Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
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=2.855324625968933
cohesive_energy=4.122759316666129
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]
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: 0.01274279423741351
Energy: 0.21508380866532056
Energy: 0.21445158445201798
Energy: 0.21440237671274673
Energy: 0.21549703867007242
Energy: 0.012909904108059032
Energy: 0.21508380866632593
Energy: 0.9278145532609956
Energy: 0.9278345039972589
Energy: 0.21444226978956832
Energy: 0.9274132775873455
Energy: 0.21441213333228545
Energy: 0.21445158445201798
Energy: 0.9278345043234714
Energy: 0.9279254993462197
Energy: 0.012951858978335987
Energy: 0.21441228071569565
Energy: 0.9278054339704316
Energy: 0.21440237456235842
Energy: 0.214442269771388
Energy: 0.012951858978335987
Energy: 0.012868737937018893
Energy: 0.21489178543199264
Energy: 0.21446616748216898
Energy: 0.2154970386685923
Energy: 0.9274133915308923
Energy: 0.21441228071371285
Energy: 0.21489178543148998
Energy: 0.9273153930733853
Energy: 0.21447060048669628
Energy: 0.01290990410755635
Energy: 0.2144121333318107
Energy: 0.9278054339704316
Energy: 0.214466058530167
Energy: 0.2144706004380479
Energy: 0.012886297097152534

minimum gb energy = 0.01274279423741351 eV
minimum distance =  2.47172502207846 Angstroms
sigma value = 1


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

Energy: 1.8118102496409705
Energy: 1.2379455238743189
Energy: 1.3198979578639314
Energy: 1.2262398660009182
Energy: 1.2694077426571075
Energy: 1.2600325078997914
Energy: 1.1995644155810667
Energy: 1.3344277454806495
Energy: 1.2140246833767876
Energy: 1.200812357846804
Energy: 1.2334651732517938
Energy: 1.3207799257175923
Energy: 1.134258050041657
Energy: 1.230517332367776
Energy: 1.3680501956799307
Energy: 1.2618003190898228
Energy: 1.2355119520665918
Energy: 1.2215775970518281
Energy: 1.192074449784158
Energy: 1.2152788724447714
Energy: 1.2853553399256368
Energy: 1.3855604564106645
Energy: 1.240459001151126
Energy: 1.2056661886704076
Energy: 1.2423663765707562
Energy: 1.2173140109184732
Energy: 1.3087203753164633
Energy: 1.200658463385242
Energy: 1.292326328607982
Energy: 1.2805022176396705
Energy: 1.2711258836088395
Energy: 1.2867202854214381
Energy: 1.2862354304409387
Energy: 1.1991606361813663
Energy: 1.2846057500246906
Energy: 1.284582448609529
Energy: 1.2463040931777636
Energy: 1.2849845598291727
Energy: 1.2845843858986952
Energy: 1.3254611802322935
Energy: 1.2846266093721475
Energy: 1.285726973351828
Energy: 1.1548919411780516
Energy: 1.155699654796783
Energy: 1.1990856425350684
Energy: 1.1302184464476794
Energy: 1.3590128563407955
Energy: 1.156135257359315
Energy: 1.115559073148428
Energy: 1.2852396245186117
Energy: 1.3018560996632844
Energy: 1.2007803604041154
Energy: 1.2878942179920292
Energy: 1.2846366620107654
Energy: 1.120595605292332
Energy: 1.2839235368911486
Energy: 1.2855275794012029
Energy: 1.199880911190972
Energy: 1.284563259884107
Energy: 1.2987022218576545
Energy: 1.1550104999209705
Energy: 1.1562361053166215
Energy: 1.2079936618915033
Energy: 1.1321719166994058
Energy: 1.203035850389237
Energy: 1.1581765317961206
Energy: 1.1940264675906231
Energy: 1.2122289401609454
Energy: 1.2747835271683177
Energy: 1.1162895173541114
Energy: 1.2359478886207371
Energy: 1.1930691238614215
Energy: 1.2005227362573507
Energy: 1.2125484827861475
Energy: 1.268200606896909
Energy: 1.3530635009158476
Energy: 1.2171322287792972
Energy: 1.2685392709354266
Energy: 1.1978405848043
Energy: 1.204932830044663
Energy: 1.2043771722761978
Energy: 1.1322455427841305
Energy: 1.2140142427917648
Energy: 1.2024914208475876
Energy: 1.1284982327977626
Energy: 1.2071354373652003
Energy: 1.209768719142354
Energy: 1.200101402010193
Energy: 1.2098175634905206
Energy: 1.285701668747318
Energy: 1.1301259215672275
Energy: 1.1986986212384643
Energy: 1.2062425151047567
Energy: 1.1942267504200996
Energy: 1.2330023379784538
Energy: 1.3082295300727376
Energy: 1.1997366097030222
Energy: 1.2223397480237608
Energy: 1.2503870787205154
Energy: 1.2460155663639747
Energy: 1.288422833468906
Energy: 1.2128003199359232
Energy: 1.1981936257644143
Energy: 1.2875740204170163
Energy: 1.284659708397557
Energy: 1.2839933734710915
Energy: 1.2888489745402318
Energy: 1.3703168563074126
Energy: 1.200067537060418
Energy: 1.28882382871912
Energy: 1.3738610234629656
Energy: 1.2555406361112256
Energy: 1.2882689337763338
Energy: 1.319290771390662
Energy: 1.2245172295726616
Energy: 1.2850644708642724
Energy: 1.1549352824436032
Energy: 1.2443133661856318
Energy: 1.2863887115442503
Energy: 1.3811167097586337
Energy: 1.1981123556509459
Energy: 1.2847919869208126
Energy: 1.3007770487668764
Energy: 1.300062689460998
Energy: 1.2883608536408822
Energy: 1.2852446146406133
Energy: 1.1313810833060958
Energy: 1.284396729167251
Energy: 1.2847773947722418
Energy: 1.1185929190920343
Energy: 1.2881180583631817
Energy: 1.2093432917906157
Energy: 1.1210402808770488
Energy: 1.3259575780009452
Energy: 1.1949105745701085
Energy: 1.1930459026395401
Energy: 1.2259004924180845
Energy: 1.29949598302031

minimum gb energy = 1.115559073148428 eV
minimum distance =  2.19232348259686 Angstroms
sigma value = 33


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

Energy: 2.3222770780479243
Energy: 1.28337276491579
Energy: 1.20532892472884
Energy: 1.247387182321947
Energy: 1.2781477516643156
Energy: 1.3470067461018016
Energy: 1.3684335494285
Energy: 1.4905093049929186
Energy: 1.2553904225085826
Energy: 1.22831907817945
Energy: 1.224695387529105
Energy: 1.3197140287482674
Energy: 1.3658889397267004
Energy: 1.3039377201172793
Energy: 1.2994135309909727
Energy: 1.2459006672976474
Energy: 1.2991359869053714
Energy: 1.3741561522837724
Energy: 1.3015041903709093
Energy: 1.2936987761325376
Energy: 1.2957985052199894
Energy: 1.4475065078761433
Energy: 1.296034537631745
Energy: 1.304370790772697
Energy: 1.351866921039667
Energy: 1.2925144940096311
Energy: 1.338008438809778
Energy: 1.4179852839009024
Energy: 1.503786531062489
Energy: 1.3422830356920392
Energy: 1.2262954336981564
Energy: 1.3633796763002597
Energy: 1.3605633294316186
Energy: 1.227757397607629
Energy: 1.3615148473312446
Energy: 1.3652526749310616
Energy: 1.226333750371536
Energy: 1.3632332199883421
Energy: 1.3607307027676032
Energy: 1.4878253376153865
Energy: 1.3618325647027691
Energy: 1.3630855697931916
Energy: 1.2276354920304664
Energy: 1.2190280937282334
Energy: 1.2603287190974894
Energy: 1.2286248699535918
Energy: 1.3596515866429169
Energy: 1.223505995689839
Energy: 1.3246455809846567
Energy: 1.2976806749080942
Energy: 1.3118240255541598
Energy: 1.3026619948891833
Energy: 1.297046581864059
Energy: 1.439683926259732
Energy: 1.1675058691661557
Energy: 1.2987236622516323
Energy: 1.3337338379195065
Energy: 1.359818233659801
Energy: 1.2954228369287566
Energy: 1.3339824141799819
Energy: 1.3187967113971093
Energy: 1.3425358027040404
Energy: 1.3106862744293144
Energy: 1.3185265667315158
Energy: 1.3049548508677287
Energy: 1.2391645762513888
Energy: 1.2277414816414183
Energy: 1.2196207917969721
Energy: 1.2242932016380452
Energy: 1.1976858134786021
Energy: 1.2404578442322038
Energy: 1.2217540270600236
Energy: 1.2018144527591546
Energy: 1.2208069736811917
Energy: 1.2395579286182987
Energy: 1.198155601932271
Energy: 1.2401664820602067
Energy: 1.2232342725997423
Energy: 1.288122874794982
Energy: 1.2872405146518664
Energy: 1.3069035418212605
Energy: 1.366648850140729
Energy: 1.3176192859064666
Energy: 1.2007650143909527
Energy: 1.2248888810449614
Energy: 1.3455686744394453
Energy: 1.3841682313443122
Energy: 1.3289212475455148
Energy: 1.347571926076871
Energy: 1.3448451732717215
Energy: 1.2479274167459684
Energy: 1.3467874574872283
Energy: 1.3568446482621528
Energy: 1.438758595049681
Energy: 1.344783967166483
Energy: 1.4178436432704042
Energy: 1.2836838214043045
Energy: 1.1989815666494386
Energy: 1.4851165113290972
Energy: 1.3662956151516068
Energy: 1.3843943367848808
Energy: 1.2880459061000222
Energy: 1.1653857748768597
Energy: 1.3443874653618297
Energy: 1.345097605602126
Energy: 1.4376190627037742
Energy: 1.3479025328477283
Energy: 1.3599701190028624
Energy: 1.1653275743499119
Energy: 1.3450861008373125
Energy: 1.3457839878315112
Energy: 1.3630584849064107
Energy: 1.3456468783653437
Energy: 1.3471902761963426
Energy: 1.2021245883853224
Energy: 1.203949992024155
Energy: 1.3236432036183052
Energy: 1.3677872167920864
Energy: 1.5010102909325274
Energy: 1.205763701941695
Energy: 1.203466964382216
Energy: 1.224446785814469
Energy: 1.2639846451082528
Energy: 1.4262300218764519
Energy: 1.2504540995094484
Energy: 1.202210691358535
Energy: 1.229154929539027
Energy: 1.2252502616812846
Energy: 1.3599103557870014
Energy: 1.2669081965845532
Energy: 1.224852417673347
Energy: 1.253509364240116
Energy: 1.41725606374027
Energy: 1.5012177632168868
Energy: 1.312137371797223
Energy: 1.3202472029936159
Energy: 1.3001671514054132
Energy: 1.350267632788473
Energy: 1.1979050281279096
Energy: 1.2979391041772443
Energy: 1.3773934004802946
Energy: 1.3042911820347982
Energy: 1.2992077974497014
Energy: 1.3498071350685081
Energy: 1.4175916967464663
Energy: 1.500989963239344
Energy: 1.299970447610844
Energy: 1.3402181647839753
Energy: 1.3032593788244111
Energy: 1.3477548783618518
Energy: 1.226833768013516
Energy: 1.3622811622873643
Energy: 1.3628462360456022
Energy: 1.2271687818814674
Energy: 1.3624660968680489
Energy: 1.2619057525579047
Energy: 1.2841852392110438
Energy: 1.3600509590195944
Energy: 1.3613453720407374
Energy: 1.4352553438793554
Energy: 1.3642582054506631
Energy: 1.3622012631097407
Energy: 1.226715374966526
Energy: 1.3686246158001218
Energy: 1.2208402935613187
Energy: 1.226711699255231
Energy: 1.3620495716727605
Energy: 1.3974852760849013
Energy: 1.3045369013674264
Energy: 1.323443029393873
Energy: 1.4227720853977968
Energy: 1.3572851010857663
Energy: 1.3013153285350711
Energy: 1.391656812579267
Energy: 1.3279683791975527
Energy: 1.3376611593924563
Energy: 1.332538009384691
Energy: 1.4018022483908705
Energy: 1.2995561298751002
Energy: 1.3897965491333601
Energy: 1.3186800923800943
Energy: 1.2998042818558286
Energy: 1.3510767673034891
Energy: 1.3222442238726728
Energy: 1.2984135651071902
Energy: 1.33745423569115
Energy: 1.394852644727
Energy: 1.2238590041681154
Energy: 1.251673504860689
Energy: 1.2488621764920802
Energy: 1.2242245617380971
Energy: 1.5516279844847154
Energy: 1.2938704356974116
Energy: 1.2325705528903481
Energy: 1.2332623330654304
Energy: 1.2015857986343488
Energy: 1.2183388745206394
Energy: 1.2976996037321227
Energy: 1.3686016445953615
Energy: 1.305376894383004
Energy: 1.268791257590181
Energy: 1.2014216710088728
Energy: 1.2240267906412807
Energy: 1.3212075076108072
Energy: 1.328902230231173
Energy: 1.3851228592161604
Energy: 1.3438913258672767
Energy: 1.225622431831118
Energy: 1.3469100212305527
Energy: 1.4247795496715983
Energy: 1.3265435997499802
Energy: 1.3461797826140205
Energy: 1.344820664655171
Energy: 1.245902135786407
Energy: 1.3441359320920443
Energy: 1.3563250973549166
Energy: 1.3194906710969552
Energy: 1.3350734417696832
Energy: 1.1990608576430208
Energy: 1.381249771048029
Energy: 1.1996458741046492
Energy: 1.3423429804808005
Energy: 1.3291475466006575
Energy: 1.3458780926059561
Energy: 1.3465078904832921
Energy: 1.1669825034236343
Energy: 1.3450845322601135
Energy: 1.4149248700963477
Energy: 1.3304637462994386
Energy: 1.3441922119158927
Energy: 1.3444589196037524
Energy: 1.298714016379763
Energy: 1.3475064237248455
Energy: 1.4468921496697387
Energy: 1.3679043713850805
Energy: 1.3023551395297672
Energy: 1.2031193785744685
Energy: 1.2043231822475955
Energy: 1.2025882435917112
Energy: 1.3133260906918456
Energy: 1.1639017428536242
Energy: 1.2486986475858528
Energy: 1.2422426272541782
Energy: 1.2026986011679137
Energy: 1.2475252209753185
Energy: 1.3352688652186437

