401103030665
Energy: 1.2609734246968813
Energy: 1.3024467620521707
Energy: 1.285345747254743
Energy: 1.2622345435881583
Energy: 1.3535733982053777
Energy: 1.329553972709586
Energy: 1.2473379048535425
Energy: 1.368126935029965
Energy: 1.3545005447234735
Energy: 1.2517285517227332
Energy: 1.2842926258248593
Energy: 1.245033113563493
Energy: 1.2590915329196934
Energy: 1.2756216400763698
Energy: 1.2478261720504757
Energy: 1.2469632825835981
Energy: 1.3303284561916724
Energy: 1.3477428985277085
Energy: 1.433200083643402
Energy: 1.246146778365704
Energy: 1.2505942366210918
Energy: 1.3034254675081542
Energy: 1.3699386436770553
Energy: 1.2468180911778266
Energy: 1.2825650272756333
Energy: 1.258949679064847
Energy: 1.2726860899145955
Energy: 1.2933373767656902
Energy: 1.252003239231681
Energy: 1.4348447930506858
Energy: 1.4378871636033033
Energy: 1.3839607712619668
Energy: 1.5088823267879086
Energy: 1.2992036966879066
Energy: 1.2852553491454397
Energy: 1.281900580332266
Energy: 1.2643006301633104
Energy: 1.2865533778985903
Energy: 1.2698552275686255
Energy: 1.3881575570996716
Energy: 1.333313082214669
Energy: 1.2956402266066054
Energy: 1.370818856663724
Energy: 1.4278488970773895
Energy: 1.3251001123023123
Energy: 1.4845565211988638
Energy: 1.2447549724538374
Energy: 1.2948963204779556
Energy: 1.313094240891948
Energy: 1.3400030052408758
Energy: 1.2787371866691422
Energy: 1.2769516251688426
Energy: 1.3371308212300062
Energy: 1.331162588481631
Energy: 1.2517266335486374
Energy: 1.3070352075269849
Energy: 1.2822066354760364
Energy: 1.4967510030375553
Energy: 1.5339879195301518
Energy: 1.2605719651738647
Energy: 1.3256273889796795
Energy: 1.2817222351966149
Energy: 1.4750129386817918
Energy: 1.3290384904566777
Energy: 1.3072499608658215
Energy: 1.31383724813669
Energy: 1.322748377904289
Energy: 1.3223936031912542
Energy: 1.3175416109231397
Energy: 1.4797239287777064
Energy: 1.294787456262593
Energy: 1.2814136681555255

minimum gb energy = 1.2447549724538374 eV
minimum distance =  2.22633071759239 Angstroms
sigma value = 75


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

Energy: 1.6518487103672694
Energy: 1.382515681741581
Energy: 1.3938255418646197
Energy: 1.4052711010897478
Energy: 1.3818278904712493
Energy: 1.4277006182457925
Energy: 1.4349244738098694
Energy: 1.3960234938248615
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Energy: 1.4014744845626594
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Energy: 1.4061863071530283
Energy: 1.391506705150794
Energy: 1.505270209272001
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Energy: 1.3706887547866284
Energy: 1.4014546764598204
Energy: 1.3579462689368043
Energy: 1.3752971753894279
Energy: 1.478071596041386
Energy: 1.3990439210236032
Energy: 1.373620427720832
Energy: 1.3742025439854892
Energy: 1.4076179976510454
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Energy: 1.4789834077470674
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Energy: 1.397777426297036
Energy: 1.428134492940637
Energy: 1.399521024570591
Energy: 1.479212894456347
Energy: 1.450273983112157
Energy: 1.338782870521169
Energy: 1.3606626850102377
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Energy: 1.467702760646718
Energy: 1.4308267844304121
Energy: 1.4575225327348773
Energy: 1.4754891742928495
Energy: 1.4270121540123404
Energy: 1.3386865014675198
Energy: 1.34329470500256
Energy: 1.3693636906191997
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Energy: 1.4007012751398045
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Energy: 1.3440040419648673
Energy: 1.344340914824405
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Energy: 1.3921011143648718
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Energy: 1.4800419073845354
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Energy: 1.375987674290893
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Energy: 1.4390461081230288
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Energy: 1.4801943532539152
Energy: 1.5035664570752192
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Energy: 1.42333327953914
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Energy: 1.3443903055661555
Energy: 1.4247242771013116
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Energy: 1.3557234268687746
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Energy: 1.3628330489833476
Energy: 1.3582390913304252
Energy: 1.354374448040371
Energy: 1.3512129416431646
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Energy: 1.3400514334385105
Energy: 1.4245538155809505
Energy: 1.4172800958256795
Energy: 1.362896231424723
Energy: 1.3571992068194736
Energy: 1.3446412829170284
Energy: 1.3539659539521882
Energy: 1.357470800523861
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Energy: 1.4180673906281112
Energy: 1.3536846617066585
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Energy: 1.343507587482642
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Energy: 1.3786670984128462
Energy: 1.3920500934910023
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Energy: 1.4299854070563058
Energy: 1.4539379029100605
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Energy: 1.5005153659500299
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Energy: 1.3695260570288879
Energy: 1.462256425754382
Energy: 1.5496931208920717
Energy: 1.4469853649377937
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minimum gb energy = 1.3245036800716625 eV
minimum distance =  2.21414288988217 Angstroms
sigma value = 105


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

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Energy: 1.3455648861187999
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Energy: 1.3587886090495407
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Energy: 1.3515146981245962
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Energy: 1.503426601475258
Energy: 1.37330853778283
Energy: 1.4313032221062654
Energy: 1.4022968961155955
Energy: 1.3543119727278095
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Energy: 1.3676091168358855
Energy: 1.448077085035782
Energy: 1.4486055926645947
Energy: 1.388955739520373
Energy: 1.3340427997428772
Energy: 1.3570820925016296
Energy: 1.4545183920647757
Energy: 1.3565300284262132
Energy: 1.3747523863613487
Energy: 1.46343629817662
Energy: 1.4478998369588907
Energy: 1.4803089474809186
Energy: 1.3515818644823705
Energy: 1.3659328103557102
Energy: 1.3335351470483154
Energy: 1.3420622019171655
Energy: 1.398929526814913
Energy: 1.436223915650152
Energy: 1.3894177398128789
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Energy: 1.4382044931857747
Energy: 1.4499679182556775
Energy: 1.337808980133605
Energy: 1.3785813772166924
Energy: 1.3354757204992218
Energy: 1.3429765454067886
Energy: 1.3676955558861499
Energy: 1.3699121111029329
Energy: 1.3764597382869266
Energy: 1.3419197142168604
Energy: 1.3442344975304026
Energy: 1.4240111748935125
Energy: 1.3476803118374365
Energy: 1.36977523060528
Energy: 1.3433226922992936
Energy: 1.3548506058082201
Energy: 1.3304125143489742
Energy: 1.3586345750452495
Energy: 1.376748046797696
Energy: 1.394420268330598
Energy: 1.4315180218496544
Energy: 1.361693990053526
Energy: 1.3881004649255313
Energy: 1.4561663140586698
Energy: 1.498219260329866
Energy: 1.3456173159162579
Energy: 1.345368719335545
Energy: 1.3370966400787188
Energy: 1.3935702168660795
Energy: 1.4484577845720998
Energy: 1.3975011845624845
Energy: 1.3874081534239013
Energy: 1.3343267200431461
Energy: 1.4684921965312274
Energy: 1.4868727151427121
Energy: 1.4224765234694088
Energy: 1.4132142685921507
Energy: 1.3326842153140843
Energy: 1.511996183147865
Energy: 1.3350537821261894
Energy: 1.3520125159235132
Energy: 1.37308623111197
Energy: 1.3384664018144643
Energy: 1.4136527734119417
Energy: 1.4235745030545048
Energy: 1.4860923327979039
Energy: 1.4963628982761317
Energy: 1.308335917809339

