Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005
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=2.855324655771256
cohesive_energy=4.122759316663293
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012742793955211305
Energy: 0.01299480044296114
Energy: 0.2144515753490696
Energy: 0.21440236574048682
Energy: 0.21549703597730732
Energy: 0.012910378476989682
Energy: 0.012994800442486385
Energy: 0.927814348328471
Energy: 0.9278344633339463
Energy: 0.21444226673759323
Energy: 0.9274134440062979
Energy: 0.21441212502607324
Energy: 0.21445157534809217
Energy: 0.927834463712242
Energy: 0.9279254899144327
Energy: 0.012952446061716607
Energy: 0.21441227982749736
Energy: 0.9278054003292665
Energy: 0.2144023650978642
Energy: 0.214442266731198
Energy: 0.012952446062191363
Energy: 0.012869139984577666
Energy: 0.21489177934524453
Energy: 0.21446592623034347
Energy: 0.21549703598074227
Energy: 0.9274124790209566
Energy: 0.21441227982601727
Energy: 0.2148917793388493
Energy: 0.9273172858999464
Energy: 0.2144705909195713
Energy: 0.012910378475034808
Energy: 0.2144121250280281
Energy: 0.9278054003273116
Energy: 0.21446595950856595
Energy: 0.21447059092842408
Energy: 0.012886828344500395

minimum gb energy = 0.012742793955211305 eV
minimum distance =  2.47172213331831 Angstroms
sigma value = 1


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

Energy: 1.811859400861491
Energy: 1.2640142670321053
Energy: 1.3199032095175698
Energy: 1.2262431109866656
Energy: 1.2694066631601002
Energy: 1.2626733442093405
Energy: 1.1218204572808348
Energy: 1.3169335526924824
Energy: 1.2140204973339477
Energy: 1.1999752438730027
Energy: 1.2413454246081588
Energy: 1.3207797995493542
Energy: 1.1342084216860362
Energy: 1.230508833904738
Energy: 1.3328123131732803
Energy: 1.26180048948112
Energy: 1.2454252845274842
Energy: 1.2215769949030162
Energy: 1.192074349568168
Energy: 1.2153340479983679
Energy: 1.2853552366377612
Energy: 1.3852177083664625
Energy: 1.2403038874206385
Energy: 1.2056527015900165
Energy: 1.2423622107477403
Energy: 1.2173509321903961
Energy: 1.309466737945692
Energy: 1.2001862606434632
Energy: 1.2923190669137457
Energy: 1.28044693029352
Energy: 1.2711537739815406
Energy: 1.286724339476279
Energy: 1.2862351557150415
Energy: 1.199160588201202
Energy: 1.2846111114278365
Energy: 1.2878522424365177
Energy: 1.254150282190053
Energy: 1.284986868862061
Energy: 1.2845854499615108
Energy: 1.3254876155281239
Energy: 1.2846267020543043
Energy: 1.2857227409925462
Energy: 1.1548688980294033
Energy: 1.1554609585272684
Energy: 1.1991667908742445
Energy: 1.1302500190309508
Energy: 1.3591043495173127
Energy: 1.1561348598295296
Energy: 1.1155544424889867
Energy: 1.2852260693258986
Energy: 1.2846503053657838
Energy: 1.2007776902322442
Energy: 1.2878856776649725
Energy: 1.2852079909328729
Energy: 1.1205956443227036
Energy: 1.283909482530396
Energy: 1.2855261775741706
Energy: 1.20011292751066
Energy: 1.2845653844282288
Energy: 1.3063741769157715
Energy: 1.1550178243820466
Energy: 1.156235983489138
Energy: 1.2079855704541573
Energy: 1.2254223176344365
Energy: 1.2040443215720242
Energy: 1.1581767994190586
Energy: 1.1940264437548274
Energy: 1.2122033566073025
Energy: 1.2747755659710545
Energy: 1.116461908137127
Energy: 1.2358803176359583
Energy: 1.1930583513616775
Energy: 1.1994469492819155
Energy: 1.2118847980765786
Energy: 1.2681948774783223
Energy: 1.353242005625633
Energy: 1.2001460235684738
Energy: 1.2685462506328056
Energy: 1.1981389635987074
Energy: 1.2014857468746638
Energy: 1.2090303514535718
Energy: 1.1322455125759079
Energy: 1.2137401818197442
Energy: 1.2038318271120385
Energy: 1.1284987708594503
Energy: 1.2078479032714564
Energy: 1.2097688121534411
Energy: 1.2001018453358474
Energy: 1.2101456795496162
Energy: 1.2858080001109489
Energy: 1.1301074806443319
Energy: 1.1986412923846865
Energy: 1.2062629469186685
Energy: 1.1942265703190618
Energy: 1.2330057396900949
Energy: 1.3209756343182617
Energy: 1.1983890243402286
Energy: 1.221033630749598
Energy: 1.2499561097645377
Energy: 1.2460158455917762
Energy: 1.2884242292008203
Energy: 1.2135190522526065
Energy: 1.1981893083470003
Energy: 1.287596566447783
Energy: 1.2846193391159095
Energy: 1.2846832768291572
Energy: 1.288849316324393
Energy: 1.3703169008184497
Energy: 1.2000675529084905
Energy: 1.2888363949311186
Energy: 1.3749744172725695
Energy: 1.255540414003428
Energy: 1.2882956973464377
Energy: 1.3192624007499951
Energy: 1.224520839745764
Energy: 1.2850644320692963
Energy: 1.156286897521046
Energy: 1.2443159025449528
Energy: 1.2864180313210616
Energy: 1.3812337031518886
Energy: 1.1981117525816949
Energy: 1.284345065882142
Energy: 1.3007809937339059
Energy: 1.2999296259219253
Energy: 1.2883516965919568
Energy: 1.2852457397550425
Energy: 1.1313918695318876
Energy: 1.2854077724702075
Energy: 1.2849809807757588
Energy: 1.1185928979406021
Energy: 1.2881186286900137
Energy: 1.2093488040847165
Energy: 1.1211435112722712
Energy: 1.322815580665095
Energy: 1.1953735157638457
Energy: 1.193045901748687
Energy: 1.2264419133261433
Energy: 1.2003947493148832

minimum gb energy = 1.1155544424889867 eV
minimum distance =  2.18216550657781 Angstroms
sigma value = 33


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

Energy: 2.32229645933703
Energy: 1.2826943133302025
Energy: 1.2053154097536456
Energy: 1.2473871559175769
Energy: 1.2781452930395047
Energy: 1.3468548805199259
Energy: 1.4447145513856823
Energy: 1.4905093016524935
Energy: 1.2551980042993753
Energy: 1.228321035289529
Energy: 1.2243855355330484
Energy: 1.319733668607805
Energy: 1.3658888945697134
Energy: 1.303938969033986
Energy: 1.2993683474702242
Energy: 1.2456219235165618
Energy: 1.2993385641605362
Energy: 1.374158281862063
Energy: 1.3015041188481327
Energy: 1.2937147723655869
Energy: 1.2957860743286822
Energy: 1.4473370969868036
Energy: 1.2957523731757197
Energy: 1.304373781263209
Energy: 1.3518678675364997
Energy: 1.2940098623155332
Energy: 1.3379306355322078
Energy: 1.4179848173810834
Energy: 1.5037866156418307
Energy: 1.3420727615681347
Energy: 1.2278421681448144
Energy: 1.3633798035519353
Energy: 1.3605690189261954
Energy: 1.2277527662440797
Energy: 1.3615147949072661
Energy: 1.3652568624573742
Energy: 1.2264101958021043
Energy: 1.3632320457724754
Energy: 1.3607280362286454
Energy: 1.486933667154054
Energy: 1.3618320220202136
Energy: 1.3630853387652495
Energy: 1.2274930550921168
Energy: 1.2334557457101702
Energy: 1.2603146678006203
Energy: 1.2283074540079932
Energy: 1.3596518168129579
Energy: 1.2283608635077556
Energy: 1.3246487708645673
Energy: 1.2971781790385757
Energy: 1.3118241630345056
Energy: 1.302662592636623
Energy: 1.2963333459315205
Energy: 1.4396832741472507
Energy: 1.1675061300036345
Energy: 1.2987074785571762
Energy: 1.333733332834407
Energy: 1.3598198947625086
Energy: 1.2954331437251205
Energy: 1.3339747715703667
Energy: 1.3187960795654396
Energy: 1.341263147914642
Energy: 1.3107088291178264
Energy: 1.3185023534485067
Energy: 1.3049607892020647
Energy: 1.2392473235833232
Energy: 1.2277382893960473
Energy: 1.2196211046707697
Energy: 1.2214658889110874
Energy: 1.1976839581346912
Energy: 1.2198277460994773
Energy: 1.2217565278997924
Energy: 1.2018150497045033
Energy: 1.2208050395522447
Energy: 1.239548983101427
Energy: 1.198155666853019
Energy: 1.2403671854617973
Energy: 1.222002594934475
Energy: 1.2881447843901415
Energy: 1.2872336800012554
Energy: 1.3073707265023145
Energy: 1.3666613066810518
Energy: 1.3176189418436768
Energy: 1.2007648839233092
Energy: 1.2251173937934512
Energy: 1.3455692984307472
Energy: 1.3841681367523306
Energy: 1.3289182592207127
Energy: 1.3475718514879762
Energy: 1.3445807954095788
Energy: 1.247905796436642
Energy: 1.3467874208199286
Energy: 1.3568445823666004
Energy: 1.438759253607065
Energy: 1.344783947919237
Energy: 1.4180558409169037
Energy: 1.2833499831314148
Energy: 1.1989816447407162
Energy: 1.4851171908216325
Energy: 1.3662945789992724
Energy: 1.384375935494363
Energy: 1.2880460392631552
Energy: 1.1653857529419347
Energy: 1.3473421236849883
Energy: 1.344882577114046
Energy: 1.4376448760253338
Energy: 1.3479025194771952
Energy: 1.3599703445980063
Energy: 1.1653272625055306
Energy: 1.3458268215563465
Energy: 1.3457736007495513
Energy: 1.3635136761381206
Energy: 1.345627037894157
Energy: 1.3471904080292376
Energy: 1.202124519082245
Energy: 1.2036155227421308
Energy: 1.3236357617229966
Energy: 1.3695830651316383
Energy: 1.5010116163992353
Energy: 1.2030499017266154
Energy: 1.203466914517257
Energy: 1.2448758338450798
Energy: 1.2639739650086268
Energy: 1.4263836587969936
Energy: 1.2504529979698014
Energy: 1.2022093969438516
Energy: 1.2291564940606414
Energy: 1.2253860309930087
Energy: 1.360333660193919
Energy: 1.2669082015659352
Energy: 1.2248564797326873
Energy: 1.253507563801862
Energy: 1.4172554596255613
Energy: 1.5012770173894343
Energy: 1.3121404732373871
Energy: 1.320245610830693
Energy: 1.3002147967136335
Energy: 1.3502721933561237
Energy: 1.198564359929945
Energy: 1.2979401069449898
Energy: 1.3773935638339079
Energy: 1.3042911718614
Energy: 1.2992084976750322
Energy: 1.349807177256825
Energy: 1.4175864355751362
Energy: 1.5009904646149572
Energy: 1.295415790918512
Energy: 1.3402190777189287
Energy: 1.3032557108417393
Energy: 1.3474382499159452
Energy: 1.2268665840955004
Energy: 1.3627723863421657
Energy: 1.362844776446305
Energy: 1.2271664510187306
Energy: 1.3624660550213694
Energy: 1.261762437784977
Energy: 1.2841954154560016
Energy: 1.3600514778048431
Energy: 1.3613684597363094
Energy: 1.4352450295341521
Energy: 1.3642581647629133
Energy: 1.3620620783159891
Energy: 1.2267247480874568
Energy: 1.3686257245572584
Energy: 1.2270724619858415
Energy: 1.226712086509762
Energy: 1.3620525514979136
Energy: 1.3974758816479094
Energy: 1.304535088175064
Energy: 1.3234461104081319
Energy: 1.4262519829059996
Energy: 1.3572875173885077
Energy: 1.3006770749120513
Energy: 1.3913897175226835
Energy: 1.3279683419998707
Energy: 1.3376607041249344
Energy: 1.3324235734077121
Energy: 1.4018038822052705
Energy: 1.2995554660688742
Energy: 1.389805622410703
Energy: 1.3180949063436196
Energy: 1.2997900104344577
Energy: 1.3511093556308602
Energy: 1.3191194515635531
Energy: 1.2984323720745201
Energy: 1.3459618567481777
Energy: 1.392041568128858
Energy: 1.2469339142894191
Energy: 1.2516757551129554
Energy: 1.248860918440524
Energy: 1.2242385179519826
Energy: 1.5516279418051133
Energy: 1.2939314458646314
Energy: 1.2325752027923362
Energy: 1.2332526579817598
Energy: 1.20158616610313
Energy: 1.2207888975846444
Energy: 1.2978626977814043
Energy: 1.368600481827013
Energy: 1.3059128137688156
Energy: 1.2687903984065614
Energy: 1.2014215850831105
Energy: 1.221247683206887
Energy: 1.3213129373298447
Energy: 1.3289028427060308
Energy: 1.3851229990677614
Energy: 1.343878904950297
Energy: 1.2256300292162217
Energy: 1.3469106244226297
Energy: 1.4247780355192117
Energy: 1.3265435661414968
Energy: 1.3461825808688856
Energy: 1.3448570745852604
Energy: 1.2459959221332533
Energy: 1.3441361878233338
Energy: 1.3563256006689624
Energy: 1.3194857969302238
Energy: 1.335773077647052
Energy: 1.199061931588078
Energy: 1.3812492940870171
Energy: 1.1996370083085561
Energy: 1.3424786740075187
Energy: 1.3291474258388407
Energy: 1.3458780666593475
Energy: 1.34649719439189
Energy: 1.1669971158564032
Energy: 1.3450964073261955
Energy: 1.4149366645410681
Energy: 1.3304616293612652
Energy: 1.3441921802876593
Energy: 1.3444691682851269
Energy: 1.2987140041155296
Energy: 1.3475996125604606
Energy: 1.4462854955648483
Energy: 1.3679044477374087
Energy: 1.3023551316855695
Energy: 1.2031396598334572
Energy: 1.204323393532301
Energy: 1.2025867536971375
Energy: 1.3083724776933026
Energy: 1.1639011092565297
Energy: 1.2486858619284564
Energy: 1.2422424627245008
Energy: 1.202698473329859
Energy: 1.247409872653555
Energy: 1.3352125580518694

minimum gb energy = 1.1639011092565297 eV
minimum distance =  2.19991489265389 Angstroms
sigma value = 51


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

Energy: 2.1657008412254517
Energy: 1.3602740179337824
Energy: 1.4220440460467156
Energy: 1.3151169250249237
Energy: 1.3453358871763899
Energy: 1.3594105303126478
Energy: 1.1849203532286983
Energy: 1.381082408899012
Energy: 1.2907493384100774
Energy: 1.3637226300440377
Energy: 1.2801649331983398
Energy: 1.276605941707372
Energy: 1.3191628703340237
Energy: 1.279951901900755
Energy: 1.273592110698445
Energy: 1.3085965309370209
Energy: 1.2957761544932633
Energy: 1.2819164174867694
Energy: 1.3279468949644664
Energy: 1.2736114258622158
Energy: 1.2725226583164804
Energy: 1.3075370754730764
Energy: 1.2754862068353476
Energy: 1.279495154841027
Energy: 1.3325889367724952
Energy: 1.282799118410983
Energy: 1.304198041705917
Energy: 1.3102470035289462
Energy: 1.4183608821201084
Energy: 1.284602166247257
Energy: 1.3356262223933173
Energy: 1.3703529091919733
Energy: 1.3689562877483752
Energy: 1.3595663740785375
Energy: 1.3704300606972273
Energy: 1.3702925971581719
Energy: 1.3956999908927448
Energy: 1.3714156519544323
Energy: 1.370462270249116
Energy: 1.4472885863991216
Energy: 1.3720730282098674
Energy: 1.3988688165331504
Energy: 1.434966676713825
Energy: 1.4330337102477957
Energy: 1.3770190651599588
Energy: 1.327136709905935
Energy: 1.3706639537324878
Energy: 1.2852259445427778
Energy: 1.185138842743721
Energy: 1.27964958385596
Energy: 1.2764457538485512
Energy: 1.3096196452443467
Energy: 1.304905147350686
Energy: 1.3467711619075449
Energy: 1.1582700230875291
Energy: 1.2715588932791377
Energy: 1.3733601898741996
Energy: 1.3542855270032461
Energy: 1.2745080694417812
Energy: 1.3470842974435424
Energy: 1.3355001103871775
Energy: 1.309929356896176
Energy: 1.303532948252778
Energy: 1.3337943965802452
Energy: 1.3053573225118769
Energy: 1.291870655909838
Energy: 1.3490373509578895
Energy: 1.277479096804897
Energy: 1.285785161379236
Energy: 1.371088052922065
Energy: 1.2839395758102354
Energy: 1.2790241845993966
Energy: 1.3407903245691162
Energy: 1.2794228037210582
Energy: 1.2869001747177595
Energy: 1.3712654689563304
Energy: 1.2848438448420718
Energy: 1.278947650986321
Energy: 1.3090802483545836
Energy: 1.2847133562330384
Energy: 1.308824443148197
Energy: 1.4355672196743519
Energy: 1.3068041308857912
Energy: 1.388370420797261
Energy: 1.3822294622936537
Energy: 1.3710903504734968
Energy: 1.375359848462242
Energy: 1.504196269456103
Energy: 1.3704762859127941
Energy: 1.3707996246756586
Energy: 1.3321052529827968
Energy: 1.3714195565718044
Energy: 1.3697215679658359
Energy: 1.4477507966319847
Energy: 1.3732001162946512
Energy: 1.3718910862932114
Energy: 1.3198906045800913
Energy: 1.304995096525459
Energy: 1.3781453068546172
Energy: 1.3094239652560042
Energy: 1.3070760610995271
Energy: 1.3095864960124235
Energy: 1.157872157753025
Energy: 1.2847860144732148
Energy: 1.2780510557086464
Energy: 1.3095911615021536
Energy: 1.272582712268414
Energy: 1.3470128668235088

minimum gb energy = 1.157872157753025 eV
minimum distance =  2.20621459171545 Angstroms
sigma value = 19


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

Energy: 2.002573263752329
Energy: 1.3744004825837055
Energy: 1.4296983441997364
Energy: 1.3010196777831833
Energy: 1.397749777146002
Energy: 1.3861155415275515
Energy: 1.2820644199808275
Energy: 1.5437320630896192
Energy: 1.301909289707893
Energy: 1.340889688774325
Energy: 1.3625233466083722
Energy: 1.4775593353400065
Energy: 1.4438206223444303
Energy: 1.413202024738747
Energy: 1.464905533991894
Energy: 1.4144059690995727
Energy: 1.4137782129021397
Energy: 1.4915166906615838
Energy: 1.4729427239748587
Energy: 1.4168832082614986
Energy: 1.4142944597497604
Energy: 1.4497189263844563
Energy: 1.4135665628882856
Energy: 1.5003466908778174
Energy: 1.4911880104794926
Energy: 1.4306280252990828
Energy: 1.4819818974097039
Energy: 1.3378987603713655
Energy: 1.5191350896119702
Energy: 1.5307514049876232
Energy: 1.4803330381694841
Energy: 1.4582344252392614
Energy: 1.4895533592923955
Energy: 1.2792904146489652
Energy: 1.464801988045895
Energy: 1.4811822186670585
Energy: 1.5190725295710186
Energy: 1.4393670729941297
Energy: 1.470568736622913
Energy: 1.4573915756354314
Energy: 1.4169987076988129
Energy: 1.524806802555731
Energy: 1.3649101173236904
Energy: 1.414449241396429
Energy: 1.4781648502236728
Energy: 1.3379024962866297
Energy: 1.4647065594990705
Energy: 1.450679233146636
Energy: 1.3338062451429153
Energy: 1.3626692215155671
Energy: 1.2979193626949599
Energy: 1.337307150840204
Energy: 1.3068538217441643
Energy: 1.4769503472482897
Energy: 1.337462643208216
Energy: 1.3106404618354477
Energy: 1.315351806616059
Energy: 1.300447682195069
Energy: 1.2968980254232254
Energy: 1.4179452109403474
Energy: 1.3658057079521841
Energy: 1.4697375566887247
Energy: 1.3628170392280141
Energy: 1.342215657777962
Energy: 1.3618962473094118
Energy: 1.44177788164953
Energy: 1.4430020245934776
Energy: 1.5030944175485432
Energy: 1.4649163980575057
Energy: 1.484183550215222
Energy: 1.4594490085286111
Energy: 1.475431498112123
Energy: 1.5604609736201402
Energy: 1.4652720912262243
Energy: 1.493078258876093
Energy: 1.4808242929239628
Energy: 1.473256308693158
Energy: 1.5278977172633872
Energy: 1.3643950070289759
Energy: 1.4703606823044892
Energy: 1.4697751640872645
Energy: 1.3655080195238554
Energy: 1.4695582254189827
Energy: 1.4835065144698747
Energy: 1.2988588969498285
Energy: 1.319302426233559
Energy: 1.43394022433322
Energy: 1.4446650050605845
Energy: 1.366120272819862
Energy: 1.3500734573259894
Energy: 1.3403262273294732
Energy: 1.2981492555892211
Energy: 1.3602240745219532
Energy: 1.3289105064018858
Energy: 1.295598835018462
Energy: 1.3440957620216905
Energy: 1.278828002096698
Energy: 1.3630569624840647
Energy: 1.46901616641223
Energy: 1.3654604497842113
Energy: 1.469336836426386
Energy: 1.299620325078655
Energy: 1.4846726247706474
Energy: 1.4191169516030913
Energy: 1.4910940408183853
Energy: 1.5074012042254883
Energy: 1.4159346073293742
Energy: 1.413216334972276
Energy: 1.4490778563455355
Energy: 1.413527798344996
Energy: 1.412786604710995
Energy: 1.4696756180845816
Energy: 1.4151593126681072
Energy: 1.4650999283451194
Energy: 1.3371312286400279
Energy: 1.4710831431658582
Energy: 1.4329551306228516
Energy: 1.4718013814949413
Energy: 1.4705100541563738
Energy: 1.3774324788495684
Energy: 1.3309152877613823
Energy: 1.413597260937796
Energy: 1.4494421241864164
Energy: 1.4699958481890838
Energy: 1.4130772134530767
Energy: 1.489295190348768
Energy: 1.214526543540879
Energy: 1.4134933991961063
Energy: 1.4385612649788444
Energy: 1.5299726609711843
Energy: 1.4427410512014651
Energy: 1.4572516514633655
Energy: 1.3441687034633873
Energy: 1.4220902966109734
Energy: 1.5089576261532291
Energy: 1.364440563971335
Energy: 1.4653009653095388
Energy: 1.3674345388888194
Energy: 1.3406548186890865
Energy: 1.2971760444836882
Energy: 1.4170095725658927
Energy: 1.3321354039613897
Energy: 1.3046100797847708
Energy: 1.3405166569041793
Energy: 1.2993425630363393
Energy: 1.2957688734508763
Energy: 1.305374610019357
Energy: 1.3323386353684026
Energy: 1.3021658152717048
Energy: 1.2999706152081518
Energy: 1.301713480644281
Energy: 1.4894248040557132
Energy: 1.5048923465394803
Energy: 1.3639344401013294
Energy: 1.4653801156164326
Energy: 1.368596295045906
Energy: 1.4774091927900963
Energy: 1.461022026191994
Energy: 1.4888468992017787
Energy: 1.480792483269363
Energy: 1.4886251567800324
Energy: 1.4651326928987607
Energy: 1.4412490086053953
Energy: 1.4591240580111466
Energy: 1.4703668606595774
Energy: 1.5617101117915135
Energy: 1.4530133138536159
Energy: 1.4910334208208988
Energy: 1.3642040005265692
Energy: 1.4691201551157052
Energy: 1.4048085561366637
Energy: 1.3020215052617543
Energy: 1.4810982441140486
Energy: 1.4130971637194
Energy: 1.211772281337648
Energy: 1.3089757868698049
Energy: 1.308223370687372
Energy: 1.2994807681702143
Energy: 1.2980186758802987
Energy: 1.3589088928373005

minimum gb energy = 1.211772281337648 eV
minimum distance =  2.18585479925009 Angstroms
sigma value = 27


