Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657325506211
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8556409774987998e-19, 2.4558483881278797e-19, 3.6251489391537603e-19, 4.0814328227506194e-19, 4.466163497873039e-19, 4.7975577128496e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.8531503342715995e-19, 6.825224395540979e-19, 6.78207777878736e-19, 6.72084258783588e-19, 6.638154251755139e-19, 6.52978302423138e-19, 6.390537852970439e-19, 6.21410616203436e-19, 5.99265330768288e-19, 5.716470099513959e-19, 5.37333192981018e-19, 4.94780983758612e-19, 4.42026113730894e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-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: 0.01318507241496855
Energy: 0.22701626314715692
Energy: 0.22611846258728518
Energy: 0.22624379895302177
Energy: 0.2261243552267777
Energy: 0.013254361548058908
Energy: 0.22701626314762893
Energy: 1.1093902449218287
Energy: 0.22622260204524008
Energy: 0.2261303419916322
Energy: 0.22620443387938377
Energy: 0.22619655056935134
Energy: 0.22611846258728518
Energy: 0.22622260204524008
Energy: 1.1104552679055413
Energy: 0.013443566318393187
Energy: 0.22620871558523364
Energy: 0.22628897757686203
Energy: 0.22624379895302177
Energy: 0.2261303419916322
Energy: 0.013443566318393187
Energy: 0.013333415689808208
Energy: 0.22661097188364052
Energy: 0.22626401720738587
Energy: 0.2261243552267777
Energy: 0.22620443387988354
Energy: 0.22620871558523364
Energy: 0.22661097188364052
Energy: 1.1091608991666622
Energy: 0.22615689552340693
Energy: 0.01325436154855867
Energy: 0.22619655056935134
Energy: 0.22628897757686203
Energy: 0.22626401720738587
Energy: 0.22615689552293494
Energy: 0.013325885818221176

minimum gb energy = 0.01318507241496855 eV
minimum distance =  2.47901796978565 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.9328182746617784
Energy: 1.235943327580106
Energy: 1.2371440097409858
Energy: 1.256584404401959
Energy: 1.2362424125566334
Energy: 1.2317196117102907
Energy: 1.2161743278209642
Energy: 1.2600346597819168
Energy: 1.2318001584134295
Energy: 1.2056397653352269
Energy: 1.232046690723715
Energy: 1.2341185110186188
Energy: 1.2077471397270794
Energy: 1.233500231025433
Energy: 1.2607559508270827
Energy: 1.2475273465522794
Energy: 1.2362031224925278
Energy: 1.2347194952724807
Energy: 1.2486198679537237
Energy: 1.231117715110914
Energy: 1.251333074370364
Energy: 1.3094632081495168
Energy: 1.230836196771431
Energy: 1.2324459248091197
Energy: 1.2725537900479937
Energy: 1.231247402171361
Energy: 1.2323168537004099
Energy: 1.2743198325707472
Energy: 1.2321095311750139
Energy: 1.23165789709607
Energy: 1.2508803781212143
Energy: 1.2489214786669611
Energy: 1.2502952826361193
Energy: 1.2311786855098013
Energy: 1.2497734992563727
Energy: 1.2491967978072023
Energy: 1.250029867428638
Energy: 1.2489085568164764
Energy: 1.2501482673809694
Energy: 1.3096664677242646
Energy: 1.2496327369019207
Energy: 1.2490788284199392
Energy: 1.2049519085711873
Energy: 1.205343173274487
Energy: 1.2358233444932851
Energy: 1.210495716863421
Energy: 1.249904209799475
Energy: 1.2049866227203185
Energy: 1.2018842934094407
Energy: 1.2489584848276378
Energy: 1.2498119854653733
Energy: 1.2556735408470008
Energy: 1.2494690465751563
Energy: 1.2629826285832526
Energy: 1.2067115913067936
Energy: 1.2489127905283977
Energy: 1.2500603227514098
Energy: 1.2331548463266144
Energy: 1.2496956834730932
Energy: 1.2514435216805602
Energy: 1.2062982447181585
Energy: 1.2716023205932132
Energy: 1.2315659509309107
Energy: 1.2062401989712872
Energy: 1.2312139174762629
Energy: 1.2050865918764089
Energy: 1.2481327643402198
Energy: 1.2319192467038216
Energy: 1.231886352375272
Energy: 1.2965684020944155
Energy: 1.2317670478716733
Energy: 1.2316805175644934
Energy: 1.2712599452675928
Energy: 1.2319434867373213
Energy: 1.231851522117502
Energy: 1.2981220075847977
Energy: 1.2318331199535
Energy: 1.2315149425395262
Energy: 1.2049578511842902
Energy: 1.2319730647016387
Energy: 1.2314174972971865
Energy: 1.2081398682805142
Energy: 1.2318610684757985
Energy: 1.232141088116922
Energy: 1.2492522797368286
Energy: 1.2306260031895575
Energy: 1.2310733344348832
Energy: 1.2338107446012
Energy: 1.2311437940701977
Energy: 1.2515408259614171
Energy: 1.206442551920931
Energy: 1.234113328926651
Energy: 1.233189049856256
Energy: 1.253329575354783
Energy: 1.2331548253919464
Energy: 1.2371485809279568
Energy: 1.2097373537055824
Energy: 1.2317646167750826
Energy: 1.2105458713333368
Energy: 1.2057086488415787
Energy: 1.2489163851739418
Energy: 1.2335138192596171
Energy: 1.2560534549973181
Energy: 1.2494157308674176
Energy: 1.2486870319256578
Energy: 1.2491267032334548
Energy: 1.2485380357076634
Energy: 1.2497461862917274
Energy: 1.2582456009644256
Energy: 1.2496500291048522
Energy: 1.2641420455082428
Energy: 1.251345381635265
Energy: 1.2493087628102308
Energy: 1.2492211716866948
Energy: 1.2729425653995672
Energy: 1.250251425861787
Energy: 1.2094995695229342
Energy: 1.2592223051703568
Energy: 1.248982660162105
Energy: 1.2326816595229364
Energy: 1.2558677721386577
Energy: 1.2494919687684936
Energy: 1.2513711981566544
Energy: 1.2513725505059645
Energy: 1.2487724027084697
Energy: 1.2493928864545876
Energy: 1.2049554302700352
Energy: 1.24947109007866
Energy: 1.2485687867828033
Energy: 1.2033452726646623
Energy: 1.2487641356897945
Energy: 1.2373632559590628
Energy: 1.3304385313997154
Energy: 1.259921347980095
Energy: 1.2324182850677325
Energy: 1.2565731398434634
Energy: 1.2320411623740344
Energy: 1.234617076749688

minimum gb energy = 1.2018842934094407 eV
minimum distance =  2.24034821031567 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.556397618626205
Energy: 1.2946612183660229
Energy: 1.2949268499334683
Energy: 1.286817176522724
Energy: 1.2946567225584116
Energy: 1.3025555842043404
Energy: 1.385956429740061
Energy: 1.3042804229858682
Energy: 1.289340142400718
Energy: 1.2933031536265598
Energy: 1.2864820448699512
Energy: 1.3060350335808968
Energy: 1.381356857713329
Energy: 1.3043995308031178
Energy: 1.342000221301036
Energy: 1.273088943654148
Energy: 1.3042867767317319
Energy: 1.304656879068003
Energy: 1.3562593314050326
Energy: 1.3036777816077398
Energy: 1.3029439671178373
Energy: 1.3705346303537174
Energy: 1.302935577326345
Energy: 1.3038531109171847
Energy: 1.3864839054128164
Energy: 1.303283093174064
Energy: 1.2816842719086332
Energy: 1.3861019492544966
Energy: 1.3174376550198346
Energy: 1.3038498516173729
Energy: 1.2851001630530539
Energy: 1.3129860016237025
Energy: 1.3131058474814719
Energy: 1.2832563733363287
Energy: 1.3141550802794975
Energy: 1.3127666459124037
Energy: 1.2844098785543423
Energy: 1.313675985669496
Energy: 1.3133096021562494
Energy: 1.310180183179994
Energy: 1.3134917391722258
Energy: 1.3128433974268499
Energy: 1.3101919460685547
Energy: 1.283543199206667
Energy: 1.2841877225295228
Energy: 1.2823257319680796
Energy: 1.3138774017036405
Energy: 1.2831285844785623
Energy: 1.2917741596962138
Energy: 1.3044372387488257
Energy: 1.305127727622625
Energy: 1.3573746389249286
Energy: 1.3039874819299317
Energy: 1.3180399988483946
Energy: 1.2562818923762475
Energy: 1.3029578284148853
Energy: 1.30378759631246
Energy: 1.3317232523318054
Energy: 1.3028195381791337
Energy: 1.2988372039273948
Energy: 1.353076365872913
Energy: 1.2829499438891216
Energy: 1.3041635894393535
Energy: 1.3700434701072823
Energy: 1.3028015404257511
Energy: 1.2816791793597704
Energy: 1.2823713018042169
Energy: 1.2821617043664415
Energy: 1.2827573693466434
Energy: 1.2709045201469649
Energy: 1.2819713304278788
Energy: 1.281982126808361
Energy: 1.2725271591676945
Energy: 1.2818849317071814
Energy: 1.283041194225114
Energy: 1.2634748606202064
Energy: 1.282353852460124
Energy: 1.2822221346775413
Energy: 1.2840082624398121
Energy: 1.2550281584959047
Energy: 1.3040974857364882
Energy: 1.3805610170416491
Energy: 1.3031437519293194
Energy: 1.283184243837335
Energy: 1.2813636898496654
Energy: 1.3071692659390546
Energy: 1.3081764432859275
Energy: 1.3320560745841479
Energy: 1.308091366550996
Energy: 1.3070929428308047
Energy: 1.2753356790562114
Energy: 1.3077465502224712
Energy: 1.3085455712859806
Energy: 1.3573334199880083
Energy: 1.3089032058151737
Energy: 1.352808410447664
Energy: 1.2835723484855164
Energy: 1.2553799930869098
Energy: 1.3044093572240227
Energy: 1.379160286391807
Energy: 1.3083081159771102
Energy: 1.2551679119399917
Energy: 1.257668400719974
Energy: 1.3071941663236442
Energy: 1.307488502969245
Energy: 1.4527449425274976
Energy: 1.3076507939317932
Energy: 1.309700853855542
Energy: 1.2546838172917572
Energy: 1.3073512393993927
Energy: 1.3081920591388376
Energy: 1.3028546998555268
Energy: 1.3080820721656623
Energy: 1.307293037481731
Energy: 1.2837349355783982
Energy: 1.2820700606554163
Energy: 1.3040617209088197
Energy: 1.3861018398081901
Energy: 1.3028411751266973
Energy: 1.2828726749127075
Energy: 1.274717284387551
Energy: 1.2828637173199033
Energy: 1.297458230422413
Energy: 1.2543730243517424
Energy: 1.2825996854600863
Energy: 1.2831249666995235
Energy: 1.2828379140061985
Energy: 1.284398326570887
Energy: 1.3064242610144843
Energy: 1.2802386061760505
Energy: 1.2874051779757032
Energy: 1.2844857371020928
Energy: 1.3841069336740994
Energy: 1.3442975691091397
Energy: 1.3074852454757375
Energy: 1.3782970849205562
Energy: 1.3066331880304423
Energy: 1.3097045359823032
Energy: 1.259584953039478
Energy: 1.3049751815254667
Energy: 1.3070476452100632
Energy: 1.3274079908650505
Energy: 1.305345214121445
Energy: 1.309644017703581
Energy: 1.3569236440019032
Energy: 1.3197755021609252
Energy: 1.304852327285084
Energy: 1.3277720828063697
Energy: 1.3041973136539706
Energy: 1.3107811860428733
Energy: 1.2825437708793213
Energy: 1.3130187141030794
Energy: 1.3128044415486737
Energy: 1.2824338648324272
Energy: 1.31326158077169
Energy: 1.2860153310200684
Energy: 1.2894600438898784
Energy: 1.3133577874090263
Energy: 1.313210721804502
Energy: 1.3766096480525716
Energy: 1.3132072390145464
Energy: 1.3128005230780369
Energy: 1.2832654617235562
Energy: 1.3135265686878008
Energy: 1.2929764547596911
Energy: 1.285009372855138
Energy: 1.3143361820973378
Energy: 1.2826623873505965
Energy: 1.3580285970836017
Energy: 1.306811677484813
Energy: 1.3214682061839795
Energy: 1.2820742674228043
Energy: 1.3069394815139401
Energy: 1.3064112337017035
Energy: 1.3570582359331207
Energy: 1.3057435655582423
Energy: 1.299663352261553
Energy: 1.3125053332683898
Energy: 1.304521337963086
Energy: 1.3056329420693764
Energy: 1.370704065842697
Energy: 1.3039489660194405
Energy: 1.2883150068826577
Energy: 1.352092438540783
Energy: 1.3068721142072746
Energy: 1.3053925608067631
Energy: 1.3448914452408745
Energy: 1.2854087385632678
Energy: 1.2829292701375703
Energy: 1.2840235603019532
Energy: 1.2829502169231957
Energy: 1.382860046777648
Energy: 1.265275575638027
Energy: 1.2819153600101663
Energy: 1.2816706172676946
Energy: 1.2737542070306922
Energy: 1.281745160483795
Energy: 1.302890790669279
Energy: 1.3870083600273186
Energy: 1.3028047220480548
Energy: 1.2816225001055375
Energy: 1.283353018271149
Energy: 1.2821472921527504
Energy: 1.3035616546509687
Energy: 1.3859303131042175
Energy: 1.3075941975223324
Energy: 1.3070384291205228
Energy: 1.2810398438790482
Energy: 1.3071170753355459
Energy: 1.3071600441713613
Energy: 1.3577608369786527
Energy: 1.307626787292238
Energy: 1.3071728026269382
Energy: 1.2743054722327452
Energy: 1.3072793326580183
Energy: 1.30761270658074
Energy: 1.380881648727964
Energy: 1.3039730047068143
Energy: 1.2551211689058897
Energy: 1.2546677078731245
Energy: 1.255326152290061
Energy: 1.3071365998499151
Energy: 1.3575975711991048
Energy: 1.3079541964401176
Energy: 1.307316150958272
Energy: 1.25630809467888
Energy: 1.307366761757063
Energy: 1.307812759236482
Energy: 1.3858624183075388
Energy: 1.307587112862013
Energy: 1.3071807587656277
Energy: 1.2542463877590735
Energy: 1.3070066374117963
Energy: 1.307223232725561
Energy: 1.3870028660492315
Energy: 1.302613701888537
Energy: 1.2821804877611502
Energy: 1.2834543603396358
Energy: 1.2822774449333811
Energy: 1.3031811834082094
Energy: 1.280907335923578
Energy: 1.2824487702210081
Energy: 1.2820507624757256
Energy: 1.2730438886816822
Energy: 1.282016170728424
Energy: 1.3007135580025317

minimum gb energy = 1.2542463877590735 eV
minimum distance =  2.2420554077826 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.3655527358572765
Energy: 1.3279355818940062
Energy: 1.3283939386790544
Energy: 1.326645491327234
Energy: 1.3279690861768048
Energy: 1.3179104215659294
Energy: 1.3976680069863832
Energy: 1.3320474232608273
Energy: 1.313400260895316
Energy: 1.3109486415729465
Energy: 1.3277628821119738
Energy: 1.3132401310939938
Energy: 1.472593689165166
Energy: 1.3100153177183722
Energy: 1.332868750407287
Energy: 1.3123940899585094
Energy: 1.3098244011339402
Energy: 1.310241697715367
Energy: 1.3960665226899251
Energy: 1.3099456338885682
Energy: 1.3084024945702728
Energy: 1.4135956494508781
Energy: 1.3089659389701664
Energy: 1.3102801360275198
Energy: 1.4083872407453353
Energy: 1.3111059793873077
Energy: 1.3127956959955265
Energy: 1.3150280027321557
Energy: 1.3262664722202608
Energy: 1.313392186712203
Energy: 1.4229780780795058
Energy: 1.3289230947889616
Energy: 1.31048460368283
Energy: 1.30968901299525
Energy: 1.3283338705442413
Energy: 1.3283879965990684
Energy: 1.4073078340735827
Energy: 1.3287869409067714
Energy: 1.328737762375006
Energy: 1.5316518346072145
Energy: 1.3291801729034436
Energy: 1.3285503241164487
Energy: 1.424055608059213
Energy: 1.3268302989356795
Energy: 1.3106239643301545
Energy: 1.3095736930448763
Energy: 1.328907519989508
Energy: 1.3171282560123145
Energy: 1.2507948353076583
Energy: 1.3126806138771177
Energy: 1.3107476388385142
Energy: 1.3975029630611537
Energy: 1.3104846414922215
Energy: 1.249013262888881
Energy: 1.2512727216553194
Energy: 1.3096185546189116
Energy: 1.3108187881890225
Energy: 1.3105433838453486
Energy: 1.310044277874911
Energy: 1.3117726763344544
Energy: 1.3985013313058654
Energy: 1.3125095351415168
Energy: 1.3129510540884846
Energy: 1.3109457357964827
Energy: 1.3113180327701026
Energy: 1.3090549392234117
Energy: 1.4076583335884456
Energy: 1.3088320168434047
Energy: 1.308681295771902
Energy: 1.413869652783913
Energy: 1.3084592807554252
Energy: 1.3088468943029625
Energy: 1.394531262975622
Energy: 1.3090937845248585
Energy: 1.30936091416683
Energy: 1.3098808775273152
Energy: 1.308393648464867
Energy: 1.3090892626129722
Energy: 1.4077093928975937
Energy: 1.3256221640480113
Energy: 1.3113634447568248
Energy: 1.311448455122043
Energy: 1.3112094827207634
Energy: 1.308011311654175
Energy: 1.4211481460867683
Energy: 1.327093880393347
Energy: 1.327147011886458
Energy: 1.3153209501526555
Energy: 1.326996004915811
Energy: 1.327048889098864
Energy: 1.4072345208118542
Energy: 1.3271007938018005
Energy: 1.327624909773923
Energy: 1.5344894462040852
Energy: 1.3273417047475469
Energy: 1.3088786681695763
Energy: 1.3967189953257177
Energy: 1.3115751897044448
Energy: 1.3141683042065757
Energy: 1.3099995715350679
Energy: 1.3263791319372946
Energy: 1.326587896508651
Energy: 1.250465792196918
Energy: 1.3090591802026514
Energy: 1.309475090680716
Energy: 1.3947635618066352
Energy: 1.3097571931051648
Energy: 1.3118242422330226

minimum gb energy = 1.249013262888881 eV
minimum distance =  2.24162490254203 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.1567217500667684
Energy: 1.3772142099290603
Energy: 1.3409924271571751
Energy: 1.340833933660747
Energy: 1.3785205997254615
Energy: 1.3860015306927145
Energy: 1.3661589408688017
Energy: 1.385801576139673
Energy: 1.341442102561219
Energy: 1.3219663372700523
Energy: 1.3872041903504952
Energy: 1.3858940638978055
Energy: 1.3543873310476764
Energy: 1.3844397493987495
Energy: 1.3833829981653336
Energy: 1.3198906919450732
Energy: 1.3839346627948736
Energy: 1.3836457082898208
Energy: 1.4045848776267054
Energy: 1.3856522944076197
Energy: 1.3841020774080393
Energy: 1.4061835981267732
Energy: 1.3846635973167383
Energy: 1.3862344766827315
Energy: 1.3537298854524438
Energy: 1.4011039387434534
Energy: 1.3697566708071751
Energy: 1.321655192281882
Energy: 1.4037985109929456
Energy: 1.3879847018449445
Energy: 1.3631612235480273
Energy: 1.389060386127881
Energy: 1.3694705945072476
Energy: 1.3206472792318666
Energy: 1.386901267587987
Energy: 1.3838939288964363
Energy: 1.353827333648599
Energy: 1.3996295055159937
Energy: 1.386965079771657
Energy: 1.3859508185388312
Energy: 1.3840780564932824
Energy: 1.3895739154868394
Energy: 1.3550450411585968
Energy: 1.3868382564229254
Energy: 1.3697853134078388
Energy: 1.3200439356624218
Energy: 1.3875034140679208
Energy: 1.3848675229764085
Energy: 1.3140376895108827
Energy: 1.3888224700399905
Energy: 1.3412728133270808
Energy: 1.3203045094382835
Energy: 1.3411508000527015
Energy: 1.3839165334650512
Energy: 1.31402812960568
Energy: 1.3411797288200462
Energy: 1.3417694687360062
Energy: 1.3663726283792703
Energy: 1.341688619743235
Energy: 1.3852461149570563
Energy: 1.3647648035472284
Energy: 1.400464224938403
Energy: 1.3722893770143745
Energy: 1.3599452528197982
Energy: 1.3949708036007282
Energy: 1.4105507125437926
Energy: 1.3533987530085743
Energy: 1.3871914876313998
Energy: 1.3880917639370185
Energy: 1.40685702763979
Energy: 1.3877651161244144
Energy: 1.3842499079105932
Energy: 1.658295428528403
Energy: 1.3882424344055497
Energy: 1.388151196961547
Energy: 1.4068842409966076
Energy: 1.387999310363813
Energy: 1.388676796786945
Energy: 1.3531438377533946
Energy: 1.3867689039539643
Energy: 1.3848489695830144
Energy: 1.3552252322854617
Energy: 1.3869888538601292
Energy: 1.40611178603423
Energy: 1.3642573330131171
Energy: 1.3413963423317905
Energy: 1.4050385128926055
Energy: 1.286131635207842
Energy: 1.3768267147376518
Energy: 1.3413150032893988
Energy: 1.319910593763099
Energy: 1.3418310727001763
Energy: 1.367530325006495
Energy: 1.3397677959184564
Energy: 1.3412739903532562
Energy: 1.3416621419477697
Energy: 1.3141968294399073
Energy: 1.3417168058654125
Energy: 1.4010185301554476
Energy: 1.3600018212221698
Energy: 1.4008214815905737
Energy: 1.3768037456590865
Energy: 1.348972472611302
Energy: 1.383627792462884
Energy: 1.3851675505592544
Energy: 1.355581169770467
Energy: 1.3840170427027085
Energy: 1.3838300488603332
Energy: 1.3506549871037734
Energy: 1.3835371994144505
Energy: 1.383898146544532
Energy: 1.5005067790674387
Energy: 1.383420640900005
Energy: 1.4039394303727186
Energy: 1.3102350598616086
Energy: 1.3871262119864693
Energy: 1.3840543648563954
Energy: 1.355467735514323
Energy: 1.3851796620039967
Energy: 1.347517847436112
Energy: 1.3420838426019654
Energy: 1.3839772072458087
Energy: 1.3843478508413094
Energy: 1.5541491995709544
Energy: 1.3839982372598927
Energy: 1.4041093885984406
Energy: 1.342216843383234
Energy: 1.3842150844760353
Energy: 1.3856462352782268
Energy: 1.3836537120569448
Energy: 1.385592714731971
Energy: 1.3816487724209123
Energy: 1.3104868439494821
Energy: 1.372192774953497
Energy: 1.3839468691795034
Energy: 1.3667885857009887
Energy: 1.3839142387595154
Energy: 1.3409316892543817
Energy: 1.320063728339994
Energy: 1.341056517398658
Energy: 1.3848066311722478
Energy: 1.3140389036162448
Energy: 1.3406994054470982
Energy: 1.3410365836667253
Energy: 1.362947249339777
Energy: 1.340826935895458
Energy: 1.3772237260932945
Energy: 1.3142387449093393
Energy: 1.3410006429965124
Energy: 1.3403657470833465
Energy: 1.3536426083017563
Energy: 1.369959591245215
Energy: 1.3880806065563664
Energy: 1.3516909159604642
Energy: 1.3894635361443588
Energy: 1.3710863777138815
Energy: 1.355008506788825
Energy: 1.3875884828867497
Energy: 1.3878573958777203
Energy: 1.4074549517659771
Energy: 1.3879257722997806
Energy: 1.3873009930672726
Energy: 1.3534337919989685
Energy: 1.387013973858239
Energy: 1.3877796170839265
Energy: 1.387630493869018
Energy: 1.3873271909686766
Energy: 1.3847566057891187
Energy: 1.3525511207228174
Energy: 1.3837676953777065
Energy: 1.3720919185056397
Energy: 1.360207008499476
Energy: 1.3691855760642277
Energy: 1.4105094617804024
Energy: 1.340140136957359
Energy: 1.3776655496114818
Energy: 1.3415317034004135
Energy: 1.3657172165947669
Energy: 1.3411496301883736
Energy: 1.3669839514069515