minimum gb energy = 1.2561685370594 eV
minimum distance =  2.24368966945725 Angstroms
sigma value = 165


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

Energy: 1.5223574379165636
Energy: 1.2921874933352253
Energy: 1.320925978622684
Energy: 1.2944706577056937
Energy: 1.3112016943161935
Energy: 1.2787915110909216
Energy: 1.3149283383438157
Energy: 1.2939540651963761
Energy: 1.2925901732369698
Energy: 1.2434655364109066
Energy: 1.3409932946139465
Energy: 1.517524523999752
Energy: 1.513828426431939
Energy: 1.5873939411063709
Energy: 1.3160031566843398
Energy: 1.5177748884666178
Energy: 1.2782979588922234
Energy: 1.2855114832792134
Energy: 1.2795017721860085
Energy: 1.313239685149649
Energy: 1.3143908648358738
Energy: 1.292089106972676
Energy: 1.3098556471724736
Energy: 1.3846401838298836
Energy: 1.5555486389439406
Energy: 1.347809802122259
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Energy: 1.3038647235654102
Energy: 1.366112426753721
Energy: 1.3462449304610828
Energy: 1.3480527268160485
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Energy: 1.5557444077759992
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Energy: 1.2767597555324839
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Energy: 1.5348230154720155
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Energy: 1.587526171497716
Energy: 1.4928758079622628
Energy: 1.2804259793331125
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Energy: 1.5880295232063129
Energy: 1.294201368987409
Energy: 1.3274382662808086
Energy: 1.3260368922199242
Energy: 1.3192150334293666
Energy: 1.2942695540447788
Energy: 1.2796314079061741
Energy: 1.2790898911220132
Energy: 1.558535422742052
Energy: 1.3007474027088906
Energy: 1.2942255574545496
Energy: 1.5932729814357718
Energy: 1.3984987889187412
Energy: 1.328529098530579
Energy: 1.3152486280877211
Energy: 1.2915174921426131
Energy: 1.3340574609875056
Energy: 1.3170397721872664
Energy: 1.2876471298361076
Energy: 1.3044212409708886
Energy: 1.2860421738002266
Energy: 1.3266848024825322
Energy: 1.343176519896522
Energy: 1.2925235024008408
Energy: 1.3677252337322112
Energy: 1.3376871064005815
Energy: 1.327352241312543
Energy: 1.2970073837450538
Energy: 1.286265038700317
Energy: 1.2923734135129028
Energy: 1.2823952058801646
Energy: 1.3501919231302952
Energy: 1.3127769314513567
Energy: 1.3018626395406432
Energy: 1.3192452645129442
Energy: 1.321547246091008
Energy: 1.274047321461464
Energy: 1.2769371616421075
Energy: 1.2905476308565185
Energy: 1.3118735713926677
Energy: 1.3264724134258368
Energy: 1.3459057217662278
Energy: 1.276066166113115
Energy: 1.3409715226817869
Energy: 1.34302706296198
Energy: 1.55802886480448
Energy: 1.2895670211356516
Energy: 1.278913641197887
Energy: 1.2941657373066648
Energy: 1.3211049207784875
Energy: 1.3104582481441618
Energy: 1.291103361423999
Energy: 1.303009241246512
Energy: 1.2807923900119231
Energy: 1.3460863606176054
Energy: 1.2812651121130956
Energy: 1.3254081526909096
Energy: 1.291646738352669
Energy: 1.5158398010771537

minimum gb energy = 1.2434655364109066 eV
minimum distance =  2.22220672083962 Angstroms
sigma value = 41