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

Energy: 1.637927765999825
Energy: 1.3575930874234647
Energy: 1.4930967162638356
Energy: 1.2249545384465108
Energy: 1.4323232067217564
Energy: 1.5458565063291614
Energy: 1.167230870674186
Energy: 1.4512581672108735
Energy: 1.3642629838834854
Energy: 1.1889454028566333
Energy: 1.3114890411096831
Energy: 1.4623214247576415
Energy: 1.1903370829109805
Energy: 1.3336282811380553
Energy: 1.3566055097581107
Energy: 1.1844933958916921
Energy: 1.315869842525697
Energy: 1.3643672806612388
Energy: 1.3193765243631705
Energy: 1.3124485441666185
Energy: 1.3162666471646571
Energy: 1.370804870449965
Energy: 1.314927842587128
Energy: 1.3093525744302377
Energy: 1.1874845748067693
Energy: 1.305667393518954
Energy: 1.482658516869415
Energy: 1.187114311321157
Energy: 1.3737152644332982
Energy: 1.3068263171263856
Energy: 1.223452542113064
Energy: 1.313903115177283
Energy: 1.4507472447535918
Energy: 1.1892956663737908
Energy: 1.3787297082148713
Energy: 1.373840626975207
Energy: 1.2268913476957937
Energy: 1.3090109481748797
Energy: 1.357828972759845
Energy: 1.6357143963199972
Energy: 1.3109860026421052
Energy: 1.4910546048386981
Energy: 1.1878870090242428
Energy: 1.364414884892465
Energy: 1.4534791357228116
Energy: 1.1889115188543873
Energy: 1.380645708965331
Energy: 1.36541839509043
Energy: 1.1881359537825582
Energy: 1.314721914952835
Energy: 1.3316853196148386
Energy: 1.1891822229628588
Energy: 1.3169197296686683
Energy: 1.379559717568182
Energy: 1.3354068022604846
Energy: 1.314551362843417
Energy: 1.3109318823188834
Energy: 1.3712332172864061
Energy: 1.3146343324457979
Energy: 1.3133899663168704
Energy: 1.1879305699072598
Energy: 1.3793524766140444
Energy: 1.3048232338297798
Energy: 1.1876600296863007
Energy: 1.4492417356757405
Energy: 1.5419473619573087
Energy: 1.1892027262681588
Energy: 1.3827001771325542
Energy: 1.3079824719788773
Energy: 1.2199800772004827
Energy: 1.3101375231703085
Energy: 1.4506641987138034

minimum gb energy = 1.167230870674186 eV
minimum distance =  2.23280933007319 Angstroms
sigma value = 9


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

Energy: 1.3520042371478582
Energy: 1.375839617540409
Energy: 1.2593201221361123
Energy: 1.3831497618040076
Energy: 1.2988972051794492
Energy: 1.4421524766451705
Energy: 1.3699555622328035
Energy: 1.504990852518338
Energy: 1.2968948302455152
Energy: 1.2976472987609975
Energy: 1.2964616648164986
Energy: 1.3712693827760218
Energy: 1.4207752791393051
Energy: 1.4862376625365532
Energy: 1.483537195098923
Energy: 1.2959498949882309
Energy: 1.4931829423244252
Energy: 1.544046822689769
Energy: 1.221045465338972
Energy: 1.4855644256626301
Energy: 1.4849841800827246
Energy: 1.3003750187276353
Energy: 1.4804926742766178
Energy: 1.484195591351251
Energy: 1.344322993834429
Energy: 1.4840502276429164
Energy: 1.4840082327542807
Energy: 1.4180778156476819
Energy: 1.4842673632033352
Energy: 1.5101312992432983
Energy: 1.3414253486610397
Energy: 1.296472000782495
Energy: 1.5333841355057058
Energy: 1.374068084842278
Energy: 1.299358289648223
Energy: 1.297586870750507
Energy: 1.2743993555019417
Energy: 1.2991836932313587
Energy: 1.397194341636666
Energy: 1.4489304850630993
Energy: 1.298852882349116
Energy: 1.271603392150718
Energy: 1.2539994626210378
Energy: 1.2965430401141202
Energy: 1.5345963448536646
Energy: 1.3738488482136821
Energy: 1.3010088968209776
Energy: 1.2587938630274191
Energy: 1.2734080251997144
Energy: 1.4634079964115447
Energy: 1.5206348070423852
Energy: 1.371180976413367
Energy: 1.4514731868800366
Energy: 1.4956452986336601
Energy: 1.2757090436924008
Energy: 1.464291381441771
Energy: 1.4493733347252393
Energy: 1.3617884708885248
Energy: 1.452799920381035
Energy: 1.472151269989777
Energy: 1.3742706319863365
Energy: 1.485766971403085
Energy: 1.4495352442609335
Energy: 1.3619562085987025
Energy: 1.4501201187480957
Energy: 1.476468595213756
Energy: 1.3749774842470754
Energy: 1.5433569328374932
Energy: 1.399357613982896
Energy: 1.371224898191013
Energy: 1.3992055570128699
Energy: 1.3730857761253827
Energy: 1.3377834430960216
Energy: 1.3985551316670803
Energy: 1.3900488490634988
Energy: 1.3257926410661884
Energy: 1.400967933937105
Energy: 1.4887747431551008
Energy: 1.3766667523074052
Energy: 1.3964538538562814
Energy: 1.3721025333579122
Energy: 1.3543353852778932
Energy: 1.3989546463249851
Energy: 1.4643547549813125
Energy: 1.3787673991276954
Energy: 1.5732781578397137
Energy: 1.3841032004639875
Energy: 1.32671513526487
Energy: 1.3999788520849672
Energy: 1.4948599210936624
Energy: 1.4586327910671966
Energy: 1.3955783827081447
Energy: 1.4072658890013305
Energy: 1.3550680836316757
Energy: 1.3983993849453917
Energy: 1.4258379662371652
Energy: 1.3762079517988117
Energy: 1.3991079420624146
Energy: 1.3982849586183415
Energy: 1.3690996782430678
Energy: 1.3977065862393672
Energy: 1.4243782408650394
Energy: 1.3737255165137816
Energy: 1.4538782779225214
Energy: 1.5188141852762085
Energy: 1.3711409992775812
Energy: 1.4493227986146118
Energy: 1.2988785024998377
Energy: 1.2719146016525371
Energy: 1.473061871599243
Energy: 1.4907778888005825
Energy: 1.394448778362213
Energy: 1.4605778731022785
Energy: 1.5023011173138754
Energy: 1.276036841491689
Energy: 1.458026420139901
Energy: 1.52024383895743
Energy: 1.3707744866612577
Energy: 1.4491912609373963
Energy: 1.4862800218051484
Energy: 1.271568690350652
Energy: 1.2631594678773168
Energy: 1.5401096782258648
Energy: 1.3689474154383674
Energy: 1.518728639582461
Energy: 1.2583235534779982
Energy: 1.2568782540113648
Energy: 1.2963975876321114
Energy: 1.3655673132194535
Energy: 1.3689347382830834
Energy: 1.2965451149856997
Energy: 1.2582734379700156
Energy: 1.34186591991681
Energy: 1.2955536447166134
Energy: 1.4499215657953106
Energy: 1.3676406272738264
Energy: 1.2948727020643833
Energy: 1.2946452975374672
Energy: 1.3433073439158212
Energy: 1.4888159444391142
Energy: 1.5203913511918872
Energy: 1.3692669256147965
Energy: 1.5007341137147512
Energy: 1.2967666506386843
Energy: 1.3436235744878766
Energy: 1.5050873987457676
Energy: 1.4875359555425878
Energy: 1.2962798177121952
Energy: 1.4845780554641033
Energy: 1.5364803391416282
Energy: 1.343874978305882
Energy: 1.4839709055787327
Energy: 1.4852981984707072
Energy: 1.2230450014549643
Energy: 1.48441958007798
Energy: 1.483903725422368
Energy: 1.4210238430415973
Energy: 1.4755782872768282
Energy: 1.295643437214291
Energy: 1.29662916319422
Energy: 1.29749024830401
Energy: 1.3713221458690177
Energy: 1.4210449274598538
Energy: 1.2957136645188467
Energy: 1.2996879542302517
Energy: 1.3346312317925442
Energy: 1.2983277780261775
Energy: 1.3975692180220312
Energy: 1.371274422652246
Energy: 1.2980136851383586
Energy: 1.2949205936881232
Energy: 1.257520919943501
Energy: 1.2962815034727277
Energy: 1.396603401963044
Energy: 1.4192613291113518
Energy: 1.5230634153727243
Energy: 1.3631432192241395
Energy: 1.2721039111993788
Energy: 1.492927710207186
Energy: 1.6129415397873317
Energy: 1.4632835842580578
Energy: 1.449795432783771
Energy: 1.4715361778848033
Energy: 1.2721550400699504
Energy: 1.449560700696959
Energy: 1.4507340828221937
Energy: 1.4604491132213684
Energy: 1.4585724992486133
Energy: 1.5081685115044048
Energy: 1.2768411965256143
Energy: 1.4641633850091618
Energy: 1.472074631735224
Energy: 1.4254744241072113
Energy: 1.396753475324378
Energy: 1.412022787361937
Energy: 1.3714490557153232
Energy: 1.4558047505768918
Energy: 1.3690815113491102
Energy: 1.3758198452102433
Energy: 1.3987199510032868
Energy: 1.3966999417510064
Energy: 1.3650800618281873
Energy: 1.399578039747453
Energy: 1.4654743333631326
Energy: 1.3577898128492214
Energy: 1.3971578390455468
Energy: 1.3961215092052468
Energy: 1.367229933988713
Energy: 1.3960551824033398
Energy: 1.3762284542705423
Energy: 1.3226186500478438
Energy: 1.4706057415947398
Energy: 1.5729046684093335
Energy: 1.3711640580933655
Energy: 1.5640196241123876
Energy: 1.3969730278038195
Energy: 1.3591397951618422
Energy: 1.395933579392164
Energy: 1.3974860688021342
Energy: 1.370379484652793
Energy: 1.3983982880020065
Energy: 1.4062060787423951
Energy: 1.337114334474395
Energy: 1.4226943066073072
Energy: 1.4245428095961348
Energy: 1.362206342784819
Energy: 1.3975471331723204
Energy: 1.4825199989473794
Energy: 1.4197300063586271
Energy: 1.3960938660737008
Energy: 1.4400918468245565
Energy: 1.3729169575885236
Energy: 1.449701112854811
Energy: 1.371523438655439
Energy: 1.3404103714779008
Energy: 1.4556831178109564
Energy: 1.5131090957517117
Energy: 1.299614109861602
Energy: 1.4650922517856788
Energy: 1.4496357262008632
Energy: 1.4242693771149135
Energy: 1.4506050700876598
Energy: 1.486589182543447
Energy: 1.359998752634058
Energy: 1.4485694936526639
Energy: 1.4493831912369595
Energy: 1.4181574380427575
Energy: 1.5218747296390454
Energy: 1.493906173645865
Energy: 1.2740752936193016
Energy: 1.4843290659596118
Energy: 1.5451114032569921
Energy: 1.3782608138143044
Energy: 1.2958933514716957
Energy: 1.295034719073208
Energy: 1.2564172709346129
Energy: 1.295454907237248
Energy: 1.5913827498619932

minimum gb energy = 1.221045465338972 eV
minimum distance =  2.20943149460727 Angstroms
sigma value = 57


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

Energy: 2.6006595795843603
Energy: 1.422655658873549
Energy: 1.2011107279646747
Energy: 1.205840610953517
Energy: 1.4674640690924705
Energy: 1.379341393856184
Energy: 1.6972685296140455
Energy: 1.4678633088696655
Energy: 1.1740547229221936
Energy: 1.1739155099832137
Energy: 1.3294492558760371
Energy: 1.4282138522580399
Energy: 1.4851564371357955
Energy: 1.362308521974463
Energy: 1.4489999760359458
Energy: 1.176091057561766
Energy: 1.4500235244224062
Energy: 1.3514858521411097
Energy: 1.274515408644855
Energy: 1.4543053108067616
Energy: 1.4493301333183897
Energy: 1.3782642331898636
Energy: 1.4505382224112866
Energy: 1.350097703163656
Energy: 1.2772096294836415
Energy: 1.3728560333485964
Energy: 1.4757580692069678
Energy: 1.232038187009543
Energy: 1.4772708424069334
Energy: 1.352680026786554
Energy: 1.48434769574786
Energy: 1.304745265269186
Energy: 1.4152437369022957
Energy: 1.1175343665951807
Energy: 1.3069621635439992
Energy: 1.3051331835521245
Energy: 1.3727731621053334
Energy: 1.3054375223422217
Energy: 1.3039414296524796
Energy: 1.469357039544304
Energy: 1.3056647298103499
Energy: 1.3053663247493363
Energy: 1.4169910427127976
Energy: 1.3028195679590995
Energy: 1.4603776678424432
Energy: 1.1195093438372377
Energy: 1.3033431202145884
Energy: 1.312326415013338
Energy: 1.3671547953725198
Energy: 1.27472802110047
Energy: 1.465585265743617
Energy: 1.1168269942339355
Energy: 1.4593180941397497
Energy: 1.2836007266721403
Energy: 1.3318404750009323
Energy: 1.3940689062178078
Energy: 1.3941505012190702
Energy: 1.3939489888640553
Energy: 1.3943368999982484
Energy: 1.2744533107132698
Energy: 1.3313645357387007
Energy: 1.273338289565795
Energy: 1.3943802987059428
Energy: 1.1188190694130626
Energy: 1.3939201177597116
Energy: 1.267732584370431
Energy: 1.6678736857765437
Energy: 1.441856789413207
Energy: 1.343464639451109
Energy: 1.1165919283157064
Energy: 1.456562688783419
Energy: 1.4487470472948891
Energy: 1.617181526127777
Energy: 1.4618068508145436
Energy: 1.3588452162508096
Energy: 1.1163007889524368
Energy: 1.4610318132161981
Energy: 1.4355717882210424
Energy: 1.6687708483267543
Energy: 1.4386775422647027
Energy: 1.3598204373802993
Energy: 1.2710755786627947
Energy: 1.4363220196274709
Energy: 1.4416759994881125
Energy: 1.4850012475366987
Energy: 1.4363221016146515
Energy: 1.1176869637535705
Energy: 1.2292155690194297
Energy: 1.373823816593659
Energy: 1.3137178525694453
Energy: 1.5557603467195253
Energy: 1.3207423152889506
Energy: 1.3379286762341187
Energy: 1.2310066375412196
Energy: 1.3403015639599871
Energy: 1.4773550378879026
Energy: 1.5542331153641789
Energy: 1.3205490446964732
Energy: 1.3015899964255038
Energy: 1.2010483397963732
Energy: 1.3009356223874222
Energy: 1.321124524946113
Energy: 1.7699121918236171
Energy: 1.4617322522915503
Energy: 1.2007406837209553
Energy: 1.1997321799452456
Energy: 1.3029318412398594
Energy: 1.4271262540143455
Energy: 1.6935797744981562
Energy: 1.329423076570794
Energy: 1.3288317567467947
Energy: 1.2008659154427197
Energy: 1.3284562970760865
Energy: 1.459825193856087

minimum gb energy = 1.1163007889524368 eV
minimum distance =  2.18188865332609 Angstroms
sigma value = 11


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

Energy: 1.8060622892929261
Energy: 1.2963494969561347
Energy: 1.0745273946812524
Energy: 1.1828173135350668
Energy: 1.1879377671800784
Energy: 1.2970099222726161
Energy: 1.9955716437208788
Energy: 1.3229027002500509
Energy: 1.2366237195634835
Energy: 1.2343268101640006
Energy: 1.1840696529137964
Energy: 1.353320905519233
Energy: 1.4583891966740203
Energy: 1.3202747111938764
Energy: 1.3239193038983916
Energy: 1.2377793396414756
Energy: 1.3204317628732796
Energy: 1.3503822691241154
Energy: 1.5300053022114606
Energy: 1.3205003323813063
Energy: 1.3231928803575173
Energy: 1.2379392917473977
Energy: 1.3200170845257573
Energy: 1.344547400938569
Energy: 1.5205719599964989
Energy: 1.3204741999052583
Energy: 1.3211389058892853
Energy: 1.3460902275911057
Energy: 1.319702760764624
Energy: 1.3450410150711096
Energy: 1.4611950939139084
Energy: 1.3239405837124223
Energy: 1.3222655433421104
Energy: 1.3477435598625669
Energy: 1.321243551436311
Energy: 1.3854609114565537
Energy: 1.2589626740355488
Energy: 1.234805445913047
Energy: 1.3223314151563836
Energy: 1.2375426597280752
Energy: 1.321964851892672
Energy: 1.2331266780000065
Energy: 1.0627570619578994
Energy: 1.3218986976798393
Energy: 1.3211860711512597
Energy: 1.32160096302163
Energy: 1.3258859535535272
Energy: 1.237054617482017
Energy: 1.2732968237484918
Energy: 1.1839328408629344
Energy: 1.3518847676060364
Energy: 1.3929148226688077
Energy: 1.3217348906098143
Energy: 1.1888017602375647
Energy: 1.2550100313502301
Energy: 1.1814149886594403
Energy: 1.1806585444769695
Energy: 1.322113972899441
Energy: 1.1830401550278966
Energy: 1.1843066603139032
Energy: 1.074226049980849
Energy: 1.1789588380436236
Energy: 1.1791883183879577
Energy: 1.3225987092483673
Energy: 1.1795203056870636
Energy: 1.1792601213716494
Energy: 1.0688806001003925
Energy: 1.181727542885002
Energy: 1.3505289992830327
Energy: 1.3504686569736584
Energy: 1.2921561004091793
Energy: 1.0751248766691477
Energy: 1.076264071450655
Energy: 1.1772730112137209
Energy: 1.325447494424007
Energy: 1.386416725907354
Energy: 1.182258872647884
Energy: 1.0735793280881878
Energy: 1.0659658682725928
Energy: 1.2354055402289394
Energy: 1.2839130746456797
Energy: 1.3451193103132923
Energy: 1.184334562749831
Energy: 1.23482248029217
Energy: 1.2583015290913142
Energy: 1.1807154509228763
Energy: 1.3501872124745042
Energy: 1.3222368103383166
Energy: 1.3219317938013018
Energy: 1.2397068561155713
Energy: 1.2609150926251673
Energy: 1.3203429241736397
Energy: 1.3256553234670956
Energy: 1.385967832493879
Energy: 1.3217847702161512
Energy: 1.3211415525721417
Energy: 1.2753863396587055
Energy: 1.324263135566368
Energy: 1.3452933168333319
Energy: 1.345006919310494
Energy: 1.320389062686719
Energy: 1.234307101629848
Energy: 1.4509121103259486
Energy: 1.3215312861397677
Energy: 1.370764130206104
Energy: 1.4063740584861035
Energy: 1.3207155713985137
Energy: 1.3220571369995373
Energy: 1.7323757437930973
Energy: 1.3210502374089184
Energy: 1.3848937161468173
Energy: 1.3467581998138727
Energy: 1.32115217165314
Energy: 1.3673815784609602
Energy: 1.2631182449140568
Energy: 1.320810842075162
Energy: 1.234839583453695
Energy: 1.1814891928582871
Energy: 1.3227332035697776
Energy: 1.321459165086408
Energy: 1.722307403273576
Energy: 1.320284451382789
Energy: 1.2370922163009117
Energy: 1.065829774166906
Energy: 1.3198271776580353
Energy: 1.3174792524433272
Energy: 1.469137749910253
Energy: 1.3226005738821893
Energy: 1.1827696892217514
Energy: 1.2429130490197609
Energy: 1.1828813633597104
Energy: 1.3505190799467082
Energy: 1.7580022625305534
Energy: 1.1819689020669024
Energy: 1.1826037012401116
Energy: 1.0671088658842882
Energy: 1.182928625846312
Energy: 1.32003140849905
Energy: 1.7567664367870843
Energy: 1.1785602502679664
Energy: 1.1794953876816174
Energy: 1.0766909002767875
Energy: 1.177317430655246
Energy: 1.3256439049851287
Energy: 1.4508926104979876
Energy: 1.293887592961502
Energy: 1.073292050376605
Energy: 1.070382902395857
Energy: 1.1841799041441334
Energy: 1.349661603750143
Energy: 1.994742904134851
Energy: 1.1839650730024134
Energy: 1.0715034322564743
Energy: 1.0741495304447923
Energy: 1.1809870542150784
Energy: 1.2834293660796998

minimum gb energy = 1.0627570619578994 eV
minimum distance =  2.17316580102385 Angstroms
sigma value = 41