minimum gb energy = 1.1639017428536242 eV
minimum distance =  2.19995818297285 Angstroms
sigma value = 51


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

Energy: 2.1651036180711225
Energy: 1.2759688785808978
Energy: 1.4220518056889202
Energy: 1.3145351628505355
Energy: 1.3453398059093697
Energy: 1.3593312034486817
Energy: 1.3376313822449502
Energy: 1.3810857836856216
Energy: 1.290731589881042
Energy: 1.3637224516354698
Energy: 1.280169073483531
Energy: 1.2763915918949869
Energy: 1.319162394753841
Energy: 1.2799319220923073
Energy: 1.2735263985442324
Energy: 1.3088866464781492
Energy: 1.295777310620209
Energy: 1.2819134493838618
Energy: 1.3277746369685315
Energy: 1.273652351902596
Energy: 1.2725377198090577
Energy: 1.307453568881586
Energy: 1.2754869686765944
Energy: 1.2795042791749236
Energy: 1.332623944971608
Energy: 1.2827957246679702
Energy: 1.304577810471426
Energy: 1.310109886798677
Energy: 1.4183609145556189
Energy: 1.2860580498096976
Energy: 1.3355858303974353
Energy: 1.3706504627350302
Energy: 1.3724016758024244
Energy: 1.3594576558951157
Energy: 1.3704300263524702
Energy: 1.3699573798676918
Energy: 1.3955497982791698
Energy: 1.3714819143102441
Energy: 1.3702318627743366
Energy: 1.4472882110161935
Energy: 1.3720749431230412
Energy: 1.3697715334795744
Energy: 1.434959235137025
Energy: 1.4330446641572199
Energy: 1.3751418569365677
Energy: 1.327229514645761
Energy: 1.3700675275467766
Energy: 1.2848028652758714
Energy: 1.1851158307673244
Energy: 1.2796760699351746
Energy: 1.2764304391459245
Energy: 1.3096196970670984
Energy: 1.3049040731705048
Energy: 1.3467880099976308
Energy: 1.158270190323329
Energy: 1.278284814397425
Energy: 1.3733607326757575
Energy: 1.354285544570034
Energy: 1.2835788176922558
Energy: 1.3470825074791901
Energy: 1.3367483447925792
Energy: 1.3096406925738775
Energy: 1.3035392574067504
Energy: 1.3338137891305297
Energy: 1.3079077934619934
Energy: 1.2918145424437562
Energy: 1.3490220640168424
Energy: 1.277512894407833
Energy: 1.2811860933575443
Energy: 1.3711339919371308
Energy: 1.2801897704488157
Energy: 1.2785466091475548
Energy: 1.3407907694892482
Energy: 1.2794220101332041
Energy: 1.2863870545717266
Energy: 1.3716516422730471
Energy: 1.2846259892155396
Energy: 1.2789476832165547
Energy: 1.3095026917975139
Energy: 1.283786204008742
Energy: 1.3087499372781262
Energy: 1.4355661121248053
Energy: 1.305878289743676
Energy: 1.389006027612326
Energy: 1.382232012054003
Energy: 1.3710965802189097
Energy: 1.3722493319283626
Energy: 1.5041956859114447
Energy: 1.3704766031879245
Energy: 1.3708023727336498
Energy: 1.3251907145575366
Energy: 1.3703587269556408
Energy: 1.3697215164663912
Energy: 1.4477426336554884
Energy: 1.3731989894202494
Energy: 1.3701198988289598
Energy: 1.3185035287164446
Energy: 1.304159324310192
Energy: 1.3781309419296428
Energy: 1.3093933549296983
Energy: 1.3070409866094257
Energy: 1.3068939793207175
Energy: 1.1578705986505078
Energy: 1.271913311999438
Energy: 1.278066358912166
Energy: 1.3095926130718247
Energy: 1.2724382301963078
Energy: 1.344705500980376

minimum gb energy = 1.1578705986505078 eV
minimum distance =  2.20378169132966 Angstroms
sigma value = 19


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

Energy: 2.0025732669186636
Energy: 1.3037285408042616
Energy: 1.4297015541073317
Energy: 1.300097224438204
Energy: 1.3954228115450469
Energy: 1.3861228587574677
Energy: 1.3653809535822496
Energy: 1.5437349686965018
Energy: 1.3019087175039339
Energy: 1.3408900799804007
Energy: 1.3613050332189482
Energy: 1.4775556668952046
Energy: 1.4418800434637287
Energy: 1.4132020234739
Energy: 1.4649055779618203
Energy: 1.4143801036101205
Energy: 1.4132584518087388
Energy: 1.4915199736263491
Energy: 1.472942481921218
Energy: 1.416883226947757
Energy: 1.4142951639355317
Energy: 1.4501352615007985
Energy: 1.4135699643545536
Energy: 1.500347405693654
Energy: 1.491188063817651
Energy: 1.4293570433427125
Energy: 1.4819812101984988
Energy: 1.337894261813248
Energy: 1.5192290080104562
Energy: 1.530751476517535
Energy: 1.480332197143152
Energy: 1.4491546404017035
Energy: 1.4895596506604871
Energy: 1.2792924170153053
Energy: 1.4648019986198049
Energy: 1.4811822803833044
Energy: 1.5190725882480463
Energy: 1.439183658928297
Energy: 1.47056886083636
Energy: 1.4571436762953764
Energy: 1.4167705151985686
Energy: 1.524807004855628
Energy: 1.3648971325438692
Energy: 1.4150298431617505
Energy: 1.47816490550713
Energy: 1.3379025157749052
Energy: 1.4647078004328873
Energy: 1.4506627251549464
Energy: 1.3340503484819772
Energy: 1.3658520082572663
Energy: 1.2979107559858123
Energy: 1.3373072602315121
Energy: 1.306853671676657
Energy: 1.4769538662359725
Energy: 1.335068230918916
Energy: 1.3094077706581444
Energy: 1.2969469517892416
Energy: 1.3004477881865695
Energy: 1.2968992425032464
Energy: 1.4179320516326497
Energy: 1.3658098100757985
Energy: 1.4697376167601361
Energy: 1.3615465327733247
Energy: 1.3420644505824126
Energy: 1.3618445165241986
Energy: 1.4411543173583485
Energy: 1.443002549924842
Energy: 1.503094325972712
Energy: 1.4649163909001233
Energy: 1.484185838523019
Energy: 1.4594503670524264
Energy: 1.475431188407447
Energy: 1.5604610455777648
Energy: 1.4667025441594872
Energy: 1.4930780679968518
Energy: 1.4808291674507523
Energy: 1.4732563351614263
Energy: 1.5278978231317133
Energy: 1.3643950504267914
Energy: 1.4704699102978138
Energy: 1.4697726290346975
Energy: 1.3655077235875195
Energy: 1.469558462007392
Energy: 1.4835062266139236
Energy: 1.298858166218462
Energy: 1.319294631475413
Energy: 1.4339417870824491
Energy: 1.4447252385627842
Energy: 1.366108712040574
Energy: 1.350073495186806
Energy: 1.3403267692278469
Energy: 1.2961348830428416
Energy: 1.360223794014907
Energy: 1.3289106103243908
Energy: 1.2955960773395605
Energy: 1.3440958025677525
Energy: 1.2787928514071087
Energy: 1.3630496813689454
Energy: 1.4690150894977525
Energy: 1.365334650865024
Energy: 1.4693619805578102
Energy: 1.3001144240862734
Energy: 1.4846724418669166
Energy: 1.4191110068526311
Energy: 1.4910943841685538
Energy: 1.5073976878811057
Energy: 1.4160082654768944
Energy: 1.4132123085848913
Energy: 1.4490818245517294
Energy: 1.4135281958440118
Energy: 1.4127865792281382
Energy: 1.469634783664756
Energy: 1.4151577231402181
Energy: 1.4651011391041737
Energy: 1.3371312767209407
Energy: 1.471083065244125
Energy: 1.432954152673004
Energy: 1.4718014623743596
Energy: 1.470644677071034
Energy: 1.3774357727217568
Energy: 1.3309154403629844
Energy: 1.4135981021828499
Energy: 1.449635750309938
Energy: 1.4699956845404198
Energy: 1.4130771253269467
Energy: 1.489295504531686
Energy: 1.2145275478204522
Energy: 1.4134934732194175
Energy: 1.4385616922549482
Energy: 1.529381417270556
Energy: 1.4427418545912656
Energy: 1.4572538860159165
Energy: 1.344168032764588
Energy: 1.3625780166304453
Energy: 1.5089596483784014
Energy: 1.3644405464160538
Energy: 1.4653009973726308
Energy: 1.367437494335171
Energy: 1.3406550351536397
Energy: 1.2971710312150364
Energy: 1.4170095057660086
Energy: 1.3322470828719322
Energy: 1.3045562678328733
Energy: 1.340281344248916
Energy: 1.299342352489556
Energy: 1.2957595619337217
Energy: 1.302451794371053
Energy: 1.3323458454740476
Energy: 1.3015974840062898
Energy: 1.2999717550071792
Energy: 1.3007812133978922
Energy: 1.4894246580423507
Energy: 1.5048925620491795
Energy: 1.3639344581219432
Energy: 1.465380015753667
Energy: 1.3685584827462853
Energy: 1.4774067330182232
Energy: 1.4610220465948154
Energy: 1.4888422717244114
Energy: 1.480792510333658
Energy: 1.4886252099219013
Energy: 1.4651335544982274
Energy: 1.441249072033298
Energy: 1.459124693791206
Energy: 1.470365587422708
Energy: 1.561710161481414
Energy: 1.453022078665482
Energy: 1.4910335248011648
Energy: 1.364204784206662
Energy: 1.4691202226369893
Energy: 1.4048085708910256
Energy: 1.3020220490589747
Energy: 1.4810983037229384
Energy: 1.4127697976450473
Energy: 1.211772251996455
Energy: 1.3010713748842022
Energy: 1.308219129472516
Energy: 1.2994547668376204
Energy: 1.2980177307389074
Energy: 1.3589077027694372