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

Energy: 2.627815066170262
Energy: 1.3228074007513493
Energy: 1.3109362015067092
Energy: 1.2335122042678868
Energy: 1.2399274516056324
Energy: 1.3118493378113196
Energy: 1.3097570265945768
Energy: 1.3710655472223046
Energy: 1.2802140594267062
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Energy: 1.2543512622685744
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Energy: 1.222245865625206
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Energy: 1.230659299914673
Energy: 1.2274823213145016
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Energy: 1.1794141026493232
Energy: 1.2230796566705404
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Energy: 1.3032125495553832
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Energy: 1.2581546670495334
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Energy: 1.3285363972645745
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Energy: 1.293794615535339
Energy: 1.3132587940869311
Energy: 1.3137074498649233
Energy: 1.3483873467867895
Energy: 1.2143092175954113
Energy: 1.2354075844516534
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Energy: 1.3241059417478405
Energy: 1.3513204379578314
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Energy: 1.308297860736613
Energy: 1.3099941986730885
Energy: 1.3551229614448057
Energy: 1.2266186863643347
Energy: 1.2286800665069395
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Energy: 1.3378075805215144
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Energy: 1.2210261665520112
Energy: 1.2761504984996404
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Energy: 1.2578975876225729
Energy: 1.2151055714894483
Energy: 1.2541317446306366
Energy: 1.3762083284612183
Energy: 1.2211020414228706
Energy: 1.1697278949964103
Energy: 1.2770357809103876
Energy: 1.2170378712538688
Energy: 1.2630521032305864
Energy: 1.2333410597630061
Energy: 1.3255221822693688
Energy: 1.2593025855311033
Energy: 1.3544756027697014
Energy: 1.2114557156338983
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Energy: 1.2788221514353437
Energy: 1.2874537883471469
Energy: 1.2402677627954317
Energy: 1.2550487180366383
Energy: 1.29025544947307
Energy: 1.3249004199164252
Energy: 1.3363232813861539
Energy: 1.263325940141863
Energy: 1.303318949289329
Energy: 1.2116222990370789
Energy: 1.3326402539548605
Energy: 1.317774423469116
Energy: 1.2940412906796173
Energy: 1.2544825785540332
Energy: 1.2323018724581314
Energy: 1.3096805902662032
Energy: 1.279399373727644
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Energy: 1.2865215084740538
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Energy: 1.2291633912969075
Energy: 1.2386784184438533
Energy: 1.214565811677572
Energy: 1.2181681989245126
Energy: 1.275611945703777
Energy: 1.3223744502819261
Energy: 1.3038890435256174
Energy: 1.2988679777221794
Energy: 1.2260605585733053
Energy: 1.2275792163638337
Energy: 1.2265218019674036
Energy: 1.222571671071008
Energy: 1.2183381520164094
Energy: 1.2315360552124832
Energy: 1.264849823355116
Energy: 1.2990451393807128
Energy: 1.269479573292824
Energy: 1.3269732303064434
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Energy: 1.2324250466692377
Energy: 1.164208660337505
Energy: 1.1720450898122663
Energy: 1.2542982324142422
Energy: 1.2143858050555059
Energy: 1.2580950277073746
Energy: 1.219001006802591
Energy: 1.2140376582817836
Energy: 1.2628796049910527
Energy: 1.3324859561297062
Energy: 1.2127567238716455
Energy: 1.1073864762234307
Energy: 1.3137240473870062
Energy: 1.2769459336939235
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Energy: 1.3418508492175267
Energy: 1.3030199742609494
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Energy: 1.2297152055578753
Energy: 1.3423179487914305
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Energy: 1.2504782583503244
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Energy: 1.3103404778489995
Energy: 1.2256656392610894
Energy: 1.225829688364169
Energy: 1.2234229321536512
Energy: 1.2246421497246662
Energy: 1.1680693504339512
Energy: 1.1826368958205884
Energy: 1.165693657304605
Energy: 1.3233372353801967
Energy: 1.318786580173373
Energy: 1.309197264135185
Energy: 1.2982808363754756
Energy: 1.2516217734482635
Energy: 1.2138598603501873
Energy: 1.1891256024424823
Energy: 1.24405722057879
Energy: 1.2654888524316559
Energy: 1.2197085002651689
Energy: 1.2731963613426198
Energy: 1.2352321517890745
Energy: 1.2143247660472583
Energy: 1.3103396081731025
Energy: 1.3223872943341894
Energy: 1.217227296887098
Energy: 1.1649044753961995
Energy: 1.280788945357974
Energy: 1.2764366962625933
Energy: 1.2120598118901973
Energy: 1.2100876269825278
Energy: 1.355045907943012
Energy: 1.328780809426302
Energy: 1.3181358498470814
Energy: 1.3216522353693674
Energy: 1.2109748921815706
Energy: 1.1035042808183684
Energy: 1.2980553738401723
Energy: 1.2939565808413769
Energy: 1.2135740027161739
Energy: 1.2456718199776364
Energy: 1.285384606213768
Energy: 1.3053844639117764
Energy: 1.2841954811237597
Energy: 1.2723113602924343
Energy: 1.2128892290132094
Energy: 1.2978963904538543
Energy: 1.3593121745373922
Energy: 1.2102017305694939
Energy: 1.2767985373617656
Energy: 1.2816048375669775
Energy: 1.2740370826775598
Energy: 1.2733295318567723
Energy: 1.1693382848108627
Energy: 1.1643878523129392
Energy: 1.21311681398883
Energy: 1.2886867680355176
Energy: 1.216991066771073
Energy: 1.2123314439957675
Energy: 1.2088933150531445
Energy: 1.2243669037135658
Energy: 1.2663440833727335
Energy: 1.2660178892873195
Energy: 1.310958263144025
Energy: 1.2220647207941275
Energy: 1.2120180636315248
Energy: 1.2160428019167766
Energy: 1.2172674819828913
Energy: 1.2066461347038135
Energy: 1.201945872212039
Energy: 1.205717317859476
Energy: 1.2807642269256825
Energy: 1.3323866940001747
Energy: 1.3115248682702667
Energy: 1.3113408134113236
Energy: 1.2474519078323185
Energy: 1.2103722569192648
Energy: 1.217712980494604
Energy: 1.2089430248405058
Energy: 1.2060878727189768
Energy: 1.284556901787695
Energy: 1.2048709845969545
Energy: 1.2815832488659604
Energy: 1.2588425846696718
Energy: 1.353652397098811
Energy: 1.216690151256886
Energy: 1.2111210212959027
Energy: 1.2137649290308963
Energy: 1.292143356947051
Energy: 1.2899845464433566
Energy: 1.2330790696115188
Energy: 1.255378673620773
Energy: 1.2452609387763298
Energy: 1.3535561037042343
Energy: 1.261037952886843
Energy: 1.2832855206855434
Energy: 1.2560165051924004

minimum gb energy = 1.1035042808183684 eV
minimum distance =  2.21006816149538 Angstroms
sigma value = 185