minimum gb energy = 1.286131635207842 eV
minimum distance =  2.20918969232453 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.729587727656472
Energy: 1.3350138603815098
Energy: 1.3347371236628358
Energy: 1.1939267910697362
Energy: 1.335730725086344
Energy: 1.3231208221543702
Energy: 1.198026361265963
Energy: 1.31923279006487
Energy: 1.3068196076105578
Energy: 1.1949583309101008
Energy: 1.3080888089862373
Energy: 1.3109222230958506
Energy: 1.2184548955222723
Energy: 1.3069695227541993
Energy: 1.3192006936164504
Energy: 1.1914942028522908
Energy: 1.3070216731350244
Energy: 1.3062004577776003
Energy: 1.19338695604311
Energy: 1.3092732887636647
Energy: 1.3082441764660384
Energy: 1.3092886280720535
Energy: 1.3087139487059405
Energy: 1.3096675839792775
Energy: 1.1952861382955347
Energy: 1.3133027664457957
Energy: 1.3187834497034239
Energy: 1.1947287619528606
Energy: 1.3191523603693864
Energy: 1.3132249071796949
Energy: 1.1939996068091645
Energy: 1.3092789066877004
Energy: 1.319157399255813
Energy: 1.1980384169166594
Energy: 1.3205071803633899
Energy: 1.3101263264361145
Energy: 1.1937921085231604
Energy: 1.3357300905184655
Energy: 1.3227086916513051
Energy: 1.7321553572384163
Energy: 1.3349885608348016
Energy: 1.3350166795739562
Energy: 1.1937505090427407
Energy: 1.3074801468410566
Energy: 1.3100314706010738
Energy: 1.1975574785859853
Energy: 1.3201370453984074
Energy: 1.3066666239802038
Energy: 1.1911961528840596
Energy: 1.3067333757205597
Energy: 1.3063671669690147
Energy: 1.2197409835559514
Energy: 1.307059895790042
Energy: 1.3183385415583362
Energy: 1.1944054157791277
Energy: 1.308373252102223
Energy: 1.3099022911402163
Energy: 1.3113531026471572
Energy: 1.309181976032153
Energy: 1.307557026680182
Energy: 1.2199088734915162
Energy: 1.3190334465887057
Energy: 1.3132577672018952
Energy: 1.1954631634320252
Energy: 1.3132273379493793
Energy: 1.319355852004183
Energy: 1.182960185633977
Energy: 1.3191292175621572
Energy: 1.3092317690726205
Energy: 1.194951923779953
Energy: 1.308951505279393
Energy: 1.3188580413956483

minimum gb energy = 1.182960185633977 eV
minimum distance =  2.26414671168323 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.719303694241049
Energy: 1.3622004370060483
Energy: 1.359916601358035
Energy: 1.3304034936202052
Energy: 1.3618431536506908
Energy: 1.4266319123562554
Energy: 1.3538518187473245
Energy: 1.491114836687953
Energy: 1.3180353762892154
Energy: 1.3273704626006768
Energy: 1.3180278521243807
Energy: 1.3819041801678378
Energy: 1.327088007725414
Energy: 1.4460038686350607
Energy: 1.4470686474333745
Energy: 1.3600816618340408
Energy: 1.4476525517081404
Energy: 1.4298342967060158
Energy: 1.2570002984385513
Energy: 1.4455532969485574
Energy: 1.445751174398383
Energy: 1.3605710367161696
Energy: 1.4458496958272307
Energy: 1.4472195667636618
Energy: 1.3601976273798948
Energy: 1.4471387620448928
Energy: 1.446230320757667
Energy: 1.3272164913312317
Energy: 1.4472704993579055
Energy: 1.4682905949795515
Energy: 1.3276138128804602
Energy: 1.3177044824254458
Energy: 1.4475906517367723
Energy: 1.3449644485627454
Energy: 1.4315326395439183
Energy: 1.3177152811862893
Energy: 1.2959584013152121
Energy: 1.2935255803521728
Energy: 1.4120882473030043
Energy: 1.4328774656433192
Energy: 1.2937826222161735
Energy: 1.31865433652797
Energy: 1.29519889419313
Energy: 1.317647064473951
Energy: 1.4893475731307781
Energy: 1.3453000693564026
Energy: 1.4397570656946437
Energy: 1.3180150250234068
Energy: 1.3073788555947106
Energy: 1.4358309673594252
Energy: 1.4409093898231358
Energy: 1.3269903914058228
Energy: 1.4884341386717719
Energy: 1.4543822355508296
Energy: 1.3057811266988224
Energy: 1.4311339366365932
Energy: 1.4268091731520587
Energy: 1.390390933339431
Energy: 1.4266931193303125
Energy: 1.4316040476329568
Energy: 1.3030939286020573
Energy: 1.4272467840404959
Energy: 1.4255611851896708
Energy: 1.3267863880964457
Energy: 1.4260325105685416
Energy: 1.4500517136186755
Energy: 1.2949764784888804
Energy: 1.470356599738592
Energy: 1.3900166377516483
Energy: 1.36554722740725
Energy: 1.389685236556182
Energy: 1.4017214629486683
Energy: 1.3578897502560112
Energy: 1.40842350414809
Energy: 1.4074439317299066
Energy: 1.34263418853221
Energy: 1.4099422797234176
Energy: 1.4441138765884953
Energy: 1.2951241482990206
Energy: 1.482072594698622
Energy: 1.3916528687570426
Energy: 1.344539077244235
Energy: 1.3893756275449618
Energy: 1.4143420403282463
Energy: 1.3011432144895674
Energy: 1.5277362660114078
Energy: 1.3896228439337324
Energy: 1.3442182139606615
Energy: 1.391135771476773
Energy: 1.4094433231251642
Energy: 1.3892322133852821
Energy: 1.3898119518161705
Energy: 1.390474517631114
Energy: 1.3435751652192134
Energy: 1.3909042124728273
Energy: 1.4050751364617038
Energy: 1.2582080545602035
Energy: 1.388971491748978
Energy: 1.3896493463985562
Energy: 1.3640529386743907
Energy: 1.3894404797395887
Energy: 1.4056190367669474
Energy: 1.3331734796924104
Energy: 1.4272821049550766
Energy: 1.3895621767150428
Energy: 1.3271042109892517
Energy: 1.4260639224469236
Energy: 1.4187822007554447
Energy: 1.3095639748110162
Energy: 1.4421964110856609
Energy: 1.4397455306867168
Energy: 1.3963690971527118
Energy: 1.4409305854423209
Energy: 1.4411277640000184
Energy: 1.3071340419550674
Energy: 1.4285929819904943
Energy: 1.4277686051543508
Energy: 1.3266567416880053
Energy: 1.426207615080047
Energy: 1.4269730917785377
Energy: 1.2939623897400423
Energy: 1.31899956647174
Energy: 1.4888871972887132
Energy: 1.3659135823664672
Energy: 1.4886649200754782
Energy: 1.293848563089293
Energy: 1.2951666765636742
Energy: 1.319083668106965
Energy: 1.3661523627434475
Energy: 1.2552720353933002
Energy: 1.3178937810091351
Energy: 1.3189541659800326
Energy: 1.3230017166705654
Energy: 1.3178594645160386
Energy: 1.4190714313314414
Energy: 1.2544616043616565
Energy: 1.317693273565202
Energy: 1.3178366485560982
Energy: 1.328115700573798
Energy: 1.4392244995434562
Energy: 1.447573494043981
Energy: 1.3663514549079907
Energy: 1.4485819236406292
Energy: 1.3191454433603285
Energy: 1.3747987365574248
Energy: 1.4475650086080243
Energy: 1.4467351225727183
Energy: 1.3276697314756944
Energy: 1.4475903535697003
Energy: 1.4472121347020779
Energy: 1.327602232494669
Energy: 1.4469907970902574
Energy: 1.4452196047558012
Energy: 1.2570290594042977
Energy: 1.4460779073269645
Energy: 1.4478965535671489
Energy: 1.364982820928791
Energy: 1.4459744448855
Energy: 1.3196583569275415
Energy: 1.328091852623847
Energy: 1.3205341295228632
Energy: 1.4298813079836132
Energy: 1.3557162991469107
Energy: 1.3183614885259625
Energy: 1.3193178147568791
Energy: 1.3082617074353047
Energy: 1.3186912244123639
Energy: 1.3889273566900446
Energy: 1.2912225802114974
Energy: 1.3176093625089589
Energy: 1.3174697900472956
Energy: 1.2938470082789226
Energy: 1.3173893657250426
Energy: 1.4066472666249057
Energy: 1.3656041852344807
Energy: 1.4883957542142745
Energy: 1.3507453572816743
Energy: 1.2955381137631077
Energy: 1.4402411216771318
Energy: 1.3903851576586628
Energy: 1.326477687227385
Energy: 1.425711285921102
Energy: 1.4262213999721745
Energy: 1.3093603090276358
Energy: 1.4258724108734193
Energy: 1.427734507731342
Energy: 1.322235516136387
Energy: 1.4281271998695881
Energy: 1.438185862160511
Energy: 1.2945975640033351
Energy: 1.4344672003582963
Energy: 1.4430856131970573
Energy: 1.3273347638152535
Energy: 1.3912334167836964
Energy: 1.4273836717487816
Energy: 1.300637748133625
Energy: 1.430297630632029
Energy: 1.3901057677179096
Energy: 1.3440423505516217
Energy: 1.3906395205776085
Energy: 1.3902258469300903
Energy: 1.3201742002674124
Energy: 1.390369240836545
Energy: 1.3892763879662147
Energy: 1.4028091501317344
Energy: 1.3895043269919394
Energy: 1.3894557566327825
Energy: 1.3240149067220495
Energy: 1.3893033300993454
Energy: 1.389336339407341
Energy: 1.340648668479934
Energy: 1.4321005094422026
Energy: 1.4310235649681156
Energy: 1.3350835535177241
Energy: 1.5277623150039366
Energy: 1.3448056180941292
Energy: 1.4062776923983726
Energy: 1.3897678929364683
Energy: 1.4828117007939579
Energy: 1.257853983453473
Energy: 1.3888789691012258
Energy: 1.3894669840941447
Energy: 1.3427594764675441
Energy: 1.3911893023651547
Energy: 1.40598596839357
Energy: 1.3225280655720937
Energy: 1.3910376350869982
Energy: 1.3895160723820654
Energy: 1.3273921185653939
Energy: 1.391106476305615
Energy: 1.4282381404705244
Energy: 1.2993146686781782
Energy: 1.4273019617790992
Energy: 1.3189108082231382
Energy: 1.357585177812208
Energy: 1.4272609411478037
Energy: 1.4342268791557495
Energy: 1.2951399126475849
Energy: 1.4323776222349613
Energy: 1.4264980710768294
Energy: 1.3275834816680472
Energy: 1.4255346732709508
Energy: 1.42568831858612
Energy: 1.2943033870476102
Energy: 1.4261516345275693
Energy: 1.4273711295898757
Energy: 1.366253504278092
Energy: 1.4881076934684445
Energy: 1.4839167542321252
Energy: 1.2961388652080952
Energy: 1.4425234437119758
Energy: 1.3907623059844572
Energy: 1.2542271589960765
Energy: 1.3186635875994248
Energy: 1.3175816728083884
Energy: 1.2934443289120165
Energy: 1.3178561361272942
Energy: 1.4372207643213741

minimum gb energy = 1.2542271589960765 eV
minimum distance =  2.22994945792748 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.5247244772767057
Energy: 1.3336825831227679
Energy: 1.1929209848738687
Energy: 1.1413564203525353
Energy: 1.3335510226508023
Energy: 1.3962990162472937
Energy: 1.1385706131492987
Energy: 1.3887087548726185
Energy: 1.2838659285639742
Energy: 1.1370559116083943
Energy: 1.284491770188812
Energy: 1.3776982712428085
Energy: 1.1376904245319097
Energy: 1.3888104643279602
Energy: 1.3915169593019292
Energy: 1.1709200245175173
Energy: 1.3895426109197047
Energy: 1.2851994987795712
Energy: 1.1329718344825437
Energy: 1.3887370696884844
Energy: 1.3889114671207874
Energy: 1.138610160777118
Energy: 1.389006684034323
Energy: 1.1324766022203843
Energy: 1.1324869015188264
Energy: 1.3895772782535027
Energy: 1.3884317388254586
Energy: 1.1387832747555156
Energy: 1.3897273680471247
Energy: 1.3205141327404497
Energy: 1.1353117709650515
Energy: 1.2835341300263088
Energy: 1.3892505525043573
Energy: 1.1388715574276245
Energy: 1.2842137355210534
Energy: 1.2824908577057872
Energy: 1.171282028009096
Energy: 1.29871238284726
Energy: 1.300363685970969
Energy: 1.3164273607597583
Energy: 1.3007800463367827
Energy: 1.3009414641196881
Energy: 1.140385716081552
Energy: 1.283741263994742
Energy: 1.3891080119157904
Energy: 1.287411264955781
Energy: 1.285251533880554
Energy: 1.283787191320541
Energy: 1.168577974588567
Energy: 1.3926945876587127
Energy: 1.388593240762596
Energy: 1.1390963589376988
Energy: 1.3899593869875877
Energy: 1.1688424037777496
Energy: 1.1690464984537408
Energy: 1.2853598058100948
Energy: 1.3779925460518705
Energy: 1.1302044163679743
Energy: 1.2854097900902197
Energy: 1.1695799149578325
Energy: 1.136552088671745
Energy: 1.285198912124073
Energy: 1.3755206177878025
Energy: 1.1301013504822943
Energy: 1.2842575050553404
Energy: 1.1376786421425003
Energy: 1.1389458765294247
Energy: 1.3944593644835457
Energy: 1.3764237819837035
Energy: 1.138207568582942
Energy: 1.3946950004253367
Energy: 1.2853704128237766
Energy: 1.1693681690057556
Energy: 1.391562936275248
Energy: 1.3213927119184585
Energy: 1.2952959855991395
Energy: 1.3947651911854184
Energy: 1.3899391581123528
Energy: 1.1395454240853813
Energy: 1.3947984117832113
Energy: 1.3889864861062888
Energy: 1.1319236051538812
Energy: 1.3899438195579417
Energy: 1.394447333216031
Energy: 1.1383728211891184
Energy: 1.3946817820564439
Energy: 1.2857489029336395
Energy: 1.1380705571564056
Energy: 1.285713107039622
Energy: 1.3766142450982137
Energy: 1.1269100234794187
Energy: 1.2849414797216712
Energy: 1.2864677370159634
Energy: 1.1374872861652585
Energy: 1.2869754448239206
Energy: 1.3165814086942509
Energy: 1.1266714182689257
Energy: 1.2841327487916758
Energy: 1.284290213583736
Energy: 1.1702429368603144
Energy: 1.2838399904587736
Energy: 1.3767010818663916
Energy: 1.1383875106862529
Energy: 1.4001725693177332
Energy: 1.2996524773321962
Energy: 1.1682217778488178
Energy: 1.3956377405144604
Energy: 1.3765178177441069
Energy: 1.130102675594315
Energy: 1.3757223850251452
Energy: 1.2851957789119715
Energy: 1.1684962581033298
Energy: 1.2850109467978337
Energy: 1.393924654013502

minimum gb energy = 1.1266714182689257 eV
minimum distance =  2.23530356348319 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.4678736338776917
Energy: 1.2380954530904387
Energy: 1.1111040922973678
Energy: 1.1117129331966082
Energy: 1.2370592084970635
Energy: 1.0662730703575896
Energy: 1.0572573514104115
Energy: 1.31572344175095
Energy: 1.1765662344723915
Energy: 1.0542716250409985
Energy: 1.1760591491743149
Energy: 1.3375353968052193
Energy: 1.0574175002042197
Energy: 1.3118486611445361
Energy: 1.3156728420438224
Energy: 1.0551503759873837
Energy: 1.3143898618712107
Energy: 1.3383697907329088
Energy: 1.047582023805603
Energy: 1.3116166337222157
Energy: 1.3151622534848357
Energy: 1.0559579062695499
Energy: 1.3143292804173945
Energy: 1.3357039297811637
Energy: 1.0473235888270012
Energy: 1.3108638155371972
Energy: 1.3146822193186216
Energy: 1.0544376449304538
Energy: 1.3148928316594273
Energy: 1.3351055602839457
Energy: 1.0529622102919083
Energy: 1.311058551008055
Energy: 1.3165643547803676
Energy: 1.0575443630151065
Energy: 1.3111188605967639
Energy: 1.3171383932534046
Energy: 1.0550073539632718
Energy: 1.2244845511428712
Energy: 1.3146585744374648
Energy: 1.2224084290097434
Energy: 1.3155007958450806
Energy: 1.225844249594697
Energy: 1.0495951922908107
Energy: 1.3113688368449814
Energy: 1.309844981572515
Energy: 1.0720810769357072
Energy: 1.3110759430655687
Energy: 1.3123310597526934
Energy: 1.0551538873693647
Energy: 1.1762368530172407
Energy: 1.335747362363852
Energy: 1.1762176246715639
Energy: 1.31603636355084
Energy: 1.1789818439616788
Energy: 1.0549992233832948
Energy: 1.1773860972609982
Energy: 1.175995882340877
Energy: 1.2227143574930208
Energy: 1.1766493382109642
Energy: 1.1794866210911903
Energy: 1.0726143780889796
Energy: 1.1763164429498691
Energy: 1.1752143041590284
Energy: 1.0509427294981024
Energy: 1.1752080257403483
Energy: 1.1776407772521866
Energy: 1.0671399865961613
Energy: 1.1776414283122723
Energy: 1.3347662689606679
Energy: 1.2764392177578443
Energy: 1.2942467232330113
Energy: 1.0702021509673083
Energy: 1.0713644761546461
Energy: 1.1764379064850226
Energy: 1.310375488577252
Energy: 1.0643511843628135
Energy: 1.175525115575754
Energy: 1.071538809519157
Energy: 1.0551333854307006
Energy: 1.2159928013737287
Energy: 1.278466313551445
Energy: 1.3385155506099546
Energy: 1.1782890610643277
Energy: 1.054438714688262
Energy: 1.054695355867505
Energy: 1.1761424567740182
Energy: 1.3392968064933766
Energy: 1.1791344822854288
Energy: 1.316401864676886
Energy: 1.1759697177017556
Energy: 1.0570563698399802
Energy: 1.3160567504000158
Energy: 1.310884698881257
Energy: 1.2336403391959796
Energy: 1.3107239445712033
Energy: 1.3148965676959585
Energy: 1.0568220723246193
Energy: 1.3159126274306399
Energy: 1.3373815212772246
Energy: 1.2762889350424116
Energy: 1.3148503791465167
Energy: 1.2265603299137005
Energy: 1.0538218740874834
Energy: 1.313858228601235
Energy: 1.3101954723736304
Energy: 1.0492053071585488
Energy: 1.3119224562597704
Energy: 1.316847339146315
Energy: 1.057643454170372
Energy: 1.3113907850545252
Energy: 1.3152243128684276
Energy: 1.0549484011662003
Energy: 1.311475008234043
Energy: 1.314803817096996
Energy: 1.0520730290491391
Energy: 1.3154118124442529
Energy: 1.2243377100098025
Energy: 1.0539257302376652
Energy: 1.3148816731746413
Energy: 1.3121688671611609
Energy: 1.0549863494594394
Energy: 1.3107063585578884
Energy: 1.3148119224410832
Energy: 1.0506652713893245
Energy: 1.313464698309814
Energy: 1.337792666013729
Energy: 1.0541845414597204
Energy: 1.317687441748779
Energy: 1.1781379194378594
Energy: 1.0555361426366763
Energy: 1.175559951237011
Energy: 1.33680787195365
Energy: 1.0514599022145568
Energy: 1.1784876438660932
Energy: 1.1795344731073616
Energy: 1.0558587571719806
Energy: 1.179542731902366
Energy: 1.3152130230541708
Energy: 1.0512617310984782
Energy: 1.1750207991256656
Energy: 1.1773541309488913
Energy: 1.0719980334242258
Energy: 1.1746988387897135
Energy: 1.3101499128663874
Energy: 1.054447854777321
Energy: 1.3179786869701315
Energy: 1.0700801233269774
Energy: 1.0679254832478438
Energy: 1.2920846799079229
Energy: 1.3353122710556016
Energy: 1.04860869718582
Energy: 1.1763299120638289
Energy: 1.1786480054413908
Energy: 1.0738980184686313
Energy: 1.1764137578607365
Energy: 1.274711557738108