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

Energy: 1.8746945325255178
Energy: 1.1838486945349964
Energy: 0.9968213877951337
Energy: 0.9957312376112564
Energy: 1.0855281790408222
Energy: 1.2442670981985664
Energy: 1.7082552403960032
Energy: 1.204930285555645
Energy: 1.1257966210588002
Energy: 1.122874437506048
Energy: 1.0893329553985769
Energy: 1.2351472559448968
Energy: 1.7171862507533961
Energy: 1.24876542541464
Energy: 1.2043342768416159
Energy: 1.1538138143234644
Energy: 1.2040637926131856
Energy: 1.2827798976014855
Energy: 1.7492761598702824
Energy: 1.2035479674230707
Energy: 1.204516426725873
Energy: 1.1533814740672046
Energy: 1.2034737604618169
Energy: 1.2311576022403425
Energy: 1.728811874507208
Energy: 1.203139367102405
Energy: 1.2040242403334216
Energy: 1.247577640027141
Energy: 1.2032585935836235
Energy: 1.2294116513303885
Energy: 1.713596442126475
Energy: 1.2388240143477598
Energy: 1.25944034976352
Energy: 1.2765210635645812
Energy: 1.238801473558705
Energy: 1.2393206116180324
Energy: 1.4967366941774707
Energy: 1.23919519785812
Energy: 1.2386774732670256
Energy: 1.2389487561288322
Energy: 1.2384146109422085
Energy: 1.23891389267269
Energy: 1.278665089334366
Energy: 1.2391996886487757
Energy: 1.2388859001650296
Energy: 1.204238876856455
Energy: 1.251653537608072
Energy: 1.2293114966662608
Energy: 1.4950392922191156
Energy: 1.2593808238017956
Energy: 1.239832703312464
Energy: 1.2392910338348473
Energy: 1.239065062048033
Energy: 1.203881249492968
Energy: 1.4945250314882557
Energy: 1.2459509384895313
Energy: 1.2034610936121757
Energy: 1.2381161286409146
Energy: 1.2044570258211045
Energy: 1.2472842530297772
Energy: 1.140488808440822
Energy: 1.2041227579300415
Energy: 1.2039228820062966
Energy: 1.2741977806929772
Energy: 1.2036226778039654
Energy: 1.1361007470060287
Energy: 1.1448141730737222
Energy: 1.1356221600095107
Energy: 1.234627692120029
Energy: 1.2386261744506626
Energy: 1.2040293247722622
Energy: 1.1349684344565671
Energy: 1.1325601101696838
Energy: 1.0832963982237354
Energy: 1.2043241307275738
Energy: 1.2376222037899192
Energy: 1.0884670420383735
Energy: 1.0828048095846112
Energy: 0.9932062190303259
Energy: 1.0855026870237676
Energy: 1.2027914789372627
Energy: 1.2023530490731107
Energy: 1.0844028997233708
Energy: 0.9944078222705022
Energy: 0.9944914489768351
Energy: 1.0831357569991489
Energy: 1.235020478582716
Energy: 1.234952231303546
Energy: 1.1905593478015308
Energy: 1.0827046373352331
Energy: 0.9975313816525654
Energy: 1.0844165020903738
Energy: 1.2130764608383002
Energy: 1.234413740966143
Energy: 1.1904009416800143
Energy: 0.9951958030085185
Energy: 0.9933553733509727
Energy: 0.9961831296700813
Energy: 1.1662011491522528
Energy: 1.2307080794358298
Energy: 1.0845508299290465
Energy: 0.9952742401159707
Energy: 1.1316845805177478
Energy: 1.1186374984345615
Energy: 1.2122744589421344
Energy: 1.2298284543684583
Energy: 1.087386852301364
Energy: 1.1179189797182099
Energy: 1.1408714657504326
Energy: 1.2042303541450008
Energy: 1.2345345266246983
Energy: 1.2386575061481047
Energy: 1.2043296925434823
Energy: 1.149508760847479
Energy: 1.1437217719111905
Energy: 1.20416601430441
Energy: 1.2035620124216069
Energy: 1.2303739025749407
Energy: 1.2042644264801454
Energy: 1.2044537804655273
Energy: 1.491279293693079
Energy: 1.205770944058604
Energy: 1.2303180923124295
Energy: 1.2301914662653528
Energy: 1.203435599720439
Energy: 1.2038317907767235
Energy: 1.5056052326930949
Energy: 1.2045716623579366
Energy: 1.2407350929009406
Energy: 1.2340145539489746
Energy: 1.2389280212948446
Energy: 1.2042479380400533
Energy: 1.5078255050775986
Energy: 1.2384923868955406
Energy: 1.2511285620346473
Energy: 1.204176541747928
Energy: 1.250931472537623
Energy: 1.238385512721165
Energy: 1.5117523018565275
Energy: 1.238856396422584
Energy: 1.23848509227932
Energy: 1.283549394567435
Energy: 1.2389809842544384
Energy: 1.238854481172466
Energy: 1.717433139899259
Energy: 1.2387986191607914
Energy: 1.2394202134292995
Energy: 1.2463669729589846
Energy: 1.2388526272723195
Energy: 1.2388496451285764
Energy: 1.495476436116004
Energy: 1.2043981320921853
Energy: 1.245996249636356
Energy: 1.2463647145483399
Energy: 1.203567464438704
Energy: 1.2037903768125056
Energy: 1.485122835307507
Energy: 1.2045562280351791
Energy: 1.1361505814739064
Energy: 1.1493248782458645
Energy: 1.2038670431012055
Energy: 1.2037653985574026
Energy: 1.719633160967366
Energy: 1.212927086453062
Energy: 1.1362501925464594
Energy: 1.16002361582448
Energy: 1.2033531195545095
Energy: 1.2383713477038196
Energy: 1.7226347526934183
Energy: 1.2059827852784606
Energy: 1.0881147936005058
Energy: 1.1250836680367624
Energy: 1.0889767074446113
Energy: 1.2358501187576019
Energy: 1.6991891845450198
Energy: 1.0851461728090765
Energy: 1.087057396087837
Energy: 0.9916657735130475
Energy: 1.0849724430735561
Energy: 1.202881555470481
Energy: 1.7212541959369982
Energy: 1.08901796244966
Energy: 1.0858185513785523
Energy: 0.9954143370827712
Energy: 1.0881376144913444
Energy: 1.2350175071327456
Energy: 1.7189487741084684
Energy: 1.1923860504917805
Energy: 0.9945165662719454
Energy: 0.9945393597552006
Energy: 1.174188068672938
Energy: 1.2344212184460908
Energy: 1.7146328294584676
Energy: 1.0840283607062273
Energy: 0.9951791643035066
Energy: 0.994983510518416
Energy: 1.0841539129836022
Energy: 1.1665903916803158

minimum gb energy = 0.9916657735130475 eV
minimum distance =  2.16710974556295 Angstroms
sigma value = 33


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

Energy: 1.9406072625052395
Energy: 1.0273148074671075
Energy: 0.8899584269247915
Energy: 1.025991999165344
Energy: 0.8911361533711081
Energy: 1.0760146872079472
Energy: 2.020493317351948
Energy: 1.0690844477886392
Energy: 0.9581221038815304
Energy: 0.9772443126904867
Energy: 0.9600724578906243
Energy: 1.0698764572044706
Energy: 2.0307514747274307
Energy: 1.0681423569494475
Energy: 1.058346917306314
Energy: 0.9961546047217796
Energy: 1.0432101243191338
Energy: 1.0839019018392506
Energy: 1.7139860667165352
Energy: 1.043401564438002
Energy: 0.9852408317596273
Energy: 0.992380765097133
Energy: 1.0429219877432607
Energy: 1.0669035735608878
Energy: 1.7068614349173166
Energy: 1.041401213675631
Energy: 1.0658664193092722
Energy: 1.065818751486793
Energy: 1.0434006563635383
Energy: 1.0687778958504086
Energy: 2.0209134331855148
Energy: 1.0826285542480296
Energy: 1.0841939726142213
Energy: 1.0672956383848613
Energy: 1.08666876893849
Energy: 1.0840961431200309
Energy: 1.8434875338474714
Energy: 1.112301283078165
Energy: 1.0840065407249204
Energy: 1.1004381771606468
Energy: 1.082928419852984
Energy: 1.1098209105308612
Energy: 1.3818069014628351
Energy: 1.0824402744948847
Energy: 1.0930369110669167
Energy: 1.068187555981493
Energy: 1.0819467638333542
Energy: 1.0934797763216446
Energy: 1.86126047583753
Energy: 1.0974532446876373
Energy: 1.0825524043040322
Energy: 1.0830077548061379
Energy: 1.113692822556286
Energy: 1.0998493478201754
Energy: 1.6838407880648547
Energy: 1.0965790301644291
Energy: 1.0952333977034017
Energy: 1.0967374387520756
Energy: 1.0961538407110802
Energy: 1.0950358884621578
Energy: 1.4528416784138614
Energy: 1.0971183614470872
Energy: 1.098235104836752
Energy: 1.111002352805035
Energy: 1.0969201412305878
Energy: 1.0952138420848248
Energy: 1.4306537909966244
Energy: 1.0965307643093303
Energy: 1.0962862083658265
Energy: 1.0961786565574003
Energy: 1.09693184630591
Energy: 1.0945093252542133
Energy: 1.5305992495561476
Energy: 1.0838208140268673
Energy: 1.112359141838715
Energy: 1.0966852102347082
Energy: 1.0820827747062145
Energy: 1.0831976059619817
Energy: 1.2837023315143095
Energy: 1.0849729501932313
Energy: 1.083130708143598
Energy: 1.0957571162184596
Energy: 1.0824787219836336
Energy: 1.1020238223436007
Energy: 1.095624377950309
Energy: 1.0834264673042826
Energy: 1.1164367650065188
Energy: 1.098013270485286
Energy: 1.109978323751294
Energy: 1.1020279003535216
Energy: 1.2452805242924858
Energy: 1.0896457196984821
Energy: 1.0844674988531096
Energy: 1.095588698234759
Energy: 1.0838368948665196
Energy: 1.0674214021484347
Energy: 1.2244214190183396
Energy: 1.0650966033388964
Energy: 1.0822681417885303
Energy: 1.081276235428724
Energy: 1.0444285018690587
Energy: 1.067178347676611
Energy: 1.023350426464036
Energy: 1.042959193189565
Energy: 1.0435825238976697
Energy: 1.0971205766758656
Energy: 1.0429958944447926
Energy: 0.9856112675796362
Energy: 1.0330141637169215
Energy: 0.9853812917958049
Energy: 1.0678185695259708
Energy: 1.0821693058588762
Energy: 1.0420704894348811
Energy: 0.9944648021922512
Energy: 0.9830370749219336
Energy: 0.972737872119309
Energy: 0.9709284424079869
Energy: 1.0851961544310857
Energy: 0.9527655247107811
Energy: 0.972783828447779
Energy: 0.8865787077527705
Energy: 0.9524998425419053
Energy: 1.042485812277495
Energy: 1.083195281003552
Energy: 0.9526767160694604
Energy: 0.8905538184867735
Energy: 0.8914526420888809
Energy: 0.9533706440117006
Energy: 1.0688270469130194
Energy: 1.0679473364573735
Energy: 1.0190681105318058
Energy: 0.8920680070177127
Energy: 0.8916736322191553
Energy: 0.9525879308729132
Energy: 1.069099991219255
Energy: 1.0842175666343281
Energy: 1.0346920188316626
Energy: 0.891353167569682
Energy: 0.8872717362136885
Energy: 0.8957853590689926
Energy: 1.0664833926918207
Energy: 1.0659191615473278
Energy: 0.9568311558160464
Energy: 0.8933086085271635
Energy: 0.9849090258392182
Energy: 0.9548301698638628
Energy: 1.0685384355659635
Energy: 1.0950218285918365
Energy: 0.9703565118415872
Energy: 0.9735915264290997
Energy: 0.9913876444160831
Energy: 1.0419079521532484
Energy: 1.0686900830465837
Energy: 1.0828021179931018
Energy: 1.0436707083288301
Energy: 0.9942733807380932
Energy: 0.9973267930978978
Energy: 1.042605506992715
Energy: 1.0411223809184549
Energy: 1.111861417073323
Energy: 1.0427086209691367
Energy: 0.9869704271350594
Energy: 1.224469555015771
Energy: 1.0426885468726816
Energy: 1.0669852460356342
Energy: 1.0940651722500498
Energy: 1.0443828585024935
Energy: 1.0650690635878746
Energy: 1.2760238388368939
Energy: 1.0821461680646824
Energy: 1.084280197822088
Energy: 1.0944985484857992
Energy: 1.0828181656585747
Energy: 1.1171155795683165
Energy: 1.3601596360974864
Energy: 1.0846605737267694
Energy: 1.1099621753040287
Energy: 1.0978107393475314
Energy: 1.1130287385156334
Energy: 1.081599565531074
Energy: 1.279087260630146
Energy: 1.0825479789713761
Energy: 1.0927465934839486
Energy: 1.093879486845815
Energy: 1.082696463033616
Energy: 1.0823860492698798
Energy: 1.5371722682661675
Energy: 1.081647766851688
Energy: 1.116169158523086
Energy: 1.0981569987598931
Energy: 1.1122561727426734
Energy: 1.0818438923661684
Energy: 1.5345156336613839
Energy: 1.095948339874346
Energy: 1.0956725562394412
Energy: 1.0969632563301548
Energy: 1.0960168711799159
Energy: 1.095955887635841
Energy: 1.535451289476623
Energy: 1.0960805447378175
Energy: 1.0946256547807953
Energy: 1.0943983026999335
Energy: 1.0968281903948809
Energy: 1.0949467149912193
Energy: 1.8546618654748692
Energy: 1.0961179579262788
Energy: 1.0951102952468543
Energy: 1.0964521665085907
Energy: 1.0964818040591604
Energy: 1.0950581406890996
Energy: 1.8678959926028087
Energy: 1.1231832745331243
Energy: 1.0816458420209947
Energy: 1.0831236691737547
Energy: 1.0819829901367102
Energy: 1.0992985253132694
Energy: 1.5833426390738223
Energy: 1.0835390833234113
Energy: 1.0818426249108077
Energy: 1.0512835508885938
Energy: 1.0835303982679547
Energy: 1.0948019927556043
Energy: 1.8434838546197834
Energy: 1.1132147464803306
Energy: 1.0952107978692631
Energy: 1.106386647954502
Energy: 1.091232860174544
Energy: 1.121332148709451
Energy: 2.018482052759473
Energy: 1.0825401597015212
Energy: 1.109503553950822
Energy: 1.0659126282948075
Energy: 1.082818088192508
Energy: 1.0839691503084812
Energy: 1.86208951058438
Energy: 1.0421789316001753
Energy: 1.066487842955319
Energy: 1.0676387372388565
Energy: 1.0427410503467256
Energy: 1.0827575170096706
Energy: 1.8649357881022715
Energy: 1.043082136846858
Energy: 0.9853488350030399
Energy: 0.9962644737076655
Energy: 1.0424588628105482
Energy: 1.0423688237119337
Energy: 2.0250104484591764
Energy: 1.0683622853822174
Energy: 0.9851208021660499
Energy: 0.9917039722566808
Energy: 1.0426355098075928
Energy: 1.068629703525861
Energy: 2.186807322435041
Energy: 0.9860668651634407
Energy: 0.9726790367877595
Energy: 0.9733210035267748
Energy: 0.9541243345906399
Energy: 1.0690253083153063
Energy: 1.8415181414326394
Energy: 0.9528628510510816
Energy: 0.889382802923765
Energy: 0.8886483937702045
Energy: 0.9525576329787476
Energy: 1.0841364884620983
Energy: 2.0069234966703373
Energy: 1.071636382204157
Energy: 0.9533313784750425
Energy: 0.8888544816005136
Energy: 0.9558016038366072
Energy: 1.0692772911219062
Energy: 2.020356339044879
Energy: 1.0691322867729216
Energy: 0.8903183646975567
Energy: 0.888457102710376
Energy: 0.9532785559356354
Energy: 1.068291103362076
Energy: 2.037676352377929
Energy: 0.953715910995579
Energy: 0.8884759512850694
Energy: 0.8865888616188615
Energy: 0.9538269593933161
Energy: 1.0664500489051267

minimum gb energy = 0.8865787077527705 eV
minimum distance =  2.232182642358 Angstroms
sigma value = 67


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

Energy: 0.33731427168736045
Energy: 0.294868696530455
Energy: 0.4226273042424956
Energy: 0.4226537532027325
Energy: 0.4213192549595246
Energy: 0.29424947026855636
Energy: 0.27814523935423807
Energy: 0.42134637743744374
Energy: 0.4058830638509619
Energy: 0.406035183762188
Energy: 0.40662880836050186
Energy: 0.4216100004359365
Energy: 1.4713541873750828
Energy: 0.4059364926854786
Energy: 0.40602444111291924
Energy: 0.40609124443041883
Energy: 0.4053518933143262
Energy: 0.40635438686138553
Energy: 0.2787273697388166
Energy: 0.40565541765798396
Energy: 0.40609962720046533
Energy: 0.40616193783455007
Energy: 0.4050398687207035
Energy: 0.2780490762724309
Energy: 0.2780203659602847
Energy: 0.4050869680848437
Energy: 0.40581975091734995
Energy: 0.406068213813952
Energy: 0.4043553500375005
Energy: 0.2781605496846315
Energy: 1.4712643880642386
Energy: 0.4055613839838822
Energy: 0.40617437946276524
Energy: 0.40678967401546273
Energy: 0.4052624918541482
Energy: 0.4061954023722055
Energy: 0.2780222911550548
Energy: 0.4215490085060149
Energy: 0.4060143568684415
Energy: 0.4062629848240334
Energy: 0.4061624934627653
Energy: 0.42159083677083775

minimum gb energy = 0.2780203659602847 eV
minimum distance =  2.40336252964825 Angstroms
sigma value = 3