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

Energy: 2.3677116396807927
Energy: 1.125072577145282
Energy: 1.2758951504814797
Energy: 1.276495684529188
Energy: 1.2786943688115475
Energy: 1.3272702558519256
Energy: 1.4107083565954774
Energy: 1.3287858311656922
Energy: 1.2776946245289182
Energy: 1.121381631619027
Energy: 1.306571430682207
Energy: 1.4156162855082315
Energy: 1.2762115343976248
Energy: 1.113253661095361
Energy: 1.113545646655949
Energy: 1.2771243451275591
Energy: 1.4294203587807506
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Energy: 1.2786805719908563
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Energy: 1.2761370812333046
Energy: 1.302907938909934
Energy: 1.3976259296735865
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Energy: 1.328384000439482
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Energy: 1.1347817757681098
Energy: 1.255648833297913
Energy: 1.1505359801656665
Energy: 1.2745267801029485
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Energy: 1.1246711133151879
Energy: 1.134524471055391
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Energy: 1.3276242614439384
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Energy: 1.2759207547093379
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Energy: 1.4307424440630847
Energy: 1.2772258332167925
Energy: 1.3013671039717756
Energy: 1.2751119603334786
Energy: 1.3295204567850019
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Energy: 1.3237424417461854
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Energy: 1.3924914971247546
Energy: 1.12338235773306
Energy: 1.4179843023347538
Energy: 1.276972787708362
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Energy: 1.2755703308983837
Energy: 1.2852188637594488
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Energy: 1.408285514846472
Energy: 1.1227955081931373
Energy: 1.133908665103625
Energy: 1.1527488037737263
Energy: 1.1511261893365647
Energy: 1.2565995939634835
Energy: 1.1273941392841789
Energy: 1.2768767248362591
Energy: 1.3299841896970752
Energy: 1.4095628595733452
Energy: 1.4081218427509292
Energy: 1.2762629619800436
Energy: 1.1339935213674317
Energy: 1.153272997711692
Energy: 1.1509061302748065
Energy: 1.2763861346282748
Energy: 1.278412559422699
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Energy: 1.1209497963793482
Energy: 1.1175504707991477
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Energy: 1.3925747446827628
Energy: 1.395060152804926
Energy: 1.418161049082048
Energy: 1.2790384987829098
Energy: 1.2796042938075496
Energy: 1.2759374907676582
Energy: 1.4100095296456536
Energy: 1.4089200870563516
Energy: 1.326211937004943
Energy: 1.2754798681671151
Energy: 1.3955542848003248
Energy: 1.6952992470489427
Energy: 1.124672775867376
Energy: 1.2804841248835384
Energy: 1.3215147243086172
Energy: 1.1366921759005582
Energy: 1.123412733444823
Energy: 1.4088422141753842
Energy: 1.4094994180663925
Energy: 1.2766700356677882
Energy: 1.2783067124226424
Energy: 1.397177068331469
Energy: 1.4166071964186722
Energy: 1.2813320761698697
Energy: 1.2788483988439874
Energy: 1.4165265939084553
Energy: 1.324750733123447
Energy: 1.3336418762215243
Energy: 1.1351598773891105
Energy: 1.122795991874763
Energy: 1.1514850380992163
Energy: 1.2768761638726425
Energy: 1.2798334455974751
Energy: 1.2768950621543755
Energy: 1.2750429446929887
Energy: 1.3257701850295291
Energy: 1.4319235349640445
Energy: 1.4086379058825766
Energy: 1.2776205306142423
Energy: 1.127501751070017
Energy: 1.1515823110919097
Energy: 1.151516091503791
Energy: 1.1531857549991045
Energy: 1.1522656095103014
Energy: 1.120906350113906
Energy: 1.1167582559059321
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Energy: 1.2785951433247578
Energy: 1.4089939025462486
Energy: 1.2784143587396155
Energy: 1.2755916448343128
Energy: 1.3028089843317745
Energy: 1.2755294269258937
Energy: 1.1322273209805522
Energy: 1.278825043578781
Energy: 1.3284681852087579
Energy: 1.3284351171313922
Energy: 1.2799605134207106
Energy: 1.7255017540084008
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Energy: 1.4181820306332362
Energy: 1.2768790248707544
Energy: 1.2779349596420255
Energy: 1.39739546742796
Energy: 1.430903071315449
Energy: 1.4298140963173107
Energy: 1.411113257058178
Energy: 1.2754800535142168
Energy: 1.3924376605565165
Energy: 1.3967736060316305
Energy: 1.1333882220444733
Energy: 1.3228057127787425
Energy: 1.2817886379493386
Energy: 1.1228242642206876
Energy: 1.1344663211046508
Energy: 1.3299551053040883
Energy: 1.2756584250513043
Energy: 1.1331076109840696
Energy: 1.2754988324182202
Energy: 1.41790549174238
Energy: 1.2768897370911083
Energy: 1.3218483720971113
Energy: 1.2868202416212609
Energy: 1.4084003920074581
Energy: 1.4097007641915429
Energy: 1.328069144301071
Energy: 1.1228102844225063
Energy: 1.1350869048141379
Energy: 1.1514462368313851
Energy: 1.1514804698683672
Energy: 1.276088072551116
Energy: 1.2790853711714274
Energy: 1.3267027120568804
Energy: 1.1161993117852358
Energy: 1.3296123673831044
Energy: 1.408982273115761
Energy: 1.274653564358326
Energy: 1.2797549449885597
Energy: 1.1518915737050064
Energy: 1.1526955648175585
Energy: 1.1521711819585843
Energy: 1.1240155514943608
Energy: 1.2814319752561145
Energy: 1.373808084120959
Energy: 1.1354854391550788
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Energy: 1.393900469284964
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Energy: 1.2765214033768264
Energy: 1.3127487730199734
Energy: 1.2746123146392387
Energy: 1.2851085343755067
Energy: 1.4079179137887907
Energy: 1.3216283378314844
Energy: 1.39759081204619
Energy: 1.394030916341795
Energy: 1.1194302679237067
Energy: 1.12418091329041
Energy: 1.280207681854695
Energy: 1.2783846099322345
Energy: 1.410702400850533
Energy: 1.4098498675478348
Energy: 1.408268724868248
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Energy: 1.274974417683606
Energy: 1.2786754814381274
Energy: 1.4301510742367243
Energy: 1.416175285520424
Energy: 1.3222141090259163
Energy: 1.1141021351149287
Energy: 1.1294473872813209
Energy: 1.3268071877225807
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Energy: 1.1516525056573002
Energy: 1.1520979788029648
Energy: 1.275990055925339
Energy: 1.2827913348151523
Energy: 1.275990376045368
Energy: 1.4089496808902808
Energy: 1.3297368410343693
Energy: 1.4075045013882954
Energy: 1.2767298588489213
Energy: 1.1347211282219865
Energy: 1.1531840876292396
Energy: 1.149665568108985
Energy: 1.152196363262984
Energy: 1.1344690142582976
Energy: 1.2786528042325853
Energy: 1.3286770327245492
Energy: 1.4094078060195394
Energy: 1.2763635076853361
Energy: 1.4303362063148068
Energy: 1.279657754969576
Energy: 1.2766662616268623
Energy: 1.2808886842302316
Energy: 1.2766430765500898
Energy: 1.129460849910626
Energy: 1.1227504713972087
Energy: 1.3806144303386085
Energy: 1.281264570429272
Energy: 1.2781711500644628
Energy: 1.120239193470474
Energy: 1.3951187376194218
Energy: 1.4084232704159645
Energy: 1.4170841523646787
Energy: 1.2776712394336722
Energy: 1.2752511182419333
Energy: 1.3283074900411165
Energy: 1.4089627467199166
Energy: 1.2786106260251897
Energy: 1.4117304212964845
Energy: 1.2770295648656433
Energy: 1.3954322811166877
Energy: 1.2767572931667568
Energy: 1.2802867566740748
Energy: 1.1133029270103716
Energy: 1.2770373517819922
Energy: 1.4155908251875262
Energy: 1.4077620401805264
Energy: 1.4098839055273211
Energy: 1.122896827946074
Energy: 1.1356995787020738
Energy: 1.2757747970487643
Energy: 1.2805179865177605
Energy: 1.2759991417126284
Energy: 1.276884135003336
Energy: 1.2759154347155457
Energy: 1.1232064370291448
Energy: 1.1259686296229985
Energy: 1.1233091720168016
Energy: 1.1249548710396144
Energy: 1.150975232468347
Energy: 1.1517386934419451
Energy: 1.1522072369364629
Energy: 1.2809132649870656
Energy: 1.2754456318322305
Energy: 1.327937484448889
Energy: 1.4310167308801136
Energy: 1.4079558359184325
Energy: 1.2759718654498262
Energy: 1.2768430456615598
Energy: 1.2765279417963897
Energy: 1.151183336183728
Energy: 1.272528439872126
Energy: 1.1521537226820506
Energy: 1.12018290596618
Energy: 1.1191314082960304
Energy: 1.117803540153143
Energy: 1.3220543608368345
Energy: 1.4305051953797734
Energy: 1.3926828202187904
Energy: 1.4161895068896115
Energy: 1.4185500342065118
Energy: 1.2757913757373913
Energy: 1.2792841680554736
Energy: 1.2790751790500121
Energy: 1.1172621620714474
Energy: 1.1173841185202629
Energy: 1.1224758468795542
Energy: 1.1200065059827826

minimum gb energy = 1.113253661095361 eV
minimum distance =  2.26708296886907 Angstroms
sigma value = 33