minimum gb energy = 1.0473235888270012 eV
minimum distance =  2.2165063333032 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.0425172488032384
Energy: 0.9851466632543964
Energy: 1.030116765835858
Energy: 1.0301376625673482
Energy: 0.9851690677902468
Energy: 1.2548658969563067
Energy: 0.9657360697703244
Energy: 1.2425087306493854
Energy: 1.0741630468999959
Energy: 1.0818434037364757
Energy: 1.07388646041407
Energy: 1.2381647933521618
Energy: 0.964756730440112
Energy: 1.2006198933267156
Energy: 1.2097080983999313
Energy: 1.0750399194572402
Energy: 1.2000202835333793
Energy: 1.2431667614521638
Energy: 1.1921720689855233
Energy: 1.200975870846069
Energy: 1.2107984704029295
Energy: 1.0758768511375696
Energy: 1.1992619483966735
Energy: 1.2256300268457931
Energy: 1.1917143465852509
Energy: 1.1994928452355365
Energy: 1.2076598956825768
Energy: 1.0760630471557289
Energy: 1.1997387752361017
Energy: 1.2249885950972188
Energy: 0.9649141793470325
Energy: 1.2380639022301443
Energy: 1.2002622634442344
Energy: 1.2430626888644056
Energy: 1.2401835703412323
Energy: 1.2351759841349774
Energy: 0.9658541477158091
Energy: 1.2405174090933235
Energy: 1.2374297239177243
Energy: 1.2363754556675928
Energy: 1.2388832713932472
Energy: 1.2104559651030309
Energy: 1.1927175291405105
Energy: 1.2390323874220184
Energy: 1.2402259541157257
Energy: 1.1980002235387646
Energy: 1.241341101387102
Energy: 1.2279980322690214
Energy: 0.9650806082793839
Energy: 1.2006016609500787
Energy: 1.2395719042569844
Energy: 1.227511951567885
Energy: 1.2412302515170635
Energy: 1.19954699878257
Energy: 1.0821680393461877
Energy: 1.1983963479014046
Energy: 1.2014726757406309
Energy: 1.2007884924353622
Energy: 1.198603120449558
Energy: 1.1358974444694798
Energy: 1.0830530592818841
Energy: 1.2020374604401138
Energy: 1.1988677523018059
Energy: 1.2428333749342584
Energy: 1.1991175630669273
Energy: 1.1489793612306918
Energy: 1.0831733343731622
Energy: 1.1375604433305189
Energy: 1.243610381870202
Energy: 1.2263641770320906
Energy: 1.1982584646670795
Energy: 1.0748066031999337
Energy: 1.079842211927501
Energy: 1.074106592214314
Energy: 1.1411478272554423
Energy: 1.2360096250688706
Energy: 1.0741624670985104
Energy: 1.074789281294625
Energy: 0.9842539976648211
Energy: 1.0725121521876104
Energy: 1.2017362589106348
Energy: 1.20024428041248
Energy: 1.0741668998576
Energy: 0.9841813234397632
Energy: 0.9855860289537529
Energy: 1.074436968774253
Energy: 1.2422624709422487
Energy: 1.2259753997235687
Energy: 0.98483871156003
Energy: 1.074786756163218
Energy: 0.9854986339885865
Energy: 1.0748268782010317
Energy: 1.200422799965083
Energy: 1.2320091049288735
Energy: 0.9850433055992642
Energy: 0.9851312592164877
Energy: 0.9839325466336457
Energy: 0.9858888228910286
Energy: 1.162434941186575
Energy: 1.2464681991463236
Energy: 1.0754559075965457
Energy: 0.9846148185113127
Energy: 1.0807240366087982
Energy: 1.074895095874096
Energy: 1.1983152720622645
Energy: 1.2506306816473538
Energy: 1.0735537334062804
Energy: 1.0730943858800581
Energy: 1.0833345114092112
Energy: 1.1990322147726327
Energy: 1.244378457984438
Energy: 1.2267809421559843
Energy: 1.1985606484145386
Energy: 1.0726838677434325
Energy: 1.082334363342712
Energy: 1.2014748810378622
Energy: 1.1987455323711549
Energy: 1.224430335791918
Energy: 1.1989553362536303
Energy: 1.201997605717543
Energy: 1.0813687875849305
Energy: 1.1986444516953736
Energy: 1.224239182364533
Energy: 1.2242370109910026
Energy: 1.198453815355058
Energy: 1.1354420786899493
Energy: 1.2000795941895874
Energy: 1.2002323066318543
Energy: 1.2399460787072873
Energy: 1.231528866117104
Energy: 1.2406419696623376
Energy: 1.199330405702222
Energy: 1.2005522107866329
Energy: 1.2371397302513625
Energy: 1.2402562834027773
Energy: 1.2431033972328593
Energy: 1.2416192028620758
Energy: 1.235287289110649
Energy: 1.4906353656373295
Energy: 1.2403937058637033
Energy: 1.2360840560845114
Energy: 1.2450070382980012
Energy: 1.2388666536537216
Energy: 1.2405271728926763
Energy: 0.9672183083852183
Energy: 1.2374626480499247
Energy: 1.1991133554663187
Energy: 1.2436596311441965
Energy: 1.2399846412074504
Energy: 1.2350695467809938
Energy: 1.0763903809810096
Energy: 1.1991242501272257
Energy: 1.1997356908013197
Energy: 1.1877810710996461
Energy: 1.1997359530243688
Energy: 1.1984487478327865
Energy: 1.5930440838421653
Energy: 1.2012636627386222
Energy: 1.1378351788016634
Energy: 0.98443085350318
Energy: 1.199425523623595
Energy: 1.2005883680328389
Energy: 0.9659384005448997
Energy: 1.200426339867676
Energy: 1.151666141270158
Energy: 0.9845174227101876
Energy: 1.2005232377891528
Energy: 1.2425618425680185
Energy: 0.964692996233983
Energy: 1.152557065312711
Energy: 1.0740547702699281
Energy: 1.0824271583969938
Energy: 1.0740064785564902
Energy: 1.2387003622051838
Energy: 1.075950823967841
Energy: 0.9848706856769543
Energy: 0.9653449215821917
Energy: 0.9652963419252916
Energy: 0.9862563212017642
Energy: 1.0686640764500863
Energy: 0.9633903667223669
Energy: 0.9860004600568655
Energy: 1.0735066190848717
Energy: 0.9842737428479215
Energy: 1.073361086666363
Energy: 1.2380021942222958
Energy: 0.9658611825430522
Energy: 1.1991450050037413
Energy: 0.9861022915768387
Energy: 0.9853008974436093
Energy: 1.1784120291692053
Energy: 1.2435094109367428
Energy: 0.9572688740317696
Energy: 1.075033214179278
Energy: 0.98723012028754
Energy: 0.9862672048560644
Energy: 1.0764695687519743
Energy: 1.159484445048075

minimum gb energy = 0.9572688740317696 eV
minimum distance =  2.20569792788798 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.7601881908146468
Energy: 0.8647236911169335
Energy: 0.9232284924065856
Energy: 0.9252169523637109
Energy: 0.8662204985825963
Energy: 0.8765569134095912
Energy: 1.591342352837375
Energy: 0.9911769708074296
Energy: 0.9335809525303368
Energy: 0.9378162551937825
Energy: 0.9332481011774281
Energy: 1.044504162636911
Energy: 1.4827776286499617
Energy: 1.0812895853567002
Energy: 1.0453178146541284
Energy: 0.8656277107169184
Energy: 0.9910013351465463
Energy: 1.0867828180402062
Energy: 1.635678148399789
Energy: 0.9905872750030903
Energy: 0.9833385267815837
Energy: 0.8662788522041067
Energy: 0.9865931616783863
Energy: 1.0736359412908885
Energy: 1.6357827057670054
Energy: 1.0434406028848102
Energy: 0.986921302290154
Energy: 1.061427747060195
Energy: 1.0452196760114256
Energy: 1.0723779168091836
Energy: 1.644105814732175
Energy: 1.0863544492341164
Energy: 0.9929703851997521
Energy: 1.061373740248195
Energy: 1.0903483056647394
Energy: 1.0926055876636138
Energy: 1.8334414988494407
Energy: 1.08419003819258
Energy: 1.0848583300838945
Energy: 1.0865036255824871
Energy: 1.0845170995585514
Energy: 1.0878993324407593
Energy: 1.5039963546488089
Energy: 1.0875715788424083
Energy: 0.9819191257636707
Energy: 0.9921430609689177
Energy: 1.0599100694195558
Energy: 1.0907756534404107
Energy: 1.341364108342321
Energy: 1.098885932423449
Energy: 1.086361526116961
Energy: 1.0845824247183025
Energy: 1.086418227702524
Energy: 1.0965348326924698
Energy: 1.501611990403698
Energy: 1.0954701309576715
Energy: 1.0936042884597785
Energy: 1.0949787638507764
Energy: 1.0946315882309237
Energy: 1.0943537270711938
Energy: 1.369401859761703
Energy: 1.0936599583708668
Energy: 1.094320837459626
Energy: 1.0891802578982388
Energy: 1.0943937847828986
Energy: 1.0934351640086473
Energy: 1.3847904461909082
Energy: 1.0945031434246737
Energy: 1.092992788080634
Energy: 1.0925801562758484
Energy: 1.094082385094679
Energy: 1.0954778238434975
Energy: 1.4976225952487123
Energy: 1.0855478208698017
Energy: 1.0853926955487327
Energy: 1.0971430636227786
Energy: 1.0845243538074014
Energy: 1.0856940320234063
Energy: 1.1858822599570622
Energy: 1.0891628428474531
Energy: 1.0864583711094489
Energy: 1.0938324363106628
Energy: 1.0865220467699033
Energy: 0.9951866312107387
Energy: 1.0202643047849647
Energy: 1.0846597227422996
Energy: 1.0848884782516475
Energy: 1.0944000472307231
Energy: 1.0843474315751545
Energy: 1.0849940638771096
Energy: 1.1987335966390193
Energy: 1.043977278842257
Energy: 1.088704717114182
Energy: 1.0940219203386883
Energy: 0.9972758428965905
Energy: 1.0427073465269934
Energy: 0.9402938215640364
Energy: 0.9836671598116677
Energy: 1.0857601049165249
Energy: 1.085305309849767
Energy: 0.9864688187238816
Energy: 1.0873783803024981
Energy: 0.939431104415663
Energy: 1.0446074258216171
Energy: 1.0426919138142752
Energy: 1.0987889737202396
Energy: 1.0428508250062472
Energy: 0.9868215543129334
Energy: 0.939860226128173
Energy: 0.9815075630466806
Energy: 1.0936056952037019
Energy: 1.0932331719650443
Energy: 0.9852354437633704
Energy: 0.8664698284838758
Energy: 0.9388764329327035
Energy: 0.9337714285699611
Energy: 0.8646011042277639
Energy: 1.1048268075155603
Energy: 0.9338199728794745
Energy: 0.8677002915457739
Energy: 0.8623583214707442
Energy: 0.8683170088047586
Energy: 0.985526523217098
Energy: 1.086741762634837
Energy: 0.8662189017440419
Energy: 0.8641589112169726
Energy: 0.8667174916435796
Energy: 0.9339323987005068
Energy: 1.0818193936878504
Energy: 1.0936421901265054
Energy: 0.8641706006754999
Energy: 0.9345406496705205
Energy: 0.8664122410971656
Energy: 0.9338119842548354
Energy: 0.9903591819700234
Energy: 1.0958508758121897
Energy: 1.044215370867317
Energy: 0.8669947745257106
Energy: 0.8634312131974956
Energy: 0.8642650849713457
Energy: 1.0771260323187406
Energy: 1.0769897149352878
Energy: 0.8668457385721742
Energy: 0.8644558368449432
Energy: 0.9361369402191583
Energy: 0.9340844408769938
Energy: 1.0422887450929
Energy: 1.0954428837586274
Energy: 0.9332029284892378
Energy: 0.8669693043157896
Energy: 0.9389697012685047
Energy: 0.9856518049509263
Energy: 1.0821387370681772
Energy: 1.0932783602861462
Energy: 0.9901250421722968
Energy: 0.8667424760838256
Energy: 0.9385117617702361
Energy: 1.0457616913192924
Energy: 1.0437102041955337
Energy: 1.099982075877441
Energy: 1.0440868091412163
Energy: 0.9838464100025096
Energy: 1.1851502574929123
Energy: 0.9862626357886684
Energy: 1.0750091726210254
Energy: 1.095257206652668
Energy: 0.9893839500448735
Energy: 0.9834718957357744
Energy: 1.1918890114819372
Energy: 0.9909745686434955
Energy: 1.0872756947450006
Energy: 1.0931648113656494
Energy: 1.087922137176032
Energy: 0.9913651014079816
Energy: 1.1821903529631521
Energy: 1.0908082582787804
Energy: 1.0864041630387322
Energy: 1.0954702917234842
Energy: 1.0908599028671007
Energy: 1.08458196971385
Energy: 1.2073560177975386
Energy: 1.0905520698619817
Energy: 1.0910898611528554
Energy: 1.0914882577298026
Energy: 1.0881120085748521
Energy: 0.9906513005841681
Energy: 1.444594387476166
Energy: 1.0843891145478437
Energy: 1.095444669210526
Energy: 1.0958815147590417
Energy: 1.0850563930900055
Energy: 1.0843898013786872
Energy: 1.5731006714243003
Energy: 1.0939559769836578
Energy: 1.0934751412458357
Energy: 1.0940081741732863
Energy: 1.0939523487773843
Energy: 1.0936271451295316
Energy: 1.5595296922954967
Energy: 1.093797729355189
Energy: 1.0937570817149291
Energy: 1.0759373950429767
Energy: 1.094294435406173
Energy: 1.0938863521291857
Energy: 1.447758722284164
Energy: 1.094032250820262
Energy: 1.0936625663549333
Energy: 1.0761625505751655
Energy: 1.094525010614703
Energy: 1.0931999803866264
Energy: 1.4858906146710822
Energy: 1.0864465990067382
Energy: 1.0853037747922294
Energy: 1.0852139228825821
Energy: 1.0848204580813838
Energy: 1.098937852191228
Energy: 1.5050353605964977
Energy: 1.0877245820087302
Energy: 0.994602141909905
Energy: 0.9913973326046228
Energy: 1.0922804825207968
Energy: 1.0938697961105541
Energy: 1.4840934985945453
Energy: 1.0855619692052996
Energy: 1.0907761725175495
Energy: 1.0757776406111037
Energy: 1.0902394830676054
Energy: 1.0999537766575291
Energy: 1.5778088497838936
Energy: 1.087977811603162
Energy: 0.9906672831848353
Energy: 1.0613484448031538
Energy: 0.9912748989094116
Energy: 1.086578803585042
Energy: 1.642740688877875
Energy: 1.044076895393935
Energy: 0.9849003253520566
Energy: 0.9395666863229174
Energy: 0.9859384688020835
Energy: 1.0847108945301014
Energy: 1.8480937343370587
Energy: 1.0432507657414143
Energy: 0.9857430209055099
Energy: 0.8648258713114344
Energy: 1.0449740657663744
Energy: 1.0436630402787324
Energy: 1.6460557009451173
Energy: 1.0813046712720666
Energy: 0.9827719054349744
Energy: 0.8658100526260485
Energy: 0.9857968123886841
Energy: 1.0861649000017355
Energy: 1.5969598558245437
Energy: 0.867478174424323
Energy: 0.9337872837866315
Energy: 0.9382994146839939
Energy: 0.9336883733029346
Energy: 0.9910902404688263
Energy: 1.4863154876231277
Energy: 0.8650965687205094
Energy: 0.8643307554485182
Energy: 0.8633941459344522
Energy: 0.8674180894547904
Energy: 1.0868848731247411
Energy: 1.4827124062498616
Energy: 1.0440173425951422
Energy: 0.9333253019769806
Energy: 0.8680192012997431
Energy: 0.9331999534318709
Energy: 1.081230736055752
Energy: 1.581258940894977
Energy: 1.0437984045699424
Energy: 0.9343275326897867
Energy: 0.8673511819729769
Energy: 0.934977839389592
Energy: 1.081718877899296
Energy: 1.6320938645375487
Energy: 0.8660242720507231
Energy: 0.8640019345024794
Energy: 0.8624964607051905
Energy: 0.867947864468654
Energy: 1.0764548776998961

minimum gb energy = 0.8623583214707442 eV
minimum distance =  2.24316957520682 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.25477589373872067
Energy: 0.49349565867598416
Energy: 0.40434006788302895
Energy: 0.49450168990115984
Energy: 0.49288521056269374
Energy: 0.25503309577442496
Energy: 1.3986959802766834
Energy: 0.4018746888389044
Energy: 0.40284774212398117
Energy: 0.40401394445299277
Energy: 0.4014149971274109
Energy: 0.4022907696949503
Energy: 1.3989358703818227
Energy: 0.40550643960202765
Energy: 0.40601512692825437
Energy: 0.40974576953483643
Energy: 0.4049698014218549
Energy: 0.40537590292392195
Energy: 0.2603223123355798
Energy: 0.40811840350414347
Energy: 0.4074634737490699
Energy: 0.40705120117999394
Energy: 0.4069547275763351
Energy: 0.259595272831498
Energy: 0.26121479165571565
Energy: 0.4091974549433019
Energy: 0.40923046924552337
Energy: 0.4102332158485858
Energy: 0.40834644817717636
Energy: 0.2610223706341592
Energy: 1.3994883259672979
Energy: 0.4064642334409516
Energy: 0.40572483474747223
Energy: 0.40514567224482334
Energy: 0.40534336109883623
Energy: 0.4063180011629604
Energy: 0.25724513286422
Energy: 0.40319351057815056
Energy: 0.40396382779005746
Energy: 0.40873273980910774
Energy: 0.40305081893691175
Energy: 0.40336160553454736