minimum gb energy = 1.211772251996455 eV
minimum distance =  2.18554202188892 Angstroms
sigma value = 27


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

Energy: 1.637927796973733
Energy: 1.3099116393349624
Energy: 1.4930968105188707
Energy: 1.2249541319569892
Energy: 1.4323231503784013
Energy: 1.5458606080607689
Energy: 1.188701969302459
Energy: 1.4512550791678676
Energy: 1.364192604039054
Energy: 1.1889454510734296
Energy: 1.3114898696669297
Energy: 1.4514175585074558
Energy: 1.1903467208012266
Energy: 1.3336282813687341
Energy: 1.356659826967767
Energy: 1.184493502674374
Energy: 1.3155135480704914
Energy: 1.36436705276378
Energy: 1.3177516387617922
Energy: 1.312448398096139
Energy: 1.3162416988400367
Energy: 1.3707517766752755
Energy: 1.314956273269822
Energy: 1.3093526147157024
Energy: 1.18748462254215
Energy: 1.3056830868525875
Energy: 1.4826353560197043
Energy: 1.1871113866975187
Energy: 1.3737153679192473
Energy: 1.3067881929246423
Energy: 1.2232408748125077
Energy: 1.3131435378993466
Energy: 1.4507623127358626
Energy: 1.1892957305225675
Energy: 1.378730554599507
Energy: 1.373836433480704
Energy: 1.2268897313573988
Energy: 1.3108784599355368
Energy: 1.3578289290644847
Energy: 1.6357143531772438
Energy: 1.3101274197306734
Energy: 1.4910548017285141
Energy: 1.18788288708765
Energy: 1.3643791404427292
Energy: 1.453479049888016
Energy: 1.1889115738852347
Energy: 1.380698878840858
Energy: 1.3654159669498136
Energy: 1.1881374773134405
Energy: 1.314813410723646
Energy: 1.3318290247710065
Energy: 1.1891822618482013
Energy: 1.3169202842439833
Energy: 1.3795601976758287
Energy: 1.3360901660770306
Energy: 1.3145514572739863
Energy: 1.3109791981688337
Energy: 1.371232580910018
Energy: 1.3146343391118789
Energy: 1.3134350125335164
Energy: 1.1879303144061533
Energy: 1.3793525096675063
Energy: 1.3062364348483297
Energy: 1.18766008312357
Energy: 1.449241782170999
Energy: 1.5419472547006796
Energy: 1.1892027358830235
Energy: 1.3827317675659914
Energy: 1.3079831709037566
Energy: 1.2199801042377285
Energy: 1.31013771272384
Energy: 1.4512449554829814

minimum gb energy = 1.184493502674374 eV
minimum distance =  2.22897399080492 Angstroms
sigma value = 9


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

Energy: 1.3519769581584964
Energy: 1.2981549487465
Energy: 1.2580634532705102
Energy: 1.3831512085095374
Energy: 1.300829098299679
Energy: 1.4434733989250665
Energy: 1.3792635373641813
Energy: 1.5051550033897418
Energy: 1.2968945023368004
Energy: 1.297646524517766
Energy: 1.2974405350850187
Energy: 1.3703638457826406
Energy: 1.4207753696317682
Energy: 1.486238399333233
Energy: 1.4835283138782729
Energy: 1.3002934204182073
Energy: 1.4931828992895608
Energy: 1.5440484626210098
Energy: 1.2210532669610794
Energy: 1.4855642848236343
Energy: 1.4849871212311578
Energy: 1.3031168797986123
Energy: 1.4804928207215113
Energy: 1.484195317818713
Energy: 1.343142203431686
Energy: 1.4840489131647132
Energy: 1.4839885793817293
Energy: 1.4180774426955034
Energy: 1.4842695571546314
Energy: 1.510130924297274
Energy: 1.341425392196947
Energy: 1.2964511860784638
Energy: 1.533675045907251
Energy: 1.3736046120119985
Energy: 1.299585976759727
Energy: 1.2975889365799254
Energy: 1.2730632502345662
Energy: 1.2993139431526732
Energy: 1.397385585231817
Energy: 1.4490042233132308
Energy: 1.2983478348266937
Energy: 1.2716395434185046
Energy: 1.2540048198460134
Energy: 1.2965430277704248
Energy: 1.5345983012207125
Energy: 1.3738432400460896
Energy: 1.3001329907432047
Energy: 1.2587959428655437
Energy: 1.2734083446627718
Energy: 1.463408084682165
Energy: 1.520633575937828
Energy: 1.3710692513580494
Energy: 1.451890972546254
Energy: 1.4956452836798966
Energy: 1.274602323875514
Energy: 1.4642908037582267
Energy: 1.4493720689593839
Energy: 1.3619561867437855
Energy: 1.4527995876974136
Energy: 1.4721519466672568
Energy: 1.3742694239429631
Energy: 1.4857670925814725
Energy: 1.44953256731601
Energy: 1.3628691361320964
Energy: 1.4501201104562518
Energy: 1.476478836098702
Energy: 1.3749774541872535
Energy: 1.5426055798031706
Energy: 1.3993575996233723
Energy: 1.3712915161243626
Energy: 1.3992053865887404
Energy: 1.3729290876956206
Energy: 1.3393923018886456
Energy: 1.3995877530059182
Energy: 1.39001348721937
Energy: 1.3257927095587125
Energy: 1.400939565301295
Energy: 1.4888774563806275
Energy: 1.3775909164304059
Energy: 1.3967062334324485
Energy: 1.3721026081564207
Energy: 1.3543326418489172
Energy: 1.3989653217893094
Energy: 1.4643614654207808
Energy: 1.3787662430103556
Energy: 1.5732778331619635
Energy: 1.384236879329799
Energy: 1.3267201613543114
Energy: 1.400021523330967
Energy: 1.4948602290986102
Energy: 1.458618681797763
Energy: 1.3955603823650833
Energy: 1.4072658929584243
Energy: 1.3550608629919958
Energy: 1.3983989111664934
Energy: 1.4258343231046886
Energy: 1.3762276119096266
Energy: 1.4013169966151924
Energy: 1.398284834699819
Energy: 1.3690997575196828
Energy: 1.3977065109556317
Energy: 1.4243638642323195
Energy: 1.3737256011533743
Energy: 1.453872170575762
Energy: 1.5188180184432505
Energy: 1.3725074003026958
Energy: 1.4493045575999286
Energy: 1.2994331170558295
Energy: 1.2719147565068785
Energy: 1.473061902205609
Energy: 1.4901707497645371
Energy: 1.3943919876008628
Energy: 1.4603775944097073
Energy: 1.5023014059645328
Energy: 1.2742071772149097
Energy: 1.4580264350653216
Energy: 1.5202437767442363
Energy: 1.3705465012561522
Energy: 1.449191535223958
Energy: 1.4862800958453277
Energy: 1.2715688132767065
Energy: 1.2612222743405612
Energy: 1.5401055939570594
Energy: 1.3689473840143056
Energy: 1.5187291449356768
Energy: 1.2583233402783447
Energy: 1.2568782710896513
Energy: 1.2963976807789912
Energy: 1.3655933418493742
Energy: 1.3689131749794292
Energy: 1.2968056129793235
Energy: 1.2585433716889136
Energy: 1.3418658903436045
Energy: 1.2955518625514846
Energy: 1.4499236486249556
Energy: 1.366708703696976
Energy: 1.2948754205035962
Energy: 1.294645765524017
Energy: 1.343425149926694
Energy: 1.4888157510308404
Energy: 1.5203907045804965
Energy: 1.3693012669100797
Energy: 1.5007448533289898
Energy: 1.2967646219705795
Energy: 1.3432655168746173
Energy: 1.5043239361443976
Energy: 1.4875361253617663
Energy: 1.2963067422818082
Energy: 1.4845780864345033
Energy: 1.5364767443956628
Energy: 1.343875240683063
Energy: 1.4839478757504074
Energy: 1.4852950219776726
Energy: 1.2230417458123362
Energy: 1.4844193386996039
Energy: 1.4838832651300962
Energy: 1.421023914633507
Energy: 1.475575917990988
Energy: 1.2956326957985496
Energy: 1.2965890086793683
Energy: 1.2954928097131986
Energy: 1.372101277609576
Energy: 1.4209994768018868
Energy: 1.2956374190927804
Energy: 1.29648721699965
Energy: 1.3346316229885196
Energy: 1.2984479765973382
Energy: 1.3972966314628301
Energy: 1.3713986792997879
Energy: 1.2980120140572093
Energy: 1.2949206449854374
Energy: 1.2575210249681135
Energy: 1.2962815420740157
Energy: 1.396637192970282
Energy: 1.419261096528778
Energy: 1.523068468242234
Energy: 1.3631429689349712
Energy: 1.2721095703852157
Energy: 1.4929277483095063
Energy: 1.6129420114997841
Energy: 1.4631171998808001
Energy: 1.449796311385583
Energy: 1.4715362546216735
Energy: 1.2726426169154184
Energy: 1.4495607042947145
Energy: 1.450735472921784
Energy: 1.4606323502651257
Energy: 1.4585697705397678
Energy: 1.5081685006429133
Energy: 1.2768410910171222
Energy: 1.4641635548968566
Energy: 1.4720867131995565
Energy: 1.4254730781920981
Energy: 1.3967535160919882
Energy: 1.4120235310591527
Energy: 1.371440245927815
Energy: 1.4558060435920936
Energy: 1.369180136362432
Energy: 1.3758174846304863
Energy: 1.3987197114390502
Energy: 1.3966931532036686
Energy: 1.3682429849769602
Energy: 1.3995790969072506
Energy: 1.4654743611678116
Energy: 1.35778982219948
Energy: 1.3971578846422392
Energy: 1.3959865990276945
Energy: 1.3678737327574775
Energy: 1.3960429173800488
Energy: 1.3762141959410903
Energy: 1.3226188041971267
Energy: 1.47060569952932
Energy: 1.57290480599677
Energy: 1.3711646167196967
Energy: 1.5640195750747747
Energy: 1.3969730912046254
Energy: 1.3591444210108332
Energy: 1.3959329079439302
Energy: 1.3974612925692362
Energy: 1.3704731718577667
Energy: 1.3983982482952393
Energy: 1.4062060723294276
Energy: 1.3371143722335728
Energy: 1.422694994983944
Energy: 1.424542278014615
Energy: 1.3604247584747657
Energy: 1.3975355373823817
Energy: 1.48252025022735
Energy: 1.419769071904581
Energy: 1.3960977818722875
Energy: 1.4400450109368788
Energy: 1.3729165698622663
Energy: 1.449701055046472
Energy: 1.3715166869652122
Energy: 1.340026455634713
Energy: 1.4556841211666727
Energy: 1.5131109917389807
Energy: 1.299680651850344
Energy: 1.46509322454316
Energy: 1.4496261183452464
Energy: 1.4243519839295078
Energy: 1.4506034220307358
Energy: 1.4865892141245565
Energy: 1.3382922392072614
Energy: 1.4485695722748855
Energy: 1.449383188918426
Energy: 1.4181574410637168
Energy: 1.5218768227972648
Energy: 1.4939021607773764
Energy: 1.2743207768816038
Energy: 1.4843310173585957
Energy: 1.5450788352985336
Energy: 1.378837684998443
Energy: 1.2961586437057608
Energy: 1.2950366044667971
Energy: 1.256410873780368
Energy: 1.2954533505913506
Energy: 1.5913147753098666