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

Energy: 1.576509832356276
Energy: 1.3501875653011932
Energy: 1.4887699892095203
Energy: 1.3091427997023142
Energy: 1.3454032508623148
Energy: 1.500305214084845
Energy: 1.4026338162663576
Energy: 1.4385888545325938
Energy: 1.351270307249804
Energy: 1.368028371023517
Energy: 1.236079033086719
Energy: 1.4393860535899912
Energy: 1.4583868763358099
Energy: 1.4086910891300244
Energy: 1.4307155910815876
Energy: 1.4767776936448107
Energy: 1.4073577963191113
Energy: 1.3571999558140078
Energy: 1.3650940362694177
Energy: 1.2373691453604045
Energy: 1.2342603394188347
Energy: 1.3607502760745576
Energy: 1.4188825876068538
Energy: 1.3098163995858243
Energy: 1.350384607309017
Energy: 1.2385152304200817
Energy: 1.2368758407169569
Energy: 1.2377598932000455
Energy: 1.2364079158248784
Energy: 1.22652081882933
Energy: 1.233076109330941
Energy: 1.2361069793849708
Energy: 1.410312289759293
Energy: 1.2602174038054599
Energy: 1.248104331828284
Energy: 1.3157168649101656
Energy: 1.3571696036989838
Energy: 1.3638642627367912
Energy: 1.2370430412413456
Energy: 1.243757796264672
Energy: 1.2345696514270053
Energy: 1.2364258166793234
Energy: 1.2918074831675719
Energy: 1.460365827285546
Energy: 1.3723399609672495
Energy: 1.3100610382237312
Energy: 1.5309685187885955
Energy: 1.4513664780282818
Energy: 1.2360274443003656
Energy: 1.2327795438382085
Energy: 1.490460112933123
Energy: 1.4318418361818348
Energy: 1.4208190557283262
Energy: 1.4234366980410948
Energy: 1.3576154096996649
Energy: 1.3094766640292226
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Energy: 1.3834839750353465
Energy: 1.4618215816139668
Energy: 1.369999984153571
Energy: 1.427811670812723
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Energy: 1.3610770646558883
Energy: 1.3150338826584191
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Energy: 1.2955634153197808
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Energy: 1.3847182132183098
Energy: 1.4551366449189285
Energy: 1.4557894185775506
Energy: 1.3838518857243811
Energy: 1.3576215734140642
Energy: 1.2209733579231394
Energy: 1.284126567166029
Energy: 1.232926480519834
Energy: 1.2336733620997027
Energy: 1.2369814449954641
Energy: 1.4495537518672168
Energy: 1.4386833536807178
Energy: 1.415285845108812
Energy: 1.4403212108092414
Energy: 1.2199985610004935
Energy: 1.2304423717368451
Energy: 1.2349089602851773
Energy: 1.234409707820174
Energy: 1.2344279824842264
Energy: 1.2646342315866301
Energy: 1.2402790781633832
Energy: 1.443337065914099
Energy: 1.3390124887073498
Energy: 1.485096766631467
Energy: 1.2203555613160828
Energy: 1.2259167784657177
Energy: 1.3639679319407871
Energy: 1.2250153136544548
Energy: 1.2619851983116865
Energy: 1.3583390796856103
Energy: 1.3275643550194771
Energy: 1.4388099839876785
Energy: 1.437980790441068
Energy: 1.3942554232917814
Energy: 1.3759389618253448
Energy: 1.4542735178323822
Energy: 1.3940660743830833
Energy: 1.4034915097322966
Energy: 1.3586441502877893
Energy: 1.522680348494532
Energy: 1.4158109505902536
Energy: 1.417248533893678
Energy: 1.3851874089109637
Energy: 1.2385272654348058
Energy: 1.2212796884580843
Energy: 1.4395087014099026
Energy: 1.4671216457148808
Energy: 1.409041138549573
Energy: 1.4303823981827692
Energy: 1.467627363459517
Energy: 1.369917708786512
Energy: 1.2399658583575648
Energy: 1.2512800334433762
Energy: 1.2526185570711625
Energy: 1.221164387885549
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Energy: 1.3446003445593067
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Energy: 1.439041624301871
Energy: 1.3505623447960584
Energy: 1.400884015976464

minimum gb energy = 1.1939083379893818 eV
minimum distance =  2.20600538391866 Angstroms
sigma value = 219


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

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Energy: 1.2521593903721033
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Energy: 1.2023486055392694
Energy: 1.189445511614981
Energy: 1.18857785856705
Energy: 1.232313903933705
Energy: 1.2218087947514826

minimum gb energy = 1.17024029883535 eV
minimum distance =  2.26658690528963 Angstroms
sigma value = 15


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

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Energy: 1.4597584300926651
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minimum gb energy = 1.3258858546622407 eV
minimum distance =  2.2385865767398 Angstroms
sigma value = 293


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

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Energy: 1.4762237088165513
Energy: 1.4356787805428994
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Energy: 1.359842472035461
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Energy: 1.3642569153883013
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Energy: 1.3162776966252692
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Energy: 1.4320081283073252
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Energy: 1.3927350345310974
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Energy: 1.41982770252943
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Energy: 1.3933096399067475
Energy: 1.3910030061828138
Energy: 1.3723321935611013
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Energy: 1.4537038787107237
Energy: 1.3805574591794805
Energy: 1.3765863134526286
Energy: 1.46405694387164
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Energy: 1.4182873058126362
Energy: 1.3997358106283477
Energy: 1.399814046410036
Energy: 1.3916788754598644
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Energy: 1.4423876068033261
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Energy: 1.3863165737933025
Energy: 1.4367646924928996
Energy: 1.5073705151057168
Energy: 1.4356878291298873
Energy: 1.3979626184140108
Energy: 1.3898722321535142
Energy: 1.3943100417123981
Energy: 1.42526801858518
Energy: 1.4485730275846391
Energy: 1.5919985884229009
Energy: 1.445683089825476
Energy: 1.4597515278132538
Energy: 1.4553729366440176
Energy: 1.354172618827721
Energy: 1.4132197846636299
Energy: 1.400287497759839
Energy: 1.3995860649059793
Energy: 1.4668999262122058
Energy: 1.347667346452918
Energy: 1.47654982864236
Energy: 1.409274055500017
Energy: 1.4460389877207784
Energy: 1.4822129556806518
Energy: 1.4700253177575033
Energy: 1.4134228889691942
Energy: 1.5398777787250426
Energy: 1.3812345643088033
Energy: 1.3316490068464761
Energy: 1.376504347368791
Energy: 1.3645551279076347
Energy: 1.3916641266792282
Energy: 1.3795807756770102
Energy: 1.4690840155987837
Energy: 1.458331355959455
Energy: 1.5642591461005109
Energy: 1.399454272413824
Energy: 1.3992656045349678
Energy: 1.3155546226756023
Energy: 1.3285753299120475
Energy: 1.3536065866204567
Energy: 1.411005317671929
Energy: 1.4398846295752372
Energy: 1.4734538239624901
Energy: 1.4187463865980137
Energy: 1.4120817519883249
Energy: 1.4044717943111713
Energy: 1.3794458684774726
Energy: 1.318477738338488
Energy: 1.3542515568804698
Energy: 1.364287332073671
Energy: 1.6703896751752685
Energy: 1.3461879120477172
Energy: 1.4248421559900692
Energy: 1.4383103439506821