minimum gb energy = 0.25477589373872067 eV
minimum distance =  2.43539335610518 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.4197232481585957
Energy: 0.8466237204777698
Energy: 0.8469324404550318
Energy: 0.976832507834213
Energy: 0.84339932731757
Energy: 1.0578066880477803
Energy: 1.7942572268548578
Energy: 0.888366341234829
Energy: 0.8419188797016132
Energy: 0.842174813011101
Energy: 0.8414506004201476
Energy: 0.9624846715829581
Energy: 1.5927263743495128
Energy: 0.8419477603721913
Energy: 0.8417707362621244
Energy: 0.8463389933897393
Energy: 0.8413900780169171
Energy: 0.8443722519334327
Energy: 1.5538075362835229
Energy: 0.8429441834697402
Energy: 0.8411874255955796
Energy: 0.8430312035719265
Energy: 0.841897087971238
Energy: 1.0247918806393084
Energy: 1.554183650999386
Energy: 0.9257661013513259
Energy: 0.8840235719066032
Energy: 0.9392772039443488
Energy: 0.8424889798441889
Energy: 1.0250861931173225
Energy: 1.5857029361368367
Energy: 0.8418216572464117
Energy: 0.8419052521104649
Energy: 0.8438664539288934
Energy: 0.8447872982138226
Energy: 1.0423608319397974
Energy: 1.7953661414551383
Energy: 0.9606900806456575
Energy: 0.9275018679875682
Energy: 0.9446887531054657
Energy: 0.9285172463929919
Energy: 0.9623315040217364
Energy: 1.3756193961619223
Energy: 1.0429389148886041
Energy: 1.0463518357507762
Energy: 0.9596044550860073
Energy: 1.0420759635494623
Energy: 1.0778347944499884
Energy: 1.7986165475072338
Energy: 0.8419964031971429
Energy: 0.8422365355524897
Energy: 0.8885584448916408
Energy: 0.8423576628950983
Energy: 0.8422983812779034
Energy: 1.6378662317926123
Energy: 1.0620334338883746
Energy: 1.0436423384586508
Energy: 0.939771014957199
Energy: 1.0408072529279084
Energy: 1.0606245330010484
Energy: 1.2487747647968452
Energy: 1.0804721846651952
Energy: 1.0635015360899498
Energy: 1.0611408706455976
Energy: 1.080774499124941
Energy: 1.0813900126587164
Energy: 1.2420658751949292
Energy: 1.0794387494690283
Energy: 1.0804747519911309
Energy: 1.0423059390111924
Energy: 1.081179404250196
Energy: 1.0793349476808474
Energy: 1.7232887117039286
Energy: 1.0794537742140864
Energy: 1.0825714831461535
Energy: 1.0352458109987182
Energy: 1.0833436937411676
Energy: 1.0975091488615494
Energy: 1.7985141364538175
Energy: 1.091428858331007
Energy: 1.0806263324031786
Energy: 1.081425080083161
Energy: 1.0949310931574967
Energy: 1.0901046652408215
Energy: 1.3756227699686547
Energy: 1.0937962266359023
Energy: 1.0984430246677916
Energy: 1.0830966084305196
Energy: 1.0969242039203662
Energy: 1.0859696171748268
Energy: 1.4785500925512138
Energy: 1.0985845259742752
Energy: 1.0932886042463057
Energy: 1.0800818324702797
Energy: 1.098039484596275
Energy: 1.093135928065981
Energy: 1.4515268698490176
Energy: 1.0841797808717708
Energy: 1.0902777090060536
Energy: 1.088601464059604
Energy: 1.093052958365326
Energy: 1.0776690916820357
Energy: 1.528421831989335
Energy: 1.078637738178589
Energy: 1.0764763275337859
Energy: 1.0968380003010472
Energy: 1.076467394540865
Energy: 1.0366280164410204
Energy: 1.4733969992558162
Energy: 1.075235698140418
Energy: 1.0755476058051674
Energy: 1.0852665317511652
Energy: 1.075632302196219
Energy: 1.0784217593259673
Energy: 1.1874132455174964
Energy: 1.042480140568211
Energy: 1.0758525781238555
Energy: 1.0912724188011593
Energy: 1.07583934675289
Energy: 1.014169767400706
Energy: 1.1915166959698427
Energy: 1.0135549624397369
Energy: 1.0362113240207158
Energy: 1.091704026329832
Energy: 1.0147282027978448
Energy: 1.013328308907676
Energy: 1.1859422482043136
Energy: 0.8489608919617259
Energy: 1.0652120303514967
Energy: 1.0424632856669351
Energy: 1.0156222816895448
Energy: 0.9765564649620354
Energy: 1.002770338184104
Energy: 1.0148753638479535
Energy: 1.054816161849071
Energy: 1.0909785197172706
Energy: 1.0157691116694818
Energy: 1.0190605934307047
Energy: 0.9866480419621532
Energy: 0.9713288082927445
Energy: 1.064468391496106
Energy: 1.0408470861647958
Energy: 1.0163566448249601
Energy: 0.9712020184028669
Energy: 1.0139896483791822
Energy: 0.8347280607648607
Energy: 0.8371486911671093
Energy: 1.0898671157697812
Energy: 0.8363968195068324
Energy: 0.834585949205907
Energy: 0.9919873796520374
Energy: 0.9673558552582552
Energy: 1.0088062745147846
Energy: 1.0636594580384733
Energy: 0.8461107531237124
Energy: 0.9678699930996442
Energy: 0.8955983063606594
Energy: 0.8849381187175444
Energy: 0.8474084099468088
Energy: 1.0625543632797032
Energy: 0.8470219839410531
Energy: 0.8852047983488278
Energy: 0.9018851327334555
Energy: 0.8374932848633809
Energy: 0.8390134048915735
Energy: 1.0921472957463978
Energy: 0.8375861152896181
Energy: 0.8340812441285371
Energy: 0.8896081339002213
Energy: 0.8878846303326405
Energy: 1.0638091456506464
Energy: 1.0729061455940179
Energy: 0.9041449794265526
Energy: 0.8882664612376197
Energy: 0.9602510406863899
Energy: 0.8995211661011477
Energy: 0.9395073525133877
Energy: 1.0929718249154985
Energy: 0.8994471261528927
Energy: 0.8996169028519396
Energy: 0.9718820238511838
Energy: 0.8880388600614525
Energy: 0.9298554660253971
Energy: 0.9733691205794182
Energy: 0.8881905668301772
Energy: 0.8897204983977471
Energy: 0.957182184434354
Energy: 0.8984061978077739
Energy: 0.8992710471823051
Energy: 1.090365252577265
Energy: 0.9000419639149922
Energy: 0.8990078564672787
Energy: 0.9692014530515773
Energy: 0.9213319887991718
Energy: 1.0374721847052493
Energy: 1.0923991048253916
Energy: 0.9609344927549874
Energy: 0.9180888237883589
Energy: 1.205640423976695
Energy: 1.0370392358143479
Energy: 0.9219623213187407
Energy: 1.0646236705987882
Energy: 0.9608036641128596
Energy: 1.0371459806939565
Energy: 1.2048393760534417
Energy: 0.919325572531878
Energy: 1.038339558749962
Energy: 1.0899176806900477
Energy: 0.9594478235004014
Energy: 0.9055509146311055
Energy: 1.1718605866216576
Energy: 1.0386432259901188
Energy: 1.0791863797617813
Energy: 1.0596310805569278
Energy: 1.0790080037080878
Energy: 1.0455003408400694
Energy: 1.2153312679830945
Energy: 1.0828500163399373
Energy: 1.0815519340745148
Energy: 1.086426653881268
Energy: 1.0812086764921232
Energy: 1.0795960079091231
Energy: 1.2426981425252996
Energy: 1.084929186162962
Energy: 1.0827186560414495
Energy: 1.0880257535642013
Energy: 1.0053499251654907
Energy: 1.0420870559061095
Energy: 1.4666413832231449
Energy: 1.0803861072750096
Energy: 1.0936673448062317
Energy: 1.0936969391874505
Energy: 1.0983774045326251
Energy: 1.081656582697634
Energy: 1.3120132804896945
Energy: 1.0914302138439846
Energy: 1.0935987309025916
Energy: 1.0628269248836129
Energy: 1.0959968515166736
Energy: 1.084058336430517
Energy: 1.7027442369611663
Energy: 1.0917605837934865
Energy: 1.0907885492088476
Energy: 1.0931766930705837
Energy: 1.0935838451424793
Energy: 1.0909120704890822
Energy: 1.7325685257997303
Energy: 1.0920388413450037
Energy: 1.0932479880095158
Energy: 1.0845454347229073
Energy: 1.0938739166007367
Energy: 1.0915175684711809
Energy: 1.5748862010426579
Energy: 1.0954509595927238
Energy: 1.0810768274709703
Energy: 1.0051118523067692
Energy: 1.0814069907542838
Energy: 1.095243338042902
Energy: 1.6201415818713871
Energy: 1.0818890473678247
Energy: 1.0839795010634152
Energy: 1.0077443159289088
Energy: 1.0854505021619936
Energy: 1.0602800558080527
Energy: 2.0144683193402635
Energy: 1.0828778479878354
Energy: 1.0884240014512458
Energy: 1.0645719517844225
Energy: 1.0880245389579155
Energy: 1.0934595435583836
Energy: 1.467063197995389
Energy: 1.0817324797247099
Energy: 1.0467706186906653
Energy: 0.8503747050750787
Energy: 1.0428163533017132
Energy: 1.0813400311377155
Energy: 1.308958811818453
Energy: 0.8880222845965265
Energy: 0.8422576549722353
Energy: 0.9295655985028836
Energy: 0.8437979187142074
Energy: 1.0554152006496933
Energy: 2.0168140328112982
Energy: 1.0414430598485214
Energy: 1.0434170461461658
Energy: 0.9442672747039641
Energy: 0.964414609363524
Energy: 1.0521490850262782
Energy: 1.416912358352759
Energy: 0.9653622221986387
Energy: 0.9359676015682057
Energy: 0.9429818336188298
Energy: 0.9630681068727395
Energy: 1.0519467517946828
Energy: 1.5858096939985689
Energy: 0.8445308504773963
Energy: 0.8426723676935722
Energy: 0.9395652588455499
Energy: 0.8425985324729284
Energy: 0.8421072545063936
Energy: 1.946651621423981
Energy: 0.9052444600286891
Energy: 0.8415550176729673
Energy: 0.8440907634753391
Energy: 0.8441480341899529
Energy: 0.9631262234671443

minimum gb energy = 0.8340812441285371 eV
minimum distance =  2.27514684777539 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.6225414425021585
Energy: 0.9455858008131647
Energy: 0.9378946804365194
Energy: 1.0877918510131508
Energy: 0.9393004752064978
Energy: 1.1845872701567053
Energy: 1.275957253112252
Energy: 0.9404668950021925
Energy: 0.9345901363947827
Energy: 0.9348429273613873
Energy: 0.9350332803376233
Energy: 0.9387146385403018
Energy: 1.6084271287984064
Energy: 0.9355590955564219
Energy: 0.93571590004409
Energy: 0.9359468057413243
Energy: 0.9360240823630065
Energy: 0.9374276387830335
Energy: 1.2560879618228158
Energy: 0.9385865655777131
Energy: 0.936021227126926
Energy: 0.9384772391962252
Energy: 0.9366042703998347
Energy: 1.1831871183182594
Energy: 1.1646082171641545
Energy: 0.9370304996374454
Energy: 0.9372878977231905
Energy: 0.9375847477056525
Energy: 0.9374319700139825
Energy: 1.1827058038496896
Energy: 1.249377980726534
Energy: 0.9346241482156727
Energy: 0.9343029169240511
Energy: 0.9343610824202043
Energy: 0.9343697742385797
Energy: 0.9343794812080345
Energy: 1.276288050638609
Energy: 0.9378437999680737
Energy: 0.9389618568905866
Energy: 0.940327337130387
Energy: 0.9402909648113235
Energy: 1.0002482352179831
Energy: 1.3165022505228057
Energy: 0.9382900292724385
Energy: 1.2189977826878706
Energy: 1.079014342508128
Energy: 0.9392726404101308
Energy: 1.2153716417838198
Energy: 1.2758568659902916
Energy: 0.9379999291517535
Energy: 0.9389134406980438
Energy: 0.9276353255805165
Energy: 0.9402450792021557
Energy: 0.9389308141257062
Energy: 1.6195031883962068
Energy: 1.2354644440151066
Energy: 1.2042406436938886
Energy: 0.9426890415917827
Energy: 1.204028920242271
Energy: 1.2341226565077377
Energy: 1.3153035657286525
Energy: 1.2320961892620603
Energy: 0.9388283224329306
Energy: 1.253089357177888
Energy: 1.2314293310497881
Energy: 1.1883233270645963
Energy: 1.2716027838362725
Energy: 1.231261849737234
Energy: 1.2314528839271988
Energy: 0.9303248652614925
Energy: 1.2318586274653378
Energy: 1.1927281574668578
Energy: 1.2495266349206788
Energy: 1.1972474025608877
Energy: 1.2196843433548512
Energy: 0.9289280499034802
Energy: 1.234733977733311
Energy: 1.1683086516290553
Energy: 1.4557963026622966
Energy: 1.1698110562696882
Energy: 1.2429439080095985
Energy: 0.9233709689509221
Energy: 1.2339686062262463
Energy: 1.1692659006840525
Energy: 1.2489258516690482
Energy: 0.9405395301175372
Energy: 1.2247167611050702
Energy: 1.2350723164516373
Energy: 1.1682436730287273
Energy: 0.9376008468332452
Energy: 1.1529268074007946
Energy: 1.1675633215642454
Energy: 1.2172451720922481
Energy: 0.9296433887684374
Energy: 1.1712576027091963
Energy: 1.181220563744082
Energy: 1.1466709093549292
Energy: 0.9375556098189145
Energy: 1.222978188702603
Energy: 1.2204082641241758
Energy: 1.1674808021102354
Energy: 0.9378946444344246
Energy: 1.1624741338670574
Energy: 0.9225839600193634
Energy: 0.9284202894431695
Energy: 1.2251625353003346
Energy: 0.9226381817521006
Energy: 0.9222653792172951
Energy: 1.147164463411345
Energy: 0.9356645089685474
Energy: 0.931551987687185
Energy: 1.222979817819914
Energy: 0.931437958576261
Energy: 0.9304632236569174
Energy: 1.0092740048498017
Energy: 0.9332970275464713
Energy: 0.9323922528497968
Energy: 1.2237464673073797
Energy: 0.9322608395227014
Energy: 0.9333922014607149
Energy: 1.0103205205524952
Energy: 0.9226643116154822
Energy: 0.9239336843007254
Energy: 1.223354283088395
Energy: 0.9209981156159499
Energy: 0.9213565741597283
Energy: 1.0054776859047865
Energy: 0.9347420782225372
Energy: 1.2240173323138261
Energy: 0.9365984695611884
Energy: 0.9346776157435532
Energy: 0.9350869845241088
Energy: 1.0117870441826005
Energy: 1.0236345531904187
Energy: 1.193716080919136
Energy: 1.215950074757721
Energy: 1.0236186547304802
Energy: 1.0261788748613496
Energy: 1.1156887129229085
Energy: 0.9340371682756367
Energy: 1.224164374018895
Energy: 1.1990316927025053
Energy: 0.9347524802340688
Energy: 0.9346720715280032
Energy: 1.1032001604268786
Energy: 1.0151386800443498
Energy: 0.9333589108168492
Energy: 1.2239895986769582
Energy: 0.9218175805892711
Energy: 0.921573052113058
Energy: 1.111110926039609
Energy: 0.9212627525420987
Energy: 1.2009342313220923
Energy: 1.215193620329798
Energy: 1.2007466667820963
Energy: 0.921823764946952
Energy: 1.2502133075156152
Energy: 1.2006296426255278
Energy: 1.2002636572603569
Energy: 1.215123289584436
Energy: 1.2002670045550423
Energy: 0.9211815186697808
Energy: 1.3082856481992227
Energy: 0.9213272430792335
Energy: 1.1021412157138268
Energy: 1.2530760464433146
Energy: 1.0980250482401428
Energy: 0.9214916720372983
Energy: 1.4112140724826425
Energy: 0.9213878874996869
Energy: 1.2362472569488565
Energy: 1.2238463922366865
Energy: 1.2386240715805152
Energy: 1.0967749615759423
Energy: 1.2500901957140707
Energy: 1.2493701286945587
Energy: 1.224714977998219
Energy: 0.9331498908055473
Energy: 1.2389602731068987
Energy: 1.2383676880015977
Energy: 1.8069425616852517
Energy: 1.2414678562882957
Energy: 1.2375903287731582
Energy: 1.2520488512330674
Energy: 1.2376280856278836
Energy: 0.9286084707982978
Energy: 1.2760608394930637
Energy: 1.23606648049093
Energy: 1.1551017301125603
Energy: 1.034325855232157
Energy: 1.155628185433283
Energy: 1.236276613575123
Energy: 1.2510649100573916
Energy: 1.105199906862854
Energy: 0.9411797985559909
Energy: 0.9404349234952095
Energy: 0.9389392213819635
Energy: 1.2362753791280943
Energy: 1.2882255738307709
Energy: 1.156278139301298
Energy: 1.205036634425481
Energy: 0.9403383557807118
Energy: 1.1040860214270085
Energy: 1.214761074282319
Energy: 1.3160185944028002
Energy: 1.206381966392146
Energy: 0.9409924717546194
Energy: 1.0820288920600982
Energy: 1.1057227635066251
Energy: 1.2170623820363407
Energy: 1.2609909925234883
Energy: 0.938999455119834
Energy: 0.9375085831876042
Energy: 0.9382143709787795
Energy: 0.9384961104878548
Energy: 0.9374317892095073
Energy: 1.2740348207391197
Energy: 0.9391421418939876
Energy: 0.9346669479307413
Energy: 0.9355291062158217
Energy: 0.9362294830782824
Energy: 0.9369001366762294
Energy: 1.3213446416972394
Energy: 0.9382258518806278
Energy: 0.9382940538725948
Energy: 0.9466411156701166
Energy: 0.9391918295344812
Energy: 1.2334308684074715

minimum gb energy = 0.9209981156159499 eV
minimum distance =  2.28167600576821 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.2008031262119676
Energy: 0.988722803519151
Energy: 0.9999347613049528
Energy: 0.9860482576230952
Energy: 0.986887979791158
Energy: 0.9921837307755645
Energy: 1.3675767707623656
Energy: 0.9914940754135535
Energy: 0.9847313814782129
Energy: 0.9848084984362468
Energy: 0.9849020607682325
Energy: 1.3100971840722142
Energy: 1.36586890051288
Energy: 0.9852233672697509
Energy: 0.9866903581604769
Energy: 0.9875150718970878
Energy: 0.9865462953056385
Energy: 0.9867703342200943
Energy: 1.3844946663492526
Energy: 0.987478057755692
Energy: 0.9883311192287444
Energy: 0.9888925723462784
Energy: 0.988351174997164
Energy: 1.3112796139827112
Energy: 1.3668141403780272
Energy: 0.98706129010041
Energy: 0.9870544751971855
Energy: 0.9873972993916913
Energy: 0.9883554801593893
Energy: 1.3121392236959906
Energy: 1.3652831319878649
Energy: 0.9850589987440538
Energy: 0.9850977823382933
Energy: 0.9846465559009114
Energy: 0.9855918047589459
Energy: 1.367227574330447
Energy: 1.3675346351446644
Energy: 1.3097868106121053
Energy: 0.990372764094235
Energy: 0.9894433333073035
Energy: 0.9919778562594854
Energy: 0.9889808363811887
Energy: 1.4238525706885676
Energy: 0.9891455592803392
Energy: 1.2167878935988712
Energy: 1.1745504399733095
Energy: 1.327678241951813
Energy: 1.3114259403816315
Energy: 1.366831545021734
Energy: 0.9868648369632687
Energy: 0.9905432971019432
Energy: 0.9814822736852404
Energy: 0.9899508752435305
Energy: 0.9920563331606154
Energy: 1.3663276875735877
Energy: 1.3099331939066545
Energy: 0.9878930909001362
Energy: 0.986952483514369
Energy: 1.3107720668141016
Energy: 0.9888866327653956
Energy: 1.3660843960545406
Energy: 0.9893831837745464
Energy: 1.3101892328584703
Energy: 1.1984282711595655
Energy: 1.3098359706322895
Energy: 0.9901710998746132
Energy: 1.3663515723465531
Energy: 1.309923847649104
Energy: 1.3133369734346674
Energy: 0.9793048246899746
Energy: 1.3100948694157715
Energy: 0.9916089178619766
Energy: 1.1749448222016732
Energy: 0.9879696464246779
Energy: 0.9794581524277877
Energy: 0.9786073141870039
Energy: 1.3114645189890641
Energy: 0.9904256381244384
Energy: 1.1745755493779635
Energy: 0.9897996895912452
Energy: 0.9868154378578557
Energy: 1.0032497957098454
Energy: 0.991757435884182
Energy: 0.9871973247544603
Energy: 1.1732564158511118
Energy: 0.9849323110309964
Energy: 1.323832375925018
Energy: 0.9912738637131463
Energy: 0.9868223873808077
Energy: 0.9847502689141084
Energy: 1.0024722083963273
Energy: 0.9886993699482785
Energy: 0.9893011975788911
Energy: 0.9826011620269778
Energy: 0.9883485113113419
Energy: 1.000736566454393
Energy: 0.9842392625628533
Energy: 0.9848093825162766
Energy: 0.989223222646947
Energy: 0.9794334670537004
Energy: 0.9856882447618774
Energy: 0.9848008610706431
Energy: 0.984963818947042
Energy: 0.9856503572405207
Energy: 0.9851471393497162
Energy: 1.3350313259701354
Energy: 0.9855407160766341
Energy: 0.9856237557973475
Energy: 0.9875574555425614
Energy: 0.9873786910599938
Energy: 0.987120313698399
Energy: 0.9859286083721154
Energy: 0.9872620925852845
Energy: 0.9871810205676127
Energy: 1.174729726050679
Energy: 0.9884331543761181
Energy: 0.987603866113404
Energy: 1.3105939182800166
Energy: 0.9875147849556328
Energy: 0.9877163844889468
Energy: 1.1754215516593456
Energy: 0.9853234911797547
Energy: 0.9851915460705573
Energy: 0.985599019487413
Energy: 0.9855065687386512
Energy: 0.9852485425464449
Energy: 1.1725337904273923
Energy: 0.9904678275270886
Energy: 0.9910096503047968
Energy: 1.312003668458667
Energy: 0.9894121105056227
Energy: 0.9902546793038834
Energy: 1.1734381847971225
Energy: 0.9886984453351324
Energy: 1.3258215930483235
Energy: 0.9850867423335192
Energy: 1.3256370480596862
Energy: 0.988979826981684
Energy: 1.3602251330402586
Energy: 0.9891366811217625
Energy: 0.9876642794683149
Energy: 1.1993268329931175
Energy: 1.310585841575341
Energy: 0.9905599495569656
Energy: 1.3673443163637247
Energy: 1.309124356557728
Energy: 1.3103123274124473
Energy: 1.174098537734621
Energy: 1.3142733160394633
Energy: 0.9923683253135883
Energy: 1.3652245230616504
Energy: 1.3127172575748778
Energy: 0.9912328006450987
Energy: 0.9903943973883458
Energy: 0.9880681700437366
Energy: 1.311166315535285
Energy: 1.3605913980976256
Energy: 1.3099827845695708
Energy: 0.9914964588643241
Energy: 0.9918549210072201
Energy: 1.30987089705865
Energy: 1.3124881446835082
Energy: 1.3583728861623756
Energy: 0.9892210756958361
Energy: 0.9898392988007114
Energy: 1.1750493529809407
Energy: 0.9876341726369295
Energy: 0.9793841863271168
Energy: 1.3669588159572919
Energy: 0.9915306691529752
Energy: 0.9897971384845291
Energy: 0.9879054925725583
Energy: 0.9898547088845168
Energy: 0.9878020829987983
Energy: 1.3669194742351853
Energy: 0.9855229579707931
Energy: 0.9852781202330404
Energy: 0.9853026078445744
Energy: 0.9857471959881635
Energy: 0.9873069796340461
Energy: 1.3648571621819694
Energy: 0.9883312516810022
Energy: 0.9880556301833651
Energy: 1.002833568979038
Energy: 0.9899348232198932
Energy: 0.9795046824104144