minimum gb energy = 1.2210532669610794 eV
minimum distance =  2.21087654915803 Angstroms
sigma value = 57


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

Energy: 2.363089548891181
Energy: 1.285213703447377
Energy: 1.1537091720827277
Energy: 1.1544718657361555
Energy: 1.4233374268462002
Energy: 1.4162327959043688
Energy: 1.4316020446814912
Energy: 1.4312550755906959
Energy: 1.2759254911134783
Energy: 1.1225713691027135
Energy: 1.2769768986369119
Energy: 1.3984669811118806
Energy: 1.1254918210887943
Energy: 1.3207475976939689
Energy: 1.4100115594519937
Energy: 1.1237655379174865
Energy: 1.4096996623514042
Energy: 1.276953076259443
Energy: 1.1290699968685067
Energy: 1.4093113156540997
Energy: 1.409840232324132
Energy: 1.328787587989027
Energy: 1.4097353509296422
Energy: 1.118088413816261
Energy: 1.1190253483863188
Energy: 1.328821291361609
Energy: 1.414990225064684
Energy: 1.1228067427740327
Energy: 1.4090917543089179
Energy: 1.3290413549041877
Energy: 1.1204588140201048
Energy: 1.2779316367483853
Energy: 1.4166251944065071
Energy: 1.1330899771826306
Energy: 1.2775842650926839
Energy: 1.2749647450506203
Energy: 1.1498671248459587
Energy: 1.3034039178630255
Energy: 1.2823349208845676
Energy: 1.270629432776157
Energy: 1.3015087287644995
Energy: 1.15157004603036
Energy: 1.1555353324786373
Energy: 1.2754549410227118
Energy: 1.4319610323414076
Energy: 1.278589513202517
Energy: 1.276375206756314
Energy: 1.2740039399755938
Energy: 1.151155202435829
Energy: 1.1526196698719986
Energy: 1.4309341681102132
Energy: 1.124150249229854
Energy: 1.4174607055646304
Energy: 1.1514583239697835
Energy: 1.1518474780085253
Energy: 1.279616939172101
Energy: 1.3931327825922653
Energy: 1.3934450372706044
Energy: 1.2774799825209466
Energy: 1.151932730972929
Energy: 1.1248011389822041
Energy: 1.1269544718086701
Energy: 1.4258111058087921
Energy: 1.1187176144930928
Energy: 1.2749736685031794
Energy: 1.1267424798789354
Energy: 1.1336479242658841
Energy: 1.4300846234238427
Energy: 1.320268235245431
Energy: 1.1250639761648276
Energy: 1.4103900885376341
Energy: 1.2790651568969056
Energy: 1.129126680843111
Energy: 1.4102955171903921
Energy: 1.3294658882738795
Energy: 1.280017997042616
Energy: 1.4303995114728267
Energy: 1.4100257608074696
Energy: 1.1334981019171755
Energy: 1.4321754280235108
Energy: 1.3298336628738772
Energy: 1.1233467683593332
Energy: 1.4096685486154428
Energy: 1.327546012011554
Energy: 1.1272511253680695
Energy: 1.4107657319141018
Energy: 1.2786479470788894
Energy: 1.1302599128944568
Energy: 1.2807272648735772
Energy: 1.2855878614972926
Energy: 1.4006431335572083
Energy: 1.2787311004173625
Energy: 1.2797013508051416
Energy: 1.1333351376811365
Energy: 1.279981708669863
Energy: 1.3224406584919148
Energy: 1.3994536995299607
Energy: 1.2757875283619535
Energy: 1.2755029574321444
Energy: 1.152669574713535
Energy: 1.2755640279454044
Energy: 1.2786185306706384
Energy: 1.4083425978315998
Energy: 1.416427664609736
Energy: 1.1516580251676072
Energy: 1.1495453848256123
Energy: 1.2865632614997222
Energy: 1.3970656430538935
Energy: 1.4110683203177838
Energy: 1.2765137698711915
Energy: 1.2744132517154987
Energy: 1.151109509954269
Energy: 1.2749087312313228
Energy: 1.4179922415640278

minimum gb energy = 1.118088413816261 eV
minimum distance =  2.18405145252761 Angstroms
sigma value = 11


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

Energy: 1.8060544188491332
Energy: 1.182490253896171
Energy: 1.0744999535503263
Energy: 1.1825381730723312
Energy: 1.1850341774691608
Energy: 1.2972954923130144
Energy: 1.7238470201947562
Energy: 1.3229862948233053
Energy: 1.2366234171297539
Energy: 1.234326842040176
Energy: 1.1840193427014833
Energy: 1.3532845187253644
Energy: 1.4583900473508615
Energy: 1.3201899123951988
Energy: 1.323927925260838
Energy: 1.2378003226551184
Energy: 1.320431813443823
Energy: 1.3503822770901155
Energy: 1.5299930772202677
Energy: 1.3207041029412816
Energy: 1.3231965276944542
Energy: 1.2379389888018508
Energy: 1.3200172993031976
Energy: 1.3446425958300352
Energy: 1.5205709625697084
Energy: 1.3204725507260524
Energy: 1.3211468272374165
Energy: 1.346231497968781
Energy: 1.3197027905481855
Energy: 1.3465661851656645
Energy: 1.4611999578144315
Energy: 1.3239409291865816
Energy: 1.3215617920709781
Energy: 1.3464048528567965
Energy: 1.3213722857928105
Energy: 1.3851992398002706
Energy: 1.2589561702601693
Energy: 1.234805398709558
Energy: 1.3223313523036606
Energy: 1.2320401544209307
Energy: 1.321968293834463
Energy: 1.2331270113352295
Energy: 1.0635756911277474
Energy: 1.3218999577700181
Energy: 1.3211963238209652
Energy: 1.3211159760251883
Energy: 1.3258864510299795
Energy: 1.237056833162097
Energy: 1.2732920447195013
Energy: 1.1849749858424752
Energy: 1.3514596287810903
Energy: 1.3927243372862674
Energy: 1.321733444807086
Energy: 1.1888040487351301
Energy: 1.2550086824350677
Energy: 1.1809253821127925
Energy: 1.1808397097452632
Energy: 1.3219931561957436
Energy: 1.1830274275034784
Energy: 1.1843066559077968
Energy: 1.0742267526310367
Energy: 1.1789581730525331
Energy: 1.1791970859488001
Energy: 1.3243585526124548
Energy: 1.17963900711128
Energy: 1.1792404103168077
Energy: 1.0688802432236189
Energy: 1.1817213061023144
Energy: 1.3510022348781305
Energy: 1.3501426897988553
Energy: 1.2921096928899312
Energy: 1.0751163504004193
Energy: 1.0762623691314632
Energy: 1.1772729942202986
Energy: 1.326039403152086
Energy: 1.386334088015542
Energy: 1.1823080776476391
Energy: 1.073587914526041
Energy: 1.0657041896235284
Energy: 1.2354108194240065
Energy: 1.283920942654603
Energy: 1.3451588039463032
Energy: 1.1843351111870362
Energy: 1.2348226607852861
Energy: 1.258300756757619
Energy: 1.180745128946874
Energy: 1.3501871995571977
Energy: 1.322246587511358
Energy: 1.3219319283452455
Energy: 1.2396888229304954
Energy: 1.2619190213276934
Energy: 1.3203428804387107
Energy: 1.3252145301884521
Energy: 1.3863124592729932
Energy: 1.3217954478866647
Energy: 1.3212788045231414
Energy: 1.266389026279548
Energy: 1.3242633299406086
Energy: 1.3452928063271603
Energy: 1.3448170141102498
Energy: 1.320388711951017
Energy: 1.2343035097316222
Energy: 1.450919482118665
Energy: 1.3215313821451076
Energy: 1.3705732424764197
Energy: 1.427393554207396
Energy: 1.3207156701581277
Energy: 1.322057210217141
Energy: 1.7323156824163757
Energy: 1.320354248240968
Energy: 1.3848950033140242
Energy: 1.3464220345581501
Energy: 1.3211512619338504
Energy: 1.3673892290866736
Energy: 1.2617471762805463
Energy: 1.3208107799914997
Energy: 1.2348391772888587
Energy: 1.189523088446865
Energy: 1.322733133843841
Energy: 1.321795655657497
Energy: 1.7223115974193277
Energy: 1.3202796542849007
Energy: 1.2370929762991585
Energy: 1.0658685065321898
Energy: 1.3198271883966544
Energy: 1.3175009450936321
Energy: 1.4691473915270479
Energy: 1.3226031303109071
Energy: 1.1827692690975646
Energy: 1.2429131296999476
Energy: 1.182863956410019
Energy: 1.350519559765492
Energy: 1.7578144316157662
Energy: 1.1810782777248197
Energy: 1.1822309771060437
Energy: 1.0671082108371774
Energy: 1.1832707666813644
Energy: 1.3200313066990281
Energy: 1.7568284917328842
Energy: 1.178549024222043
Energy: 1.179496505948529
Energy: 1.0766921692729505
Energy: 1.1779150007263746
Energy: 1.3261699402436546
Energy: 1.4474448837151401
Energy: 1.2940117347024496
Energy: 1.0732873125127786
Energy: 1.0703868279281907
Energy: 1.1841457500302028
Energy: 1.3496576599766619
Energy: 1.9947425952939049
Energy: 1.179197043884447
Energy: 1.0715041595843027
Energy: 1.074145841070058
Energy: 1.1798191267836091
Energy: 1.2845947611714643

minimum gb energy = 1.0635756911277474 eV
minimum distance =  2.16794883359349 Angstroms
sigma value = 41