minimum gb energy = 1.315203323587903 eV
minimum distance =  2.24060983002124 Angstroms
sigma value = 293


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

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Energy: 1.293556469241539
Energy: 1.3387550890922253
Energy: 1.4733049102557854
Energy: 1.2394164908345937
Energy: 1.3596535825386362
Energy: 1.2275437305775065
Energy: 1.2283827229212394
Energy: 1.2492668154260822
Energy: 1.4122788266985704
Energy: 1.305568567670121
Energy: 1.305550388957545
Energy: 1.277385939630411
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Energy: 1.2246452911342374
Energy: 1.3965698385971854
Energy: 1.3999854247644865
Energy: 1.248557326171107
Energy: 1.221107985481324
Energy: 1.3957747973612842
Energy: 1.279842074071773
Energy: 1.2926181487806248
Energy: 1.2305382681358505
Energy: 1.2295226336464116
Energy: 1.2211745137430852
Energy: 1.226570737482123
Energy: 1.2607590674891096
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Energy: 1.2827072979967595
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Energy: 1.2300862674867885
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Energy: 1.2247455666946745
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Energy: 1.2765536410873077
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Energy: 1.3504577297117675
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Energy: 1.2210115141584967
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Energy: 1.2818819695650931
Energy: 1.2412087843054098
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Energy: 1.3913943248934437
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Energy: 1.24689134047958
Energy: 1.4120083544150532
Energy: 1.4152425378405074
Energy: 1.2915017060832368
Energy: 1.2196131605481197
Energy: 1.356018231660555
Energy: 1.2773920028882781
Energy: 1.2162583731672418
Energy: 1.2256324790842368
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Energy: 1.3762055878251598
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Energy: 1.219571005957823
Energy: 1.231281863961676
Energy: 1.1110456927461079
Energy: 1.236328045168999
Energy: 1.2272689968743342
Energy: 1.2600031152466409
Energy: 1.4127679312469716
Energy: 1.281105304359252
Energy: 1.4140057101692913
Energy: 1.2132796831664103
Energy: 1.344321834837638
Energy: 1.2209659109657354
Energy: 1.234340109669949
Energy: 1.2276836545626495
Energy: 1.2484635330585558
Energy: 1.41215916953976
Energy: 1.2608828226510465
Energy: 1.2701366678733041
Energy: 1.244730021077369
Energy: 1.3082280459994775
Energy: 1.2215156608436062
Energy: 1.2785693273972012
Energy: 1.280437723674136
Energy: 1.2917396740081897
Energy: 1.2474376051018048
Energy: 1.2264466709937516
Energy: 1.3908964247125237
Energy: 1.4390993904154339
Energy: 1.2776771498374022
Energy: 1.399435536222934
Energy: 1.4007388254486226
Energy: 1.279071084795794
Energy: 1.2302363203150235
Energy: 1.2189623376028809
Energy: 1.2273158860101776
Energy: 1.283868805603026
Energy: 1.399184407565547
Energy: 1.306599559923193
Energy: 1.2822962220605145
Energy: 1.2806548148530037
Energy: 1.4731000665599323
Energy: 1.2370107239399586
Energy: 1.2716786000190279
Energy: 1.2771118244766142
Energy: 1.220469724130066
Energy: 1.2232553772567958
Energy: 1.2361425458147925
Energy: 1.2597977795472144
Energy: 1.4114445962955853
Energy: 1.220737800654317
Energy: 1.2807523403446195
Energy: 1.2626900961534127
Energy: 1.2203700582162178
Energy: 1.2293094934388737
Energy: 1.2252616290914011
Energy: 1.2467990745261928
Energy: 1.2770533699809894
Energy: 1.2606538409667507
Energy: 1.3052409969224323
Energy: 1.4393844853907598
Energy: 1.240787054975676
Energy: 1.4725318714447033
Energy: 1.2829699355696862
Energy: 1.2953899451951407
Energy: 1.2377027706549328
Energy: 1.2310789226914964
Energy: 1.226869259299424
Energy: 1.2507366464195966
Energy: 1.398781582402643
Energy: 1.260729395007228
Energy: 1.2794870075661535
Energy: 1.4014575731640249
Energy: 1.3919350746931276
Energy: 1.3287077110258532
Energy: 1.228200493642604
Energy: 1.2259053317793265
Energy: 1.2826200131461598
Energy: 1.2867368767384342
Energy: 1.2525018787470619

minimum gb energy = 1.1106853444951499 eV
minimum distance =  2.29201612301739 Angstroms
sigma value = 15