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

Energy: 2.087905562256505
Energy: 0.9994141872388519
Energy: 0.8749553855026617
Energy: 1.0446526874300617
Energy: 0.964006927736322
Energy: 1.063415410729868
Energy: 2.0427783626168896
Energy: 1.018074262477211
Energy: 0.8592482907393094
Energy: 0.8644079122563508
Energy: 0.8607820855024838
Energy: 1.0503755817349592
Energy: 1.7123378104390763
Energy: 0.9953657093454364
Energy: 0.8682356802906858
Energy: 0.8699053024127308
Energy: 0.8681158644556614
Energy: 1.0355894598647764
Energy: 2.2033450509357113
Energy: 0.9518753282446273
Energy: 0.8607451336071367
Energy: 0.8691984877831158
Energy: 0.8621645672851425
Energy: 1.036917111323556
Energy: 2.191328856834123
Energy: 0.952366093665507
Energy: 0.9528690689276211
Energy: 0.9556959650009038
Energy: 0.9515690408831191
Energy: 1.0364342844161976
Energy: 1.6548860129665963
Energy: 1.0305361419764176
Energy: 0.9556313480509193
Energy: 0.9604028603984409
Energy: 0.9525277888068817
Energy: 1.0487177759969657
Energy: 1.971476707865091
Energy: 1.0514812719486177
Energy: 0.9618221065221305
Energy: 0.9661783971953338
Energy: 0.9649496721334191
Energy: 1.0495662268067254
Energy: 1.886645976892807
Energy: 1.0516197048630946
Energy: 1.0479835587143151
Energy: 1.1182154616995728
Energy: 1.0492534069978159
Energy: 1.0680065240095096
Energy: 1.973086447778401
Energy: 1.0581381332242947
Energy: 1.0559062865048994
Energy: 1.0693183943302633
Energy: 1.0526095247954992
Energy: 1.0493928386345073
Energy: 1.654430339593532
Energy: 1.0721568296521367
Energy: 1.0488765086608003
Energy: 1.0582950913213685
Energy: 1.0472622844465014
Energy: 1.0833203032237908
Energy: 1.8981012261971835
Energy: 1.0707828736557028
Energy: 1.0877311677938604
Energy: 1.132104942879591
Energy: 1.0812539593646826
Energy: 1.0708162119490185
Energy: 1.8821568185948978
Energy: 1.072327381939229
Energy: 1.077386283343627
Energy: 1.075666645226885
Energy: 1.0787769708123407
Energy: 1.0727319285494574
Energy: 1.7969898801064483
Energy: 1.0811154199996116
Energy: 1.0746420104460221
Energy: 1.0662972019652157
Energy: 1.0830118578650134
Energy: 1.1108885513428404
Energy: 1.7924000983188524
Energy: 1.077515554660486
Energy: 1.1037610901023927
Energy: 1.0759034163850247
Energy: 1.0908185234464736
Energy: 1.0780436482681495
Energy: 1.596401157845744
Energy: 1.0790143019339422
Energy: 1.1085683874546666
Energy: 1.1117610269072256
Energy: 1.0856329994992797
Energy: 1.0785219821846552
Energy: 1.5243283760282071
Energy: 1.1062921329068796
Energy: 1.0776404850093844
Energy: 1.0773566175985037
Energy: 1.079491993864585
Energy: 1.0954123613799838
Energy: 1.5082691934239063
Energy: 1.111302645760764
Energy: 1.0833844261696903
Energy: 1.0853471960585594
Energy: 1.080722095173843
Energy: 1.0932131016259234
Energy: 1.521919921575898
Energy: 1.0724894923840076
Energy: 1.0713891056631764
Energy: 1.120927867161648
Energy: 1.0671904006785402
Energy: 1.0686796751198755
Energy: 1.5109018481885181
Energy: 1.0763910683125233
Energy: 1.067553459081987
Energy: 1.0719625317353574
Energy: 1.0672088464174307
Energy: 1.0849692097570793
Energy: 1.2498473978340634
Energy: 1.0436657265494313
Energy: 1.0707367246936206
Energy: 1.075327697438917
Energy: 1.0680237581589074
Energy: 1.0509723437090446
Energy: 1.2363349398362282
Energy: 1.0225558944891375
Energy: 1.101618916933935
Energy: 1.0963502585740093
Energy: 1.0184100947551138
Energy: 1.0185353222197897
Energy: 1.2463858979576812
Energy: 1.0184608908440895
Energy: 1.0849569116818378
Energy: 1.1384593587600618
Energy: 1.0261765848202042
Energy: 1.02352294150192
Energy: 1.040860012875378
Energy: 1.026463405353186
Energy: 1.0584396648278935
Energy: 1.0721037569516438
Energy: 1.0203166016445253
Energy: 1.0260735083219819
Energy: 1.041797031415863
Energy: 1.0116978627685795
Energy: 1.0615346736858327
Energy: 1.0738269307528767
Energy: 1.0196915182388475
Energy: 1.0147523100373967
Energy: 1.0301241222460995
Energy: 0.9903772537755753
Energy: 1.0372605554719072
Energy: 1.0938535517724903
Energy: 0.9906815278239514
Energy: 0.9988538484452788
Energy: 1.0172320895035012
Energy: 0.9838665292034748
Energy: 1.0309615576503366
Energy: 1.058461478392596
Energy: 1.0253041092601876
Energy: 0.9868334709933567
Energy: 0.9046297129118537
Energy: 0.8965191205594644
Energy: 1.0304344400879133
Energy: 1.0580980334138148
Energy: 1.0326486195500946
Energy: 0.8992277829726072
Energy: 0.9203117386811271
Energy: 0.9126972258128099
Energy: 1.0269652932677071
Energy: 1.0727513380501836
Energy: 0.9103892787690078
Energy: 0.921992119711828
Energy: 0.9254246863607459
Energy: 0.9173055000563181
Energy: 1.061702707717802
Energy: 1.0840386181577484
Energy: 0.9220817283564631
Energy: 0.9197490436010718
Energy: 1.01704073018115
Energy: 0.9223525430144001
Energy: 1.0382325935797714
Energy: 1.06854648182782
Energy: 0.923758138483792
Energy: 0.9235521467110264
Energy: 0.999763544722419
Energy: 0.922862847323926
Energy: 1.075423227949859
Energy: 1.1232629769891855
Energy: 0.9248138093935944
Energy: 0.921823974085429
Energy: 0.9917645782337948
Energy: 0.922242491483388
Energy: 1.077732620731664
Energy: 1.1005275454175163
Energy: 0.9224659576722308
Energy: 0.9233326157517416
Energy: 0.9863177439957296
Energy: 0.9261440586063119
Energy: 1.045323708432233
Energy: 1.0767908196643927
Energy: 1.0438543756833782
Energy: 0.9257738290683837
Energy: 1.221880215050909
Energy: 1.0516589188240162
Energy: 1.0453191273591462
Energy: 1.0687222540619523
Energy: 1.045304906131652
Energy: 1.0473326131612313
Energy: 1.2275661067192039
Energy: 1.0452108271337677
Energy: 1.0733162618932666
Energy: 1.113413600584172
Energy: 1.0455586295796129
Energy: 1.04733339378659
Energy: 1.2353352605816128
Energy: 1.0829077865863954
Energy: 1.0828381694452989
Energy: 1.0771468512540747
Energy: 1.0708618197483788
Energy: 1.083384666968095
Energy: 1.3745364775513746
Energy: 1.0793435859186273
Energy: 1.0724725487152378
Energy: 1.0756556007815559
Energy: 1.0719218853878063
Energy: 1.092992368955374
Energy: 1.4598820898745908
Energy: 1.0767923592110802
Energy: 1.1074917107494848
Energy: 1.0865936837921737
Energy: 1.1093312062215626
Energy: 1.071275942123097
Energy: 1.5042098196770093
Energy: 1.0713810126561512
Energy: 1.081027129739518
Energy: 1.094662184469892
Energy: 1.0953630517986515
Energy: 1.081860527031476
Energy: 1.5267744961679985
Energy: 1.0861292900291104
Energy: 1.0779848030812034
Energy: 1.0729500636560703
Energy: 1.0826443357244522
Energy: 1.0913650907563257
Energy: 1.737654670057716
Energy: 1.0969053689510642
Energy: 1.0923346884375396
Energy: 1.0915123661890553
Energy: 1.0898367660500476
Energy: 1.0806572883659447
Energy: 1.7394438699169104
Energy: 1.0780312937100602
Energy: 1.0914563498278973
Energy: 1.158757831954983
Energy: 1.0872109417984719
Energy: 1.078586783106884
Energy: 1.6547249789583647
Energy: 1.0900939458061158
Energy: 1.072776756226736
Energy: 1.1013408817519164
Energy: 1.0713626636091282
Energy: 1.0887497092174223
Energy: 1.9294637667010959
Energy: 1.0725897736516108
Energy: 1.075731846946739
Energy: 1.1170023586170963
Energy: 1.080984483365269
Energy: 1.0957203008650347
Energy: 1.7540298751506542
Energy: 1.071885710046072
Energy: 1.0778011018391724
Energy: 1.0928142019118203
Energy: 1.0781447492865737
Energy: 1.0740409838806046
Energy: 1.8554808506342784
Energy: 1.0748853534089782
Energy: 1.083153131738598
Energy: 1.0835707127648382
Energy: 1.082991282022298
Energy: 1.0778655757934839
Energy: 1.6545800493975464
Energy: 1.0541507745156466
Energy: 1.0488818027764926
Energy: 1.0697216304362607
Energy: 1.0474007103736787
Energy: 1.073694075305528
Energy: 2.0478379280327483
Energy: 1.047017243895241
Energy: 1.0549352868304036
Energy: 1.0609201329944002
Energy: 1.0477965249895833
Energy: 1.0545844412654146
Energy: 2.0445351030452255
Energy: 1.0469548723854485
Energy: 0.9600678854629093
Energy: 0.976291173032126
Energy: 0.9692421810563923
Energy: 1.0540141946216641
Energy: 1.712771286879783
Energy: 1.0189022871236326
Energy: 0.9514224381441677
Energy: 0.9520014296076986
Energy: 0.9508795928520907
Energy: 1.0693738433449689
Energy: 2.043382612912206
Energy: 0.954031273305902
Energy: 0.9513692887909557
Energy: 0.9562968876604135
Energy: 0.952325734341276
Energy: 1.049684787953302

minimum gb energy = 0.8592482907393094 eV
minimum distance =  2.22518467939779 Angstroms
sigma value = 81


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

Energy: 2.305779702400867
Energy: 1.1378149166359361
Energy: 0.9856792936196334
Energy: 0.9672906546135547
Energy: 1.1080547330460497
Energy: 1.2198338407141909
Energy: 1.8017252981589178
Energy: 1.1036259500256413
Energy: 0.9638586026598157
Energy: 0.9616576410100705
Energy: 0.962323806114024
Energy: 1.2046548727287119
Energy: 1.6912281114439525
Energy: 1.0375010398336812
Energy: 0.9699601666577593
Energy: 0.9701300907587425
Energy: 0.972923149282757
Energy: 1.190873527222001
Energy: 1.7163771809333233
Energy: 1.0843746101646494
Energy: 0.965520763200816
Energy: 0.9694436789644267
Energy: 0.9654618197166253
Energy: 1.1906512456873308
Energy: 1.7157875482768596
Energy: 1.0842119374300694
Energy: 1.0871333510422645
Energy: 1.103499040505364
Energy: 1.087333690859499
Energy: 1.1910718309832355
Energy: 1.677621402867042
Energy: 1.0865270982143684
Energy: 1.0865755889646806
Energy: 1.09070006028592
Energy: 1.0858035165407753
Energy: 1.2330799464597002
Energy: 1.7089767608123907
Energy: 1.2086445860671322
Energy: 1.0895070868831203
Energy: 1.0986190272694254
Energy: 1.0888415782452652
Energy: 1.2088709679628369
Energy: 1.7169092167412823
Energy: 1.2036619021914845
Energy: 1.2525760176210323
Energy: 1.1080085832219981
Energy: 1.2279880420231704
Energy: 1.2142669559252774
Energy: 1.6746461167928248
Energy: 1.2457524293623707
Energy: 1.2084546558552767
Energy: 1.1971103870462125
Energy: 1.2111220584437028
Energy: 1.2149958733837143
Energy: 1.6821895106119737
Energy: 1.2170068892859105
Energy: 1.2057824624073474
Energy: 1.2164057536685733
Energy: 1.2088489768354918
Energy: 1.22582936674172
Energy: 1.5722355493672975
Energy: 1.2166633547926844
Energy: 1.2309056179683577
Energy: 1.225813641324067
Energy: 1.2317531303960478
Energy: 1.2170627989868879
Energy: 1.6714866329189655
Energy: 1.2278811125111264
Energy: 1.2313045774852753
Energy: 1.215023379682296
Energy: 1.2317390816429605
Energy: 1.22867200012322
Energy: 1.4978412641962264
Energy: 1.2003591673636573
Energy: 1.2170559324821784
Energy: 1.2140303386147602
Energy: 1.2267683302220735
Energy: 1.169073002271904
Energy: 1.4872072880188087
Energy: 1.1744152964607169
Energy: 1.218939746746938
Energy: 1.2252524178274071
Energy: 1.173829735796291
Energy: 1.1739322237707817
Energy: 1.4952951650109478
Energy: 1.1739091023269201
Energy: 1.2242325375577727
Energy: 1.3042796734669273
Energy: 1.1667108610125787
Energy: 1.1678832624243831
Energy: 1.2980897329006253
Energy: 1.1748637331473564
Energy: 1.2065215303198709
Energy: 1.2199988647179643
Energy: 1.174064383311083
Energy: 1.189498801205749
Energy: 1.1987070252422083
Energy: 1.1573078993516255
Energy: 1.1668249142758205
Energy: 1.2714216719377975
Energy: 1.1674634702063238
Energy: 1.15729506663715
Energy: 1.1967653999000567
Energy: 1.137307012624425
Energy: 1.179916992759977
Energy: 1.243627697766699
Energy: 1.136143891000477
Energy: 1.1345260410663771
Energy: 1.1820491025558209
Energy: 1.1265055062912293
Energy: 1.1791577283452008
Energy: 1.2086395112079291
Energy: 1.1775436170499842
Energy: 1.1260909288853633
Energy: 1.029740881032923
Energy: 1.0139149054254661
Energy: 1.1794278443348793
Energy: 1.2076558191639537
Energy: 1.178255087595447
Energy: 1.0124308622079237
Energy: 1.0439350143660522
Energy: 1.0292369518288356
Energy: 1.1807769769898433
Energy: 1.2535759832730964
Energy: 1.0275257871593615
Energy: 1.0345752928135357
Energy: 1.049789957916648
Energy: 1.0358229063615796
Energy: 1.2065986362073142
Energy: 1.2096769315106293
Energy: 1.0609634003807933
Energy: 1.038345962951813
Energy: 1.0653727802767496
Energy: 1.0627325645371346
Energy: 1.20323013856705
Energy: 1.234330678280389
Energy: 1.0555075134085985
Energy: 1.0625388247830176
Energy: 1.1462427854164954
Energy: 1.0451529283695982
Energy: 1.2055087807072167
Energy: 1.271145317388728
Energy: 1.0604197534479123
Energy: 1.0447548977488776
Energy: 1.139176347192483
Energy: 1.0445559180853783
Energy: 1.2027794559942409
Energy: 1.2648707062871394
Energy: 1.0440492245717239
Energy: 1.0446147013845644
Energy: 1.1424190553571918
Energy: 1.0610876362449724
Energy: 1.202364416099865
Energy: 1.2138882573952094
Energy: 1.2039810254705794
Energy: 1.0397636921464546
Energy: 1.473477618154703
Energy: 1.204360942948456
Energy: 1.201899830361304
Energy: 1.2137634311021819
Energy: 1.2015390741202592
Energy: 1.2062751621407581
Energy: 1.3653176393396231
Energy: 1.202930659136457
Energy: 1.202146399641804
Energy: 1.289853621871333
Energy: 1.2025438412309684
Energy: 1.2125374988798836
Energy: 1.4651866245403684
Energy: 1.2163800462094472
Energy: 1.2208389961664345
Energy: 1.2289889696058143
Energy: 1.2218879560431382
Energy: 1.220711963147158
Energy: 1.483500338296379
Energy: 1.2522003526142211
Energy: 1.2220908217167106
Energy: 1.2135949071689631
Energy: 1.2330192269650795
Energy: 1.2370565942959701
Energy: 1.800555481341884
Energy: 1.232967440741409
Energy: 1.2552837256789517
Energy: 1.3173064849073564
Energy: 1.2272939759095176
Energy: 1.214852812496164
Energy: 1.6728793493492553
Energy: 1.2317701065581514
Energy: 1.2180734677363299
Energy: 1.2233125099153397
Energy: 1.238179056777796
Energy: 1.222793947133442
Energy: 1.6733081930470626
Energy: 1.212747505126025
Energy: 1.205324589394223
Energy: 1.206975911798001
Energy: 1.2119356063447286
Energy: 1.226965210613142
Energy: 1.7135093463815396
Energy: 1.2127020571023184
Energy: 1.2112804038577452
Energy: 1.2125519668963236
Energy: 1.2143528887264745
Energy: 1.2145236634978827
Energy: 1.7678800403925456
Energy: 1.2049336511124062
Energy: 1.1090756727474933
Energy: 1.0920545535329442
Energy: 1.1663337160054408
Energy: 1.2080309495006263
Energy: 1.6924393706168106
Energy: 1.1853055133508026
Energy: 1.082155337855894
Energy: 1.0856220989527514
Energy: 1.0823142285294047
Energy: 1.2338766959047693
Energy: 1.6726889806162393
Energy: 1.1669259737090527
Energy: 1.0874151150174811
Energy: 1.0832656002276113
Energy: 1.0860019840825583
Energy: 1.2020935255544003
Energy: 1.6824853783710416
Energy: 1.0838094160498861
Energy: 1.0868644167007484
Energy: 0.9845412755318661
Energy: 1.0825734739198256
Energy: 1.2073847739586343

minimum gb energy = 0.9616576410100705 eV
minimum distance =  2.24470672311753 Angstroms
sigma value = 43


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

Energy: 1.9651525525548925
Energy: 1.303752859990558
Energy: 1.0317636775327923
Energy: 1.0317976568658633
Energy: 1.1822038943779087
Energy: 1.3272930368423004
Energy: 1.4861962638261392
Energy: 1.1753686731189303
Energy: 1.0304738329811793
Energy: 1.030710719158563
Energy: 1.0311130736766858
Energy: 1.3048945240985779
Energy: 1.4398760193626157
Energy: 1.1757710097781837
Energy: 1.038301853273588
Energy: 1.0377103249552808
Energy: 1.0379788119610651
Energy: 1.2997020834222117
Energy: 1.6978871930745592
Energy: 1.1756110032306202
Energy: 1.0292505021931362
Energy: 1.0290750119575374
Energy: 1.0311160883117276
Energy: 1.30806574023697
Energy: 1.6955232977271024
Energy: 1.175912106596279
Energy: 1.1839595450043927
Energy: 1.1834794787524758
Energy: 1.174752872025349
Energy: 1.3146098218710853
Energy: 1.4599670102405606
Energy: 1.1751512052328095
Energy: 1.179798255752033
Energy: 1.1809332507907964
Energy: 1.1774087772065702
Energy: 1.3428225538417173
Energy: 1.4885770381076586
Energy: 1.3309861357164605
Energy: 1.2000713995834087
Energy: 1.1780949475573155
Energy: 1.1826616771774388
Energy: 1.3232617397031134
Energy: 1.6624845526218377
Energy: 1.309423481200227
Energy: 1.3419598045353536
Energy: 1.2455410123786261
Energy: 1.3095538578984367
Energy: 1.3127052015107181
Energy: 1.4587958992262604
Energy: 1.3539095686452371
Energy: 1.356858004993583
Energy: 1.3109357739902339
Energy: 1.3165105274377316
Energy: 1.3184101513582065
Energy: 1.448897099125738
Energy: 1.3186507789582365
Energy: 1.315412155942358
Energy: 1.3103713453677643
Energy: 1.3156847173568882
Energy: 1.326894286256722
Energy: 1.685107144991117
Energy: 1.3114636060529814
Energy: 1.3360469765305796
Energy: 1.3592311762788931
Energy: 1.315612085483516
Energy: 1.3147511874504125
Energy: 1.6703941794192627
Energy: 1.3090324412493817
Energy: 1.3165874044898447
Energy: 1.325145676093908
Energy: 1.3156448181772546
Energy: 1.326994376810106
Energy: 1.2214255924655244
Energy: 1.198670780835474
Energy: 1.3176042060056332
Energy: 1.3397530642711268
Energy: 1.310385966783343
Energy: 1.1990894184776546
Energy: 1.2222571379227767
Energy: 1.1743463091652533
Energy: 1.3435835316184292
Energy: 1.3364843155288495
Energy: 1.3030010113720387
Energy: 1.175205753808979
Energy: 1.2244070674808305
Energy: 1.1756128839149738
Energy: 1.298529239360605
Energy: 1.3183707410087206
Energy: 1.1976660493037707
Energy: 1.1763750203655727
Energy: 1.0293824463240087
Energy: 1.183507130861549
Energy: 1.3014684808835761
Energy: 1.3292552530535822
Energy: 1.1749153997037431
Energy: 1.183164431243456
Energy: 1.0310087374816452
Energy: 1.030540585605941
Energy: 1.3041066654322673
Energy: 1.3580641118334764
Energy: 1.1756619453140098
Energy: 1.0303416492501185
Energy: 1.0385156382693175
Energy: 1.0377948634257532
Energy: 1.2996028923480205
Energy: 1.3759352428940403
Energy: 1.0540145182090934
Energy: 1.0377785801286907
Energy: 1.0297301631878908
Energy: 1.029423215193487
Energy: 1.175396302040736
Energy: 1.3079306317035655
Energy: 1.175154522901704
Energy: 1.0293275972152767
Energy: 1.2696801153019588
Energy: 1.1837573096373228
Energy: 1.1761797031176422
Energy: 1.3080225005057953
Energy: 1.175557104967169
Energy: 1.1828916390873112
Energy: 1.2235070415759124
Energy: 1.178655424698363
Energy: 1.299745887192124
Energy: 1.3289384073573538
Energy: 1.1758937797849753
Energy: 1.1736754309490205
Energy: 1.2222566268642956
Energy: 1.1851980064682737
Energy: 1.3156582165116368
Energy: 1.4351797988840604
Energy: 1.1984957908985068
Energy: 1.1786625752018265
Energy: 1.2230570732623414
Energy: 1.3264611321250872
Energy: 1.324885240235509
Energy: 1.3139405983443893
Energy: 1.2014559595474446
Energy: 1.1993928291913472
Energy: 1.416949477595109
Energy: 1.3316233659310222
Energy: 1.3159235455982434
Energy: 1.3519234317423054
Energy: 1.3177595245890712
Energy: 1.3095393865926752
Energy: 1.450763788615178
Energy: 1.3314433209516212
Energy: 1.3206873053816692
Energy: 1.335072852078755
Energy: 1.3154294988023716
Energy: 1.3183893218464358
Energy: 1.4493333486668338
Energy: 1.3156318277992087
Energy: 1.3127326479658
Energy: 1.315570466902436
Energy: 1.3175003877432163
Energy: 1.3395664313027025
Energy: 1.4064693387876415
Energy: 1.3155160215222788
Energy: 1.3086454849781344
Energy: 1.324184279796488
Energy: 1.3105347264913234
Energy: 1.3163444021196071
Energy: 1.9289346745835954
Energy: 1.3094572863499918
Energy: 1.198823757244278
Energy: 1.1776985681215837
Energy: 1.3257628957174148
Energy: 1.31322924339801
Energy: 1.4492444612951654
Energy: 1.3103839895142229
Energy: 1.1743350696225119
Energy: 1.1761582918297526
Energy: 1.174300723558712
Energy: 1.3368897724109696
Energy: 1.4497852626500065
Energy: 1.178203064021688
Energy: 1.200040300448748
Energy: 1.1778519994317902
Energy: 1.178351546997277
Energy: 1.300650013298362
Energy: 1.9096217634976738
Energy: 1.1751668499147616
Energy: 1.182974556592684
Energy: 1.1829954853414404
Energy: 1.175226979339242
Energy: 1.2888759461228783

minimum gb energy = 1.0290750119575374 eV
minimum distance =  2.23572879967957 Angstroms
sigma value = 57