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

Energy: 1.874693205569069
Energy: 1.0861235189882659
Energy: 0.9968137619600125
Energy: 0.9954739862228211
Energy: 1.0853801389677888
Energy: 1.244271112259075
Energy: 1.7217440101333157
Energy: 1.20410455602701
Energy: 1.1257966520432257
Energy: 1.122864098582542
Energy: 1.0887305859176695
Energy: 1.2351053353661994
Energy: 1.7172663254775664
Energy: 1.2487656334716086
Energy: 1.2043188170123906
Energy: 1.1516105761235613
Energy: 1.2040638547822422
Energy: 1.2827767089690425
Energy: 1.7220866655461482
Energy: 1.2035489443567922
Energy: 1.2045165585072997
Energy: 1.1533925352602095
Energy: 1.2034737771775375
Energy: 1.2311577474350084
Energy: 1.728811364150331
Energy: 1.2031182089262484
Energy: 1.204024360436688
Energy: 1.2475795049630634
Energy: 1.2032585795929336
Energy: 1.2296883444702587
Energy: 1.713596611033399
Energy: 1.2388241632589627
Energy: 1.2594384181932914
Energy: 1.276385742274349
Energy: 1.23880195242607
Energy: 1.2393207002193176
Energy: 1.496752866771253
Energy: 1.2391953507778681
Energy: 1.238677526025836
Energy: 1.2392545925373646
Energy: 1.2384140479524317
Energy: 1.2389135571941225
Energy: 1.2814606540327904
Energy: 1.2391666082467039
Energy: 1.2388859111142614
Energy: 1.2043204090579684
Energy: 1.2516535705090475
Energy: 1.2293610876590302
Energy: 1.494344069456375
Energy: 1.2594607846662482
Energy: 1.2398324798943297
Energy: 1.2392841271414101
Energy: 1.2390651555077026
Energy: 1.204205796826139
Energy: 1.4945250684106401
Energy: 1.2459509659108698
Energy: 1.203461139162608
Energy: 1.237757436531223
Energy: 1.2044570146614462
Energy: 1.2472842955840562
Energy: 1.140489236203289
Energy: 1.2041227438359725
Energy: 1.2039222822142759
Energy: 1.2780105539256077
Energy: 1.2036226530270353
Energy: 1.1361006015413426
Energy: 1.1448138735569053
Energy: 1.1356226751502057
Energy: 1.2346274174777718
Energy: 1.2386032099518194
Energy: 1.2040293130973876
Energy: 1.1349765415842983
Energy: 1.1325602064467861
Energy: 1.0832965238835899
Energy: 1.2043226482302531
Energy: 1.2376214559227585
Energy: 1.0884741643454945
Energy: 1.0828048050304744
Energy: 0.9931989586804719
Energy: 1.0855092398161208
Energy: 1.2027922507749844
Energy: 1.2046481465222523
Energy: 1.0843982395806544
Energy: 0.9944286538001437
Energy: 0.9944820057138573
Energy: 1.0831358238679594
Energy: 1.23502105056649
Energy: 1.235763189089383
Energy: 1.1905606881698465
Energy: 1.0827072472325392
Energy: 0.9975314453754099
Energy: 1.0843808248037345
Energy: 1.213091586778557
Energy: 1.2344138251939836
Energy: 1.190401054263618
Energy: 0.995195971539064
Energy: 0.9933554048419705
Energy: 0.9948227909431042
Energy: 1.1662011115930446
Energy: 1.2307077456121513
Energy: 1.08452447450932
Energy: 0.995274229851024
Energy: 1.1316843836026078
Energy: 1.118697076461921
Energy: 1.212344635216518
Energy: 1.2297966726299678
Energy: 1.0877657783611523
Energy: 1.1179186404763604
Energy: 1.1408699452519335
Energy: 1.2042316769415184
Energy: 1.234534647951541
Energy: 1.2384760839136417
Energy: 1.2043291326881171
Energy: 1.149174380000011
Energy: 1.1440278326806914
Energy: 1.2041665163515705
Energy: 1.2035609477468099
Energy: 1.2304465970331893
Energy: 1.2042643564808615
Energy: 1.2044514182778927
Energy: 1.491279277438745
Energy: 1.2057709615569363
Energy: 1.2303194459495743
Energy: 1.2301914006570753
Energy: 1.2034339228097348
Energy: 1.203831787367825
Energy: 1.5055961740013826
Energy: 1.2045619858980718
Energy: 1.2407341841255979
Energy: 1.2342373985621589
Energy: 1.238864109722293
Energy: 1.2042465397839524
Energy: 1.504106967688889
Energy: 1.238492696283886
Energy: 1.2511297561793404
Energy: 1.204170104205818
Energy: 1.2509330286358815
Energy: 1.238385586185883
Energy: 1.512618811097178
Energy: 1.2388560233819723
Energy: 1.2384808954022657
Energy: 1.2835267328818871
Energy: 1.2389810656450526
Energy: 1.2388541243520936
Energy: 1.7174338483069131
Energy: 1.238798611226389
Energy: 1.2398026885969924
Energy: 1.2463673190266882
Energy: 1.2388526553135089
Energy: 1.2388500787346726
Energy: 1.4952483572276503
Energy: 1.204400684256607
Energy: 1.2459962756526388
Energy: 1.246358571137914
Energy: 1.2035694615281212
Energy: 1.2037840192247184
Energy: 1.4860244508126776
Energy: 1.2045598395961479
Energy: 1.1361311338269342
Energy: 1.1493300875139734
Energy: 1.2038672504766352
Energy: 1.20376536210526
Energy: 1.7196328471181126
Energy: 1.212629143251707
Energy: 1.135839989356803
Energy: 1.1600238007516828
Energy: 1.2033531358170382
Energy: 1.2383723111813278
Energy: 1.7226073626938474
Energy: 1.2059829166210003
Energy: 1.0881159190984826
Energy: 1.1250841324219474
Energy: 1.0889787057279379
Energy: 1.2358416540071828
Energy: 1.6978510907013125
Energy: 1.0852478922570665
Energy: 1.0870563581298456
Energy: 0.9916524409765819
Energy: 1.0849805357989362
Energy: 1.2031150477591215
Energy: 1.7192704114536983
Energy: 1.0890181668580219
Energy: 1.0858197044918907
Energy: 0.9954218382988561
Energy: 1.0881376005263599
Energy: 1.2353699976307537
Energy: 1.7189590571830415
Energy: 1.192464106683354
Energy: 0.9945169369195795
Energy: 0.9945412025104264
Energy: 1.1741725453711664
Energy: 1.2342590909327136
Energy: 1.7146752297768915
Energy: 1.0839479724946703
Energy: 0.9951874855895638
Energy: 0.9949840986883404
Energy: 1.084153840622398
Energy: 1.1660280741923978

minimum gb energy = 0.9916524409765819 eV
minimum distance =  2.16738678234794 Angstroms
sigma value = 33


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

Energy: 1.940607296940389
Energy: 0.954624646887655
Energy: 0.8917070341640752
Energy: 1.0259952406385777
Energy: 0.8911215273777837
Energy: 1.0762650791126518
Energy: 2.0144273185288
Energy: 1.069084495543545
Energy: 0.9600069872758127
Energy: 0.9772444443443643
Energy: 0.960073032677283
Energy: 1.0698695986918323
Energy: 2.0307469243517327
Energy: 1.0681427558342642
Energy: 1.0583472643692273
Energy: 0.9961543628506103
Energy: 1.0432245510509974
Energy: 1.0839037895620602
Energy: 1.7062117023822045
Energy: 1.0434661768964015
Energy: 0.9852481828245643
Energy: 0.9923823273118467
Energy: 1.042921814652872
Energy: 1.0669184702097194
Energy: 1.706863923614039
Energy: 1.041484543375698
Energy: 1.0658664473935286
Energy: 1.0658183987262753
Energy: 1.0434009748109498
Energy: 1.0683793964515678
Energy: 2.020914351155451
Energy: 1.0826277497377095
Energy: 1.0841939510980267
Energy: 1.130312508352336
Energy: 1.0866687174880316
Energy: 1.0840898007303592
Energy: 1.8434876251020853
Energy: 1.1123005525215064
Energy: 1.0840029389180013
Energy: 1.0958865417173325
Energy: 1.0829284479681138
Energy: 1.1102012456451145
Energy: 1.3819409647155474
Energy: 1.082418724479761
Energy: 1.093036885812352
Energy: 1.0681993592978758
Energy: 1.0819467854703075
Energy: 1.093477753886409
Energy: 1.861253330872955
Energy: 1.097452941050173
Energy: 1.082552477019488
Energy: 1.083152651363428
Energy: 1.1136928497794583
Energy: 1.1007553091369044
Energy: 1.683843224952701
Energy: 1.0965789683980476
Energy: 1.0952333845607116
Energy: 1.0967446723216547
Energy: 1.0961544917771002
Energy: 1.0950356796211378
Energy: 1.4348284968097709
Energy: 1.0971178651960192
Energy: 1.098232950088851
Energy: 1.1110029714636345
Energy: 1.09692016038855
Energy: 1.0952167554256431
Energy: 1.4306343093878906
Energy: 1.0965313693267495
Energy: 1.0962862632356134
Energy: 1.0961786236377251
Energy: 1.0969326795836183
Energy: 1.0945092920973851
Energy: 1.530601089301701
Energy: 1.0838208382256507
Energy: 1.1123592009477732
Energy: 1.0966851632854366
Energy: 1.0820824848510044
Energy: 1.0832043799793454
Energy: 1.2837056700097158
Energy: 1.0849729681624887
Energy: 1.0831600632904888
Energy: 1.0951692076977886
Energy: 1.0824502786420374
Energy: 1.1014124128475031
Energy: 1.0813402448405367
Energy: 1.0834264983965987
Energy: 1.1165102485309322
Energy: 1.0980456856576926
Energy: 1.109978348093958
Energy: 1.1020275989110906
Energy: 1.245286404839768
Energy: 1.0896457093981329
Energy: 1.0844580762129643
Energy: 1.0955899751761755
Energy: 1.0838372471792022
Energy: 1.067423683354764
Energy: 1.2244187736049172
Energy: 1.0650977141371618
Energy: 1.0822922687472392
Energy: 1.0843269368102824
Energy: 1.0426478646801773
Energy: 1.0671784963061723
Energy: 1.0028631360613587
Energy: 1.04295970957692
Energy: 1.0439865992521442
Energy: 1.097118569588542
Energy: 1.0429939812985052
Energy: 0.9856139301607592
Energy: 1.0330141798434695
Energy: 0.9854008454296136
Energy: 1.0678181701240512
Energy: 1.0823042142310355
Energy: 1.0433191364671996
Energy: 0.9945458467441212
Energy: 0.9830370955450984
Energy: 0.9727332104095501
Energy: 0.9718948167931327
Energy: 1.0852023283021
Energy: 0.9529081872293278
Energy: 0.9727837315063929
Energy: 0.886526399726436
Energy: 0.9525000353333554
Energy: 1.047428243686406
Energy: 1.0831858153959233
Energy: 0.9544741194814377
Energy: 0.8905530347844274
Energy: 0.8914526914547568
Energy: 0.9544723650411722
Energy: 1.068826026380695
Energy: 1.0678841455855488
Energy: 1.0190683724939598
Energy: 0.8921321136144768
Energy: 0.8916730424852597
Energy: 0.9525880954461686
Energy: 1.0691000000634647
Energy: 1.0837075986553955
Energy: 1.0346913910319269
Energy: 0.8913532275019713
Energy: 0.8872520637779322
Energy: 0.8955991954573227
Energy: 1.0666489401927273
Energy: 1.0659044625572018
Energy: 0.9550313364600157
Energy: 0.8895360326942864
Energy: 0.984909074644742
Energy: 0.9548318606836825
Energy: 1.0685387041902155
Energy: 1.0951578965942672
Energy: 0.9703882634799806
Energy: 0.9735916004796876
Energy: 0.9917421758237306
Energy: 1.041907582879386
Energy: 1.0686921839865846
Energy: 1.0830338766147518
Energy: 1.0436702744144202
Energy: 0.9968393254514882
Energy: 0.9973073585736136
Energy: 1.042605656167414
Energy: 1.0411204363385254
Energy: 1.111603586134743
Energy: 1.0427080552669679
Energy: 0.9869706381848429
Energy: 1.224469646401755
Energy: 1.0426886516505054
Energy: 1.0684549784830437
Energy: 1.0942753271371792
Energy: 1.0447160600650658
Energy: 1.0650691075094227
Energy: 1.2792736091417132
Energy: 1.0821462167014608
Energy: 1.084279977596912
Energy: 1.0946207660418683
Energy: 1.082813918554099
Energy: 1.1171156046127357
Energy: 1.3480440778724763
Energy: 1.0846616357366896
Energy: 1.109961184017308
Energy: 1.0978024144217198
Energy: 1.1130376642349085
Energy: 1.0815995995293337
Energy: 1.2790637455019678
Energy: 1.0825472855300002
Energy: 1.0927182844503411
Energy: 1.0940918550360956
Energy: 1.0826963761353003
Energy: 1.08238540329031
Energy: 1.5371743519210295
Energy: 1.0816477515407228
Energy: 1.1163515114320663
Energy: 1.0981606383533227
Energy: 1.1125208457830338
Energy: 1.0818441300248487
Energy: 1.5348112543185126
Energy: 1.095947038354663
Energy: 1.0956726122794653
Energy: 1.096962815841308
Energy: 1.0960168402525188
Energy: 1.0959438836938342
Energy: 1.5351345768066411
Energy: 1.0960806336958377
Energy: 1.0946256507803878
Energy: 1.0943981919117174
Energy: 1.0968282305126194
Energy: 1.0949468749753877
Energy: 1.8546616378133098
Energy: 1.096117833983518
Energy: 1.0951054434183427
Energy: 1.0964482367665174
Energy: 1.096481846915045
Energy: 1.095058168186528
Energy: 1.8678512334501474
Energy: 1.1231832954877716
Energy: 1.0816429628956978
Energy: 1.082833866525863
Energy: 1.0819830033877327
Energy: 1.0992995214087877
Energy: 1.582834678799636
Energy: 1.0835394101791853
Energy: 1.082100595761292
Energy: 1.0511200291118958
Energy: 1.0835305023473731
Energy: 1.094642078223147
Energy: 1.8431406919309623
Energy: 1.113200279717655
Energy: 1.0980966152169986
Energy: 1.106363857235542
Energy: 1.091232732461935
Energy: 1.1213307299218915
Energy: 2.018482036028733
Energy: 1.0825382757970514
Energy: 1.1095037474274547
Energy: 1.065924107349685
Energy: 1.082816103289378
Energy: 1.0839690763100687
Energy: 1.8620714686434223
Energy: 1.0419668724999673
Energy: 1.0664879027508125
Energy: 1.0676381610648933
Energy: 1.0427407631017087
Energy: 1.0827575008880825
Energy: 1.8648437769896327
Energy: 1.0430870326822839
Energy: 0.9853488208071578
Energy: 0.9962369162636779
Energy: 1.042458958632552
Energy: 1.0428051052320007
Energy: 2.025010573383306
Energy: 1.0683622954648218
Energy: 0.9851210200147905
Energy: 0.9916999160309012
Energy: 1.0426359137833066
Energy: 1.0686291948733135
Energy: 2.1866437756071826
Energy: 0.9863354756322219
Energy: 0.9726802659202419
Energy: 0.9733271612432646
Energy: 0.9541255493455182
Energy: 1.0702938207740895
Energy: 1.8415277290162941
Energy: 0.9532928267643858
Energy: 0.8893826779197346
Energy: 0.8886500732131771
Energy: 0.9532537014827516
Energy: 1.0841350171274822
Energy: 2.00705025830972
Energy: 1.0716365932542975
Energy: 0.9532600238222958
Energy: 0.8888435600922096
Energy: 0.9558505838285954
Energy: 1.0692517938765287
Energy: 2.020768335975472
Energy: 1.0691323211087294
Energy: 0.8903207918030718
Energy: 0.8884583147673497
Energy: 0.9532799201082356
Energy: 1.068288846992987
Energy: 2.037687365931031
Energy: 0.9537460439870613
Energy: 0.8884816689675855
Energy: 0.8865888794904205
Energy: 0.9538257789857677
Energy: 1.0664662123203574