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

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Energy: 1.3519217934745023
Energy: 1.3701717450485253
Energy: 1.3521328089210263
Energy: 1.3413295961315637
Energy: 1.331684931467753
Energy: 1.4473922861009245
Energy: 1.3823776202629534
Energy: 1.3593199781638947
Energy: 1.366221991178205
Energy: 1.4023743564212758
Energy: 1.5533580895705146
Energy: 1.5525966571965153
Energy: 1.548311176218401
Energy: 1.3782224440749618
Energy: 1.3556614410366785
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Energy: 1.3325691336028975
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Energy: 1.3557995954143465
Energy: 1.3180776093430766
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Energy: 1.3901717969740484
Energy: 1.3724871480909662
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Energy: 1.3372731232149102
Energy: 1.3556337558586875
Energy: 1.4717758683596818
Energy: 1.4300527884137249
Energy: 1.442456625069283
Energy: 1.4176000583638937
Energy: 1.340155900622812
Energy: 1.3422545944167348
Energy: 1.3350928547600294
Energy: 1.36093825963202
Energy: 1.3819342910170473
Energy: 1.5550066453804847
Energy: 1.52833652737766
Energy: 1.664828132378653
Energy: 1.4829721324967113
Energy: 1.4270659109818877
Energy: 1.3541312577815947
Energy: 1.316823493901045
Energy: 1.3302180629046712
Energy: 1.3373029700611798
Energy: 1.5456264562118132
Energy: 1.381425510375073
Energy: 1.3571591372338974
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Energy: 1.506913972011525
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Energy: 1.367714258770733
Energy: 1.3665807789145452
Energy: 1.3393464178434236
Energy: 1.3558380491767374
Energy: 1.3239021612908306
Energy: 1.298179415714676
Energy: 1.3042816348510446
Energy: 1.432798121248868
Energy: 1.283552003642546
Energy: 1.5410811985284858
Energy: 1.5515962667945449
Energy: 1.5438001682493105
Energy: 1.3735846165290404
Energy: 1.3481278955425586
Energy: 1.3161398678098957
Energy: 1.318137052669621
Energy: 1.3559938030265757
Energy: 1.459716133695054
Energy: 1.4414570917566325
Energy: 1.5689204001564838
Energy: 1.5030690073532373
Energy: 1.3636514647261389
Energy: 1.3533183906741382
Energy: 1.3382508732234666
Energy: 1.3613571961455895
Energy: 1.3552140735049394
Energy: 1.5257498630446469
Energy: 1.4987921470480141
Energy: 1.5060276831608566
Energy: 1.4314070912794024
Energy: 1.465520927195046
Energy: 1.3298089383691023
Energy: 1.3151064840303364
Energy: 1.3824502275489579
Energy: 1.474172056248884
Energy: 1.3871394702139905
Energy: 1.4014524920652673
Energy: 1.3456364474245897
Energy: 1.3269479778342406
Energy: 1.4600424025548602
Energy: 1.4132627180140516
Energy: 1.3574867431050512
Energy: 1.394888618239946
Energy: 1.3787776826383868
Energy: 1.380276595021019
Energy: 1.3549677589078508
Energy: 1.386078266766733
Energy: 1.3920168262749377
Energy: 1.408585639552082
Energy: 1.4545870020778384
Energy: 1.396326625520205
Energy: 1.4433278429065723
Energy: 1.4729697708346894
Energy: 1.3505515308601046
Energy: 1.3705117956455373
Energy: 1.3716600519130089
Energy: 1.4177644988217735
Energy: 1.4089842783759112
Energy: 1.3847328851618816
Energy: 1.425642289459025
Energy: 1.3860093110081635
Energy: 1.4084888476590256
Energy: 1.455555713755326
Energy: 1.4024200857733984
Energy: 1.3744311561346179
Energy: 1.3812212577182021
Energy: 1.3896511552037114
Energy: 1.4158499441157963
Energy: 1.3821325731241152
Energy: 1.3834691647315747
Energy: 1.3823775200031956
Energy: 1.3372249996635666
Energy: 1.387599680842811
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Energy: 1.3720890574279547
Energy: 1.3720059200255688
Energy: 1.4185589626072226
Energy: 1.5020102540346532
Energy: 1.408855760043488
Energy: 1.4081237641406688
Energy: 1.4048910747059087
Energy: 1.4341739356796577
Energy: 1.4090212091105705
Energy: 1.4082265782265415
Energy: 1.4190121784792578
Energy: 1.383337760097855
Energy: 1.3819585287326916
Energy: 1.4846483387763312
Energy: 1.4441051297848013
Energy: 1.3975773252549708
Energy: 1.5007838900805592
Energy: 1.4058555179397667
Energy: 1.3922455716888746
Energy: 1.4313873649140225
Energy: 1.4586635904216074
Energy: 1.5150815210862916
Energy: 1.4754887378476957
Energy: 1.451746217201413
Energy: 1.356275461389684
Energy: 1.3438177507516533
Energy: 1.5122238986630436
Energy: 1.326248733027116
Energy: 1.3452061662123387
Energy: 1.5434962292627779
Energy: 1.5006868974223302
Energy: 1.3508893994742963
Energy: 1.3549056930237218
Energy: 1.316072687390835
Energy: 1.3165295823905319
Energy: 1.4875802201560147
Energy: 1.4230055721009425
Energy: 1.360424239523904
Energy: 1.4988076027677268
Energy: 1.361292495557525
Energy: 1.3234785953110504
Energy: 1.3138799668031838
Energy: 1.3131134955081016
Energy: 1.312550091516321
Energy: 1.3688704099221678
Energy: 1.503648475447932
Energy: 1.4707806800842091
Energy: 1.4071333284453107
Energy: 1.4569350109679873
Energy: 1.3778568038206132
Energy: 1.3016400410866706
Energy: 1.2965664245040887
Energy: 1.356252895048825
Energy: 1.3560795919578448
Energy: 1.3376811676763938
Energy: 1.551525734034839
Energy: 1.5662727271310495
Energy: 1.4041023219003979
Energy: 1.4349886153720628
Energy: 1.3597151806067613
Energy: 1.3829901354749718
Energy: 1.5552205248245925
Energy: 1.3174719558674899
Energy: 1.560383380305914
Energy: 1.3519115809371904
Energy: 1.3801251398702534
Energy: 1.3588535278277722
Energy: 1.4249870121791592
Energy: 1.3380339879661036
Energy: 1.5563090077214636
Energy: 1.5473309635484291
Energy: 1.3820599189574216
Energy: 1.358995860398301
Energy: 1.3243771126641206
Energy: 1.315467832349819
Energy: 1.3414650018312815
Energy: 1.4278054555372994
Energy: 1.3781856096975358
Energy: 1.4482702450714813
Energy: 1.3967707975452384
Energy: 1.3786436053130369
Energy: 1.3426328455181757
Energy: 1.3709705820529727
Energy: 1.3373951350439948
Energy: 1.3417018645722687
Energy: 1.31761386185309
Energy: 1.4440860623964307
Energy: 1.4712721475929884
Energy: 1.4100496854261149
Energy: 1.3363655374093584
Energy: 1.4244593253431688
Energy: 1.3399042718981677
Energy: 1.3355137132083439
Energy: 1.37752999130002
Energy: 1.3829016387821593
Energy: 1.5234087035649857
Energy: 1.5229687249061876
Energy: 1.4621230649481278
Energy: 1.4441049580370937
Energy: 1.336366833198737
Energy: 1.3766561710855056
Energy: 1.3698520692968297
Energy: 1.387898323107756
Energy: 1.4149864530625713
Energy: 1.4007787243848508
Energy: 1.4470037424777031
Energy: 1.3252033788693087
Energy: 1.3426122534946432
Energy: 1.4104279069520178
Energy: 1.4004477677423162
Energy: 1.4651522713874208
Energy: 1.450430610827554
Energy: 1.416444044268432
Energy: 1.3868861492452984
Energy: 1.3763841652211748
Energy: 1.442010896694225
Energy: 1.4651638053490201
Energy: 1.4081302533442315
Energy: 1.4703299689914704
Energy: 1.343752047909798
Energy: 1.358115346776002
Energy: 1.4420821551496208
Energy: 1.3563101493806922
Energy: 1.4157074459594905
Energy: 1.4193407094757096
Energy: 1.4581069334581405
Energy: 1.4814567983201123
Energy: 1.3837304514159465
Energy: 1.4653875633483513
Energy: 1.3618388648146473
Energy: 1.367572065973443
Energy: 1.473779310838635
Energy: 1.4174968763096467
Energy: 1.411377493149742
Energy: 1.364841923905249
Energy: 1.3668741701831932
Energy: 1.3509461045773894
Energy: 1.4415657151398917
Energy: 1.3644015276146624
Energy: 1.4429644697974557
Energy: 1.414698516142251
Energy: 1.3228973031547555
Energy: 1.3523107599332402
Energy: 1.3358810448893623
Energy: 1.3363794494831687
Energy: 1.3387543981263845
Energy: 1.3919069938421282
Energy: 1.4691818557377616
Energy: 1.4275121580527348
Energy: 1.4099277121876057
Energy: 1.4336090035519498
Energy: 1.3627177996291606
Energy: 1.3150136687708696
Energy: 1.3313726900227982
Energy: 1.357386632603312
Energy: 1.3827466704689557
Energy: 1.5528799488667606
Energy: 1.4697558634363617
Energy: 1.4058926616513794
Energy: 1.3836671351024747
Energy: 1.3769655930205218
Energy: 1.37930567725965
Energy: 1.3675060139878998
Energy: 1.3309290222568793
Energy: 1.3520947057326658
Energy: 1.5449699251749407
Energy: 1.3818668391990483
Energy: 1.3608492526542468
Energy: 1.3516265387072548