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

Energy: 1.6858236099135027
Energy: 1.474083282208937
Energy: 1.1365026945159438
Energy: 1.128253496927123
Energy: 1.3104319421638866
Energy: 1.4747888142580838
Energy: 1.647909789710257
Energy: 1.3120756535660694
Energy: 1.1411596125696304
Energy: 1.132933186876449
Energy: 1.140743949246641
Energy: 1.43444062894476
Energy: 1.6748770799571495
Energy: 1.3114693884346182
Energy: 1.1542142172258623
Energy: 1.1373563348039046
Energy: 1.1404413354211342
Energy: 1.4315805710232583
Energy: 1.6633710166263829
Energy: 1.3049127499451496
Energy: 1.140968293128779
Energy: 1.1277731674994151
Energy: 1.1374271584335574
Energy: 1.4286607494230938
Energy: 1.6580153119188856
Energy: 1.3042073832809464
Energy: 1.3105476261215772
Energy: 1.3067338782921698
Energy: 1.3102255374441683
Energy: 1.4286380965928813
Energy: 1.6740612779038375
Energy: 1.3085502754399656
Energy: 1.298363950370508
Energy: 1.3047759175027507
Energy: 1.298123695541978
Energy: 1.4775963399393564
Energy: 1.6765730805244632
Energy: 1.4581994808797611
Energy: 1.3191463547345688
Energy: 1.3165353594411557
Energy: 1.3052614560035563
Energy: 1.4664746135802968
Energy: 1.3814946911014632
Energy: 1.4306438257280125
Energy: 1.4679446214755059
Energy: 1.1370975547811886
Energy: 1.4768560698226652
Energy: 1.432742695738843
Energy: 1.389627312879035
Energy: 1.4776851744824053
Energy: 1.4280518880264854
Energy: 1.4832971910290649
Energy: 1.4545097592973193
Energy: 1.4679644315334384
Energy: 1.3877332504794624
Energy: 1.305329858559933
Energy: 1.430718945953304
Energy: 1.5665281863525082
Energy: 1.431271441632889
Energy: 1.3155646992734162
Energy: 1.409200040328715
Energy: 1.3092272063098687
Energy: 1.4311824565767768
Energy: 1.5215240682958633
Energy: 1.3070861024703828
Energy: 1.3232362942431772
Energy: 1.3922175608299254
Energy: 1.3220093079904038
Energy: 1.3045271255672948
Energy: 1.4902340813400536
Energy: 1.305969779614081
Energy: 1.3147609696219682
Energy: 1.1309447127628744
Energy: 1.1382761475462608
Energy: 1.4269946386589172
Energy: 1.428070063550266
Energy: 1.3053917385200717
Energy: 1.1350091170901686
Energy: 1.128267744618034
Energy: 1.160999141460956
Energy: 1.4322080995749067
Energy: 1.5197610327790412
Energy: 1.160508255768573
Energy: 1.1570633690061323
Energy: 1.1277644885801867
Energy: 1.1441671855774247
Energy: 1.3095922460550966
Energy: 1.5116018209194748
Energy: 1.3321880626725626
Energy: 1.1265078605613372
Energy: 1.1323736682098144
Energy: 1.309962155719762
Energy: 1.4293261233074688
Energy: 1.4291927243793856
Energy: 1.3095636906722863
Energy: 1.1334976980799947
Energy: 1.3897895401524887
Energy: 1.30909992754299
Energy: 1.3276968524160297
Energy: 1.3129494706001998
Energy: 1.3076869042605714
Energy: 1.3071519528675988
Energy: 1.3878608905439784
Energy: 1.2968414752899196
Energy: 1.4698573424822698
Energy: 1.31503397433849
Energy: 1.3071120591660084
Energy: 1.3167670358489878
Energy: 1.3900914966027564
Energy: 1.3112479485363686
Energy: 1.468411752436742
Energy: 1.4966849450845703
Energy: 1.4313161878547533
Energy: 1.3161682809727449
Energy: 1.3889709745084358
Energy: 1.4540609540285754
Energy: 1.4309409967702393
Energy: 1.4570563978173439
Energy: 1.431937352904832
Energy: 1.478236081787669
Energy: 1.6481656868361387
Energy: 1.4536921093098105
Energy: 1.3150964940637853
Energy: 1.3248128083112336
Energy: 1.453426862368841
Energy: 1.437395527371792
Energy: 1.3913011512551978
Energy: 1.430795558938565
Energy: 1.3199185632119081
Energy: 1.3115487952059395
Energy: 1.3042832123807016
Energy: 1.4788824886713174
Energy: 1.6728385503098218
Energy: 1.3087697264031761
Energy: 1.344210105470459
Energy: 1.3091777822039092
Energy: 1.3245552139692032
Energy: 1.4314846513032797
Energy: 1.1257961637131821
Energy: 1.3054214499554393
Energy: 1.3101968062812617
Energy: 1.1351338480864002
Energy: 1.3095523925483943
Energy: 1.4278433470258292

minimum gb energy = 1.1257961637131821 eV
minimum distance =  2.23142899007334 Angstroms
sigma value = 17


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

Energy: 2.620919222348935
Energy: 1.4536118402086684
Energy: 1.3164961039086154
Energy: 1.519810511143883
Energy: 1.5043323690035937
Energy: 1.462276358315581
Energy: 1.4652423204417269
Energy: 1.525224916732432
Energy: 1.3062001532460057
Energy: 1.3039296014510042
Energy: 1.3004854619925126
Energy: 1.535994203623348
Energy: 1.486758303232626
Energy: 1.5145870075548051
Energy: 1.305027319284553
Energy: 1.301439738504731
Energy: 1.3221669360338526
Energy: 1.48847077125787
Energy: 1.4771644454606496
Energy: 1.4283923501931401
Energy: 1.3037178800032316
Energy: 1.3010502736733862
Energy: 1.4891178031640522
Energy: 1.4484981883951382
Energy: 1.4761003482436716
Energy: 1.4274716026437524
Energy: 1.4585720445615702
Energy: 1.2261602393709359
Energy: 1.4592512166136085
Energy: 1.449308735226633
Energy: 1.4819653029311586
Energy: 1.4610993555848668
Energy: 1.4607387189912961
Energy: 1.2279907356497597
Energy: 1.4607232756608797
Energy: 1.5656756157677982
Energy: 1.467602688898091
Energy: 1.5566326585585997
Energy: 1.4599627131215003
Energy: 1.2485936583282888
Energy: 1.4286742825072478
Energy: 1.5546576387215405
Energy: 1.4593138640643848
Energy: 1.5582329118339957
Energy: 1.60527278107163
Energy: 1.2516136886907976
Energy: 1.5634701552858101
Energy: 1.5589461788571746
Energy: 1.4262078126814401
Energy: 1.556140943952009
Energy: 1.6175588210038403
Energy: 1.6069428497426521
Energy: 1.617605207749933
Energy: 1.5571203149695978
Energy: 1.4553958457722744
Energy: 1.3791961425470318
Energy: 1.6047509002773142
Energy: 1.2553921850740541
Energy: 1.5567411107773086
Energy: 1.378980051373849
Energy: 1.4526634852679987
Energy: 1.3825533411454336
Energy: 1.3745525399255372
Energy: 1.2539632682173514
Energy: 1.3748213373889757
Energy: 1.3604297984765217
Energy: 1.4541885952648066
Energy: 1.380428038547775
Energy: 1.4640433373632546
Energy: 1.4531238059285787
Energy: 1.4544993183311705
Energy: 1.3808714778166273
Energy: 1.4876622399108974
Energy: 1.5228220304567797
Energy: 1.455713139121922
Energy: 1.4515178390006889
Energy: 1.4550104940157595
Energy: 1.5255405468449716
Energy: 1.4460725644276389
Energy: 1.3650768505456568
Energy: 1.4866233996903164
Energy: 1.3156968678931096
Energy: 1.4861723044506465
Energy: 1.2276518538387915
Energy: 1.4841942560719306
Energy: 1.4555504456977297
Energy: 1.498329162290106
Energy: 1.3144862187696986
Energy: 1.3957489693774874
Energy: 1.3810016113332637
Energy: 1.4821487151902104
Energy: 1.5268706556073102
Energy: 1.5238972341689483
Energy: 1.4992700951636126
Energy: 1.5297727591885932
Energy: 1.4720569463655047
Energy: 1.2447812748161244
Energy: 1.497394881569801
Energy: 1.4988830017461798
Energy: 1.3003478196480527
Energy: 1.4991428574989354
Energy: 1.5946270939182554

minimum gb energy = 1.2261602393709359 eV
minimum distance =  2.19120432677169 Angstroms
sigma value = 17


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

Energy: 1.6671839866866622
Energy: 1.3013491978856142
Energy: 1.3107656193933794
Energy: 1.3082461900140132
Energy: 1.3180863239152807
Energy: 1.7420248932718057
Energy: 1.3290000545897367
Energy: 1.4522411658511842
Energy: 1.3019299592129485
Energy: 1.301857911978413
Energy: 1.3051386889226826
Energy: 1.4571082366783636
Energy: 1.313036864510756
Energy: 1.4590274161074792
Energy: 1.30582122623413
Energy: 1.3041558846374108
Energy: 1.3057116952765122
Energy: 1.6374878587872443
Energy: 1.8244140648667593
Energy: 1.6034361979312668
Energy: 1.323148993370234
Energy: 1.3204225219183394
Energy: 1.3208232763288807
Energy: 1.6809158680257759
Energy: 1.4229490170031904
Energy: 1.6786689160327954
Energy: 1.6021981346378427
Energy: 1.3081619055490277
Energy: 1.6799964228012247
Energy: 1.606827043872942
Energy: 1.3140551177248676
Energy: 1.3059492783571256
Energy: 1.648381162088865
Energy: 1.5203039780218663
Energy: 1.6993015564845015
Energy: 1.3096650425006537
Energy: 1.318016017077481
Energy: 1.3214874624268527
Energy: 1.6047245318993308
Energy: 1.3107082172429818
Energy: 1.4738495819920119
Energy: 1.321448735838716
Energy: 1.2945318654831133
Energy: 1.3039862666196258
Energy: 1.4928564816365355
Energy: 1.3247930207568224
Energy: 1.3212105309696136
Energy: 1.302823471686308
Energy: 1.3079809189793645
Energy: 1.3075859477093534
Energy: 1.5432256911323399
Energy: 1.6035890749299868
Energy: 1.447490688652123
Energy: 1.3111630439662054
Energy: 1.4832499572261444
Energy: 1.4508977760055752
Energy: 1.448089156969955
Energy: 1.4057888420906843
Energy: 1.4500067550454436
Energy: 1.445062559890581
Energy: 1.489476587189945
Energy: 1.4521404600720895
Energy: 1.4609554270038139
Energy: 1.3100640086790687
Energy: 1.4521625365756672
Energy: 1.4520630283393898
Energy: 1.407617700604323
Energy: 1.4505192608385502
Energy: 1.5365679875681275
Energy: 1.4045811329332298
Energy: 1.6124165817147107
Energy: 1.4455035851485623
Energy: 1.35349886209146
Energy: 1.6061981190486327
Energy: 1.6099273176921172
Energy: 1.4031961533864021
Energy: 1.6074851730266313
Energy: 1.6316956872395614
Energy: 1.9911536123029998
Energy: 1.5376460591150285
Energy: 1.5203322553452934
Energy: 1.2845585710621623
Energy: 1.652567795104255
Energy: 1.7494361270900054
Energy: 1.554000025175412
Energy: 1.5369767933092564
Energy: 1.2778448105492914
Energy: 1.2797101578942824
Energy: 1.2775301171103026
Energy: 1.6066430529056401
Energy: 1.3516521479186663
Energy: 1.2802211210458176
Energy: 1.2849610674481091
Energy: 1.2833773866952507
Energy: 1.2827207181328015
Energy: 1.5951885906097616
Energy: 1.8174667652007754
Energy: 1.6257391808589798
Energy: 1.2789958731410123
Energy: 1.2962236922161736
Energy: 1.2783011025458182
Energy: 1.6143854092938192
Energy: 1.817685269818367
Energy: 1.6263631906447915
Energy: 1.536250186318291
Energy: 1.292944081684322
Energy: 1.538527692278041
Energy: 1.6024544087926804
Energy: 1.4932227951343953
Energy: 1.604504599480886
Energy: 1.6018075272998178
Energy: 1.5498111080078785
Energy: 1.6027158966618331
Energy: 1.3068443533935716
Energy: 1.485861350199301
Energy: 1.4484257114431043
Energy: 1.5425605136368217
Energy: 1.475390283686218
Energy: 1.605405008273943
Energy: 1.4431133230639304
Energy: 1.4840919209186791
Energy: 1.4512927854697228
Energy: 1.4507670378040776
Energy: 1.3194994138557954
Energy: 1.4517039776150766
Energy: 1.4461163414431415
Energy: 1.4448388612723653
Energy: 1.4496390770097471
Energy: 1.5636552655998484
Energy: 1.6726538657118837
Energy: 1.446442154801938
Energy: 1.3038154635758714
Energy: 1.3029119370320421
Energy: 1.3050899259933784
Energy: 1.4536744713177294
Energy: 1.4585147338317113
Energy: 1.4444286778043423
Energy: 1.3019749158579539
Energy: 1.3027506987503268
Energy: 1.3057523812701732
Energy: 1.4586517902923612
Energy: 1.3069087893154199
Energy: 1.3033240612432109
Energy: 1.3046887396991032
Energy: 1.3123051006344115
Energy: 1.305795642927917
Energy: 1.6007955307380122
Energy: 1.5814576821582442
Energy: 1.5989470848557807
Energy: 1.3058693273274966
Energy: 1.307111234213049
Energy: 1.696808979869296
Energy: 1.605350455433271
Energy: 1.4028412816581282
Energy: 1.693129292956277
Energy: 1.682054761057424
Energy: 2.0103055940552275
Energy: 1.6974802032006178
Energy: 1.69394541443805
Energy: 1.3083682294523473
Energy: 1.6962036202652035
Energy: 1.6495008206130193
Energy: 1.2731001580643835
Energy: 1.673037110629612
Energy: 1.3191700244349298
Energy: 1.3083130188538885
Energy: 1.3071031262647828
Energy: 1.6019158311237978
Energy: 1.3091814449748458
Energy: 1.3099935362127748
Energy: 1.3069036387785722
Energy: 1.298000815977087
Energy: 1.305049754070409
Energy: 1.406976802328108
Energy: 1.8159134996332502
Energy: 1.4446808390327142
Energy: 1.3048182798697538
Energy: 1.3023996711629338
Energy: 1.304839434178491
Energy: 1.605338365792764
Energy: 1.818882589348438
Energy: 1.4597353408414566
Energy: 1.446197183596425
Energy: 1.478175775474957
Energy: 1.4479388985761161
Energy: 1.6050992971750444
Energy: 1.3109097148326512
Energy: 1.4520319529063466
Energy: 1.4548434522591072
Energy: 1.2954649284794366
Energy: 1.457094496780225
Energy: 1.4638453629766797
Energy: 1.4741478289686465
Energy: 1.5427513418430892
Energy: 1.444469834809677
Energy: 1.4394276359147693
Energy: 1.4443836494465856
Energy: 1.5420762685619933
Energy: 1.8227540237314557
Energy: 1.6051828004032593
Energy: 1.5096236956399685
Energy: 1.3520263182677157
Energy: 1.6058713857100986
Energy: 1.6058810255263791
Energy: 1.3088543659903136
Energy: 1.5440204868224463
Energy: 1.660834848115247
Energy: 1.5292402682586401
Energy: 1.6250096010186124
Energy: 1.4033523245377102
Energy: 1.29153687175439
Energy: 1.282047741758402
Energy: 1.611299771787709
Energy: 1.5264468439078562
Energy: 1.539482051272447
Energy: 1.291099868557999
Energy: 1.2781917209809126
Energy: 1.281996704196762
Energy: 1.5675949355951064
Energy: 1.3521568075911452
Energy: 1.2874003019798774
Energy: 1.2818285449807054
Energy: 1.2889846707678165
Energy: 1.279180531632262
Energy: 1.6074163175598528
Energy: 1.3026822412504497
Energy: 1.4006985474353466
Energy: 1.2795702071731958
Energy: 1.3091421631877527
Energy: 1.518470066079617
Energy: 1.6956189567344253
Energy: 1.6044042989449596
Energy: 1.5365795504952704
Energy: 1.2892786669931666
Energy: 1.654588101389113
Energy: 1.60408523008812
Energy: 1.6062962364828284
Energy: 1.3558490978839037
Energy: 1.6060104141204634
Energy: 1.6056188217215273
Energy: 1.47542702477903
Energy: 1.6251211225902167
Energy: 1.4510929040524747
Energy: 1.4906417116013424
Energy: 1.4857215162119575
Energy: 1.5359426545471286
Energy: 1.4704490727784092
Energy: 1.4872222586238903
Energy: 1.447876543753377
Energy: 1.2981514429923533
Energy: 1.4456098811511828
Energy: 1.5503236695190994
Energy: 1.6407562820322275
Energy: 1.4532866425774773
Energy: 1.4470296611602442
Energy: 1.4862492920473696
Energy: 1.448443569864191
Energy: 1.554969615485716

minimum gb energy = 1.2731001580643835 eV
minimum distance =  2.1689432861307 Angstroms
sigma value = 57


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

Energy: 1.9271326349558204
Energy: 1.7686395527705763
Energy: 1.4365535197727568
Energy: 1.5106492482560308
Energy: 1.6701666983225325
Energy: 1.8432379847933167
Energy: 1.3792405815361686
Energy: 1.507600815652839
Energy: 1.3565478435468956
Energy: 1.319015689846313
Energy: 1.336002483875238
Energy: 1.5033177694339472
Energy: 1.3426717650544495
Energy: 1.5368473065343522
Energy: 1.350842473082715
Energy: 1.3099359845702065
Energy: 1.338322611057138
Energy: 1.6717763348058554
Energy: 1.634848397838283
Energy: 1.6614542345980488
Energy: 1.3980662940702973
Energy: 1.344971215274162
Energy: 1.3534334305379303
Energy: 1.6534886312196706
Energy: 1.6422969970946255
Energy: 1.6606401950310117
Energy: 1.6596653127632728
Energy: 1.6283513366982032
Energy: 1.6467983012463776
Energy: 1.6480493614875653
Energy: 1.3374172632683337
Energy: 1.35365515714852
Energy: 1.6294353215300028
Energy: 1.6277134799426456
Energy: 1.7091951443278381
Energy: 1.3334806786093907
Energy: 1.3307436230478606
Energy: 1.335090903532413
Energy: 1.6674519966027213
Energy: 1.6468515236095833
Energy: 1.5291770619690546
Energy: 1.342074378853939
Energy: 1.3271950956327638
Energy: 1.33976697104104
Energy: 1.550079923956806
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Energy: 1.5309181385941302
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Energy: 1.504393300161482
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Energy: 1.5319759216260702
Energy: 1.3487360681380527
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Energy: 1.3438688355497408
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Energy: 1.329072262521165
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Energy: 1.3578809468101378
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Energy: 1.6044783151652584
Energy: 1.781384549792959
Energy: 1.3978229433965759
Energy: 1.5016688248035863
Energy: 1.357002869426321
Energy: 1.3229242507301224
Energy: 1.3459530196705616
Energy: 1.5130334033924318
Energy: 1.3425611695019737
Energy: 1.5041136690337624
Energy: 1.3397852026020138
Energy: 1.3164121203607562
Energy: 1.3533307241370698
Energy: 1.5021076629169938
Energy: 1.6290675388754523
Energy: 1.65940741900723
Energy: 1.394448929698598
Energy: 1.3378052796612352
Energy: 1.3399661227445285
Energy: 1.6530532331475107
Energy: 1.6411785971666142
Energy: 1.6591082596105073
Energy: 1.670362703130148
Energy: 1.3499609310792131
Energy: 1.6602730770577427
Energy: 1.6480016861076747
Energy: 1.3458850794920072
Energy: 1.7098834335255293
Energy: 1.6306667776956951
Energy: 1.631934261901799
Energy: 1.7097759460523527
Energy: 1.3501040143836773
Energy: 1.3273293004082876
Energy: 1.3365152860758485
Energy: 1.667407385326585
Energy: 1.5287845721968747
Energy: 1.5281143771291765
Energy: 1.3305700315078268
Energy: 1.3250608234327361
Energy: 1.3381360517685665
Energy: 1.5484043628412743
Energy: 1.3437947295973975
Energy: 1.3437275531820974
Energy: 1.3454921498978345
Energy: 1.337879733016449
Energy: 1.3447471289343098
Energy: 1.674293976131266
Energy: 1.5244657535968902
Energy: 1.5382053106121005
Energy: 1.3315198206868253
Energy: 1.337155897758721
Energy: 1.50900076912587
Energy: 1.504004545380416
Energy: 1.33090749568152
Energy: 1.500418158218797
Energy: 1.522843464918162
Energy: 1.3549275931440345
Energy: 1.503547165093895
Energy: 1.5540588435088913
Energy: 1.3505657926445873
Energy: 1.5077672999958958
Energy: 1.5010980071934228
Energy: 1.343768993232017
Energy: 1.5263305620742604
Energy: 1.503885550226903
Energy: 1.3326341609915695
Energy: 1.5493426136850328
Energy: 1.5300138768061002
Energy: 1.3562789940095525
Energy: 1.5066235006179245
Energy: 1.4996484997249517
Energy: 1.3310009254027981
Energy: 1.504687870027938
Energy: 1.477470318426081
Energy: 1.918719344765591
Energy: 1.5059794322387254
Energy: 1.5724848184127607
Energy: 1.3466144844275425
Energy: 1.5186531503595821
Energy: 1.665944166160259

minimum gb energy = 1.3099359845702065 eV
minimum distance =  2.17558310005968 Angstroms
sigma value = 43