minimum gb energy = 0.9786073141870039 eV
minimum distance =  2.30991633742894 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.8201079713156212
Energy: 1.0643586855773464
Energy: 1.0625830113777182
Energy: 1.2483034051378588
Energy: 1.0603647756205266
Energy: 1.440811489236059
Energy: 1.0616366111090798
Energy: 1.0609292407955826
Energy: 1.060479611683376
Energy: 1.060801869760499
Energy: 1.0606689823799853
Energy: 1.2989102325377884
Energy: 1.063215752567393
Energy: 1.4663136595758757
Energy: 1.0627203151932865
Energy: 1.067797144260438
Energy: 1.0621082696374706
Energy: 1.4568910277908
Energy: 1.0574774558498194
Energy: 1.0621911773119512
Energy: 1.0650488320008142
Energy: 1.063795255219355
Energy: 1.0647666613223499
Energy: 1.0607275017918305
Energy: 1.0571435801147215
Energy: 1.06197941164669
Energy: 1.062810736070397
Energy: 1.062416204245965
Energy: 1.0647348467525766
Energy: 1.058714705734267
Energy: 1.0789727663639872
Energy: 1.0685984792811785
Energy: 1.061876650301455
Energy: 1.0607253093206177
Energy: 1.0617630783750367
Energy: 1.3175655274819942
Energy: 1.0605284441919156
Energy: 1.443833603364373
Energy: 1.063538566765737
Energy: 1.0630053844747094
Energy: 1.0652176688338033
Energy: 1.3004629753763046
Energy: 1.0593656410671968
Energy: 1.4404706273053807
Energy: 1.3181253269213948
Energy: 1.062778871341967
Energy: 1.4564630029682164
Energy: 1.064116523464759
Energy: 1.0622521073079982
Energy: 1.3183091369754576
Energy: 1.0595244484517425
Energy: 1.0573376173650173
Energy: 1.4398363654192081
Energy: 1.2962342963768476
Energy: 1.083861524983403
Energy: 1.0648882946130995
Energy: 1.2955356141117074
Energy: 1.05605085258877
Energy: 1.4400981924095468
Energy: 1.0663956627828572
Energy: 1.063352694122577
Energy: 1.062496847279914
Energy: 1.4576755559025631
Energy: 1.0616440208361824
Energy: 1.0666157262277831
Energy: 1.0602272566088138
Energy: 1.0617941474726171
Energy: 1.0620409549202403
Energy: 1.062440656129321
Energy: 1.0937861410966516
Energy: 1.0620551310048236
Energy: 1.0619338892112402
Energy: 1.0610832022157173
Energy: 1.066288606747578
Energy: 1.4588378822048287
Energy: 1.0568660829437457
Energy: 1.062582143713924
Energy: 1.0660430225854236
Energy: 1.0665714622840003
Energy: 1.0675255715293597
Energy: 1.431749477217815
Energy: 1.0626718786574607
Energy: 1.0619535576950343
Energy: 1.0674637004647762
Energy: 1.0603588023137713
Energy: 1.0602407231440754
Energy: 1.4331049096942077
Energy: 1.0680270696079255
Energy: 1.06077806531362
Energy: 1.0600791147534268
Energy: 1.0598741619828265
Energy: 1.0685451167417177
Energy: 1.292022731629268
Energy: 1.0598235845830357
Energy: 1.062406315229489
Energy: 1.0611883259078598
Energy: 1.0638917490393627
Energy: 1.0644306329599373
Energy: 1.0610452474536571
Energy: 1.0652251290950971
Energy: 1.0613131590922777
Energy: 1.0606633707945818
Energy: 1.0634438641490065
Energy: 1.0638267449004484
Energy: 1.295269113422612
Energy: 1.0798219037732681
Energy: 1.0620324267313452
Energy: 1.0611614733167398
Energy: 1.0792524781560404
Energy: 1.2982886282371804
Energy: 1.2951839403743077
Energy: 1.2959670254590125
Energy: 1.4400660178894578
Energy: 1.0667080016435635
Energy: 1.0603516355554081
Energy: 1.2960637469802099
Energy: 1.2967483075165933
Energy: 1.2963807444984083
Energy: 1.439784764335681
Energy: 1.2964260810822916
Energy: 1.7869807606507273
Energy: 1.4405534690134363
Energy: 1.297973768150988
Energy: 1.0798595850101027
Energy: 1.4424886388263571
Energy: 1.05687607412795
Energy: 1.06181955409166
Energy: 1.4460796645448755
Energy: 1.0630344514327978
Energy: 1.063970161521883
Energy: 1.0653802667612007
Energy: 1.2965499633834714
Energy: 1.0823653211518935
Energy: 1.4357852787518839
Energy: 1.061692186223113
Energy: 1.0642179414036708
Energy: 1.0633605784336322
Energy: 1.0869993629445482
Energy: 1.056083405967164
Energy: 1.062424817939484
Energy: 1.0642093634328118
Energy: 1.0619555684930215
Energy: 1.0648038856239066
Energy: 1.0572200896325135

minimum gb energy = 1.05605085258877 eV
minimum distance =  2.30191505612205 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.3886544031750443
Energy: 1.144638751900965
Energy: 1.153372875058864
Energy: 1.1390470112443167
Energy: 1.1830188232641137
Energy: 1.5991253448693665
Energy: 1.1540706049997556
Energy: 1.25727131343567
Energy: 1.1405275742442378
Energy: 1.1419586476398176
Energy: 1.1402291504299107
Energy: 1.1450967548406237
Energy: 1.154831878670963
Energy: 1.4096619187951651
Energy: 1.1368753613478952
Energy: 1.138005194403458
Energy: 1.1367438412533892
Energy: 1.184950342770573
Energy: 1.1477344318343004
Energy: 1.1427539711560868
Energy: 1.1458411939333448
Energy: 1.1415141217310392
Energy: 1.1454681859945668
Energy: 1.2567300956044631
Energy: 1.1475948941745306
Energy: 1.2582477865255666
Energy: 1.144001565408074
Energy: 1.1567291073633295
Energy: 1.143843011218047
Energy: 1.2564581659761576
Energy: 1.1560507278504975
Energy: 1.2570996599139974
Energy: 1.405473321268933
Energy: 1.1342527771505255
Energy: 1.408100417389191
Energy: 1.151951893403151
Energy: 1.156343704325245
Energy: 1.1434010933253438
Energy: 1.1450344579041873
Energy: 1.154566569642695
Energy: 1.257276722623018
Energy: 1.1442051224907595
Energy: 1.1529599952065148
Energy: 1.4060699734773303
Energy: 1.1838620652691638
Energy: 1.1546011179127658
Energy: 1.407690864395802
Energy: 1.1405533311989613
Energy: 1.155515239016677
Energy: 1.1426966408608132
Energy: 1.1321592206991473
Energy: 1.1340898014826726
Energy: 1.1428404883730567
Energy: 1.1545114776672767
Energy: 1.144653976194703
Energy: 1.1425468365385543
Energy: 1.2582892234280083
Energy: 1.1357943516096474
Energy: 1.1430344906382344
Energy: 1.1426868598171922
Energy: 1.1388196895585045
Energy: 1.1379109057436043
Energy: 1.1427905099164382
Energy: 1.15843706888964
Energy: 1.137302212126092
Energy: 1.1378062584440796
Energy: 1.141410539701982
Energy: 1.1437547176880478
Energy: 1.2587967457392337
Energy: 1.1335455180539278
Energy: 1.1427521424890505
Energy: 1.1438899697926712
Energy: 1.1548574659300843
Energy: 1.1461102816966877
Energy: 1.4060296049715348
Energy: 1.1320794731452206
Energy: 1.1425499887311792
Energy: 1.1542901319053271
Energy: 1.132482246803908
Energy: 1.4102785397950321
Energy: 1.2492273885855014
Energy: 1.1548157466645907
Energy: 1.4105964859059714
Energy: 1.1321361784335922
Energy: 1.1560162561730603
Energy: 1.1443620852820147
Energy: 1.1447732110177442
Energy: 1.1546802747669986
Energy: 1.2570059785972676
Energy: 1.1443816562066882
Energy: 1.1565004991029504
Energy: 1.1527990144668765
Energy: 1.408306964269944
Energy: 1.1375859248547955
Energy: 1.4065561184385467
Energy: 1.1567261842801182
Energy: 1.1317886458788866
Energy: 1.2566279225276689
Energy: 1.1438723522799525
Energy: 1.1554397083069154
Energy: 1.1433439066408528
Energy: 1.1359112792401107

minimum gb energy = 1.1317886458788866 eV
minimum distance =  2.28719100929962 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.3971823196805293
Energy: 1.1900162620942578
Energy: 1.188430784605562
Energy: 1.1883761772977754
Energy: 1.1892963210563583
Energy: 1.1855595770917082
Energy: 1.2017401457809085
Energy: 1.1896165903484106
Energy: 1.1930839788525598
Energy: 1.1949489136439035
Energy: 1.192889965580625
Energy: 1.2371145338637837
Energy: 1.1868452240373024
Energy: 1.3549704498272916
Energy: 1.191766988596785
Energy: 1.19253487183231
Energy: 1.191511703273681
Energy: 1.1359139267861162
Energy: 1.8490923970456303
Energy: 1.5421943921938157
Energy: 1.1902993467665366
Energy: 1.183632998256989
Energy: 1.1895027320701532
Energy: 1.3594532756521918
Energy: 1.1841994486554737
Energy: 1.3565352781903686
Energy: 1.3595250295665957
Energy: 1.1839770295087952
Energy: 1.3572349752988324
Energy: 1.3609514296737217
Energy: 1.18702036984892
Energy: 1.1893469729796937
Energy: 1.1321920565797856
Energy: 1.1428435206559406
Energy: 1.3595123664574982
Energy: 1.188125731901096
Energy: 1.196178663679034
Energy: 1.193417549026386
Energy: 1.3575148307361686
Energy: 1.133582504125359
Energy: 1.1851625477599255
Energy: 1.1937894091270775
Energy: 1.192010153347021
Energy: 1.191285477492892
Energy: 1.1888856213366394
Energy: 1.183525324639354
Energy: 1.1910849297813988
Energy: 1.191176677976346
Energy: 1.1926474382905667
Energy: 1.1962915926080826
Energy: 1.3658434659362957
Energy: 1.3590785183183698
Energy: 1.1940958229174388
Energy: 1.1957843326887925
Energy: 1.4341605590350508
Energy: 1.1908534791865073
Energy: 1.1893179652678927
Energy: 1.2752507147526628
Energy: 1.1893848130487692
Energy: 1.1907407065894087
Energy: 1.4579984313270125
Energy: 1.188567433547955
Energy: 1.1399337862706012
Energy: 1.186194881611371
Energy: 1.1894059869161655
Energy: 1.189658037693466
Energy: 1.436853972959377
Energy: 1.1864161872036036
Energy: 1.1351040072234087
Energy: 1.1355312171667196
Energy: 1.367927176019128
Energy: 1.1941425879452081
Energy: 1.273515878412716
Energy: 1.3664780574288966
Energy: 1.1337975306822625
Energy: 1.1411425968554294
Energy: 1.3680196551380304
Energy: 1.1884550696049725
Energy: 2.112344086388668
Energy: 1.1394699292680086
Energy: 1.1387301891581891
Energy: 1.1352377296886498
Energy: 1.1409493730177334
Energy: 1.5435999240162694
Energy: 1.1914759271622957
Energy: 1.1373258132826267
Energy: 1.1364615975285437
Energy: 1.1388233012487259
Energy: 1.1374322833140824
Energy: 1.3751599081798775
Energy: 1.268524410249428
Energy: 1.134120760160878
Energy: 1.1356397166187242
Energy: 1.1357955460140448
Energy: 1.1353371199495395
Energy: 1.1594640842579351
Energy: 1.3850202097215547
Energy: 1.3679649189917686
Energy: 1.1401024074718074
Energy: 1.1381178715448377
Energy: 1.1399488576900203
Energy: 1.3586668108881632
Energy: 1.2651101706992456
Energy: 1.3674991542039807
Energy: 1.1386806722777798
Energy: 1.158423999248303
Energy: 1.1382319278627413
Energy: 1.3591091300807459
Energy: 1.2158357970251636
Energy: 1.2843819674376196
Energy: 1.3720497584276132
Energy: 1.1375651286426465
Energy: 1.3715660155108433
Energy: 1.1828481579399763
Energy: 1.4315205847524173
Energy: 1.1905941881105222
Energy: 1.1381826360483827
Energy: 1.1600071206886926
Energy: 1.3673172426604923
Energy: 1.191493088178806
Energy: 1.4888069400404593
Energy: 1.1886690414884353
Energy: 1.550554486840181
Energy: 1.1828939921661328
Energy: 1.1914735083561703
Energy: 1.1895635748372
Energy: 1.2274052804396782
Energy: 1.1952031196408526
Energy: 1.1329418940442975
Energy: 1.5379328407789696
Energy: 1.1906407619964474
Energy: 1.194988400091599
Energy: 1.199234083280323
Energy: 1.1910635096454334
Energy: 1.1897222705762012
Energy: 1.2211275236046362
Energy: 1.1917941586464649
Energy: 1.1913768528334514
Energy: 1.1900382736274342
Energy: 1.189928476409951
Energy: 1.2274152579614601
Energy: 1.1873276390244638
Energy: 1.1902709824177033
Energy: 1.1902602641906852
Energy: 1.1890474379759917
Energy: 1.1858631421895955
Energy: 1.357218997675558
Energy: 1.1405375023014348
Energy: 1.3566158681729916
Energy: 1.194355324090926
Energy: 1.1829149650838962
Energy: 1.358846746105821
Energy: 1.3550696530803699
Energy: 1.136235584156782
Energy: 1.358234909990094
Energy: 1.1845043960556318
Energy: 1.140258147635352
Energy: 1.3586814341668594
Energy: 1.1919914429238208
Energy: 1.18297173972482
Energy: 1.3579588466770365
Energy: 1.136380847942619
Energy: 1.132350993468049
Energy: 1.2385188577205453
Energy: 1.1938012839961507
Energy: 1.1928983410457994
Energy: 1.1944332687835368
Energy: 1.3581982997332909
Energy: 1.1900458880718066
Energy: 1.1885929577631082
Energy: 1.1900641252149635
Energy: 1.1897800161717953
Energy: 1.1898236539021685
Energy: 1.1371551874112893
Energy: 1.2668507951689258
Energy: 1.189548966456562
Energy: 1.1921161206718616
Energy: 1.2021505039049685
Energy: 1.1929402698767997
Energy: 1.36603082522955
Energy: 1.3850314612216659
Energy: 1.190418617623683
Energy: 1.1948682119301846
Energy: 1.2273652593576578
Energy: 1.1951266580705424
Energy: 1.3661891104220854
Energy: 1.1830221218919907
Energy: 1.189129457383912
Energy: 1.188906143640315
Energy: 1.1903795117329898
Energy: 1.1887908624541033
Energy: 1.1379183163133586
Energy: 1.3969986491517579
Energy: 1.138990413577641
Energy: 1.1920515970283805
Energy: 1.1960341988703571
Energy: 1.1910239668463196
Energy: 1.1383528667370886
Energy: 1.3808545636513492
Energy: 1.372805905946234
Energy: 1.1907381263607397
Energy: 1.2702422882289133
Energy: 1.3709775497226977
Energy: 1.1324928224616744
Energy: 1.137347119342902
Energy: 1.1392639317992792
Energy: 1.5418304553763036
Energy: 1.1368985317362406
Energy: 1.3693345380757826
Energy: 1.1392903060305317
Energy: 1.1522129693549772
Energy: 1.139142515684904
Energy: 1.3673529099678605
Energy: 1.1333023151032116
Energy: 1.139413561913526
Energy: 1.1387284061977332
Energy: 1.1353849052717397
Energy: 1.1354002392577645
Energy: 1.3724237924027918
Energy: 1.2689986266615572
Energy: 1.1355997013062216
Energy: 1.135741212305963
Energy: 1.1392051879217624
Energy: 1.1379917561189379
Energy: 1.366749851892644
Energy: 1.1995458134303827
Energy: 1.1388853712053149
Energy: 1.1377529819756333
Energy: 1.1350661850386632
Energy: 1.1612359968953605
Energy: 1.3539391288044051
Energy: 1.3602474241547904
Energy: 1.1402761131206385
Energy: 1.1355734178409658
Energy: 1.6170390912987076
Energy: 1.3663847199177988
Energy: 1.1348296308845336
Energy: 1.2639857833396446
Energy: 1.3667431234769527
Energy: 1.1360112610522966
Energy: 1.3937409833607088
Energy: 1.134753432627419
Energy: 1.187150402833273
Energy: 1.1837953450919014
Energy: 1.1885221944008284
Energy: 1.1385883522882536
Energy: 1.1341965846714743
Energy: 1.4210470503458688
Energy: 1.1888326640717868
Energy: 1.1899359120802155
Energy: 1.188421076392261
Energy: 1.1404877854534603
Energy: 1.447766076329772
Energy: 1.1895564716709168
Energy: 1.191050336512684
Energy: 1.1958943985173864
Energy: 1.1900404375653912
Energy: 1.1317998769540019

minimum gb energy = 1.1317998769540019 eV
minimum distance =  2.27847195294128 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.0296806947065145
Energy: 1.1929776700408594
Energy: 1.1910684235290059
Energy: 1.3695254410461974
Energy: 1.1909701952249547
Energy: 1.1275775748153272
Energy: 1.1991889978034262
Energy: 1.18866851623982
Energy: 1.1877463738017582
Energy: 1.193514158090814
Energy: 1.1878645325803519
Energy: 1.1886196561253755
Energy: 1.2177932727692422
Energy: 1.1879516252022453
Energy: 1.1860939706935616
Energy: 1.1886629536678006
Energy: 1.1864199674913418
Energy: 1.2109785405563072
Energy: 1.5808476242394747
Energy: 1.4035780584011806
Energy: 1.193830441140168
Energy: 1.1945238139850676
Energy: 1.1793072221871614
Energy: 1.4052400760271762
Energy: 1.191017353240291
Energy: 1.4056606623666474
Energy: 1.3988297389360707
Energy: 1.106436086847418
Energy: 1.4011953153604235
Energy: 1.405852598545453
Energy: 1.1905459634625855
Energy: 1.1805248081006003
Energy: 1.1034513539816027
Energy: 1.1072940430357372
Energy: 1.1867754390898013
Energy: 1.1936830174070443
Energy: 1.192694809360574
Energy: 1.1890083369169404
Energy: 1.3986939331184745
Energy: 1.2098417883574508
Energy: 1.17608972100175
Energy: 1.189312227683431
Energy: 1.1875354029423375
Energy: 1.1881897845036375
Energy: 1.1894417218388826
Energy: 1.188973399870356
Energy: 1.1873472432115284
Energy: 1.1885826101649293
Energy: 1.18692342559231
Energy: 1.1938914342524156
Energy: 1.4058637308650797
Energy: 1.1933774630702252
Energy: 1.1907782031826684
Energy: 1.194084088572741
Energy: 1.2128374616371262
Energy: 1.1908449126937763
Energy: 1.189214010943575
Energy: 1.2100705111336088
Energy: 1.1890177354999638
Energy: 1.1910973408651906
Energy: 1.2662808156849163
Energy: 1.1855629374314907
Energy: 1.1799701043538162
Energy: 1.2200719017565083
Energy: 1.3390496770603837
Energy: 1.1882977028462811
Energy: 1.2104694529792686
Energy: 1.1784109418546889
Energy: 1.189879774924072
Energy: 1.1965842412166514
Energy: 1.1867901478141838
Energy: 1.1928507049614927
Energy: 1.2221734775035415
Energy: 1.1884429664517877
Energy: 1.1891306224986062
Energy: 1.1926278214243473
Energy: 1.1864141795672074
Energy: 1.1854751164944504
Energy: 1.8783688536735688
Energy: 1.1781293374738968
Energy: 1.2102722902436487
Energy: 1.2184075973619974
Energy: 1.192113510115653
Energy: 1.1028476786314894
Energy: 1.3117786884778595
Energy: 1.1885544972714677
Energy: 1.1889437104104548
Energy: 1.1976717336304736
Energy: 1.189159479564979
Energy: 1.1791782812215565
Energy: 1.218839204113014
Energy: 1.1881534732598185
Energy: 1.1856127403348733
Energy: 1.1868562247159937
Energy: 1.185634804655014
Energy: 1.2116243130845437
Energy: 1.5795862463424728
Energy: 1.406641813981769
Energy: 1.1925222229256092
Energy: 1.189282162081558
Energy: 1.1806185942403025
Energy: 1.4048036042055279
Energy: 1.2141045508450492
Energy: 1.405358913136489
Energy: 1.399688373230733
Energy: 1.2107196810963416
Energy: 1.4014869214100854
Energy: 1.405085553446858
Energy: 1.1746945655501269
Energy: 1.1926575025992816
Energy: 1.103145336371502
Energy: 1.107614517710698
Energy: 1.1821980529906575
Energy: 1.1795599840815878
Energy: 1.1963346655167955
Energy: 1.1887498464011792
Energy: 1.3988406227374914
Energy: 1.2017070081088956
Energy: 1.1768954918564896
Energy: 1.1905315681623416
Energy: 1.185933948045267
Energy: 1.1879646235878685
Energy: 1.1896463684017209
Energy: 1.1887576441402816
Energy: 1.1867727656526923
Energy: 1.1877378378624475
Energy: 1.2099535105447579
Energy: 1.19280005886841
Energy: 1.4047351325329183
Energy: 1.4114025103522507
Energy: 1.1922282652374263
Energy: 1.1930080469558944
Energy: 1.2116491592905319
Energy: 1.1904678203637935
Energy: 1.1921479986890757
Energy: 1.186826343419689
Energy: 1.1887665763350537
Energy: 1.1907881747972284
Energy: 1.2657435729955462
Energy: 1.1859375028996437
Energy: 1.1783580470216228
Energy: 1.2214548422079627
Energy: 1.1856653467229128
Energy: 1.187553681664631
Energy: 1.209738262815069
Energy: 1.1904594574125549
Energy: 1.1908012083355914
Energy: 1.1999047361331499
Energy: 1.1889592695539677
Energy: 1.191580111671621
Energy: 1.2199602943541763
Energy: 1.1909327955070945
Energy: 1.1886127540949336
Energy: 1.1905465682380563
Energy: 1.186065453148011
Energy: 1.1812682131427692
Energy: 1.877782014738416
Energy: 1.1917553015668274
Energy: 1.2119929922817403
Energy: 1.218172526895437
Energy: 1.191867800924594
Energy: 1.1032129308592888