minimum gb energy = 0.886526399726436 eV
minimum distance =  2.23220994131452 Angstroms
sigma value = 67


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

Energy: 0.33731428000611674
Energy: 0.4096971666841843
Energy: 0.4226272678078966
Energy: 0.422653879292906
Energy: 0.4213192611940327
Energy: 0.2942494706752328
Energy: 1.4871979685979932
Energy: 0.421346383362455
Energy: 0.405969460052569
Energy: 0.4060351952526882
Energy: 0.4066288657584854
Energy: 0.4216100143138044
Energy: 1.4713540796853364
Energy: 0.40593650203503573
Energy: 0.40602443383430575
Energy: 0.40609124818891573
Energy: 0.4053519049718622
Energy: 0.40635437708694644
Energy: 0.27872737491794586
Energy: 0.4056554280759035
Energy: 0.4060996764266209
Energy: 0.40616216940768407
Energy: 0.4050398790134732
Energy: 0.2780490179788302
Energy: 0.2780203731672448
Energy: 0.4050869794809186
Energy: 0.40581977644883244
Energy: 0.40606824112644885
Energy: 0.4043553642306915
Energy: 0.278160561624358
Energy: 1.4712643604547646
Energy: 0.40556141017784486
Energy: 0.4061743703677195
Energy: 0.40678968250672753
Energy: 0.40526250205488423
Energy: 0.40619545888184694
Energy: 0.2780222986280188
Energy: 0.4215490136425866
Energy: 0.40601496146673205
Energy: 0.4062629940700894
Energy: 0.40616250620103184
Energy: 0.4215908590317039

minimum gb energy = 0.2780203731672448 eV
minimum distance =  2.40336257238288 Angstroms
sigma value = 3