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

Energy: 1.5238145040219873
Energy: 1.5953403284197734
Energy: 1.4053461627354147
Energy: 1.4050415732290966
Energy: 1.6244369114889796
Energy: 1.7518862799370551
Energy: 1.4532726765056825
Energy: 1.364399145212849
Energy: 1.3722528137416201
Energy: 1.3647394984492638
Energy: 1.371369113481275
Energy: 1.5228585170941173
Energy: 1.558238124947076
Energy: 1.5416865414093024
Energy: 1.3676117378543011
Energy: 1.3615720770226158
Energy: 1.3686385079051824
Energy: 1.6016987409316477
Energy: 1.6065368660031307
Energy: 1.6522401301915333
Energy: 1.372679486344994
Energy: 1.3740919122532806
Energy: 1.388866502135405
Energy: 1.6452068416992416
Energy: 1.609669268540742
Energy: 1.6489885866146259
Energy: 1.6490013827050651
Energy: 1.5070376330618587
Energy: 1.645666131724418
Energy: 1.5926377255143849
Energy: 1.3417993008359996
Energy: 1.3390539944906619
Energy: 1.6400415679702829
Energy: 1.3143311630529173
Energy: 1.6401038072813081
Energy: 1.3395264713531565
Energy: 1.339858790317298
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Energy: 1.6007846184767005
Energy: 1.4982042828931887
Energy: 1.3366290177097555
Energy: 1.3431072090117808
Energy: 1.3335201831668322
Energy: 1.3345133106244476
Energy: 1.5264272773103904
Energy: 1.4395329693674939
Energy: 1.3351530906149676
Energy: 1.334717790494335
Energy: 1.3434310504551272
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Energy: 1.6623382794286639
Energy: 1.648237789714635
Energy: 1.5700545447173393
Energy: 1.3411828625330118
Energy: 1.6990040927712222
Energy: 1.6454548726089127
Energy: 1.644062563907178
Energy: 1.440031532092051
Energy: 1.645486174162604
Energy: 1.6612279105555208
Energy: 1.7002730897289764
Energy: 1.6478568677887333
Energy: 1.3868015011320098
Energy: 1.3811766550097009
Energy: 1.611918686598949
Energy: 1.6311088260402737
Energy: 1.6849925627359255
Energy: 1.6328327546877208
Energy: 1.3755048566059507
Energy: 1.3764900714286714
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Energy: 1.6160355536949553
Energy: 1.4760387856599362
Energy: 1.491993068411771
Energy: 1.3769979506347656
Energy: 1.376616243059523
Energy: 1.379667585934573
Energy: 1.5136570579322575
Energy: 1.49416326755964
Energy: 1.4820402447227223
Energy: 1.3872374389743949
Energy: 1.381498779657068
Energy: 1.4846242327796126
Energy: 1.5899686911378006
Energy: 1.4184248961000003
Energy: 1.4750196497810517
Energy: 1.4787833625870752
Energy: 1.3903633420787658
Energy: 1.4812755409940188
Energy: 1.4747469519838952
Energy: 1.6856809335123806
Energy: 1.5541527224378866
Energy: 1.4889738120596077
Energy: 1.4423666069427101
Energy: 1.493980959436731
Energy: 1.5849080618062403
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Energy: 1.5530448433486164
Energy: 1.481194796924146
Energy: 1.3953801686717882
Energy: 1.5321602200144397
Energy: 1.5440086262898667
Energy: 1.6854773234266303
Energy: 1.5455050034440703
Energy: 1.6030328330132666
Energy: 1.398811268671864
Energy: 1.5575619720491172
Energy: 1.5473365024701027
Energy: 1.3997739756950989
Energy: 1.8017130981906824
Energy: 1.8102076772482811
Energy: 1.7292633992699438
Energy: 1.7102321497489505
Energy: 1.3975392596336225
Energy: 1.4465189342007123
Energy: 1.4178252519770367
Energy: 1.602545794699829
Energy: 1.3967151062552645
Energy: 1.407930251212239
Energy: 1.4138054600252534
Energy: 1.4444373766063312
Energy: 1.4201809713433864
Energy: 1.612034168824507
Energy: 1.392235925687997
Energy: 1.48625499569103
Energy: 1.404082807217404
Energy: 1.4531357855072604
Energy: 1.3333993932127748
Energy: 1.6285131169299314
Energy: 1.4730745165069483
Energy: 1.6280754706513907
Energy: 1.326241572752031
Energy: 1.3784937910573798
Energy: 1.6323395135287802
Energy: 1.6130103851237247
Energy: 1.3904748882196467
Energy: 1.6189343492249217
Energy: 1.63373514612943
Energy: 1.6993735524897535
Energy: 1.6527718663844548
Energy: 1.3508075802245243
Energy: 1.3519356809391851
Energy: 1.6526484671274857
Energy: 1.639126719175875
Energy: 1.3685636369537275
Energy: 1.6282625301584661
Energy: 1.3490230194822055
Energy: 1.347546331912754
Energy: 1.3520907551485026
Energy: 1.6405922939366564
Energy: 1.517014812551366
Energy: 1.4530981259500186
Energy: 1.3440750780769959
Energy: 1.342006361809482
Energy: 1.3433908354074788
Energy: 1.69270314786941
Energy: 1.490668963984671
Energy: 1.6488705318831054
Energy: 1.3553782605502154
Energy: 1.3544533415413889
Energy: 1.4546274751961568
Energy: 1.6547916817877468
Energy: 1.5359170705498948
Energy: 1.6611609238010974
Energy: 1.6506071310793893
Energy: 1.3684820478258442
Energy: 1.6495506789033751
Energy: 1.6567816129313233
Energy: 1.3720499056490871
Energy: 1.368456416069507
Energy: 1.6600355697367566
Energy: 1.61871871755637
Energy: 1.6778349995330273
Energy: 1.3679673692961278
Energy: 1.3653273563183668
Energy: 1.3675077721570963
Energy: 1.6662500401038018
Energy: 1.6021664046145456
Energy: 1.5400544877187226
Energy: 1.365976120349811
Energy: 1.3686017162098063
Energy: 1.372378313795804
Energy: 1.451488400275118
Energy: 1.5835049708717868
Energy: 1.3764567131878835
Energy: 1.3714572583707856
Energy: 1.3694734597149314
Energy: 1.3672160060118363
Energy: 1.589391939524211
Energy: 1.4926318893324109
Energy: 1.4591139260252848
Energy: 1.3682031467732156
Energy: 1.6102286118662392
Energy: 1.5163146592536394
Energy: 1.5191331079969872
Energy: 1.5083855944089093
Energy: 1.5163994782301604
Energy: 1.4502378252410095
Energy: 1.6057538095976984
Energy: 1.5169082295981302
Energy: 1.5351228624737252
Energy: 1.6087246991628192
Energy: 1.5498501276684826
Energy: 1.514431908805906
Energy: 1.556660082946467
Energy: 1.5164222732732549
Energy: 1.5207102239684844
Energy: 1.3683065819675717
Energy: 1.5203176653829749
Energy: 1.460270885993442
Energy: 1.4447142962098876
Energy: 1.5208420598800423
Energy: 1.5209540668252843
Energy: 1.3657191771403883
Energy: 1.5201532957034214
Energy: 1.583232093160334

minimum gb energy = 1.3143311630529173 eV
minimum distance =  2.19414575708819 Angstroms
sigma value = 81


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

Energy: 1.332817826007014
Energy: 1.3589984996521052
Energy: 1.5487144886748352
Energy: 1.5399455087782306
Energy: 1.6059234691932807
Energy: 1.3595651576127359
Energy: 1.3667303895042062
Energy: 1.4166249392508392
Energy: 1.3656334726778778
Energy: 1.3669088136033019
Energy: 1.3668417229406105
Energy: 1.415508029917938
Energy: 1.4286293180649363
Energy: 1.417437426048288
Energy: 1.3652069940341651
Energy: 1.3650245491573048
Energy: 1.365738696028579
Energy: 1.4152403930463804
Energy: 1.427300692737659
Energy: 1.415705909357573
Energy: 1.3664123086639555
Energy: 1.3626445246451908
Energy: 1.4160738888691662
Energy: 1.4210039707095994
Energy: 1.4253329935322174
Energy: 1.4152686268484342
Energy: 1.4161431628648184
Energy: 1.3589456749715634
Energy: 1.4172364281856107
Energy: 1.418046716697855
Energy: 1.3765966401628358
Energy: 1.5413937330836216
Energy: 1.3598273695572631
Energy: 1.3403241474509997
Energy: 1.4157433851301906
Energy: 1.3688343949434454
Energy: 1.378689911824821
Energy: 1.3657477358996746
Energy: 1.41876653006075
Energy: 1.3651701555082103
Energy: 1.5386391492030762
Energy: 1.3655044832948087
Energy: 1.3798065295843223
Energy: 1.3662946462711447
Energy: 1.41533698081002
Energy: 1.4173045373944375
Energy: 1.4146349662549897
Energy: 1.3618237956336392
Energy: 1.545198404103223
Energy: 1.3644484378607131
Energy: 1.417444840424423
Energy: 1.4157393937628893
Energy: 1.4153464409016074
Energy: 1.368222919028417
Energy: 1.3692075409369258
Energy: 1.41470943737857
Energy: 1.4148406978760146
Energy: 1.4144477784049323
Energy: 1.418671170232447
Energy: 1.4187261917972214

minimum gb energy = 1.332817826007014 eV
minimum distance =  2.2476399035658 Angstroms
sigma value = 3


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

Energy: 1.621835976944873
Energy: 1.4133408516126302
Energy: 1.620772162591896
Energy: 1.5439209995094472
Energy: 1.4787278887504327
Energy: 1.7445732217339522
Energy: 1.6506657969271952
Energy: 1.473252881354323
Energy: 1.4805556610586648
Energy: 1.4774716939494463
Energy: 1.3407243099963315
Energy: 1.5197462957056334
Energy: 1.4975606977152447
Energy: 1.4128053436547536
Energy: 1.3424190875328685
Energy: 1.4777857243102013
Energy: 1.3420727674805335
Energy: 1.4772654917936916
Energy: 1.4748010908386566
Energy: 1.507066799379617
Energy: 1.3543244622561303
Energy: 1.4984392167194345
Energy: 1.491951027273661
Energy: 1.5023423122919535
Energy: 1.477246708032638
Energy: 1.5359458821044107
Energy: 1.610252723561637
Energy: 1.6929014047349256
Energy: 1.5325237284914828
Energy: 1.4770073698851645
Energy: 1.593001321756948
Energy: 1.4891525077742125
Energy: 1.5804833893924803
Energy: 1.5693815031102436
Energy: 1.4928102661420852
Energy: 1.545828429708777
Energy: 1.608665915769302
Energy: 1.5292287275364855
Energy: 1.5030909365598017
Energy: 1.496567932754303
Energy: 1.671939461608798
Energy: 1.50289758448865
Energy: 1.6098464572525002
Energy: 1.5038366242818533
Energy: 1.3536285732042144
Energy: 1.3512701141479402
Energy: 1.3448049085539162
Energy: 1.5089880557243103
Energy: 1.6937246690237806
Energy: 1.3456012438427907
Energy: 1.341448860971606
Energy: 1.3204335643191802
Energy: 1.3427419947426538
Energy: 1.7016844118535133
Energy: 1.694988088452977
Energy: 1.3401153928228482
Energy: 1.3506753415504458
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Energy: 1.6027586892671926
Energy: 1.590470295619724
Energy: 1.5830525679920688
Energy: 1.573829776371518
Energy: 1.3457295712993493
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Energy: 1.7071560006111017
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Energy: 1.6498347586899018
Energy: 1.3417409178941606
Energy: 1.7222706665880332
Energy: 1.7038958365659913
Energy: 1.6174244497288088
Energy: 1.3169952017253832
Energy: 1.346696822863934
Energy: 1.3448646208587784
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Energy: 1.3393658984962864
Energy: 1.350150723403741
Energy: 1.314526390115959
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Energy: 1.3407921842387813
Energy: 1.6939553763090474
Energy: 1.3411060848601057
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Energy: 1.3374874338856024
Energy: 1.3415780193076907
Energy: 1.3401284931587722
Energy: 1.6812572716918375
Energy: 1.4800667387386495
Energy: 1.3541190511929564
Energy: 1.3461076744623084
Energy: 1.5597001081702855
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Energy: 1.6811453846252304
Energy: 1.5570442490549377
Energy: 1.3536360619925472
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Energy: 1.6998181767399327
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Energy: 1.5699819414946041
Energy: 1.3192955294314248
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Energy: 1.4973555073430718
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Energy: 1.5047139048722988
Energy: 1.501314780754121
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Energy: 1.5161522499429823
Energy: 1.4743220005931952
Energy: 1.3418449133975283
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Energy: 1.3409065184486886
Energy: 1.502752305706671
Energy: 1.473314754824985
Energy: 1.5052479660933953
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Energy: 1.514271645605827
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Energy: 1.6804275826758124
Energy: 1.4781546176531661
Energy: 1.6110262110390363
Energy: 1.692720791413151
Energy: 1.6756320777002942
Energy: 1.699435819073225
Energy: 1.6132652691009934
Energy: 1.723713493389116
Energy: 1.3548828094809706
Energy: 1.3510847475607546
Energy: 1.5866487152897415
Energy: 1.6633227624827596
Energy: 1.6800828613165377
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Energy: 1.342085394638342
Energy: 1.3446508415690108
Energy: 1.3433089149721325
Energy: 1.6992492415996268
Energy: 1.6946017173020178
Energy: 1.3414808075717475
Energy: 1.3556646888713946
Energy: 1.3404579471356795
Energy: 1.3421460450700156
Energy: 1.4490491540499846
Energy: 1.590319420832164
Energy: 1.5829097681010604
Energy: 1.3552993816490673
Energy: 1.3445729494052514
Energy: 1.5170784515088291
Energy: 1.7139703748082211
Energy: 1.6941537663252222
Energy: 1.5171249745778677
Energy: 1.5178598565421764
Energy: 1.722838052498798
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Energy: 1.6029590817631192
Energy: 1.3444656079620787
Energy: 1.3476223739958957
Energy: 1.753747381495753
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Energy: 1.5673288675771104
Energy: 1.3542746362342941
Energy: 1.3224664756584419
Energy: 1.3406633569502184
Energy: 1.3501665235415024
Energy: 1.6945932212747212
Energy: 1.338868464150326
Energy: 1.3360038632208953
Energy: 1.319892443015374
Energy: 1.3422237584764238
Energy: 1.4809158340351234
Energy: 1.6863049101290197
Energy: 1.3422379139937184
Energy: 1.3376032007016148
Energy: 1.3377716800479122
Energy: 1.4946087498015845
Energy: 1.7157620039026713
Energy: 1.7171467571296055
Energy: 1.5553122069621483
Energy: 1.3562169132778947
Energy: 1.6476577780963126
Energy: 1.610948227022279
Energy: 1.4942469865303212
Energy: 1.681433746598495
Energy: 1.3451620530517552
Energy: 1.6527547410910455

minimum gb energy = 1.314526390115959 eV
minimum distance =  2.22582533868876 Angstroms
sigma value = 67


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

Energy: 1.7823570427598106
Energy: 1.82310295019919
Energy: 1.5837877004602057
Energy: 1.4951790959157323
Energy: 1.8245569184086203
Energy: 1.8230169238594653
Energy: 1.6334477606782944
Energy: 1.4410199195415432
Energy: 1.510846522319213
Energy: 1.4623131733112775
Energy: 1.4184648085807374
Energy: 1.540272858121529
Energy: 1.4714311450691435
Energy: 1.3305330733977219
Energy: 1.5053429475173892
Energy: 1.458773542724371
Energy: 1.420764426597933
Energy: 1.4555672084220572
Energy: 1.460126347206924
Energy: 1.493866151108384
Energy: 1.3550004065381018
Energy: 1.453117714602666
Energy: 1.347934482089103
Energy: 1.4898574638620647
Energy: 1.4751892274244542
Energy: 1.5389733852344978
Energy: 1.6586857292722785
Energy: 1.4550264255642298
Energy: 1.5164584816535625
Energy: 1.4890434276370836
Energy: 1.506511907393147
Energy: 1.543260249199355
Energy: 1.7819128678538538
Energy: 1.5183698261863898
Energy: 1.7628117557633867
Energy: 1.5343118086172007
Energy: 1.64077005326222
Energy: 1.526061730483883
Energy: 1.5460337074998938
Energy: 1.2890830793683639
Energy: 1.5317605905314997
Energy: 1.531636298651077
Energy: 1.641924383757071
Energy: 1.5265223525520653
Energy: 1.339689384515584
Energy: 1.2902098588568203
Energy: 1.320219063977247
Energy: 1.7186722621776562
Energy: 1.650611263233128
Energy: 1.296104696270902
Energy: 1.2854566095097364
Energy: 1.2710674378905762
Energy: 1.2960820145243697
Energy: 1.5195225863303192
Energy: 1.666698301998827
Energy: 1.4486283067047183
Energy: 1.3237684085230226
Energy: 1.2916498367659428
Energy: 1.3374599374433649
Energy: 1.5665731547225428
Energy: 1.666230489832899
Energy: 1.7931318222547434
Energy: 1.583004218496669
Energy: 1.2929939341096255
Energy: 1.7002161959675857
Energy: 1.777172346221705
Energy: 1.6531208754534135
Energy: 1.7046123028334608
Energy: 1.2676148523348074
Energy: 1.6594855531306398
Energy: 1.4218651241241744
Energy: 1.6504951133238306
Energy: 1.4542037192394714
Energy: 1.4505836018369607
Energy: 1.2680414803915512
Energy: 1.6315147208399499
Energy: 1.4426129739964266
Energy: 1.4797150779568125
Energy: 1.460042179962269
Energy: 1.4984822576146177
Energy: 1.3376076202797766
Energy: 1.4549541863761717
Energy: 1.419599874437611
Energy: 1.4919217212320517
Energy: 1.4518149442125134
Energy: 1.4437038929328698
Energy: 1.5076120544939318
Energy: 1.4714846545173121
Energy: 1.447355402935093
Energy: 1.4242233589232918
Energy: 1.4544156530320933
Energy: 1.4413386742013292
Energy: 1.5110920689075924
Energy: 1.457788220022484
Energy: 1.5229755444471826
Energy: 1.361229907156132
Energy: 1.6645961718213629
Energy: 1.2688691898204163
Energy: 1.4793452429072418
Energy: 1.4719446200209858
Energy: 1.4861871073290716
Energy: 1.5545014489684335
Energy: 1.6641709765280008
Energy: 1.4454470933028711
Energy: 1.516453123540362
Energy: 1.6668564218896011
Energy: 1.5259239592799885
Energy: 1.2700240827726303
Energy: 1.2757401127807972
Energy: 1.329080977155514
Energy: 1.7097104530989053
Energy: 1.709793264473963
Energy: 1.7805069998317833
Energy: 1.3438125336472415
Energy: 1.2865503325374463
Energy: 1.2903034640837934
Energy: 1.3467637874357328
Energy: 1.664615053074265
Energy: 1.2956494555487827
Energy: 1.2892281623412651
Energy: 1.2707279801048994
Energy: 1.2864108183411387
Energy: 1.2937579765142428
Energy: 1.653921063986259
Energy: 1.2978534593084
Energy: 1.2705976395036191
Energy: 1.2889040408878416
Energy: 1.3388872329643768
Energy: 1.7918268277414378
Energy: 1.4586682864441607
Energy: 1.6937456195654848
Energy: 1.299486125078028
Energy: 1.6346390559553723
Energy: 1.4507076250932762
Energy: 1.537950896840163
Energy: 1.6508249820233276
Energy: 1.4452874835092724
Energy: 1.4427595740660581

minimum gb energy = 1.2676148523348074 eV
minimum distance =  2.22178562957575 Angstroms
sigma value = 33