minimum gb energy = 1.1028476786314894 eV
minimum distance =  2.30178574996493 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.2734100642146466
Energy: 1.2274496684126668
Energy: 1.2273167430365526
Energy: 1.2300035905575264
Energy: 1.2271062338763576
Energy: 1.6374098849191412
Energy: 1.1574330900917436
Energy: 1.2280616412174565
Energy: 1.228377061513828
Energy: 1.2271013469975913
Energy: 1.2265363209276292
Energy: 1.224447929079129
Energy: 1.2922919851764456
Energy: 1.2696015367209077
Energy: 1.2261466282934537
Energy: 1.2307415372289556
Energy: 1.2265418739254819
Energy: 1.1621955480600352
Energy: 1.2823845425885183
Energy: 1.421059093530953
Energy: 1.2221562022141501
Energy: 1.2205964261664903
Energy: 1.2220445014470036
Energy: 1.1603505523928712
Energy: 1.5566350253624237
Energy: 1.1610063159544528
Energy: 1.2777966869875248
Energy: 1.2810811325295575
Energy: 1.2793335861433994
Energy: 1.1614262895919025
Energy: 1.1598923177203246
Energy: 1.1605346682763498
Energy: 1.1612189090968403
Energy: 1.162307197197339
Energy: 1.1606312957101115
Energy: 1.1623126349262778
Energy: 1.1694319174633672
Energy: 1.1611936188922618
Energy: 1.2748839621486374
Energy: 1.228411557475176
Energy: 1.1596523261029164
Energy: 1.1607468411690054
Energy: 1.1653616464593444
Energy: 1.160156014420503
Energy: 1.26868977903219
Energy: 1.2270803506233654
Energy: 1.161373547734167
Energy: 1.1599741399949586
Energy: 1.158737012536465
Energy: 1.1574477850923268
Energy: 1.1609031164799422
Energy: 1.15797208426506
Energy: 1.1605797979287205
Energy: 1.1598763266479193
Energy: 1.6768169954735774
Energy: 1.16228964614906
Energy: 1.4376491194107281
Energy: 1.3396582126263599
Energy: 1.2800620095528228
Energy: 1.161936416414179
Energy: 1.2747059599732447
Energy: 1.4198297657043362
Energy: 1.2209623174019881
Energy: 1.2194348540577358
Energy: 1.26746113060635
Energy: 1.1581350494960596
Energy: 1.2604159524667935
Energy: 1.2740213676734042
Energy: 1.227154266432424
Energy: 1.2335663613899512
Energy: 1.2273472539515802
Energy: 1.162227441971538
Energy: 1.1583428869387986
Energy: 1.2275452872278205
Energy: 1.2275196620955278
Energy: 1.2338662316819646
Energy: 1.2275386303823044
Energy: 1.425085096536875
Energy: 1.544487631930136
Energy: 1.2240783478288586
Energy: 1.2212217378963757
Energy: 1.2214588014757763
Energy: 1.2216763631799117
Energy: 1.289838403470674
Energy: 1.2221588075365581
Energy: 1.2252945551018852
Energy: 1.2285100466617884
Energy: 1.2259180060038266
Energy: 1.2273882432344436
Energy: 1.216720704627478
Energy: 1.2690162803849534
Energy: 1.2234522658676816
Energy: 1.2266045001498813
Energy: 1.2290507094251386
Energy: 1.22642157826762
Energy: 1.2210972336637944
Energy: 1.5468232754329863
Energy: 1.2271510109104176
Energy: 1.2242631268120754
Energy: 1.2805228493513832
Energy: 1.3878028431382008
Energy: 1.2272466694985338
Energy: 1.5473636051970345
Energy: 1.2268392779793629
Energy: 1.2245730471306935
Energy: 1.269360959012231
Energy: 1.2294246069695727
Energy: 1.2287331619693287
Energy: 1.2284357212747767
Energy: 1.227426823311762
Energy: 1.223465598805841
Energy: 1.6373035619282592
Energy: 1.2271765788673736
Energy: 1.227604153179223
Energy: 1.2361655557414266
Energy: 1.228399837936807
Energy: 1.2233425650197343
Energy: 1.1586602064929732
Energy: 1.2274037388694912
Energy: 1.2282625429985201
Energy: 1.2293529063881736
Energy: 1.2261713764980964
Energy: 1.1634085387666095
Energy: 1.2927215928177995
Energy: 1.2182044122738456
Energy: 1.2261863704498759
Energy: 1.2242219312559004
Energy: 1.219241882339191
Energy: 1.1612427524385898
Energy: 1.1600206182219317
Energy: 1.162499838094474
Energy: 1.220881382901399
Energy: 1.290949854179024
Energy: 1.2795716588418342
Energy: 1.161397063281394
Energy: 1.2261615708476639
Energy: 1.1603472116600808
Energy: 1.4391988178008175
Energy: 1.7897799323898846
Energy: 1.1605213736332218
Energy: 1.1591728597396214
Energy: 1.1598473232924726
Energy: 1.1602221321158228
Energy: 1.1602535035741512
Energy: 1.2260148471788033
Energy: 1.1599605966492261
Energy: 1.1608798422242725
Energy: 1.1593386051896426
Energy: 1.1613309539779761
Energy: 1.2791107046971721
Energy: 1.2251150418667167
Energy: 1.1600161102431614
Energy: 1.1601322240639507
Energy: 1.1663436660880724
Energy: 1.1603743494182777
Energy: 1.2923262590722469
Energy: 1.5444229762852006
Energy: 1.1583917156410206
Energy: 1.1572379028101647
Energy: 1.158683010099438
Energy: 1.1609173403593045
Energy: 1.155852443688138
Energy: 1.4337192979305382
Energy: 1.2731803735281437
Energy: 1.162240961825452
Energy: 1.2278403452580093
Energy: 1.161182616613425
Energy: 1.43781070940054
Energy: 1.2195402058397489
Energy: 1.2262411033337492
Energy: 1.1622028855788946
Energy: 1.1650005346183387
Energy: 1.1624505088318207
Energy: 1.2210957928488058
Energy: 1.2324009001263045
Energy: 1.2271721336122616
Energy: 1.1634737173041372
Energy: 1.2268968967659317
Energy: 1.2189764554812093
Energy: 1.227012498873629
Energy: 1.232801931031128
Energy: 1.2274526574826967
Energy: 1.2242446690472164
Energy: 1.1605364385194197
Energy: 1.2305391441854752
Energy: 1.2275182760267582
Energy: 1.2212232856717573
Energy: 1.2208854259450357
Energy: 1.1588579850216654
Energy: 1.1576852211329791
Energy: 1.2220469164617984
Energy: 1.2207079824276308
Energy: 1.5565918855273555
Energy: 1.2279697464935215
Energy: 1.2251402243469296
Energy: 1.2141244209951565
Energy: 1.2296571639923946
Energy: 1.2288046208401007
Energy: 1.4228115744182583
Energy: 1.2267675280534773
Energy: 1.2215266938572769
Energy: 1.270840243794736
Energy: 1.3856392238407265
Energy: 1.2272530705190035
Energy: 1.292840002846511
Energy: 1.223474443791093
Energy: 1.2279792632071551
Energy: 1.2280558663697174
Energy: 1.2269191683288858
Energy: 1.2293004280742648
Energy: 1.2693954468495503
Energy: 1.224369601489762
Energy: 1.2266140030591655
Energy: 1.2263956468221906
Energy: 1.2262890378862508
Energy: 1.2247475456236796

minimum gb energy = 1.155852443688138 eV
minimum distance =  2.23900662988686 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.1776009245543932
Energy: 1.3171439916025853
Energy: 1.1809175280452036
Energy: 1.1827246055743459
Energy: 1.499990943591194
Energy: 1.177564293165676
Energy: 1.1813690683494988
Energy: 1.3203670358992017
Energy: 1.1801914961499238
Energy: 1.180526965080878
Energy: 1.1810283188186212
Energy: 1.3164314669441923
Energy: 1.3180056039004577
Energy: 1.316205426762396
Energy: 1.1804992029583348
Energy: 1.1805730680873836
Energy: 1.1803727213163688
Energy: 1.3166530840207182
Energy: 1.3165099269173766
Energy: 1.3163343365264097
Energy: 1.1807573992655087
Energy: 1.1807901484889318
Energy: 1.3168020097754753
Energy: 1.3164928318752014
Energy: 1.316193352954657
Energy: 1.3190561982895206
Energy: 1.18092715718773
Energy: 1.1778365855737924
Energy: 1.3183641657788798
Energy: 1.3165971785233945
Energy: 1.1815760254757939
Energy: 1.1802007978296376
Energy: 1.1777604255207637
Energy: 1.1806353058202144
Energy: 1.3161778675758669
Energy: 1.1808014534243159
Energy: 1.180128736186616
Energy: 1.180649047164585
Energy: 1.3161872667109864
Energy: 1.1808728596984555
Energy: 1.3187620226763974
Energy: 1.1804467581792493
Energy: 1.1800835298510468
Energy: 1.181183198678777
Energy: 1.3164591876386786
Energy: 1.3162580583958943
Energy: 1.3165525585243623
Energy: 1.1807275796807748
Energy: 1.1820586697946314
Energy: 1.1813576953760674
Energy: 1.3166275167354216
Energy: 1.3167770121937843
Energy: 1.3164983218161765
Energy: 1.1814086456587511
Energy: 1.1777760761313358
Energy: 1.1799741633425898
Energy: 1.3164040111841147
Energy: 1.3162396658966646
Energy: 1.3177329494811842
Energy: 1.1806855554376092

minimum gb energy = 1.177564293165676 eV
minimum distance =  2.25167775465056 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.568859599289788
Energy: 1.17295574328757
Energy: 1.1570919550721062
Energy: 1.159151965259442
Energy: 1.1561870637726783
Energy: 1.1534352218141954
Energy: 1.156554736220674
Energy: 1.2708604936623693
Energy: 1.279538113634799
Energy: 1.3990097678471551
Energy: 1.279275771805177
Energy: 1.160351979959054
Energy: 1.3990233048723
Energy: 1.2721466291493437
Energy: 1.157810490396875
Energy: 1.3989328189469594
Energy: 1.1579602300262495
Energy: 1.2823659673461263
Energy: 1.4007279889281206
Energy: 1.1594781740429159
Energy: 1.1582106287163187
Energy: 1.1597210037518246
Energy: 1.2724303847661993
Energy: 1.1590630516270348
Energy: 1.3999298722423112
Energy: 1.159608613616528
Energy: 1.1599378596107977
Energy: 1.3581934467026002
Energy: 1.1598610241288572
Energy: 1.3998167918397566
Energy: 1.2217753436993055
Energy: 1.2191891375267148
Energy: 1.2510598624944493
Energy: 1.1380218218556037
Energy: 1.1599860617445457
Energy: 1.2197368430842952
Energy: 1.5001786370518668
Energy: 1.1596979769336009
Energy: 1.2348057065566174
Energy: 1.1552223324499962
Energy: 1.315253279430459
Energy: 1.3991857447244835
Energy: 1.4975928665013363
Energy: 1.157310239290696
Energy: 1.1595382158508298
Energy: 1.1597357740667629
Energy: 1.1608967815875788
Energy: 1.155786333753349
Energy: 1.1282807956262324
Energy: 1.1603972010683021
Energy: 1.1588095728319703
Energy: 1.1614017706817585
Energy: 1.1589780357456618
Energy: 1.128140634544551
Energy: 1.3271275513030547
Energy: 1.1592010780225837
Energy: 1.1597257471019171
Energy: 1.158941294297624
Energy: 1.160100844068632
Energy: 1.253224624935352
Energy: 1.2795032056745217
Energy: 1.3492896193285604
Energy: 1.1573850465907134
Energy: 1.157576096864259
Energy: 1.323966968425212
Energy: 1.2804367858080807
Energy: 1.1286570221945835
Energy: 1.2469797169779318
Energy: 1.1593037526195058
Energy: 1.1545625042689036
Energy: 1.159518154078821
Energy: 1.1287506698815912
Energy: 1.1283090879518378
Energy: 1.2522580969431898
Energy: 1.1595237448044236
Energy: 1.1546568721889585
Energy: 1.1281029042434283
Energy: 1.2506937887370362
Energy: 1.249652180416288
Energy: 1.12684691433867
Energy: 1.2825978576506492
Energy: 1.2322445800629345
Energy: 1.128039760170743
Energy: 1.2587012795292833
Energy: 1.2530892143650254
Energy: 1.127126197837364
Energy: 1.1601869803211193
Energy: 1.159472801152827
Energy: 1.3145376515875355
Energy: 1.1270155421598347
Energy: 1.1281829718144543
Energy: 1.251690575585339
Energy: 1.160815944851264
Energy: 1.1617720811467958
Energy: 1.1605047542852671
Energy: 1.1287310074198451
Energy: 1.1592203551674414
Energy: 1.3191531716152516
Energy: 1.1579234103511042
Energy: 1.2338123219251282
Energy: 1.1583519991516422
Energy: 1.1271078104515493
Energy: 1.15971739905314
Energy: 1.311786046220374
Energy: 1.1614835249277033
Energy: 1.158143669483491
Energy: 1.161718352320318
Energy: 1.1270381588069565
Energy: 1.127841564739623
Energy: 1.3125284717576102
Energy: 1.1588655315972094
Energy: 1.1615555417118162
Energy: 1.160237424611511
Energy: 1.1299490217724
Energy: 1.4880528699675484
Energy: 1.1282189868158718
Energy: 1.1601658557288956
Energy: 1.1594167770846695
Energy: 1.3117823931600574
Energy: 1.1274124606350924
Energy: 1.4855288647348628
Energy: 1.1283706476917321
Energy: 1.2432908141401822
Energy: 1.1587918937127963
Energy: 1.1274107613161284
Energy: 1.4852124183721633
Energy: 1.127351582566593
Energy: 1.1271269901539431
Energy: 1.137998514449247
Energy: 1.1377610716516635
Energy: 1.1281773269380058
Energy: 1.1276512893546502
Energy: 1.411229037252444
Energy: 1.4873040659147438
Energy: 1.2503288726509016
Energy: 1.2076554649970974
Energy: 1.359837841614088
Energy: 1.4850313635044665
Energy: 1.49947577872456
Energy: 1.1285321538745596
Energy: 1.1581200670693863
Energy: 1.1578713885390055
Energy: 1.1586260782137177
Energy: 1.4024269854957776
Energy: 1.591459416609194
Energy: 1.2464798030437165
Energy: 1.1589777178819631
Energy: 1.1588230765453433
Energy: 1.159239983702252
Energy: 1.5574327580760443
Energy: 1.2066484236233264
Energy: 1.159934363376825
Energy: 1.1592385232215865
Energy: 1.1585166431853138
Energy: 1.1596988696057864
Energy: 1.160841864698868
Energy: 1.2822855787883052
Energy: 1.3479559003844241
Energy: 1.158594536553267
Energy: 1.1575795245565141
Energy: 1.1575342371249722
Energy: 1.1540177832560699
Energy: 1.2188245837554592
Energy: 1.1554272779985364
Energy: 1.1593144363128454
Energy: 1.2414804334209077
Energy: 1.1594547238854462
Energy: 1.1585037109436938
Energy: 1.1571941931346998
Energy: 1.158366283086092
Energy: 1.1544610211275141
Energy: 1.1553531111700048
Energy: 1.1612151635226657
Energy: 1.1578754069091992
Energy: 1.157788767351093
Energy: 1.1587172078496495
Energy: 1.1605257296386098
Energy: 1.2233348899821894
Energy: 1.1602455177195967
Energy: 1.158393143846131
Energy: 1.1596661528773655
Energy: 1.159205471333051
Energy: 1.2491742271644168
Energy: 1.1593825079842108
Energy: 1.1592229466692237
Energy: 1.158957648375742
Energy: 1.1606745632327067
Energy: 1.1620809015985465
Energy: 1.15797248146227
Energy: 1.4173154031896882
Energy: 1.249568345662917
Energy: 1.1615355108136052
Energy: 1.1359199653287604
Energy: 1.3326779665752742
Energy: 1.3932829124186357
Energy: 1.3995628318043294
Energy: 1.1596329192668255
Energy: 1.3482988892364511

minimum gb energy = 1.12684691433867 eV
minimum distance =  2.24761965474865 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.3875728092252824
Energy: 1.09612531617866
Energy: 1.0967153531934497
Energy: 1.3416288018349531
Energy: 1.0972056869224316
Energy: 1.1126052713071863
Energy: 1.351537042078101
Energy: 1.2859656038347866
Energy: 1.4391182505843236
Energy: 1.3421499962363954
Energy: 1.0876207342425848
Energy: 1.0906934840265228
Energy: 1.4150939074459385
Energy: 1.1923949606651947
Energy: 1.0873021900282942
Energy: 1.4095251043599448
Energy: 1.087499004157424
Energy: 1.1241138794001944
Energy: 1.4129387613771522
Energy: 1.1215840081991884
Energy: 1.2863044509827755
Energy: 1.3508280966606905
Energy: 1.195519518757542
Energy: 1.1248533809454098
Energy: 1.4110813486943383
Energy: 1.4098086805493444
Energy: 1.1885070655790504
Energy: 1.0878711218091388
Energy: 1.1876924641475963
Energy: 1.4093464023547668
Energy: 1.3467845224848416
Energy: 1.3441786617092057
Energy: 1.2634445806415133
Energy: 1.2513803083855872
Energy: 1.151917389173853
Energy: 1.3421839636156008
Energy: 1.3896688042908363
Energy: 1.1224591911593647
Energy: 1.39516872405962
Energy: 1.0931489901565008
Energy: 1.310261352110207
Energy: 1.4098548033058047
Energy: 1.384603738366975
Energy: 1.1223595177916772
Energy: 1.2386244718940005
Energy: 1.2392408348839226
Energy: 1.2398510448041997
Energy: 1.0953235783494446
Energy: 1.1494959532001332
Energy: 1.0847313755751207
Energy: 1.2400895362129711
Energy: 1.240689107369748
Energy: 1.2505867059634352
Energy: 1.155636303864803
Energy: 1.1690636475640643
Energy: 1.1633181425943617
Energy: 1.0861025209644835
Energy: 1.2447155729220132
Energy: 1.0866482224071852
Energy: 1.1611711280569499
Energy: 1.1181897344477603
Energy: 1.0855620620945716
Energy: 1.0899081785474547
Energy: 1.0861758640643515
Energy: 1.2867957016344105
Energy: 1.0850473128212141
Energy: 1.1658438797220767
Energy: 1.0891189453897046
Energy: 1.0858572506249076
Energy: 1.0920871591618184
Energy: 1.1635168317672504
Energy: 1.1243848913719716
Energy: 1.123698712490645
Energy: 1.0883708628118645
Energy: 1.0852688151877297
Energy: 1.0876914797557315
Energy: 1.0891306937783138
Energy: 1.0884396253263893
Energy: 1.121437990877048
Energy: 1.0850616520303573
Energy: 1.161712817596511
Energy: 1.0862673046855778
Energy: 1.12313258094192
Energy: 1.0849948904176558
Energy: 1.1213713859568775
Energy: 1.086650434217709
Energy: 1.086259708188213
Energy: 1.5277031935913774
Energy: 1.1618216307997327
Energy: 1.0859920825939402
Energy: 1.1337847182163612
Energy: 1.1602511193816907
Energy: 1.245489376981459
Energy: 1.527974396752803
Energy: 1.252857598906006
Energy: 1.1215270035556908
Energy: 1.3201162650830736
Energy: 1.121005652604818
Energy: 1.2381477944639678
Energy: 1.2385817649245758
Energy: 1.2386847902484384
Energy: 1.0943794695211224
Energy: 1.116830184652967
Energy: 1.121790868351015
Energy: 1.3769064793474208
Energy: 1.3886683620892943
Energy: 1.5238580407052678
Energy: 1.1211836053281832
Energy: 1.1193063882705283
Energy: 1.1227787317579863
Energy: 1.5931607413748072
Energy: 1.5308383084759016
Energy: 1.0872614473629454
Energy: 1.1223724295704463
Energy: 1.1272506323751037
Energy: 1.1210268960075713
Energy: 1.1990743532680137
Energy: 1.3896578707312315
Energy: 1.1214384900684018
Energy: 1.1210588190632205
Energy: 1.1226867598867938
Energy: 1.1214052845162261
Energy: 1.123876942044577
Energy: 1.5573410886100287
Energy: 1.121152473972025
Energy: 1.121560083070612
Energy: 1.1255444690164838
Energy: 1.121682949363454
Energy: 1.0886729465691454
Energy: 1.3413272390225437
Energy: 1.1633597367029216
Energy: 1.1219215256363986
Energy: 1.0972966540543458
Energy: 1.1220306809837266
Energy: 1.4400096128758497
Energy: 1.3561231390582011
Energy: 1.0878041104727247
Energy: 1.152445882117408