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

Energy: 2.0079366368977265
Energy: 0.9511363551589166
Energy: 0.872228787711202
Energy: 1.0418609423494554
Energy: 0.9607580493826464
Energy: 1.0688047608094966
Energy: 1.9746685254595302
Energy: 1.0435913921158424
Energy: 0.8587469796029075
Energy: 0.8600009514631916
Energy: 0.8558004847167405
Energy: 1.0490103254215084
Energy: 1.6485677192847983
Energy: 1.0282627048221855
Energy: 0.8650088668107622
Energy: 0.8670178363013247
Energy: 0.8650292358491389
Energy: 1.0301476969654126
Energy: 2.123923303962021
Energy: 0.9614190337868728
Energy: 0.8569797386455645
Energy: 0.8602278772243405
Energy: 0.8584725829541237
Energy: 1.0479758350161874
Energy: 2.1183143841121788
Energy: 0.9517925441634363
Energy: 0.9571626063895192
Energy: 0.9514629915510682
Energy: 0.9480647751924067
Energy: 1.0476535857376168
Energy: 1.6490909291797589
Energy: 1.0378815040145868
Energy: 0.953181851960026
Energy: 0.95566259722347
Energy: 0.9483424119969568
Energy: 1.0518588546452772
Energy: 1.9710271510865636
Energy: 1.0498797143189587
Energy: 0.957957147893364
Energy: 0.9640251944496455
Energy: 0.9610946770737612
Energy: 1.0537782913427287
Energy: 1.837658582184545
Energy: 1.0477263127251613
Energy: 1.0590626101361627
Energy: 1.0873652503525226
Energy: 1.0447842983571305
Energy: 1.0683636702654191
Energy: 1.972294108181454
Energy: 1.0554454667733937
Energy: 1.056536223388814
Energy: 1.0460642002652636
Energy: 1.0541298510584478
Energy: 1.051794403023182
Energy: 1.6479464509991835
Energy: 1.0714320079387358
Energy: 1.0442303295832314
Energy: 1.0576519548780652
Energy: 1.0459752509597866
Energy: 1.082431885577482
Energy: 1.8238406378735887
Energy: 1.0683933700037107
Energy: 1.0835631309304241
Energy: 1.2009078084216682
Energy: 1.0822278385614172
Energy: 1.0708666547447818
Energy: 1.8073350081964406
Energy: 1.0796491874618899
Energy: 1.0753841439032226
Energy: 1.1140050626164555
Energy: 1.0760750561085064
Energy: 1.0792321427957465
Energy: 1.7937703674084737
Energy: 1.0833811903330566
Energy: 1.071930396090348
Energy: 1.0958604246556898
Energy: 1.0857049439288822
Energy: 1.0856133713943015
Energy: 1.7957710877175166
Energy: 1.0799859051572476
Energy: 1.0912884786836539
Energy: 1.1262111490167508
Energy: 1.0912768017817709
Energy: 1.0760091517218071
Energy: 1.5223003985705181
Energy: 1.0865194840178662
Energy: 1.0870295135143178
Energy: 1.1388199966981298
Energy: 1.0877579860222144
Energy: 1.0753682033419523
Energy: 1.520061939339858
Energy: 1.1036766705848264
Energy: 1.0757934187869669
Energy: 1.0767935856174256
Energy: 1.080047884218252
Energy: 1.0865435202070768
Energy: 1.5100248927017068
Energy: 1.091413618960179
Energy: 1.0758543843448602
Energy: 1.084551075931938
Energy: 1.0781041879183688
Energy: 1.103784285289841
Energy: 1.5206817370318308
Energy: 1.0781902360737523
Energy: 1.083596257790081
Energy: 1.0848434000859022
Energy: 1.0800184693464472
Energy: 1.0688022202767617
Energy: 1.5080320658968074
Energy: 1.0819883198972435
Energy: 1.0867010612398524
Energy: 1.0806694243343413
Energy: 1.0736999778735221
Energy: 1.084800824136536
Energy: 1.243567676042472
Energy: 1.0807346089145347
Energy: 1.0678221132808055
Energy: 1.0736270870542097
Energy: 1.0677763384660677
Energy: 1.0803873343674664
Energy: 1.2161915196639577
Energy: 1.046712383518938
Energy: 1.0779559544715855
Energy: 1.0975169608520978
Energy: 1.072314042495811
Energy: 1.0433068512477213
Energy: 1.2317680584638324
Energy: 1.0522271091373687
Energy: 1.0663693859704597
Energy: 1.0862648466012508
Energy: 1.052921062633488
Energy: 1.048637314604433
Energy: 0.9749803487094449
Energy: 1.0529298397772464
Energy: 1.0621669500265727
Energy: 1.073544960548913
Energy: 1.0456149183008412
Energy: 0.9660679311895228
Energy: 0.9757225113997307
Energy: 0.9579097114246019
Energy: 1.0524543455172486
Energy: 1.0841053870428843
Energy: 1.0454560763167446
Energy: 0.9622127883674984
Energy: 0.9772926137240676
Energy: 0.9488267413874858
Energy: 1.0307418549831802
Energy: 1.0763620717501132
Energy: 0.9498230885055393
Energy: 0.9466260947696801
Energy: 0.9704367462121708
Energy: 0.9467978939711175
Energy: 1.0311171695312096
Energy: 1.060087289666407
Energy: 0.94896341071409
Energy: 0.9493777232746543
Energy: 0.8574150567568367
Energy: 0.855073734002062
Energy: 1.0256094039612837
Energy: 1.0616370130069164
Energy: 0.9480920822874004
Energy: 0.856815601778163
Energy: 0.8669488235874563
Energy: 0.8664004192768618
Energy: 1.0279299717171249
Energy: 1.1100428149890251
Energy: 0.8663335115863504
Energy: 0.8631030621528348
Energy: 0.858838425004608
Energy: 0.8580266936710936
Energy: 1.046980945693824
Energy: 1.0804726248864343
Energy: 0.9488873104721975
Energy: 0.8574282021709372
Energy: 1.0037731799325584
Energy: 0.9822076551943151
Energy: 1.044217638612503
Energy: 1.0707416000335097
Energy: 0.9483074831837108
Energy: 0.9710598828092244
Energy: 0.9783380458955321
Energy: 0.9485615163599085
Energy: 1.059253140720446
Energy: 1.0783470119524774
Energy: 0.9643028146059752
Energy: 0.9514691684860599
Energy: 0.9710562136883252
Energy: 0.9497666095195586
Energy: 1.06669479128672
Energy: 1.0806201034578526
Energy: 0.9771533099384766
Energy: 0.9521184584169864
Energy: 0.9770953370219637
Energy: 0.9657682787637372
Energy: 1.0451125258989908
Energy: 1.0756784249449542
Energy: 1.0453822183184327
Energy: 0.9599534811843976
Energy: 1.2210418790101094
Energy: 1.0524002275520425
Energy: 1.043467403268988
Energy: 1.066278216873175
Energy: 1.0433882268729915
Energy: 1.0479685440664797
Energy: 1.2239519807599755
Energy: 1.0540294684776714
Energy: 1.076926953558561
Energy: 1.128981447812839
Energy: 1.0495234498727055
Energy: 1.0478260621895998
Energy: 1.2358191092781323
Energy: 1.074784184020826
Energy: 1.0753999369658818
Energy: 1.0801530904469117
Energy: 1.0674636084622378
Energy: 1.0890051400795944
Energy: 1.3782553946508704
Energy: 1.0814619696564522
Energy: 1.067750591507137
Energy: 1.0744727878857487
Energy: 1.069882114893151
Energy: 1.0755990216372213
Energy: 1.378962523291793
Energy: 1.080761427096841
Energy: 1.0829445684274948
Energy: 1.0853907938941838
Energy: 1.094637532589584
Energy: 1.0728223823563718
Energy: 1.5054495010573918
Energy: 1.0689379887864865
Energy: 1.077050865458583
Energy: 1.0911687167223807
Energy: 1.0988030396728814
Energy: 1.0741989672729952
Energy: 1.5181877855884904
Energy: 1.09038650051108
Energy: 1.0760309791282607
Energy: 1.1159002432054226
Energy: 1.0805255267457325
Energy: 1.0891053349265247
Energy: 1.6621428092539396
Energy: 1.0889797358874378
Energy: 1.1015862865804493
Energy: 1.1146997861161996
Energy: 1.0885260078952446
Energy: 1.0821509903536122
Energy: 1.664495696550352
Energy: 1.0760505885468017
Energy: 1.0919131291572004
Energy: 1.1290148866417402
Energy: 1.0892161558258853
Energy: 1.0764217835612475
Energy: 1.64897199875377
Energy: 1.0773715148948009
Energy: 1.0681182026727187
Energy: 1.1051488761516348
Energy: 1.0701117661274102
Energy: 1.0890686595272558
Energy: 1.9380741577523946
Energy: 1.0832692907885053
Energy: 1.0807294578675382
Energy: 1.1242786446844724
Energy: 1.0779984487937433
Energy: 1.0930143206712317
Energy: 1.689771381348859
Energy: 1.0687257323022912
Energy: 1.0749742176434094
Energy: 1.0951872536291
Energy: 1.081085125293173
Energy: 1.0746241097319613
Energy: 1.9442399251806524
Energy: 1.0760209811444508
Energy: 1.0811824236725203
Energy: 1.08281674221768
Energy: 1.0806559168900614
Energy: 1.0768040201307219
Energy: 1.64861015088033
Energy: 1.0551813556014118
Energy: 1.0461486368560067
Energy: 1.0733597714064325
Energy: 1.052840744178998
Energy: 1.0750445533163242
Energy: 1.971168355401093
Energy: 1.044475384193841
Energy: 1.0528328790491857
Energy: 1.0574544722320323
Energy: 1.0448011301179005
Energy: 1.0592100337342667
Energy: 1.967560973408518
Energy: 1.0457468349811976
Energy: 0.957834009896188
Energy: 0.9683312393203054
Energy: 0.9659209426238824
Energy: 1.0579229762305464
Energy: 1.6490416393981389
Energy: 1.0481474737420327
Energy: 0.9486026306583017
Energy: 0.9491616326524565
Energy: 0.9504217626333884
Energy: 1.0650706303819264
Energy: 1.982812864925381
Energy: 0.9500306584087135
Energy: 0.947060214059548
Energy: 0.986495891261574
Energy: 0.9488571456016601
Energy: 1.0761636501563776

minimum gb energy = 0.855073734002062 eV
minimum distance =  2.19796006430903 Angstroms
sigma value = 81


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

Energy: 2.140663198031073
Energy: 1.0800470039389252
Energy: 0.9783373497384689
Energy: 0.9603824073716583
Energy: 1.1048641993549653
Energy: 1.2211454540768103
Energy: 1.703913937452491
Energy: 1.0985731514819388
Energy: 0.9570749745980056
Energy: 0.9625401483596624
Energy: 0.958437012222411
Energy: 1.2040379188987909
Energy: 1.6819156799579442
Energy: 1.0790769956779511
Energy: 0.9658110220960053
Energy: 0.9657882393685141
Energy: 0.9669577699815853
Energy: 1.183925259101494
Energy: 1.7155407516981618
Energy: 1.0790048159943346
Energy: 0.9591121462912832
Energy: 0.9581232266628344
Energy: 0.9578009560353619
Energy: 1.196127017655293
Energy: 1.713632991243775
Energy: 1.0805050796870286
Energy: 1.0961428754104843
Energy: 1.0828462116443214
Energy: 1.0789037997130122
Energy: 1.2033804931190737
Energy: 1.679526885528275
Energy: 1.0792549993021279
Energy: 1.0797971510047413
Energy: 1.0821691202154196
Energy: 1.0778870674740677
Energy: 1.2265414990695052
Energy: 1.7064668602560207
Energy: 1.207365166820956
Energy: 1.0884159802978406
Energy: 1.0801223463478953
Energy: 1.1033548063322196
Energy: 1.2081747036826753
Energy: 1.7173939253756592
Energy: 1.1983681821148566
Energy: 1.2224599288763984
Energy: 1.1073431058784804
Energy: 1.2030169806984339
Energy: 1.211526380701394
Energy: 1.6731110202857342
Energy: 1.231644573876509
Energy: 1.2067745862821004
Energy: 1.2080242616257864
Energy: 1.2182699429337196
Energy: 1.2096760252772722
Energy: 1.676353594938473
Energy: 1.2211311686501314
Energy: 1.1969619952267068
Energy: 1.2130173242903834
Energy: 1.206957324615974
Energy: 1.221318821189805
Energy: 1.4714603077386952
Energy: 1.220047138816808
Energy: 1.2292078423589512
Energy: 1.3846117251057888
Energy: 1.2317765938978726
Energy: 1.2142889395944456
Energy: 1.3039479483111445
Energy: 1.231313896038001
Energy: 1.2290962803719845
Energy: 1.2512500523591363
Energy: 1.2302962013432968
Energy: 1.2294190865633736
Energy: 1.4882682685223296
Energy: 1.2293222901481429
Energy: 1.220096031565845
Energy: 1.2106040125668536
Energy: 1.2295566327989969
Energy: 1.2355979173805793
Energy: 1.4595887513584587
Energy: 1.2040253793006654
Energy: 1.2228077431815167
Energy: 1.2207236001249537
Energy: 1.2327580298771459
Energy: 1.2108298010005427
Energy: 1.4639770121296305
Energy: 1.2074134097583948
Energy: 1.2409955894453812
Energy: 1.28154280548652
Energy: 1.2082630116525506
Energy: 1.1981979150214976
Energy: 1.12893217535053
Energy: 1.2188783350952557
Energy: 1.2077751407939057
Energy: 1.2178475461420242
Energy: 1.2066615608382014
Energy: 1.2305150548911499
Energy: 1.109989252510471
Energy: 1.0881842782964912
Energy: 1.2079287188651493
Energy: 1.2154674627361486
Energy: 1.1990238899539103
Energy: 1.0891341371836591
Energy: 1.1141966989197654
Energy: 1.08011897695624
Energy: 1.1834872527927958
Energy: 1.222574947626871
Energy: 1.079036830057478
Energy: 1.0780233825077488
Energy: 1.1122327531797165
Energy: 1.0784356495233798
Energy: 1.1789729835209926
Energy: 1.20812663908472
Energy: 1.0780374465540719
Energy: 1.0786951951519292
Energy: 0.9589136680810726
Energy: 0.9579234047845709
Energy: 1.1787264080468118
Energy: 1.2082489981169837
Energy: 1.0782989903141327
Energy: 0.9568154201422436
Energy: 0.9672595514050829
Energy: 0.9668679692072807
Energy: 1.1839869804423566
Energy: 1.273151113335663
Energy: 0.9660784273699927
Energy: 0.9658801879119491
Energy: 0.9604067276691247
Energy: 0.960472320131784
Energy: 1.187339129646316
Energy: 1.2227213994606907
Energy: 1.096133683990024
Energy: 0.9582597361903072
Energy: 0.9756453969588876
Energy: 0.9765194332416385
Energy: 1.209035306519739
Energy: 1.2403186272544913
Energy: 1.1034422583186914
Energy: 0.9764622380007315
Energy: 1.1196038759504852
Energy: 1.0809352057985575
Energy: 1.187041310380866
Energy: 1.221599949026446
Energy: 1.0957910556277173
Energy: 1.0786363692114818
Energy: 1.1117496054953397
Energy: 1.0772756012035152
Energy: 1.2285982957591868
Energy: 1.2737504996174285
Energy: 1.0792354647336144
Energy: 1.0855082421456328
Energy: 1.1285137162870273
Energy: 1.1016312623877687
Energy: 1.2068890314932248
Energy: 1.2111692080470975
Energy: 1.2029948481436523
Energy: 1.100756216807603
Energy: 1.2985486582340122
Energy: 1.2031464398256204
Energy: 1.207746332747405
Energy: 1.2107812771710547
Energy: 1.2068191790852671
Energy: 1.2044244513114761
Energy: 1.2699474841139722
Energy: 1.2081369153958232
Energy: 1.2076510542052763
Energy: 1.4027904208285416
Energy: 1.2093644361452816
Energy: 1.2085166421241609
Energy: 1.4660146483912504
Energy: 1.2183763343022982
Energy: 1.2217718142540424
Energy: 1.2294898522868816
Energy: 1.2193552807679966
Energy: 1.2208308839284703
Energy: 1.4824421575460982
Energy: 1.246625763136757
Energy: 1.2213295069985217
Energy: 1.1992753740802917
Energy: 1.2275592389343402
Energy: 1.2304568282787323
Energy: 1.691546498984524
Energy: 1.2272809917438237
Energy: 1.2449230516862924
Energy: 1.231374145039252
Energy: 1.2294577392001087
Energy: 1.209427340768957
Energy: 1.6830043303252393
Energy: 1.219964600126526
Energy: 1.2116468162332288
Energy: 1.209947525450634
Energy: 1.2313395047796791
Energy: 1.2213789191314435
Energy: 1.681889416018558
Energy: 1.207117953919706
Energy: 1.198159155099522
Energy: 1.2288574802701555
Energy: 1.2093558615972286
Energy: 1.2211303981161268
Energy: 1.6727543478210207
Energy: 1.2076702248578768
Energy: 1.2031691436144158
Energy: 1.2112564299186728
Energy: 1.2033075064412642
Energy: 1.2177621021335916
Energy: 1.6693487001824117
Energy: 1.197036246378687
Energy: 1.1015489694210898
Energy: 1.1003880818971845
Energy: 1.221237677515747
Energy: 1.2086307712221172
Energy: 1.6880852580824461
Energy: 1.2203831380433439
Energy: 1.0768615615136856
Energy: 1.0807369573379073
Energy: 1.0780319061758925
Energy: 1.2295363868394635
Energy: 1.7194287520005616
Energy: 1.201104131220341
Energy: 1.0788540645997413
Energy: 1.0875704722623813
Energy: 1.0797172779495736
Energy: 1.2256834147649047
Energy: 1.6550481259879768
Energy: 1.0771200228012483
Energy: 1.081055175076693
Energy: 0.9769934089603924
Energy: 1.0789412688210143
Energy: 1.2074670811386163