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

Energy: 1.7785841527620427
Energy: 1.7330477527866615
Energy: 1.5875973355524389
Energy: 1.58359337301676
Energy: 1.5950935120084124
Energy: 1.8452927605077258
Energy: 1.4785229760024767
Energy: 1.4610874786278338
Energy: 1.6421340987223982
Energy: 1.5403109999945657
Energy: 1.4620710719540524
Energy: 1.4585118463892948
Energy: 1.3395686420928936
Energy: 1.3545611289932795
Energy: 1.568650479361258
Energy: 1.4633667236528787
Energy: 1.456409086461367
Energy: 1.3364726263267004
Energy: 1.3237050198597946
Energy: 1.3537346225951892
Energy: 1.3496570591160202
Energy: 1.538719386008032
Energy: 1.3283599892001512
Energy: 1.3476046164484548
Energy: 1.3391593333683884
Energy: 1.3262593526951691
Energy: 1.4616094550017236
Energy: 1.4686447306064274
Energy: 1.3235990428996298
Energy: 1.3476771925766076
Energy: 1.3373888169799226
Energy: 1.4880362681920543
Energy: 1.6688034662182285
Energy: 1.809859039263275
Energy: 1.7965168073151332
Energy: 1.354598896880863
Energy: 1.586609876216068
Energy: 1.3512694229990208
Energy: 1.6782653561224001
Energy: 1.4687290770033972
Energy: 1.6423150324640883
Energy: 1.4223376768322793
Energy: 1.5867956224996842
Energy: 1.2818233575863143
Energy: 1.3247502839500547
Energy: 1.340678990458376
Energy: 1.349947546346384
Energy: 1.4624990534249676
Energy: 1.5170301860635345
Energy: 1.323072165899636
Energy: 1.3582681757058281
Energy: 1.3221181657075882
Energy: 1.3639014467745343
Energy: 1.5071283467787846
Energy: 1.530491733889035
Energy: 1.4194704272168608
Energy: 1.3610242452590746
Energy: 1.3256112129486715
Energy: 1.327543788034963
Energy: 1.569248502774766
Energy: 1.5322554712110146
Energy: 1.6153418734494165
Energy: 1.3422847318847244
Energy: 1.3624172647321078
Energy: 1.4189706846670993
Energy: 1.6210215550896543
Energy: 1.5384193638319816
Energy: 1.5340869254177953
Energy: 1.2305082190350152
Energy: 1.4715575806283112
Energy: 1.3257244288142604
Energy: 1.5312129109967099
Energy: 1.6636699423589272
Energy: 1.73388168896139
Energy: 1.2287988188114916
Energy: 1.6327969399439513
Energy: 1.2430414625942243
Energy: 1.60184864924189
Energy: 1.637504464933535
Energy: 1.8140147889610978
Energy: 1.2369273751090601
Energy: 1.2343313820997845
Energy: 1.3284911968824396
Energy: 1.7658082970039641
Energy: 1.6390094770621446
Energy: 1.33619705317624
Energy: 1.239566452899924
Energy: 1.2347499858821522
Energy: 1.2386626082230168
Energy: 1.547745335693155
Energy: 1.6037733561283973
Energy: 1.2695477965967692
Energy: 1.2322316447258579
Energy: 1.2236726861899005
Energy: 1.2468930724176401
Energy: 1.6769157291746593
Energy: 1.529962757069474
Energy: 1.635854287988863
Energy: 1.253012981626935
Energy: 1.2316166817753806
Energy: 1.2600315790990866
Energy: 1.6213226379655012
Energy: 1.6495793997818273
Energy: 1.4580310443537519
Energy: 1.4624124692147713
Energy: 1.3661685990567396
Energy: 1.6374541415899941
Energy: 1.5320525101146165
Energy: 1.5685942205307233
Energy: 1.5763753774704623
Energy: 1.4343587718587385
Energy: 1.8521682915318287
Energy: 1.701528662786293
Energy: 1.5723836783528136
Energy: 1.5369141447475303
Energy: 1.4585664945636898
Energy: 1.39927784975127
Energy: 1.486717665179851
Energy: 1.4622924118415102
Energy: 1.5315821766208568
Energy: 1.4178798342173082
Energy: 1.5687417118228644
Energy: 1.3408260290011655
Energy: 1.3409562979251726
Energy: 1.475066330393447
Energy: 1.61487066432683
Energy: 1.539694699623626
Energy: 1.3530706347407362
Energy: 1.3494492076097244
Energy: 1.3499127917142395
Energy: 1.3647610385115143
Energy: 1.5309435847171338
Energy: 1.4679489313472933
Energy: 1.3795285512749271
Energy: 1.3353616206990513
Energy: 1.3371947869183898
Energy: 1.3895147481665258
Energy: 1.6307715249112993
Energy: 1.6585141218680908
Energy: 1.8003415275219983
Energy: 1.3498025835329774
Energy: 1.342558106500375
Energy: 1.4998185265479156
Energy: 1.8077707276944919
Energy: 1.4693796988770256
Energy: 1.660984424587815
Energy: 1.326121336100349
Energy: 1.4956649882771398
Energy: 1.3860149537106308
Energy: 1.670651513323035
Energy: 1.3352458927812918
Energy: 1.3505709788509028
Energy: 1.8459816577617316
Energy: 1.6360582240526302
Energy: 1.2682559332317123
Energy: 1.3348032817138513
Energy: 1.323707790020993
Energy: 1.3526587028571317
Energy: 1.3253419162251243
Energy: 1.5605308453417168
Energy: 1.3573403571646243
Energy: 1.3480120035260512
Energy: 1.3230176531246889
Energy: 1.3256753266983414
Energy: 1.350392216930772
Energy: 1.5320845052828513
Energy: 1.3432475008992195
Energy: 1.353788853729013
Energy: 1.336848364165244
Energy: 1.3570970040286734
Energy: 1.6178730632767628
Energy: 1.6275577232395497
Energy: 1.617208978526061
Energy: 1.3338054521711127
Energy: 1.5386238319629153
Energy: 1.411465483749544
Energy: 1.5319658809388432
Energy: 1.5324394503329826
Energy: 1.531509518626525
Energy: 1.3205740478287542
Energy: 1.5117857397830905
Energy: 1.2467359453298081
Energy: 1.6021509152769764
Energy: 1.6636231236954953
Energy: 1.7289523503583482
Energy: 1.342402030256527
Energy: 1.3717115886708562
Energy: 1.4889142420745896
Energy: 1.6173405682713593
Energy: 1.6372242214063557
Energy: 1.6162151772874687
Energy: 1.3311766592927405
Energy: 1.2277635674185152
Energy: 1.249522889695479
Energy: 1.4182824787315829
Energy: 1.636445769036762
Energy: 1.2309499481182977
Energy: 1.238023993179936
Energy: 1.2253607083818996
Energy: 1.2315831319225918
Energy: 1.2295316757981463
Energy: 1.603727280807949
Energy: 1.2405525403296118
Energy: 1.22687360402731
Energy: 1.2285068648027355
Energy: 1.2626600009669673
Energy: 1.571774688946233
Energy: 1.5598291504319544
Energy: 1.3550926765533469
Energy: 1.2441838620872805
Energy: 1.3687237925491744
Energy: 1.6359326173883433
Energy: 1.6227775458894116
Energy: 1.664785224304024
Energy: 1.4592566421380928
Energy: 1.3501175249081645
Energy: 1.5736337124928343
Energy: 1.3793637724872108
Energy: 1.6248794924156404
Energy: 1.6583799683214904
Energy: 1.7012904778703906
Energy: 1.85233897442548

minimum gb energy = 1.2236726861899005 eV
minimum distance =  2.22137504288793 Angstroms
sigma value = 41


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

Energy: 1.8886964112811744
Energy: 1.7332558316893982
Energy: 1.325283694883306
Energy: 1.3363992001316543
Energy: 1.3241487292862621
Energy: 1.7334734467637816
Energy: 1.5868488745666296
Energy: 1.0936201054483121
Energy: 1.095135456446657
Energy: 1.3713592605946834
Energy: 1.0903973853601794
Energy: 1.3488184201624092
Energy: 1.3225511898870206
Energy: 1.0899197345387355
Energy: 1.0906815554392892
Energy: 1.0397491657823825
Energy: 1.093430124203734
Energy: 1.3587106126753627
Energy: 1.3729353659339065
Energy: 1.4129310237161252
Energy: 1.095346278427015
Energy: 1.3259798890599108
Energy: 1.0950341331764384
Energy: 1.4024209261093838
Energy: 1.3235845429759652
Energy: 1.3656037782926538
Energy: 1.4620796916822543
Energy: 1.3287864885834648
Energy: 1.4516402123959489
Energy: 1.3299576074293293
Energy: 1.3235514205124552
Energy: 1.335288426735537
Energy: 1.7294083931364939
Energy: 1.3906343311104232
Energy: 1.7088768991777226
Energy: 1.3357654714875047
Energy: 1.6122260559117467
Energy: 1.4251290868267632
Energy: 1.090906043684441
Energy: 1.3189522120511756
Energy: 1.441304166289796
Energy: 1.6861944039172432
Energy: 1.6409745240810103
Energy: 1.4095301325517327
Energy: 1.3471887574292327
Energy: 1.3207288780261637
Energy: 1.1010214031834542
Energy: 1.7439304330706087
Energy: 1.320342065470683
Energy: 1.0998282035862548
Energy: 1.0897132676907182
Energy: 1.0390052430183478
Energy: 1.0968526660721332
Energy: 1.3439021829289206
Energy: 1.3301073996759905
Energy: 1.0979423862509514
Energy: 1.0893741055229123
Energy: 1.370505988412129
Energy: 1.097650865695427
Energy: 1.3429555420821755
Energy: 1.3294413448780222
Energy: 1.412673882792487
Energy: 1.0899411632442464
Energy: 1.3238670201664422
Energy: 1.404636958335365
Energy: 1.4023962142715527
Energy: 1.3200127508312818
Energy: 1.3370387806803883
Energy: 1.101160280845658
Energy: 1.3260902370815295
Energy: 1.0936053466956726
Energy: 1.332627646461661
Energy: 1.3156899125791879
Energy: 1.3403824480372657
Energy: 1.099676446772393
Energy: 1.3790175182642483
Energy: 1.0960562049325258
Energy: 1.3440595544442486
Energy: 1.654781799785567
Energy: 1.418201822318626
Energy: 1.3390186385956018
Energy: 1.322222329184892
Energy: 1.3439916000853696
Energy: 1.7359072354077405

minimum gb energy = 1.0390052430183478 eV
minimum distance =  2.22146456220851 Angstroms
sigma value = 11


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

Energy: 1.781510089338991
Energy: 1.5092820479437732
Energy: 1.474682165796799
Energy: 1.4691460962826157
Energy: 1.4376023939002305
Energy: 1.9011669108825395
Energy: 1.256935605826046
Energy: 1.4724107759359237
Energy: 1.4287714444533193
Energy: 1.4803747063999948
Energy: 1.3809142699960408
Energy: 1.287913073079491
Energy: 1.2707013848556423
Energy: 1.2795528778037155
Energy: 1.4305382036571863
Energy: 1.5692583093145622
Energy: 1.4312532284441353
Energy: 1.2728634394778053
Energy: 1.2679309983458384
Energy: 1.276028125699945
Energy: 1.278553678146947
Energy: 1.531794334323822
Energy: 1.280750150896944
Energy: 1.2821376852385764
Energy: 1.2666791403605073
Energy: 1.2945046515742342
Energy: 1.2823996250790872
Energy: 1.5302452493548493
Energy: 1.2792472890158626
Energy: 1.2746947806211844
Energy: 1.267947359243282
Energy: 1.2811119304577794
Energy: 1.7290231378447745
Energy: 1.62261000148718
Energy: 1.7308732986033202
Energy: 1.2691818292161894
Energy: 1.3672890512586537
Energy: 1.3796341619811296
Energy: 1.5529523372505774
Energy: 1.5497599241764317
Energy: 1.6092218720322948
Energy: 1.4178954266280843
Energy: 1.6295751582041427
Energy: 1.4155185450486953
Energy: 1.438803042898316
Energy: 1.4387230197258674
Energy: 1.4388589923612114
Energy: 1.7224796569515148
Energy: 1.2711922985696382
Energy: 1.279870520506427
Energy: 1.4271876162461563
Energy: 1.7454695999191907
Energy: 1.3826842216717616
Energy: 1.2683099261293114
Energy: 1.3656157701551628
Energy: 1.3832926844851714
Energy: 1.3824992199869022
Energy: 1.74544329143915
Energy: 1.3861465053188389
Energy: 1.3726043258874396
Energy: 1.3804360527608917
Energy: 1.4139274864268745
Energy: 1.308942949362512
Energy: 1.4167728266920068
Energy: 1.3883354017980416
Energy: 1.4133049995055103
Energy: 1.3798692684799054
Energy: 1.3080614678818459
Energy: 1.4131423830858683
Energy: 1.3805070991834947
Energy: 1.3884425517080405
Energy: 1.4339758208857163
Energy: 1.4246700985107548
Energy: 1.4157156297548652
Energy: 1.3991460332650827
Energy: 1.3766148055658605
Energy: 1.4134929695511893
Energy: 1.4158287293669805
Energy: 1.6076007023376664
Energy: 1.3911027765560313
Energy: 1.3864799425013332
Energy: 1.2624578664218358
Energy: 1.394471954146521
Energy: 1.381270481899775
Energy: 1.514912806119499
Energy: 1.3806826887296926
Energy: 1.2805506224624823
Energy: 1.2746233145041261
Energy: 1.4335547475759607
Energy: 1.580386710683572
Energy: 1.4395829078955014
Energy: 1.4482625681208332
Energy: 1.4785458832882554
Energy: 1.898102025191691
Energy: 1.5355190392618545
Energy: 1.4394599115478617
Energy: 1.5287938793316282
Energy: 1.4253309004493768
Energy: 1.465112996896923
Energy: 1.2546401232620876
Energy: 1.468219422260743
Energy: 1.5235955738034765
Energy: 1.4722743359950898
Energy: 1.4313360523188408
Energy: 1.2737259037803494
Energy: 1.2787656101116835
Energy: 1.2776609477284584
Energy: 1.548815711312071
Energy: 1.5278741091766175
Energy: 1.284608053214607
Energy: 1.2839952439387687
Energy: 1.2672547735862085
Energy: 1.280324087692901
Energy: 1.4530948764081577
Energy: 1.480178859403712
Energy: 1.282278434710596
Energy: 1.282416858607606
Energy: 1.2701906540443522
Energy: 1.2792323384084918
Energy: 1.380704655584266
Energy: 1.6238407086069435
Energy: 1.7283748301940147
Energy: 1.2728667194540506
Energy: 1.268899622232357
Energy: 1.2764855011523806
Energy: 1.7316447469239475
Energy: 1.5157970835427557
Energy: 1.5811118412236314
Energy: 1.3812811024568985
Energy: 1.424384024793719
Energy: 1.3806095224504773
Energy: 1.5237783444642803
Energy: 1.4376190496861905
Energy: 1.4386719528567942
Energy: 1.7231570779258312
Energy: 1.6144812534383763
Energy: 1.5385896138431947
Energy: 1.441162582644066
Energy: 1.4708599180821567
Energy: 1.3821037320423595
Energy: 1.274322466756993
Energy: 1.2783279381890003
Energy: 1.3820677521765257
Energy: 1.2700971260141138
Energy: 1.7442811690802944
Energy: 1.3803072437346386
Energy: 1.371276666296007
Energy: 1.3671712469413584
Energy: 1.3811701064447253
Energy: 1.2715806494019664
Energy: 1.3667448181201123
Energy: 1.39054050236526
Energy: 1.4141234236202787
Energy: 1.3817120006406114
Energy: 1.4138886282565406
Energy: 1.417274866979396
Energy: 1.3775888192744887
Energy: 1.4405180700496445
Energy: 1.379766597534567
Energy: 1.381925375556969
Energy: 1.309296767385624
Energy: 1.4120993474633379
Energy: 1.3773813500628147
Energy: 1.4139756805821355
Energy: 1.307886735773884
Energy: 1.4167146191977018
Energy: 1.4226831812932843
Energy: 1.4317871244771825
Energy: 1.3675099667062627
Energy: 1.3807383525933785
Energy: 1.3804808153337058
Energy: 1.6261673491072013
Energy: 1.3816882031830822
Energy: 1.372841251574087
Energy: 1.2813299660628221
Energy: 1.4300689959309187
Energy: 1.426829606473645
Energy: 1.6415502974287937
Energy: 1.3839443695500404
Energy: 1.27877971601834
Energy: 1.684317226083656
Energy: 1.6023523266368904
Energy: 1.4409883540924933
Energy: 1.5558864193595978
Energy: 1.420718819968404
Energy: 1.4815937695668424

minimum gb energy = 1.2546401232620876 eV
minimum distance =  2.19752202188381 Angstroms
sigma value = 57


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

Energy: 2.198176677842501
Energy: 1.914380596358582
Energy: 1.4571721426027309
Energy: 1.4479297324661375
Energy: 1.5369025057754393
Energy: 1.9235200134397468
Energy: 1.2985681225658385
Energy: 1.3649454266055763
Energy: 1.3638185621071985
Energy: 1.3177473066029683
Energy: 1.3776344201556696
Energy: 1.364369633643756
Energy: 1.3104686883652583
Energy: 1.3282289534332288
Energy: 1.3439670050041082
Energy: 1.3295102873445184
Energy: 1.3454469228854216
Energy: 1.34757482092284
Energy: 1.3155357885263261
Energy: 1.3473780119224175
Energy: 1.4858481208570122
Energy: 1.317895780033349
Energy: 1.339962864747848
Energy: 1.3265688947441974
Energy: 1.3119202055187007
Energy: 1.3300306412064142
Energy: 1.3780507781818663
Energy: 1.317522073061715
Energy: 1.3558193949074413
Energy: 1.3264139955932603
Energy: 1.3163352804978983
Energy: 1.3469511029790298
Energy: 1.6305296065084671
Energy: 1.3165968636570593
Energy: 1.63473549080048
Energy: 1.31211551820364
Energy: 1.3780510660772458
Energy: 1.3744947218011416
Energy: 1.3248862488006097
Energy: 1.3113128945800638
Energy: 1.3723497727540424
Energy: 1.3445368157238458
Energy: 1.3117518728047843
Energy: 1.34406357747136
Energy: 1.3132328919683611
Energy: 1.3182099343297162
Energy: 1.3195951908773595
Energy: 1.362279877977643
Energy: 1.3163413141963718
Energy: 1.332471156861764
Energy: 1.6664623382480195
Energy: 1.298738476519717
Energy: 1.6278016028526079
Energy: 1.3110463488256605
Energy: 1.3102052589575066
Energy: 1.3372860638463366
Energy: 1.3277463006372756
Energy: 1.2986671146284026
Energy: 1.3745707762174841
Energy: 1.3129129226921248
Energy: 1.2984828994384987
Energy: 1.3435826657736494
Energy: 1.3659814410505406
Energy: 1.3171689314131716
Energy: 1.3603212249104968
Energy: 1.3464402956774963
Energy: 1.298010528117874
Energy: 1.3768937413393503
Energy: 1.3278199626082157
Energy: 1.3142262149138546
Energy: 1.3539234610362827
Energy: 1.3755281900380618
Energy: 1.3123026472227968
Energy: 1.3407310042033918
Energy: 1.3391209605292627
Energy: 1.326844496125481
Energy: 1.3403578362453972
Energy: 1.3196944764103777
Energy: 1.3164990370489096
Energy: 1.3475851711240194
Energy: 1.3138249755366285
Energy: 1.3135340870617798
Energy: 1.3612105393525655
Energy: 1.6286043217346147
Energy: 1.3164528021171344
Energy: 1.3785771351499996
Energy: 1.4844016298703888
Energy: 1.316856941924467
Energy: 1.3633088643083373
Energy: 1.3137510602971796
Energy: 1.524777634247108
Energy: 1.3262354714726492
Energy: 1.3290082082521286
Energy: 1.6198484156556288
Energy: 1.3294376625011912
Energy: 1.5389055488883354
Energy: 1.3000680136085572
Energy: 1.3682858834315765
Energy: 1.362933208519387
Energy: 1.3110975513867553
Energy: 1.3772687122040546
Energy: 1.3213457338573258

minimum gb energy = 1.298010528117874 eV
minimum distance =  2.23588759390418 Angstroms
sigma value = 9