minimum gb energy = 1.0847313755751207 eV
minimum distance =  2.27338210033758 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.5179637533950903
Energy: 1.4449125032203691
Energy: 1.273228777802779
Energy: 1.2752121906032976
Energy: 1.2732465215322004
Energy: 1.3972530950434787
Energy: 1.0331626330556194
Energy: 1.1084205900930335
Energy: 1.447434801181723
Energy: 1.449203134532416
Energy: 1.1068197251654996
Energy: 1.109907130513212
Energy: 1.1966353715220241
Energy: 1.0307788454543136
Energy: 1.029958573030765
Energy: 1.358418301572989
Energy: 1.1070062354701475
Energy: 1.0308616061897382
Energy: 1.2009806071764098
Energy: 1.0288868985113384
Energy: 1.1055161804343712
Energy: 1.4456914301526824
Energy: 1.0292493582075766
Energy: 1.2193641441325234
Energy: 1.1988639051393344
Energy: 1.1967094093046327
Energy: 1.0312615837998684
Energy: 1.197168059598309
Energy: 1.030982098974034
Energy: 1.1963497247276935
Energy: 1.0320146921948832
Energy: 1.0312301737856118
Energy: 1.2785194581335027
Energy: 1.4435715718261903
Energy: 1.1073901063559353
Energy: 1.0313257396014763
Energy: 1.0311736628937076
Energy: 1.0325157296631255
Energy: 1.2141011366555272
Energy: 1.0329108424643507
Energy: 1.0288425195716453
Energy: 1.358207228702641
Energy: 1.5000671365328018
Energy: 1.1108535574147906
Energy: 1.1965571056554922
Energy: 1.1964964269490188
Energy: 1.1970050285898473
Energy: 1.0281046171214354
Energy: 1.446249767475498
Energy: 1.02862371135147
Energy: 1.0320363009969273
Energy: 1.198025914252194
Energy: 1.0296801863874094
Energy: 1.2760030346407547
Energy: 1.4492384326050392
Energy: 1.1089451002506954
Energy: 1.0302183383237937
Energy: 1.1978032564018488
Energy: 1.0301764152087554
Energy: 1.1073687502321987
Energy: 1.450643610065772
Energy: 1.030485584727665
Energy: 1.0336683703884524
Energy: 1.1956368949799991
Energy: 1.109369000271217
Energy: 1.0303009218398023
Energy: 1.4441385926302248
Energy: 1.4440033253522755
Energy: 1.029496489116102
Energy: 1.0304953907722154
Energy: 1.0295785158543858
Energy: 1.4442228737216596
Energy: 1.0310819452392956
Energy: 1.4439973644121007
Energy: 1.0297845476659253
Energy: 1.0320170018563897
Energy: 1.0301254253432304
Energy: 1.0339858723509727
Energy: 1.5200772665109878
Energy: 1.0306615270860957
Energy: 1.030604273817971
Energy: 1.0290965185291756
Energy: 1.0302400654661517
Energy: 1.028700358590869
Energy: 1.521371827310067
Energy: 1.0305982798320301
Energy: 1.0304224882890514
Energy: 1.0363694249460373
Energy: 1.0299732722913852
Energy: 1.1051890680395782
Energy: 1.5040976261283245
Energy: 1.0282120106123487
Energy: 1.0283611896226952
Energy: 1.0292666267115043
Energy: 1.0278185072421548
Energy: 1.1086214248950401
Energy: 1.4448962639742613
Energy: 1.0294884548882972
Energy: 1.0313148979516022
Energy: 1.0309769651009062
Energy: 1.0316324686389053
Energy: 1.0302578059215883
Energy: 1.0310779973818491
Energy: 1.1074228462460067
Energy: 1.030854698299841
Energy: 1.0329891512619438
Energy: 1.0304568580275848
Energy: 1.4473426417582973
Energy: 1.0317597940304595
Energy: 1.2652464350010475
Energy: 1.19876275505929
Energy: 1.3563777201435208
Energy: 1.445581202202252
Energy: 1.2643967784703665
Energy: 1.4481792300271303
Energy: 1.2674341313053825
Energy: 1.1059349749362029
Energy: 1.1939188936578822
Energy: 1.107908963277165
Energy: 1.4470869374347204
Energy: 1.3582865858123943
Energy: 1.0307898815951888
Energy: 1.0304459356180804
Energy: 1.196642452945494
Energy: 1.108925701653342
Energy: 1.0299107781894323
Energy: 1.4455392302810037
Energy: 1.1099290504889743
Energy: 1.0290703829246601
Energy: 1.200699570847448
Energy: 1.029169100677313
Energy: 1.0297024418423981
Energy: 1.2633038362782452
Energy: 1.0307971684514334
Energy: 1.196699718076896
Energy: 1.1980136313026237
Energy: 1.0301548806412668
Energy: 1.028579685122871
Energy: 1.02897102356425
Energy: 1.2152238266137536
Energy: 1.0309101429271654
Energy: 1.0315266071761795
Energy: 1.0310727714236263
Energy: 1.6151453847236086
Energy: 1.0282054315308415
Energy: 1.0297986288882035
Energy: 1.1970217831448837
Energy: 1.0367235127280396
Energy: 1.0309937206071405
Energy: 1.2151059372055697
Energy: 1.1971490036925434
Energy: 1.1952190013494917
Energy: 1.028146297841653
Energy: 1.5198051872523601
Energy: 1.032307357036024
Energy: 1.1965967566415945
Energy: 1.1957481453748424
Energy: 1.029704458323435
Energy: 1.0289497150430964
Energy: 1.2144779534486552
Energy: 1.029707810392988
Energy: 1.03167425779201
Energy: 1.1968603376845568
Energy: 1.0299933838147415
Energy: 1.1072098745255183
Energy: 1.4489609011329936
Energy: 1.1085071487057212
Energy: 1.0314955406949187
Energy: 1.1971618064906433
Energy: 1.105576337173255
Energy: 1.030250190689452
Energy: 1.4472164515242414
Energy: 1.0309340507304763
Energy: 1.0307355152905329
Energy: 1.0313247324742207
Energy: 1.0296762053262938
Energy: 1.4441012708535192
Energy: 1.4449819046996593
Energy: 1.4731669019007558
Energy: 1.0281408334082889
Energy: 1.034674563446412
Energy: 1.0298646301660088
Energy: 1.033865806546668
Energy: 1.2395788841604523
Energy: 1.4439852168714669
Energy: 1.193525526252337
Energy: 1.02922417361708
Energy: 1.0307180860728844
Energy: 1.0305890043175137
Energy: 1.5210546222734893
Energy: 1.1063628863502595
Energy: 1.030484619969307
Energy: 1.0355031984546477
Energy: 1.0304077879856557
Energy: 1.106045449669916
Energy: 1.5211808120437575
Energy: 1.0282493763498837
Energy: 1.0307723024278481
Energy: 1.0276922760367035
Energy: 1.0278540166799377
Energy: 1.0289502598263516
Energy: 1.512159507758309
Energy: 1.0281739394640044
Energy: 1.0280755927261571
Energy: 1.0303072009410656
Energy: 1.0310494400053527
Energy: 1.106404884134641
Energy: 1.2713748401242806
Energy: 1.032064856094136
Energy: 1.030980474523231
Energy: 1.0319090932743922
Energy: 1.0307527354818005
Energy: 1.2687689688195543
Energy: 1.266516501838632
Energy: 1.1071117582872319
Energy: 1.0310501085021604
Energy: 1.0325920370035122
Energy: 1.029609379543719
Energy: 1.0319732639859125
Energy: 1.031775817250536
Energy: 1.2659292332754313
Energy: 1.3581041507165443

minimum gb energy = 1.0276922760367035 eV
minimum distance =  2.20551666298348 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.9013023458269533
Energy: 1.1615282052315352
Energy: 1.1620039400785465
Energy: 1.1654065112533356
Energy: 1.161632256946803
Energy: 1.846232994419095
Energy: 1.1685917818364984
Energy: 0.9082121546684081
Energy: 0.9045372432986056
Energy: 1.1646079166371353
Energy: 0.9071699611042369
Energy: 0.9053172169672474
Energy: 1.1643162114062928
Energy: 0.908791686767864
Energy: 0.9088982858965086
Energy: 0.8455847872371532
Energy: 0.9079138862409312
Energy: 0.9050081454106619
Energy: 1.1658596472101574
Energy: 0.9099625667093062
Energy: 0.9042997284875803
Energy: 1.167644293836021
Energy: 0.9079590486173951
Energy: 1.3585834252878004
Energy: 1.1650016635828169
Energy: 1.16704336552972
Energy: 0.9089237806221846
Energy: 1.165434539625699
Energy: 0.9069216955399947
Energy: 1.165968439529857
Energy: 1.1647367202332146
Energy: 1.1608043057648463
Energy: 1.1629070336960883
Energy: 1.1555039017583764
Energy: 1.1617844912386406
Energy: 1.1626448746571585
Energy: 1.472636497795316
Energy: 1.1667244664208187
Energy: 0.9044715174704804
Energy: 1.1690591464169635
Energy: 0.906107902055132
Energy: 1.2233025620362985
Energy: 1.4743211250258568
Energy: 0.9082987536214993
Energy: 1.164762409795971
Energy: 1.1680691950347815
Energy: 0.9074965250006626
Energy: 1.4736210701280408
Energy: 1.1683406527853717
Energy: 0.9087575557974928
Energy: 0.9045360004086721
Energy: 0.8454686276485635
Energy: 0.9076114267871058
Energy: 0.9044179272406557
Energy: 1.1670378634798528
Energy: 0.9085315018380676
Energy: 0.9046048196585255
Energy: 1.1666460016408802
Energy: 0.9078685356795203
Energy: 0.9044733005101163
Energy: 1.1642385829346962
Energy: 0.904192364903886
Energy: 0.909494295687481
Energy: 1.167194736692107
Energy: 0.9090841977058072
Energy: 1.1665343209626602
Energy: 1.1685712264886445
Energy: 1.1639050596943459
Energy: 0.9094049545921865
Energy: 1.1548880921168352
Energy: 0.9065337609485405
Energy: 1.1638193159189079
Energy: 1.169040589539626
Energy: 1.1643213693223988
Energy: 0.9094158352187637
Energy: 1.1619892698130527
Energy: 0.9069223983531528
Energy: 1.1608064241429543
Energy: 1.4758501864062972
Energy: 0.9042342586385451
Energy: 1.1621540402199024
Energy: 1.1664991644701599
Energy: 0.908867713659712
Energy: 1.474255722364912

minimum gb energy = 0.8454686276485635 eV
minimum distance =  2.34632501634972 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.2256304840003829
Energy: 1.1385131256456593
Energy: 1.1384806993617718
Energy: 1.2868697140093608
Energy: 1.1383476886600425
Energy: 1.1390049684169494
Energy: 1.1366995283297041
Energy: 1.1375766750354739
Energy: 1.1287686479194459
Energy: 1.1305128103088418
Energy: 1.207531991379052
Energy: 1.1540370534100768
Energy: 1.1370558580532917
Energy: 1.1371264132201178
Energy: 1.2068009876483166
Energy: 1.1272482755635378
Energy: 1.2074243415800516
Energy: 1.1370793674368993
Energy: 1.1380086469121748
Energy: 1.1380973674374588
Energy: 1.208221158852774
Energy: 1.1320188534760736
Energy: 1.1388018350398725
Energy: 1.1378000043804706
Energy: 1.1379682420440373
Energy: 1.1374210389972357
Energy: 1.2075228339909392
Energy: 1.1305683330365204
Energy: 1.1379466514221372
Energy: 1.1376157042557948
Energy: 1.1362026180137819
Energy: 1.1377550610197509
Energy: 1.2061758619507925
Energy: 1.1297323977863365
Energy: 1.206474271279773
Energy: 1.1365527814593483
Energy: 1.1348095924047523
Energy: 1.138798580609022
Energy: 1.128877066863425
Energy: 1.1294338066822573
Energy: 1.1286627869084533
Energy: 1.2031310470768435
Energy: 1.1337902427055577
Energy: 1.137517159441509
Energy: 1.1377875783901799
Energy: 1.136969937134559
Energy: 1.1378792972351846
Energy: 1.1251791347112439
Energy: 1.1387177764391645
Energy: 1.137037478962217
Energy: 1.2067991618606315
Energy: 1.1260359667547655
Energy: 1.1374971403370053
Energy: 1.1370434194141237
Energy: 1.1372388916288656
Energy: 1.137664774653307
Energy: 1.206477154493358
Energy: 1.1264924833619294
Energy: 1.1377318971961148
Energy: 1.1376936518373686
Energy: 1.1379128512159835
Energy: 1.1376159380683248
Energy: 1.2184331511782753
Energy: 1.1392192376303087
Energy: 1.219952026371561
Energy: 1.138171354638162
Energy: 1.1388260191918322
Energy: 1.2063071599453166
Energy: 1.1376514007365808
Energy: 1.1375237542972896
Energy: 1.206111292376573
Energy: 1.139372330483299
Energy: 1.141099259872233
Energy: 1.343756682423484
Energy: 1.1367378942017974
Energy: 1.1381914193271159
Energy: 1.2673034688175415
Energy: 1.1370413287557695
Energy: 1.1254416084449193
Energy: 1.1377630590544554
Energy: 1.1377993823320973
Energy: 1.137559987188309
Energy: 1.1379959746873758
Energy: 1.2084738900151275
Energy: 1.1382113209420996
Energy: 1.2062576410237085
Energy: 1.1376065684700456
Energy: 1.1376942534398613
Energy: 1.137634982800414
Energy: 1.1299321010422934
Energy: 1.1371675755459356
Energy: 1.1379731128273876
Energy: 1.1313444887319126
Energy: 1.1236076481950317
Energy: 1.1382198686580507
Energy: 1.138970462662108
Energy: 1.1300072866071131
Energy: 1.2082563749681312
Energy: 1.1376390943410577
Energy: 1.1254708586382203
Energy: 1.1375737428321044
Energy: 1.1289125945839564
Energy: 1.1274299000122634
Energy: 1.3885837242311865
Energy: 1.137072594161968
Energy: 1.1369415164600725
Energy: 1.1371942085330617
Energy: 1.1278554378966845
Energy: 1.1312408733548052
Energy: 1.138271677752641
Energy: 1.1387791990645806
Energy: 1.1647847758475995
Energy: 1.1383345111398788
Energy: 1.1286820711796108
Energy: 1.1303698140447278
Energy: 1.13771572562071
Energy: 1.1376202730919525
Energy: 1.1379871126690313
Energy: 1.1377633335501538
Energy: 1.2068853734601253
Energy: 1.129769929092463
Energy: 1.3522642715733024
Energy: 1.1368019564595737
Energy: 1.1366513289003934
Energy: 1.1388842931181808
Energy: 1.2051890484677161
Energy: 1.1295012739451347
Energy: 1.1291731465604096
Energy: 1.1374668669924275
Energy: 1.1339665652542452
Energy: 1.1375159932407775
Energy: 1.1287968081194883
Energy: 1.136848186835392
Energy: 1.137710688672743
Energy: 1.2162304035263916
Energy: 1.1262011546709392
Energy: 1.1281761749000974
Energy: 1.1406846177825285
Energy: 1.1260715456481323
Energy: 1.2076457849232112
Energy: 1.1366293959884906
Energy: 1.1402041827916216
Energy: 1.137512505665279
Energy: 1.202242639661583
Energy: 1.126462988756259
Energy: 1.1380246424042362
Energy: 1.137801275747579
Energy: 1.1395010815651472
Energy: 1.1378141737280327
Energy: 1.2026578589050814
Energy: 1.1393184342272011
Energy: 1.2217214558241318
Energy: 1.1380504764682564
Energy: 1.1395500737939583
Energy: 1.1392039802882026
Energy: 1.138618706802213
Energy: 1.1373087398118225
Energy: 1.1375446205727222
Energy: 1.1385330227171118
Energy: 1.1399457469826153
Energy: 1.2095113718288855
Energy: 1.1380928083123303
Energy: 1.2680658322697949
Energy: 1.1386176009327336
Energy: 1.2186032194841265
Energy: 1.1407208456835418
Energy: 1.138908567594541
Energy: 1.13960365550978
Energy: 1.1401535592768635
Energy: 1.1379381565240432
Energy: 1.2083946886266521
Energy: 1.125484067622245
Energy: 1.1378632439471381
Energy: 1.1376722786032432
Energy: 1.1394050711793369
Energy: 1.1373379261207108
Energy: 1.2071349899697006
Energy: 1.1375637465504083
Energy: 1.2068483148486573
Energy: 1.1372743617419085
Energy: 1.1245286908046914
Energy: 1.138212871630236
Energy: 1.137680304128759
Energy: 1.1372000247734635
Energy: 1.1377723182529762
Energy: 1.1282712225819853

minimum gb energy = 1.1236076481950317 eV
minimum distance =  2.25538547018561 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.3686000398370615
Energy: 1.2753944506384185
Energy: 1.2762426609676063
Energy: 1.2753775359952928
Energy: 1.2760037700967006
Energy: 1.2453837918656945
Energy: 1.2077997504769566
Energy: 1.2626681570764422
Energy: 1.2626436478401555
Energy: 1.2067746165826139
Energy: 1.2649734358473144
Energy: 1.2073092738782867
Energy: 1.2067397403983926
Energy: 1.2081693244171146
Energy: 1.2623249525682438
Energy: 1.1906806946756074
Energy: 1.2653201841862909
Energy: 1.2081133471898347
Energy: 1.2074492483343513
Energy: 1.2080774989233056
Energy: 1.2632227227544317
Energy: 1.2068747831082922
Energy: 1.2080104493935448
Energy: 1.2085655405328513
Energy: 1.208428511416618
Energy: 1.2079789456993664
Energy: 1.262310769941409
Energy: 1.206798024660454
Energy: 1.2630459437488841
Energy: 1.208527300562527
Energy: 1.2065833140321007
Energy: 1.2632345801359537
Energy: 1.2628982526358248
Energy: 1.2068894441338511
Energy: 1.2616650497072441
Energy: 1.2087414653584374
Energy: 1.2707604054049901
Energy: 1.2634993559101437
Energy: 1.2075112899868037
Energy: 1.2782916731147336
Energy: 1.207582912588257
Energy: 1.2623909652309677
Energy: 1.203144102262323
Energy: 1.2622979111176134
Energy: 1.208078111969684
Energy: 1.2753185693140638
Energy: 1.2077985108382479
Energy: 1.262532808868288
Energy: 1.2067953437575185
Energy: 1.2070582986537481
Energy: 1.191518308491141
Energy: 1.1912901439182821
Energy: 1.2623924223026555
Energy: 1.2089998094820802
Energy: 1.2782701509715642
Energy: 1.2072250057147194
Energy: 1.1914340985835432
Energy: 1.1909101462053862
Energy: 1.2623506850773423
Energy: 1.2075464881638187
Energy: 1.1903555718592918
Energy: 1.2625504340320395
Energy: 1.2075206700380858
Energy: 1.2068113136171794
Energy: 1.2638088811557469
Energy: 1.2625875513640261
Energy: 1.1902307829490721
Energy: 1.2639993281147528
Energy: 1.2079793883037633
Energy: 1.2088764917707777
Energy: 1.2075323734151937
Energy: 1.2621617978677777
Energy: 1.2087869933963091
Energy: 1.207511765498874
Energy: 1.2083705031170402
Energy: 1.208951146569361
Energy: 1.2077953989752976
Energy: 1.2074737016982675
Energy: 1.206736605590291
Energy: 1.2626312412038678
Energy: 1.2077853618189378
Energy: 1.2071365548470776
Energy: 1.2069023008134152
Energy: 1.2632421755822247
Energy: 1.2067979461847678
Energy: 1.2625177599368582
Energy: 1.2628349074504701
Energy: 1.2067595036691072
Energy: 1.2628531893448491
Energy: 1.2087118936162826
Energy: 1.2753615856015252
Energy: 1.275848739719667
Energy: 1.2090400049129393
Energy: 1.2035675079408916
Energy: 1.207303612103289
Energy: 1.276124082807098
Energy: 1.190218498221988
Energy: 1.2625485530468858
Energy: 1.2625338209894437
Energy: 1.2062669037777813
Energy: 1.264743221799459
Energy: 1.20861047220287