minimum gb energy = 1.283552003642546 eV
minimum distance =  2.2516981745749 Angstroms
sigma value = 437


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

Energy: 1.566727362357819
Energy: 1.3625990178624587
Energy: 1.4102655924414105
Energy: 1.456536212937834
Energy: 1.5534569819884334
Energy: 1.4591865909251784
Energy: 1.408886508669343
Energy: 1.406708785808073
Energy: 1.4352464710708386
Energy: 1.367243905248431
Energy: 1.5620363628771907
Energy: 1.413757770620408
Energy: 1.487108207494305
Energy: 1.3829784462402046
Energy: 1.41149827589767
Energy: 1.3552615658721263
Energy: 1.3777350013192375
Energy: 1.3804155804533735
Energy: 1.4854598620032686
Energy: 1.4040530091135663
Energy: 1.5965599233298624
Energy: 1.3197377388617768
Energy: 1.535423839758182
Energy: 1.442125239393835
Energy: 1.371238448671492
Energy: 1.4036490093988652
Energy: 1.3915015916504985
Energy: 1.3925195035903009
Energy: 1.3149702115859312
Energy: 1.5398120657014576
Energy: 1.5232748942490377
Energy: 1.473631018145947
Energy: 1.5280022104715947
Energy: 1.473396586817583
Energy: 1.393239360459262
Energy: 1.37866379962959
Energy: 1.4508100512752387
Energy: 1.415322434235693
Energy: 1.5203642223799745
Energy: 1.5334140190040928
Energy: 1.407661621306168
Energy: 1.4164522343137054
Energy: 1.3822899563533062
Energy: 1.417875249624921
Energy: 1.5104922617974799
Energy: 1.5052656432997908
Energy: 1.5030004339176337
Energy: 1.5056871474463804
Energy: 1.312482259327438
Energy: 1.3348210531827425
Energy: 1.290056336255646
Energy: 1.3360008535753838
Energy: 1.3185076965087472
Energy: 1.6087443531744077
Energy: 1.501521517707148
Energy: 1.3867951934490852
Energy: 1.3980769551129315
Energy: 1.45626473827606
Energy: 1.2898763452375206
Energy: 1.2906232316665127
Energy: 1.28888233957627
Energy: 1.2965481848109393
Energy: 1.3970096292777854
Energy: 1.3953583047744156
Energy: 1.5191551825992993
Energy: 1.472314686979351
Energy: 1.3493323389546719
Energy: 1.355239247750887
Energy: 1.3314452286400889
Energy: 1.3388892531113252
Energy: 1.2883095849104091
Energy: 1.292786300071372
Energy: 1.2925801391910567
Energy: 1.4033668617479758
Energy: 1.3503909702920096
Energy: 1.333185345814649
Energy: 1.4522640030435545
Energy: 1.4073612513782372
Energy: 1.3461402173299477
Energy: 1.2959260855068893
Energy: 1.5676700948415219
Energy: 1.2891660136163838
Energy: 1.3312605993119933
Energy: 1.5107306336838076
Energy: 1.4025548470063516
Energy: 1.3789572686531564
Energy: 1.4050923109235673
Energy: 1.4282280065057944
Energy: 1.5183436688952938
Energy: 1.5173478065517787
Energy: 1.4862694307862745
Energy: 1.2899143110406235
Energy: 1.3142514901069655
Energy: 1.4704357002126738
Energy: 1.3900724861787441
Energy: 1.3733813328004145
Energy: 1.4071256858934345
Energy: 1.4356122976656658
Energy: 1.3863055263665
Energy: 1.4962327625723657
Energy: 1.4416643250854453
Energy: 1.3828707365915722
Energy: 1.5494604696633896
Energy: 1.4180832586873007
Energy: 1.4172174019259733
Energy: 1.383422223671429
Energy: 1.4820997515598342
Energy: 1.5768841739084125
Energy: 1.5580524527009194
Energy: 1.4647554849123738
Energy: 1.42592550487227
Energy: 1.536462164600565
Energy: 1.3373899301934875
Energy: 1.5133057500740295
Energy: 1.4965261039027997
Energy: 1.4279997006024647
Energy: 1.4463570860010782
Energy: 1.5185052032525312
Energy: 1.3126753844189962
Energy: 1.487578014664749
Energy: 1.4859483279881223
Energy: 1.4047149112997293
Energy: 1.3752927753207957
Energy: 1.5384996557930648
Energy: 1.490788223263314
Energy: 1.3709886666270452
Energy: 1.404260159800158
Energy: 1.4152271093879711
Energy: 1.4409372288659341
Energy: 1.4176828374680492
Energy: 1.5654081267288202
Energy: 1.4024877766209887
Energy: 1.4063022727812304
Energy: 1.4516825585654536
Energy: 1.5579969643688691
Energy: 1.5481542854347787
Energy: 1.4904614575908115
Energy: 1.4273298970768225
Energy: 1.3523081830098538
Energy: 1.4147192859244033

minimum gb energy = 1.2883095849104091 eV
minimum distance =  2.24309274093005 Angstroms
sigma value = 33