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

Energy: 2.3853314250917377
Energy: 1.4209351945633362
Energy: 1.4625142791956287
Energy: 1.463238490897106
Energy: 1.4629436367279465
Energy: 2.0036543920842793
Energy: 1.3374144186399568
Energy: 1.4462717690043139
Energy: 1.4453967996943275
Energy: 1.380576492676192
Energy: 1.5189155306017197
Energy: 1.4145055357268579
Energy: 1.343740883458671
Energy: 1.343462990356155
Energy: 1.4282171805314745
Energy: 1.4293096845883226
Energy: 1.4446166930621165
Energy: 1.3419836563990593
Energy: 1.3809278157201963
Energy: 1.4375553818846578
Energy: 1.3710195638615783
Energy: 1.3481765426070595
Energy: 1.4329344701628928
Energy: 1.3677892729174288
Energy: 1.369939712869108
Energy: 1.3837558061674962
Energy: 1.3707852006083971
Energy: 1.3715580748440666
Energy: 1.367604085860724
Energy: 1.3838889895726945
Energy: 1.3490680981194423
Energy: 1.3691063735655273
Energy: 1.383754273646061
Energy: 1.3744157584788268
Energy: 1.3974026004803173
Energy: 1.3660811979217649
Energy: 1.3789662201469164
Energy: 1.4481989218102036
Energy: 1.367594632837177
Energy: 1.378360456965378
Energy: 1.3685030240763925
Energy: 1.4083206893797888
Energy: 1.3795528850770609
Energy: 1.4993955708683269
Energy: 1.3429629404836598
Energy: 1.342165762944951
Energy: 1.342596734388466
Energy: 1.5043304203142653
Energy: 1.3485018098420327
Energy: 1.3712878228090095
Energy: 1.5024939808341915
Energy: 1.3772129605116283
Energy: 1.4959587678543655
Energy: 1.3511689602731696
Energy: 1.3426880545852051
Energy: 1.344773648400533
Energy: 1.500068537311317
Energy: 1.3782605853068859
Energy: 1.4966540445729055
Energy: 1.4156337930207967
Energy: 1.3375742802504518
Energy: 1.4994474342242459
Energy: 1.3538494437738537
Energy: 1.3424602108460486
Energy: 1.3614365384194045
Energy: 1.4270752357377998
Energy: 1.3401459239006153
Energy: 1.5029828674572312
Energy: 1.371275398631798
Energy: 1.3902402136212322
Energy: 1.395893706360094
Energy: 1.4308272918956977
Energy: 1.3416499577194643
Energy: 1.342460363793611
Energy: 1.5039363274961024
Energy: 1.394082675678007
Energy: 1.4511194715226272
Energy: 1.3431355939191132
Energy: 1.342066840957617
Energy: 1.3696546789433222
Energy: 1.457473265723779
Energy: 1.390646873086876
Energy: 1.4612164824146598
Energy: 1.3814697888823482
Energy: 1.3694960620679293
Energy: 1.3856187805273055
Energy: 1.3650604591311304
Energy: 1.3478588768751927
Energy: 1.3665056696407434
Energy: 1.385597974114506
Energy: 1.3694157644920861
Energy: 1.369159616814883
Energy: 1.3813397500739395
Energy: 1.3841987960657085
Energy: 1.3928907854020895
Energy: 1.3677238874459676
Energy: 1.3499106831032557
Energy: 1.4085615755700767
Energy: 1.3675649897118844
Energy: 1.3663618502349304
Energy: 1.4441150528573783
Energy: 1.4173021858866768
Energy: 1.382930336113834
Energy: 1.4565095066542437
Energy: 1.3434462281447277
Energy: 1.3424077222698383
Energy: 1.3465640833617605
Energy: 1.7295048263360455
Energy: 1.3875119423297462
Energy: 1.4026145463857427
Energy: 1.4830563836697845
Energy: 1.3491382769792053
Energy: 1.5164926907278389
Energy: 1.3701469481306923
Energy: 1.3490909304384167
Energy: 1.3496269718324623
Energy: 1.409516233555231
Energy: 1.7168780614556352
Energy: 1.359125533130031
Energy: 1.3488796762458435
Energy: 1.33791360396604
Energy: 1.510955401495427
Energy: 1.3683394943976632
Energy: 1.3432305608474908
Energy: 1.4474459766753625
Energy: 1.3695234301370816

minimum gb energy = 1.3374144186399568 eV
minimum distance =  2.23610534771959 Angstroms
sigma value = 27


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

Energy: 1.6180279426903612
Energy: 1.4360051228007322
Energy: 1.4769082222784031
Energy: 1.4746725364068833
Energy: 1.4767445674531474
Energy: 1.7752756561221916
Energy: 1.3572949790783009
Energy: 1.510453728861013
Energy: 1.379926480061305
Energy: 1.3701472599622047
Energy: 1.5837046414166842
Energy: 1.4261243343416155
Energy: 1.3580095438079907
Energy: 1.3673809923780547
Energy: 1.5677484142523266
Energy: 1.6377080427491735
Energy: 1.4614317022836565
Energy: 1.3654713139250232
Energy: 1.3595118020352401
Energy: 1.4889697366159544
Energy: 1.5112792737650305
Energy: 1.3710784762019776
Energy: 1.4968888706617876
Energy: 1.3647925081275878
Energy: 1.3681080068814702
Energy: 1.4624739668382674
Energy: 1.3804806803897922
Energy: 1.391464318878952
Energy: 1.3817316064502605
Energy: 1.4518422285488821
Energy: 1.3476236177152487
Energy: 1.4955870521144397
Energy: 1.4025792789630298
Energy: 1.38088305231318
Energy: 1.404506006019004
Energy: 1.3463284675565754
Energy: 1.362488171077959
Energy: 1.4302954568837454
Energy: 1.3859338724203256
Energy: 1.3866331938294765
Energy: 1.384568102917493
Energy: 1.4574681997108636
Energy: 1.3631302460946375
Energy: 1.4562889882668109
Energy: 1.466197731878019
Energy: 1.3681292029085879
Energy: 1.4059103822029042
Energy: 1.4576613025929221
Energy: 1.3454655452991346
Energy: 1.360923942461658
Energy: 1.5120410085056126
Energy: 1.3684976372891968
Energy: 1.5035781138171587
Energy: 1.3609452138701659
Energy: 1.3310870535849635
Energy: 1.4120342670841495
Energy: 1.519591505575228
Energy: 1.3701940979661864
Energy: 1.5197498912839977
Energy: 1.414845358459572
Energy: 1.3616358198510654
Energy: 1.495676093292012
Energy: 1.4068635609071913
Energy: 1.3867363344182086
Energy: 1.360341640522361
Energy: 1.8127269984085745
Energy: 1.360541329307213
Energy: 1.4998446304474802
Energy: 1.3503645508386424
Energy: 1.3449131738978186
Energy: 1.4542840014994927
Energy: 1.5031225899557898
Energy: 1.3314388362301335
Energy: 1.3345289051184148
Energy: 1.4953394614555418
Energy: 1.3153821505804542
Energy: 1.3156082842289367
Energy: 1.3343267342424727
Energy: 1.3346659576275217
Energy: 1.3299545378786035
Energy: 1.5021125126851917
Energy: 1.3453983073568911
Energy: 1.4985316996494689
Energy: 1.3510520634848049
Energy: 1.4062082633694502
Energy: 1.4926787384407416
Energy: 1.3557035505135047
Energy: 1.3417694246136307
Energy: 1.352599207164884
Energy: 1.5690585122769694
Energy: 1.347647912660022
Energy: 1.458121474811028
Energy: 1.356966037745159
Energy: 1.4369846866807063
Energy: 1.435572271245731
Energy: 1.3882076481207424
Energy: 1.330826277997635
Energy: 1.4275808631516236
Energy: 1.481300480048439
Energy: 1.3885621772310037
Energy: 1.3429581703046614
Energy: 1.427348951797665
Energy: 1.3767522246548192
Energy: 1.3744339817581759
Energy: 1.5363836668968687
Energy: 1.370015107213501
Energy: 1.4013457399124871
Energy: 1.3759146550755161
Energy: 1.376239925439775
Energy: 1.3879395261732637
Energy: 1.4839098378142
Energy: 1.3661159535164433
Energy: 1.4574545100139684
Energy: 1.3872015829945583
Energy: 1.3828120129859645
Energy: 1.4211361457865312
Energy: 1.456998627098225
Energy: 1.4587045065471456
Energy: 1.459228831209525
Energy: 1.4652882535906677
Energy: 1.3636667329873104
Energy: 1.4957231004910405
Energy: 1.3701154660697308
Energy: 1.3673560234491138
Energy: 1.497188372746811
Energy: 1.4556007641077122
Energy: 1.3556384050488473
Energy: 1.4668539131338294
Energy: 1.371387844225673
Energy: 1.3640144468083635
Energy: 1.463569154836686
Energy: 1.7787262746402293
Energy: 1.364571552592537
Energy: 1.3684200471377916
Energy: 1.5846811459651349
Energy: 1.3608154822081313
Energy: 1.5945938736491214
Energy: 1.3666682094697495
Energy: 1.357764777291093
Energy: 1.396090620682055
Energy: 1.553322637421891
Energy: 1.3618051448632997
Energy: 1.3982389481043687
Energy: 1.3559872459129465
Energy: 1.358319820041737
Energy: 1.5818266153788272
Energy: 1.4591040042896712
Energy: 1.4485557660621835
Energy: 1.3870603488349513
Energy: 1.5855996317149275

minimum gb energy = 1.3153821505804542 eV
minimum distance =  2.21657041752901 Angstroms
sigma value = 19


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

Energy: 1.538963950842575
Energy: 1.3807676261960518
Energy: 1.4264006500253419
Energy: 1.4259127526640554
Energy: 1.4259168779505784
Energy: 1.3157487572206537
Energy: 1.2893060503774578
Energy: 1.4495828118949394
Energy: 1.3452296291105323
Energy: 1.3312743779036762
Energy: 1.6094692301384745
Energy: 1.384950068195716
Energy: 1.2879416271034203
Energy: 1.3392809480211887
Energy: 1.572418923797712
Energy: 1.5192035112072064
Energy: 1.337236592353114
Energy: 1.3375369835963855
Energy: 1.2910096209138424
Energy: 1.5166113315903542
Energy: 1.4630167811854269
Energy: 1.3311773553760944
Energy: 1.461811754123722
Energy: 1.3395496689535753
Energy: 1.267530089080826
Energy: 1.4640021123514515
Energy: 1.3457317130507058
Energy: 1.3218042162364578
Energy: 1.3456328004916003
Energy: 1.4631042064513662
Energy: 1.292187706275589
Energy: 1.3884940115450062
Energy: 1.345495023085884
Energy: 1.290027430027836
Energy: 1.345018604690691
Energy: 1.295561255092164
Energy: 1.2999305320377013
Energy: 1.3533734694089907
Energy: 1.3492527123434088
Energy: 1.3556963940431057
Energy: 1.3636232864478353
Energy: 1.3542026498367483
Energy: 1.3001668768821544
Energy: 1.3540571272595199
Energy: 1.4687109577330246
Energy: 1.2906182270210083
Energy: 1.3540349990981841
Energy: 1.3549418563330478
Energy: 1.316027762934567
Energy: 1.3554875025569304
Energy: 1.4093669191527858
Energy: 1.3014941514609657
Energy: 1.3555741052914096
Energy: 1.355136705638816
Energy: 1.3000762817949418
Energy: 1.4203246450034
Energy: 1.4702591118976995
Energy: 1.2901483458098288
Energy: 1.4701873957420706
Energy: 1.3659079226774005
Energy: 1.2769092307655232
Energy: 1.3668505790091938
Energy: 1.3075117962665446
Energy: 1.306316291022602
Energy: 1.3077749690113065
Energy: 1.5432530857913194
Energy: 1.3000355475784
Energy: 1.5489091336794452
Energy: 1.3883765102941144
Energy: 1.2941079445662862
Energy: 1.3669188257677285
Energy: 1.5484346166997003
Energy: 1.3005538690756018
Energy: 1.3435446983369104
Energy: 1.3914222436875614
Energy: 1.28505544874444
Energy: 1.4224003934311564
Energy: 1.3010999403206187
Energy: 1.2560834653750632
Energy: 1.3504317990836925
Energy: 1.5292185655490091
Energy: 1.2918613557985885
Energy: 1.5230683253435349
Energy: 1.2570852795590066
Energy: 1.2730069710275007
Energy: 1.2820620390935262
Energy: 1.295233343834019
Energy: 1.2940012787148552
Energy: 1.2931865000248235
Energy: 1.526064965452938
Energy: 1.256159596695086
Energy: 1.5274730099748244
Energy: 1.3183656304174312
Energy: 1.2934415117553488
Energy: 1.2838543821601522
Energy: 1.5240846248824569
Energy: 1.2559267947039647
Energy: 1.3058118918867785
Energy: 1.5737920559492673
Energy: 1.6359887666727109
Energy: 1.5313886345480339
Energy: 1.3059368818661132
Energy: 1.2949055060846273
Energy: 1.4166251604308002
Energy: 1.4775220846245585
Energy: 1.3257707057204202
Energy: 1.4344816726450385
Energy: 1.3410471264748909
Energy: 1.2678398024279274
Energy: 1.4562275190774918
Energy: 1.4098823967663425
Energy: 1.2934849826920736
Energy: 1.4186689651459357
Energy: 1.4563911984391482
Energy: 1.293247399782802
Energy: 1.4906529839746683
Energy: 1.317454096788433
Energy: 1.3167344050353118
Energy: 1.3161527637900097
Energy: 1.3984271205015613
Energy: 1.2931256918161944
Energy: 1.482771676815997
Energy: 1.358209396033096
Energy: 1.3640653599222112
Energy: 1.3606997253154025
Energy: 1.3594548584506587
Energy: 1.2932323076603516
Energy: 1.3598793684858979
Energy: 1.4387820054598874
Energy: 1.2908600704320279
Energy: 1.4335681236355193
Energy: 1.360955071138414
Energy: 1.2934228812062798
Energy: 1.348080714799577
Energy: 1.4642700603238397
Energy: 1.2902173271648052
Energy: 1.3912876094455058
Energy: 1.3493679446621838
Energy: 1.3001713041767347
Energy: 1.3480301599677669
Energy: 1.4646194892719937
Energy: 1.2903604228335899
Energy: 1.4619566483991793
Energy: 1.348265578279204
Energy: 1.3005184038853614
Energy: 1.4617049687392902
Energy: 1.3358193265241987
Energy: 1.2904375446365968
Energy: 1.338522178253201
Energy: 1.4616014665739923
Energy: 1.2760724541160327
Energy: 1.4504585035724982
Energy: 1.3359384631712077
Energy: 1.2877057587594143
Energy: 1.3355995653680193
Energy: 1.621552672130826
Energy: 1.3008704529024377
Energy: 1.3498710904362292
Energy: 1.615807795732238
Energy: 1.2856543143784591
Energy: 1.47954691838302
Energy: 1.3003858429934148
Energy: 1.288192593859733
Energy: 1.3260611277521865
Energy: 1.3926324217768553
Energy: 1.2676246232983466
Energy: 1.3519219470281636
Energy: 1.289582230049784
Energy: 1.325852913838926
Energy: 1.6235303802317655
Energy: 1.4418792965395477
Energy: 1.397771316077388
Energy: 1.4024967288481365
Energy: 1.6132270779314417

minimum gb energy = 1.2559267947039647 eV
minimum distance =  2.21839832286742 Angstroms
sigma value = 101


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

Energy: 1.4624269390978748
Energy: 1.2597946789116057
Energy: 1.3041191978717972
Energy: 1.3301464482657834
Energy: 1.326937640916237
Energy: 1.568204769350043
Energy: 1.2091480266124395
Energy: 1.4174727287271325
Energy: 1.211943901736056
Energy: 1.2388512843614794
Energy: 1.6004268138509532
Energy: 1.2108362266587185
Energy: 1.2217305524689157
Energy: 1.2333425249174754
Energy: 1.5415721519695054
Energy: 1.542527648725705
Energy: 1.2958478639548814
Energy: 1.2225351797476265
Energy: 1.2337665763799104
Energy: 1.5500032796530614
Energy: 1.377648783873405
Energy: 1.304327219283518
Energy: 1.4573347160899823
Energy: 1.3227118916055525
Energy: 1.2072770866545068
Energy: 1.3816629918338528
Energy: 1.3069006262379068
Energy: 1.21693336655529
Energy: 1.308126858286682
Energy: 1.3779259489311286
Energy: 1.2334957090926981
Energy: 1.3356933249754852
Energy: 1.309266433753232
Energy: 1.2107579401642254
Energy: 1.307837639258559
Energy: 1.2370845432524857
Energy: 1.2337420564165056
Energy: 1.2839764957066555
Energy: 1.3362436784533973
Energy: 1.3429430533711804
Energy: 1.3534829408548377
Energy: 1.2836979064640583
Energy: 1.221259112497132
Energy: 1.2852659494065122
Energy: 1.2106225670119855
Energy: 1.2116180821350777
Energy: 1.2847408375836933
Energy: 1.2840669793314772
Energy: 1.2520935638546646
Energy: 1.2853247106148662
Energy: 1.3356246279449728
Energy: 1.2388690546215735
Energy: 1.3025276428888513
Energy: 1.2839800249210418
Energy: 1.2339474752940263
Energy: 1.403744269527137
Energy: 1.3363778992017725
Energy: 1.212399188393351
Energy: 1.3360148850504991
Energy: 1.3121428132014987
Energy: 1.234343505730285
Energy: 1.3046877680171858
Energy: 1.2478157331717104
Energy: 1.2459347698159355
Energy: 1.308350573072276
Energy: 1.4621547249786364
Energy: 1.2335823141635804
Energy: 1.4569331862782628
Energy: 1.4476200274545772
Energy: 1.214958015214174
Energy: 1.4500295790148017
Energy: 1.4608558553847266
Energy: 1.2348234773044844
Energy: 1.3019249817728449
Energy: 1.3033720534913478
Energy: 1.230820037355146
Energy: 1.3018539210245603
Energy: 1.2353041313144089
Energy: 1.2145949592959913
Energy: 1.309080774448053
Energy: 1.5987973478172472
Energy: 1.2299754612407077
Energy: 1.6147619261767026
Energy: 1.30848790543354
Energy: 1.236236896413472
Energy: 1.2116316315487616
Energy: 1.2129931613423937
Energy: 1.2387436240418321
Energy: 1.2124162643334426
Energy: 1.4130780230943072
Energy: 1.2432684837801904
Energy: 1.599634886752821
Energy: 1.3731013031259933
Energy: 1.2138201744619375
Energy: 1.399094445073552
Energy: 1.2767222982996413
Energy: 1.3048155844327023
Energy: 1.2163323295277992
Energy: 1.2573373359529942
Energy: 1.5397030248227264
Energy: 1.216838861868537
Energy: 1.219511721540954
Energy: 1.2384422084358326
Energy: 1.401128414038322
Energy: 1.5990054019953972
Energy: 1.209254279987574
Energy: 1.614146757068484
Energy: 1.212470428031128
Energy: 1.251668675330226
Energy: 1.4910214252390364
Energy: 1.2792261224771868
Energy: 1.2196828731754052
Energy: 1.2794205261482525
Energy: 1.5436112465533485
Energy: 1.252758790790815
Energy: 1.5185704046756112
Energy: 1.3040382167134315
Energy: 1.233438343722018
Energy: 1.2953844013112503
Energy: 1.3781065112697317
Energy: 1.210704416161243
Energy: 1.3780011018278935
Energy: 1.4631535140733616
Energy: 1.376740024141069
Energy: 1.4465204201409165
Energy: 1.3715391199062574
Energy: 1.2118708911016378
Energy: 1.3089071128043275
Energy: 1.3635162196170771
Energy: 1.232955149109486
Energy: 1.3082780508610539
Energy: 1.2465896482491252
Energy: 1.2390641454885933
Energy: 1.3354418773671208
Energy: 1.3487616111715268
Energy: 1.2211697870455973
Energy: 1.349180461863994
Energy: 1.341842865773974
Energy: 1.212437907445647
Energy: 1.3044401861497181
Energy: 1.283511687614715
Energy: 1.2351934900680082
Energy: 1.28502312941992
Energy: 1.3278162916458667
Energy: 1.2112097551556267
Energy: 1.3038204857394264
Energy: 1.283657511890542
Energy: 1.284699516943969
Energy: 1.2835412475826071
Energy: 1.3046393938978906
Energy: 1.2385163767543619
Energy: 1.3354314901284465
Energy: 1.4032505772382498
Energy: 1.2351530324776352
Energy: 1.411371603828537
Energy: 1.3375064014472222
Energy: 1.2115508532828025
Energy: 1.3083710275205727
Energy: 1.3087323911652218
Energy: 1.2330305508359296
Energy: 1.3079681214764873
Energy: 1.247138129481314
Energy: 1.2461648410560069
Energy: 1.30842139026366
Energy: 1.4596147625078966
Energy: 1.2337592780425997
Energy: 1.4594779296698612
Energy: 1.2479811641353904
Energy: 1.2301517909489632
Energy: 1.5198865495416676
Energy: 1.302180122481799
Energy: 1.2351492763379814
Energy: 1.231385459906687
Energy: 1.5170571772784074
Energy: 1.2301808919768764
Energy: 1.3021521506348426
Energy: 1.2158925028732892
Energy: 1.2155780504755729
Energy: 1.2785582029265075
Energy: 1.611795103683441
Energy: 1.2389259183531773
Energy: 1.2111395870125987
Energy: 1.6164389409771989
Energy: 1.2425930448167437
Energy: 1.3889042361728359
Energy: 1.212067283682153
Energy: 1.2145443745186968
Energy: 1.3098337081281195
Energy: 1.6127657907821646
Energy: 1.2430418154643033
Energy: 1.212473256346255
Energy: 1.2146776398279815
Energy: 1.2579430264956197
Energy: 1.211388077971658
Energy: 1.2798675860185307
Energy: 1.304557079089971
Energy: 1.279922283304185
Energy: 1.5417165355140365

minimum gb energy = 1.2072770866545068 eV
minimum distance =  2.21860523965601 Angstroms
sigma value = 33


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

Energy: 0.014416825631248603
Energy: 0.015224051759466216
Energy: 0.09047270155038438
Energy: 0.09021048256449322
Energy: 0.09191209563731238
Energy: 0.015111762802592124
Energy: 0.014551528261251943
Energy: 0.1048937134398524
Energy: 0.10475875406860768
Energy: 0.1059697470748539
Energy: 0.10394251590781034
Energy: 0.1053912283767635
Energy: 0.8613561033922601
Energy: 0.09389451949799009
Energy: 0.015065320930109472
Energy: 0.016569940762111397
Energy: 0.09164329226729036
Energy: 0.09013912887597084
Energy: 0.10389575780035513
Energy: 0.10489371344123471
Energy: 0.10475875407279409
Energy: 0.1059697470748539
Energy: 0.10394251590638855
Energy: 0.10539122837747439

minimum gb energy = 0.014416825631248603 eV
minimum distance =  2.44469874594036 Angstroms
sigma value = 1