minimum gb energy = 1.190218498221988 eV
minimum distance =  2.26884181837878 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.5493373463523317
Energy: 1.3307911363668545
Energy: 1.3143444702995717
Energy: 1.3144802469014283
Energy: 1.3311411320441229
Energy: 1.3174714164622001
Energy: 1.281490818613549
Energy: 1.4525911238749643
Energy: 1.3063337840404292
Energy: 1.3302593242866143
Energy: 1.351164022592572
Energy: 1.3232148299609505
Energy: 1.2833394835637204
Energy: 1.2994298218464797
Energy: 1.558050000922302
Energy: 1.2567053755728155
Energy: 1.4522503435268195
Energy: 1.2824916201976158
Energy: 1.296875862281376
Energy: 1.298872162147886
Energy: 1.4463546033333408
Energy: 1.3065266732182963
Energy: 1.2822758310413387
Energy: 1.298239140979704
Energy: 1.2826664562539072
Energy: 1.361947737394589
Energy: 1.3643489902376602
Energy: 1.300528842479992
Energy: 1.363090042584774
Energy: 1.4454456722725413
Energy: 1.289556388952182
Energy: 1.3635660883895504
Energy: 1.2824001824179845
Energy: 1.297887100656278
Energy: 1.4485666594358841
Energy: 1.2884764395485777
Energy: 1.3305659305274424
Energy: 1.2980398515143816
Energy: 1.2987380209024244
Energy: 1.2989983558182783
Energy: 1.2992703008200444
Energy: 1.3505553727481137
Energy: 1.3308929511441154
Energy: 1.3358589700325796
Energy: 1.2844723007679084
Energy: 1.281522483466386
Energy: 1.4372344045239824
Energy: 1.33614071997947
Energy: 1.3295494934528762
Energy: 1.3307156369097328
Energy: 1.3364768816486672
Energy: 1.327937652919909
Energy: 1.4519119761915604
Energy: 1.3305420918832163
Energy: 1.3125766183454939
Energy: 1.2886561726622847
Energy: 1.337497994534067
Energy: 1.327817697995939
Energy: 1.4518426467290246
Energy: 1.3133801002501604
Energy: 1.3567982684542625
Energy: 1.4516948195700385
Energy: 1.2842782766748928
Energy: 1.312760518626656
Energy: 1.2830865347840932
Energy: 1.2840991180536647
Energy: 1.356780445311809
Energy: 1.3361873559449866
Energy: 1.3068685143472052
Energy: 1.3322509294693987
Energy: 1.306492735864502
Energy: 1.3077206081668113
Energy: 1.2810450539808633
Energy: 1.2843639854735034
Energy: 1.3366115626631645
Energy: 1.2579955383523524
Energy: 1.4519364642303945
Energy: 1.2839062128710326
Energy: 1.3003751565121155
Energy: 1.3001081545343305
Energy: 1.2987329156540588
Energy: 1.2831913367144037
Energy: 1.2986928711365193
Energy: 1.2987110845150007
Energy: 1.2810577563107923
Energy: 1.4487071967919731
Energy: 1.3644469204585887
Energy: 1.2992530798041864
Energy: 1.3646126691365537
Energy: 1.285207255495566
Energy: 1.2976219364617458
Energy: 1.3632991303018869
Energy: 1.4579169390441709
Energy: 1.4471860006372945
Energy: 1.4614882101841509
Energy: 1.2981916076342395
Energy: 1.3056621062402112
Energy: 1.2827878448173047
Energy: 1.299118381886906
Energy: 1.2991158427523872
Energy: 1.2993984725103798
Energy: 1.2832980477468485
Energy: 1.32147684578682
Energy: 1.4520601953599412
Energy: 1.2840777008020052
Energy: 1.2816547808760848
Energy: 1.2832297743524903
Energy: 1.4526352400149267
Energy: 1.3302980472868855
Energy: 1.2936789349836728
Energy: 1.2975998194798772
Energy: 1.2821718920119713
Energy: 1.3509370628086024
Energy: 1.3073181862483172
Energy: 1.313113033821082
Energy: 1.314511521524857
Energy: 1.2949150734666866
Energy: 1.3194199456202127
Energy: 1.282617466732414
Energy: 1.314872965937097
Energy: 1.3565422219859358
Energy: 1.3375392450409256
Energy: 1.3112583599334973
Energy: 1.312621885863386
Energy: 1.4526706886094702
Energy: 1.294218929385248

minimum gb energy = 1.2567053755728155 eV
minimum distance =  2.26364708136474 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.3468807877200497
Energy: 1.3146986910124572
Energy: 1.3142334144807641
Energy: 1.3155013775127455
Energy: 1.3143606577328875
Energy: 1.2790980910058412
Energy: 1.2676533713211264
Energy: 1.269975637016269
Energy: 1.3122406617249818
Energy: 1.3257178984721483
Energy: 1.269236752029478
Energy: 1.2980365159935412
Energy: 1.268868196865059
Energy: 1.268027333458768
Energy: 1.628081378771461
Energy: 1.266436443944066
Energy: 1.2666326017243676
Energy: 1.2669366658250432
Energy: 1.2665091807380493
Energy: 1.2672135348295255
Energy: 1.3697192309678272
Energy: 1.2954217606433482
Energy: 1.3949418893734817
Energy: 1.2681365928229236
Energy: 1.2648884863041683
Energy: 1.3777888104867915
Energy: 1.280021177095472
Energy: 1.3134535820183313
Energy: 1.3780383896007355
Energy: 1.528603467314834
Energy: 1.271355737331038
Energy: 1.4864166160651213
Energy: 1.2799801326023648
Energy: 1.2960367745456858
Energy: 1.3611282873815735
Energy: 1.2697700538660264
Energy: 1.2674444535507199
Energy: 1.3927918370189414
Energy: 1.3626044369256585
Energy: 1.2973506894711917
Energy: 1.3626412466134918
Energy: 1.2703503370336233
Energy: 1.2672030674746235
Energy: 1.3786943987052855
Energy: 1.297094684693734
Energy: 1.2955678644997084
Energy: 1.3859904102561942
Energy: 1.2668405714217639
Energy: 1.2664435821925144
Energy: 1.2672231336370259
Energy: 1.2663065661244113
Energy: 1.323430176553066
Energy: 1.2688475771976275
Energy: 1.2684046936253446
Energy: 1.2667831493724886
Energy: 1.3691364555177092
Energy: 1.3378295722078124
Energy: 1.3236400019916477
Energy: 1.267085235139014
Energy: 1.3687166863594995
Energy: 1.3209030127442452
Energy: 1.4699154052612975
Energy: 1.3143414027959879
Energy: 1.3158969783779038
Energy: 1.3146210935210825
Energy: 1.2677502109716636
Energy: 1.3205969621394564
Energy: 1.2708348395930937
Energy: 1.3152182732592468
Energy: 1.3136348368986233
Energy: 1.2803441566312828
Energy: 1.311639009812574
Energy: 1.3133574068691032
Energy: 1.2681744738491076
Energy: 1.2658041031171763
Energy: 1.2640207795767882
Energy: 1.280485697657286
Energy: 1.315659363470424
Energy: 1.3136811854096644
Energy: 1.2964105493873643
Energy: 1.267217925985558
Energy: 1.3531667744310485
Energy: 1.2692787409605373
Energy: 1.2966569070513718
Energy: 1.26495576358719
Energy: 1.4698877413436129
Energy: 1.2678374456271888
Energy: 1.2674944870351543
Energy: 1.2666976591357704
Energy: 1.6276421081882715
Energy: 1.2648805211688572
Energy: 1.2696773899372602
Energy: 1.2707164516458225
Energy: 1.2694189728780372
Energy: 1.2660090811682707
Energy: 1.2807156081406885
Energy: 1.3128485068724298
Energy: 1.3792543209377752
Energy: 1.5284897149375025
Energy: 1.2655161326614934
Energy: 1.3768411778317473
Energy: 1.2800315219963436
Energy: 1.2965067090483078
Energy: 1.3620677494534936
Energy: 1.269245670207468
Energy: 1.267200191645834
Energy: 1.3625782147944399
Energy: 1.361494497442506
Energy: 1.2955667959492838
Energy: 1.3625387002305163
Energy: 1.2696538255382273
Energy: 1.2669290086491025
Energy: 1.362724367889031
Energy: 1.3606877771372683
Energy: 1.3125127675632593
Energy: 1.3791338542167029
Energy: 1.5291606551413042
Energy: 1.2663714386098537
Energy: 1.5296829872857354
Energy: 1.2804134966249774
Energy: 1.3232573825945415
Energy: 1.376665564420573
Energy: 1.2710378120788743
Energy: 1.2695376861285568
Energy: 1.2683620022767201
Energy: 1.2987048826534193
Energy: 1.263985806194738
Energy: 1.4679005228973363
Energy: 1.2667265886452903
Energy: 1.2672349167330008
Energy: 1.2666143051404377
Energy: 1.4700988745527235
Energy: 1.3138514558009375
Energy: 1.2801638118036662
Energy: 1.2674014765092394
Energy: 1.3209032724727505
Energy: 1.2696849481190684
Energy: 1.3144750024311975
Energy: 1.3137547197633637
Energy: 1.3168932201084518
Energy: 1.466899015635291
Energy: 1.3209530552245006
Energy: 1.2799546623891402
Energy: 1.315937575928328
Energy: 1.3527881292624329
Energy: 1.3386287397457386
Energy: 1.2800285757329541
Energy: 1.3134622489078251
Energy: 1.2813089803225333
Energy: 1.2657834402557862

minimum gb energy = 1.263985806194738 eV
minimum distance =  2.28534303868991 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.3962383864746521
Energy: 1.3121311093593404
Energy: 1.3121220321432447
Energy: 1.311769002452096
Energy: 1.312165919176385
Energy: 1.280063465564654
Energy: 1.2624107909045066
Energy: 1.2616419065198439
Energy: 1.3148708772328
Energy: 1.3122328851721825
Energy: 1.3297249991217697
Energy: 1.2735201349868537
Energy: 1.261051794696157
Energy: 1.2616662061966462
Energy: 1.252108582126919
Energy: 1.252354490886947
Energy: 1.2617194723471097
Energy: 1.2614650434184849
Energy: 1.2648643358373297
Energy: 1.2614749103446243
Energy: 1.2964052187898214
Energy: 1.2739504090907194
Energy: 1.2761562522956953
Energy: 1.2613634577081698
Energy: 1.2542512880700074
Energy: 1.2643430560627142
Energy: 1.2828608890138975
Energy: 1.2772269433499068
Energy: 1.3512677137201397
Energy: 1.3364033410882854
Energy: 1.2641419699507777
Energy: 1.2677448538373517
Energy: 1.2765460191905336
Energy: 1.2771065764481986
Energy: 1.3363011628400854
Energy: 1.2641826791450084
Energy: 1.2706973262621974
Energy: 1.4214652754226969
Energy: 1.4357737066379994
Energy: 1.3895088326034708
Energy: 1.4364533660617267
Energy: 1.4010691162921727
Energy: 1.2708302034783567
Energy: 1.4012277369192616
Energy: 1.2642700055017893
Energy: 1.265495907704056
Energy: 1.2767040837073884
Energy: 1.27162311664576
Energy: 1.2678451491073257
Energy: 1.3196103117253073
Energy: 1.324155170718889
Energy: 1.2634221352504678
Energy: 1.3233770660075765
Energy: 1.3231278898092762
Energy: 1.2707398334752094
Energy: 1.2716131299565574
Energy: 1.2632191012432832
Energy: 1.2638396197423512
Energy: 1.3225523622367505
Energy: 1.2718560755619488
Energy: 1.2641962808455252
Energy: 1.2647564477698863
Energy: 1.2660283589031742
Energy: 1.2633710405559702
Energy: 1.265629132613052
Energy: 1.2643274917484633
Energy: 1.3123072394789457
Energy: 1.2610256667517166
Energy: 1.251255519379139
Energy: 1.2601454471741989
Energy: 1.2517763662306327
Energy: 1.3133586127545058
Energy: 1.3121768962772726
Energy: 1.3129456451210613
Energy: 1.2526045769321645
Energy: 1.3267873975978988
Energy: 1.2712435292016169
Energy: 1.312543314499239
Energy: 1.311729632940938
Energy: 1.2263243895312828
Energy: 1.2511853764526661
Energy: 1.3270870019948828
Energy: 1.225939456134127
Energy: 1.3125804057960484
Energy: 1.2501451076194026
Energy: 1.2514503448292327
Energy: 1.259832512619017
Energy: 1.2602346452987587
Energy: 1.2599742135976943
Energy: 1.2517397542927213
Energy: 1.326029223366241
Energy: 1.2521206449613642
Energy: 1.2519367992798336
Energy: 1.2602214166516092
Energy: 1.2521721129557022
Energy: 1.2606662132206103
Energy: 1.2601481240709766
Energy: 1.2604872033456038
Energy: 1.254177818322867
Energy: 1.2897189820991852
Energy: 1.2418646050325548
Energy: 1.2603162626449251
Energy: 1.261597404202961
Energy: 1.2619640627355133
Energy: 1.269966488750499
Energy: 1.2736738745427334
Energy: 1.226193677024509
Energy: 1.2624422967676354
Energy: 1.2540744325596402
Energy: 1.2626938783795765
Energy: 1.2722350776007156
Energy: 1.2722160329156635
Energy: 1.3401865257360874
Energy: 1.4136219122706148
Energy: 1.2616831481595725
Energy: 1.2260768891454175
Energy: 1.3361700073256393
Energy: 1.2646137462359675
Energy: 1.3401984092381138
Energy: 1.2687539577149691
Energy: 1.2683026807721363
Energy: 1.3791018753466766
Energy: 1.450879007962737
Energy: 1.2605441482790218
Energy: 1.4503898596865357
Energy: 1.2699121283162502
Energy: 1.2704899748823908
Energy: 1.433038689384303
Energy: 1.2762253123180636
Energy: 1.2813579824653203
Energy: 1.3854626799961107
Energy: 1.4340486976472933
Energy: 1.2682368029228965
Energy: 1.3361961712247103
Energy: 1.276105982291879
Energy: 1.2621496811335096
Energy: 1.3384284070855452
Energy: 1.2685822731828809
Energy: 1.2682337840845808
Energy: 1.268714298508311
Energy: 1.3801150377102962
Energy: 1.2616785303510765
Energy: 1.3786709397621772
Energy: 1.2686773761737948
Energy: 1.3244413440008675
Energy: 1.261548504392194
Energy: 1.2644311605457212
Energy: 1.2647949080623055
Energy: 1.2653488531175736
Energy: 1.269270091726574
Energy: 1.2642205419793273
Energy: 1.2646390048065952
Energy: 1.261347162562373
Energy: 1.261240029353938
Energy: 1.2784636684442672
Energy: 1.3762399801042946
Energy: 1.3129169282465083
Energy: 1.273388210778801
Energy: 1.3784278027059282
Energy: 1.3267029420881407
Energy: 1.2640795455566578
Energy: 1.3140123894851128
Energy: 1.311991159536152
Energy: 1.3182707632244637
Energy: 1.2647261856735368
Energy: 1.3268671932643956
Energy: 1.273584119281934
Energy: 1.3122934546402985
Energy: 1.2887134924249564
Energy: 1.2642809575885976
Energy: 1.2985502997429537
Energy: 1.3126216910607271
Energy: 1.2986762364069768
Energy: 1.29735891235369

minimum gb energy = 1.225939456134127 eV
minimum distance =  2.26722459704765 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.2603080514632345
Energy: 1.246144307246807
Energy: 1.2450705665237614
Energy: 1.2655046071009106
Energy: 1.2457825175764135
Energy: 1.624499403899172
Energy: 1.1996693503862832
Energy: 1.203842359154758
Energy: 1.2419101087691715
Energy: 1.2627909238780457
Energy: 1.2159270080481577
Energy: 1.1981433307732006
Energy: 1.200851691129357
Energy: 1.2034822534602412
Energy: 1.1938607755919037
Energy: 1.1958860425473712
Energy: 1.2035177258730507
Energy: 1.2033636053314418
Energy: 1.2160033140788469
Energy: 1.2154255514820713
Energy: 1.204120317613287
Energy: 1.2208053131495331
Energy: 1.2030020846844514
Energy: 1.2170865821929906
Energy: 1.1937959209543652
Energy: 1.200223591794335
Energy: 1.1998820949074087
Energy: 1.1990417697470808
Energy: 1.1987389191033333
Energy: 1.2080199120269772
Energy: 1.2149143338569641
Energy: 1.203702258194907
Energy: 1.1991859567228205
Energy: 1.1975360242584359
Energy: 1.1969294041024174
Energy: 1.2165814784162459
Energy: 1.2032193884537437
Energy: 1.301987620013211
Energy: 1.310312172301023
Energy: 1.3096111138499587
Energy: 1.3063585118725234
Energy: 1.3016312387959146
Energy: 1.2038604753645088
Energy: 1.3026920569966576
Energy: 1.1977568333459447
Energy: 1.1990596211276963
Energy: 1.1972768521215922
Energy: 1.2040031685566943
Energy: 1.216283705178224
Energy: 1.3619997913740187
Energy: 1.3096960799732291
Energy: 1.197688408704031
Energy: 1.3099456289090312
Energy: 1.3010230799515146
Energy: 1.2156750017518716
Energy: 1.2031887112450084
Energy: 1.19799125910206
Energy: 1.1976196507725785
Energy: 1.3100853699083417
Energy: 1.2044255034767137
Energy: 1.1996338721559556
Energy: 1.1991802090605905
Energy: 1.198050942556028
Energy: 1.200806103551894
Energy: 1.1998399823984467
Energy: 1.2002101032481864
Energy: 1.2142341512295045
Energy: 1.3171444087589834
Energy: 1.2018302470239697
Energy: 1.1968175188398165
Energy: 1.2002793555299105
Energy: 1.2004581641439462
Energy: 1.2152023479661034
Energy: 1.2159264708184299
Energy: 1.200450415255634
Energy: 1.1989250346458962
Energy: 1.204551270825389
Energy: 1.215736221255037
Energy: 1.199199685710024
Energy: 1.2162079343103274
Energy: 1.1973967267816112
Energy: 1.2127751934871687
Energy: 1.215757598893267
Energy: 1.3253598616387814
Energy: 1.2016053501443225
Energy: 1.1978311224495795
Energy: 1.2629036600878008
Energy: 1.2637652331680251
Energy: 1.2451461157073789
Energy: 1.2014436996829785
Energy: 1.2682309064306503
Energy: 1.2726124160286303
Energy: 1.2632824423693367
Energy: 1.2444104447549216
Energy: 1.1976554255858407
Energy: 1.2715794066268207
Energy: 1.2441543811994364
Energy: 1.2455176694449985
Energy: 1.1937104674045578
Energy: 1.1941059099411575
Energy: 1.2141879333850651
Energy: 1.2453033260038573
Energy: 1.2619383269927875
Energy: 1.1980507551304465
Energy: 1.203875884104361
Energy: 1.291343259039291
Energy: 1.2137815984440707
Energy: 1.2215757310185569
Energy: 1.19416953757224
Energy: 1.2010016589555348
Energy: 1.2038888441495328
Energy: 1.2001983639082492
Energy: 1.2035532443377355
Energy: 1.1939238904730534
Energy: 1.2353180725428456
Energy: 1.2033869012451852
Energy: 1.2164225827196897
Energy: 1.2153042031684362
Energy: 1.2159136408546594
Energy: 1.216048946958192
Energy: 1.1971162938731512
Energy: 1.2001809183920378
Energy: 1.197211300310017
Energy: 1.194693712292968
Energy: 1.201023898402144
Energy: 1.2007523168040326
Energy: 1.1976765200174673
Energy: 1.1975492831321124
Energy: 1.2039109190315513
Energy: 1.2151280114527812
Energy: 1.2001080056296543
Energy: 1.1982065291746145
Energy: 1.2207386224329193
Energy: 1.4108639515712897
Energy: 1.2034944460504906
Energy: 1.20462157266161
Energy: 1.3091303017369749
Energy: 1.3099329245619689
Energy: 1.1973275606092253
Energy: 1.197487509350603
Energy: 1.304484992375204
Energy: 1.2036816121254363
Energy: 1.3014411106276653
Energy: 1.1993655876863127
Energy: 1.1971421887414015
Energy: 1.3090604693876702
Energy: 1.3019040308816596
Energy: 1.2037699644453823
Energy: 1.3019328219513517
Energy: 1.197461536056022
Energy: 1.19764443864862
Energy: 1.3108222946709172
Energy: 1.2034948887924382
Energy: 1.2049437439879531
Energy: 1.2042168480332733
Energy: 1.3106860696690887
Energy: 1.1979798218947013
Energy: 1.1990908910610125
Energy: 1.1984069705672415
Energy: 1.2149213387907545
Energy: 1.2009311004731291
Energy: 1.1981352315526883
Energy: 1.1973670262183613
Energy: 1.2005345112719652
Energy: 1.1980227045403014
Energy: 1.2001912549586746
Energy: 1.1983948384577479
Energy: 1.197436202840418
Energy: 1.2125071827930598
Energy: 1.2001969863519768
Energy: 1.215943653115958
Energy: 1.2153283079720196
Energy: 1.2164272781609804
Energy: 1.19996991834881
Energy: 1.1979161492431432
Energy: 1.2046511383658076
Energy: 1.2664411413063492
Energy: 1.1996750664927578
Energy: 1.266588689664746
Energy: 1.203916988259045
Energy: 1.2625053658769803
Energy: 1.2635652949555691
Energy: 1.2001213454532744
Energy: 1.2607354561388
Energy: 1.1980369808642892
Energy: 1.2630956412382812
Energy: 1.2441252272519387
Energy: 1.245107240162374
Energy: 1.2147332821890182
Energy: 1.2595584312741672
Energy: 1.1975502075026823
Energy: 1.2449753902481522
Energy: 1.2285937424856963
Energy: 1.2007819181630974
Energy: 1.198753761773405
Energy: 1.2445245578237731
Energy: 1.1984270345574097
Energy: 1.1941239390927603

minimum gb energy = 1.1937104674045578 eV
minimum distance =  2.27253382151286 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014917206584504275
Energy: 0.09812287079377816
Energy: 0.09550724990610615
Energy: 0.09554773615585757
Energy: 0.09692357680974535
Energy: 0.015543814547625365
Energy: 0.10948858453395875
Energy: 0.10944785248028951
Energy: 0.11004022054315722
Energy: 0.11042876776555172
Energy: 0.10939131582758492
Energy: 0.10969217849721305
Energy: 0.9470745949259753
Energy: 0.09591625553105902
Energy: 0.015591799058642036
Energy: 0.016545268938463354
Energy: 0.09618686214587194
Energy: 0.09524434683671754
Energy: 0.015090625210488746
Energy: 0.10944785247962202
Energy: 0.11004022054315722
Energy: 0.11042876776484492
Energy: 0.10939131582758492
Energy: 0.10969217849791982

minimum gb energy = 0.014917206584504275 eV
minimum distance =  2.45323588920289 Angstroms
sigma value = 1