minimum gb energy = 0.9568154201422436 eV
minimum distance =  2.2791182041009 Angstroms
sigma value = 43


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

Energy: 1.964484627256536
Energy: 1.1829685636703153
Energy: 1.0306640047316442
Energy: 1.0317580763248402
Energy: 1.182232058668031
Energy: 1.3276147872942965
Energy: 1.4867540529499819
Energy: 1.1753704690460856
Energy: 1.030473633752045
Energy: 1.0307108390436115
Energy: 1.0311900624205328
Energy: 1.3067014807564683
Energy: 1.4397195118569095
Energy: 1.175835763856832
Energy: 1.0382990200358575
Energy: 1.0377103558467076
Energy: 1.0379793054548814
Energy: 1.2997023757131898
Energy: 1.6972643628907158
Energy: 1.1756110567259128
Energy: 1.029250603347704
Energy: 1.0290750154957293
Energy: 1.0311161195523333
Energy: 1.30813419688593
Energy: 1.695878168070506
Energy: 1.1759120237866263
Energy: 1.183959771729014
Energy: 1.1834795170664323
Energy: 1.1747543006015333
Energy: 1.3146148739323495
Energy: 1.4602586269983167
Energy: 1.1751521167540098
Energy: 1.1797970870725447
Energy: 1.1778142002332392
Energy: 1.1774087567151978
Energy: 1.3427892661388048
Energy: 1.488578445723256
Energy: 1.3309862947769575
Energy: 1.2000716140016094
Energy: 1.1780950141521271
Energy: 1.182663502688184
Energy: 1.3232618359729997
Energy: 1.6631476851274762
Energy: 1.3094247121976237
Energy: 1.3419597892919015
Energy: 1.2455402994226272
Energy: 1.3095538227447476
Energy: 1.3128396675504685
Energy: 1.4591324559127627
Energy: 1.31658455723951
Energy: 1.3574293524902998
Energy: 1.310527727658276
Energy: 1.3164800601330109
Energy: 1.3184043561534653
Energy: 1.44923162362421
Energy: 1.3186508152421892
Energy: 1.3154119309596335
Energy: 1.3096294473687347
Energy: 1.3156847503634763
Energy: 1.3270968810188557
Energy: 1.6851072519139776
Energy: 1.3114651268086022
Energy: 1.336047640020637
Energy: 1.359232355077176
Energy: 1.3156120952194206
Energy: 1.3147542675114037
Energy: 1.6703852016817535
Energy: 1.3090368280292786
Energy: 1.3165677684724422
Energy: 1.3172603445554225
Energy: 1.315644847910521
Energy: 1.3269945883626206
Energy: 1.2214255179184763
Energy: 1.1986694276619878
Energy: 1.3176042122910725
Energy: 1.339788520177309
Energy: 1.3103859413743473
Energy: 1.1990851451855071
Energy: 1.2222556399982147
Energy: 1.1743469381248066
Energy: 1.343583699177438
Energy: 1.336042743069477
Energy: 1.303000937180595
Energy: 1.1752059031452886
Energy: 1.2244072382071354
Energy: 1.1756256311709299
Energy: 1.2981979334160627
Energy: 1.328407332125897
Energy: 1.1976407557067117
Energy: 1.1763750826875337
Energy: 1.029382850760908
Energy: 1.1835085245607342
Energy: 1.3014702702176708
Energy: 1.3292437751887805
Energy: 1.1749158289440893
Energy: 1.1831640127260301
Energy: 1.0310087424341785
Energy: 1.03054010331432
Energy: 1.3043027999666101
Energy: 1.358397688634947
Energy: 1.1756613163634488
Energy: 1.0303417126814354
Energy: 1.038517977722945
Energy: 1.0380462454924047
Energy: 1.2996006492712393
Energy: 1.375997187530871
Energy: 1.0539066668355974
Energy: 1.0377785974474956
Energy: 1.029730173855331
Energy: 1.0294233810709785
Energy: 1.1753690384077295
Energy: 1.3088641176292684
Energy: 1.1751552021877532
Energy: 1.0293276095989223
Energy: 1.2696799572551556
Energy: 1.183759362135723
Energy: 1.1758676263653514
Energy: 1.3075430149037541
Energy: 1.175557467089567
Energy: 1.1828920252899804
Energy: 1.2234974888908212
Energy: 1.1786556374188621
Energy: 1.2997459454846185
Energy: 1.3163573024921715
Energy: 1.175905848716257
Energy: 1.17366025450826
Energy: 1.2222567226500056
Energy: 1.1851980894017626
Energy: 1.3156581245479329
Energy: 1.43515305577619
Energy: 1.1984961502161897
Energy: 1.1786519903694639
Energy: 1.2207799622242366
Energy: 1.3264608166402987
Energy: 1.3248856555491522
Energy: 1.3131937674029908
Energy: 1.2014579476564367
Energy: 1.1993930331005855
Energy: 1.4165727900144094
Energy: 1.3316234540423633
Energy: 1.3160413488410245
Energy: 1.3518123766958188
Energy: 1.317758464550344
Energy: 1.3094949371441527
Energy: 1.4507681343157393
Energy: 1.331426795160163
Energy: 1.3207055430172145
Energy: 1.3353240804908972
Energy: 1.3154295213005276
Energy: 1.3197851294396727
Energy: 1.4493174465499439
Energy: 1.3156306857323887
Energy: 1.312732712328971
Energy: 1.3412115787715304
Energy: 1.3175004200947449
Energy: 1.341233366805054
Energy: 1.4068805810401597
Energy: 1.3155163592120211
Energy: 1.3086402511732635
Energy: 1.3241818005885682
Energy: 1.3105347640313456
Energy: 1.316344374451467
Energy: 1.9289345304996954
Energy: 1.3094572812375982
Energy: 1.1988237163547688
Energy: 1.1790835526100494
Energy: 1.3257752079967422
Energy: 1.3132292264683394
Energy: 1.4490526505200811
Energy: 1.310384500909297
Energy: 1.1743265967718737
Energy: 1.1761669914121513
Energy: 1.1742998642862594
Energy: 1.3368899265378038
Energy: 1.4496946128630006
Energy: 1.1786369315125487
Energy: 1.200040370739191
Energy: 1.1788360875322001
Energy: 1.1783511597285596
Energy: 1.3006503872090263
Energy: 1.9094429623863785
Energy: 1.1751713539418767
Energy: 1.1829733039362524
Energy: 1.1829951434177852
Energy: 1.1752655740565952
Energy: 1.2887947371905017

minimum gb energy = 1.0290750154957293 eV
minimum distance =  2.23623928789307 Angstroms
sigma value = 57


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

Energy: 1.685815130549948
Energy: 1.308639724338506
Energy: 1.136559835705227
Energy: 1.1283459069215362
Energy: 1.3106919319133155
Energy: 1.474776218129029
Energy: 1.6754179745264464
Energy: 1.3120751134146806
Energy: 1.1411644784035888
Energy: 1.132931258178441
Energy: 1.1407780926132831
Energy: 1.4344395180823313
Energy: 1.674878326462737
Energy: 1.3114694066855757
Energy: 1.1542146728830436
Energy: 1.1373563703238216
Energy: 1.140447142400813
Energy: 1.4315794921612526
Energy: 1.6633528231176442
Energy: 1.3049898461608078
Energy: 1.1409334303624
Energy: 1.12776846936079
Energy: 1.1374858252701499
Energy: 1.4288138210121624
Energy: 1.6579795381084612
Energy: 1.3049272041551498
Energy: 1.3105474218390454
Energy: 1.3067149373837115
Energy: 1.3102250980220222
Energy: 1.4286389887059368
Energy: 1.6740034409540925
Energy: 1.308544255782789
Energy: 1.2983593429042948
Energy: 1.304787280466352
Energy: 1.298135813591651
Energy: 1.4887589995249868
Energy: 1.67657038371004
Energy: 1.4581869294019776
Energy: 1.3190993739442234
Energy: 1.3165349432574511
Energy: 1.305259748964301
Energy: 1.4743693215242968
Energy: 1.3867187445131508
Energy: 1.4306435451915553
Energy: 1.467945598575072
Energy: 1.1370974208344349
Energy: 1.476856457401701
Energy: 1.4327699744426798
Energy: 1.3896263427325868
Energy: 1.477685217697662
Energy: 1.4280466367180933
Energy: 1.4833069144026225
Energy: 1.4545104932586432
Energy: 1.4679608287264625
Energy: 1.3877334501586045
Energy: 1.3053298439958883
Energy: 1.430726006169623
Energy: 1.5665338832344602
Energy: 1.4312723229757438
Energy: 1.3155647349720994
Energy: 1.4092001747378886
Energy: 1.3092258103660133
Energy: 1.431182413283994
Energy: 1.5217364109903193
Energy: 1.3070828292864682
Energy: 1.323237463301668
Energy: 1.3922175406895954
Energy: 1.3217297378143793
Energy: 1.3046181183884649
Energy: 1.4902321674900512
Energy: 1.3058544794918114
Energy: 1.3147569322483486
Energy: 1.1309447677012434
Energy: 1.1382756016756548
Energy: 1.4269947499723012
Energy: 1.4280699966859498
Energy: 1.3050685426151467
Energy: 1.135013998927059
Energy: 1.1282677720887027
Energy: 1.1609983410041331
Energy: 1.4322118856040322
Energy: 1.5211635743794756
Energy: 1.1605382451277952
Energy: 1.1570635937281826
Energy: 1.127764571920937
Energy: 1.1440798971206987
Energy: 1.3095730239683934
Energy: 1.5115847562472438
Energy: 1.3321858281877994
Energy: 1.1265023173110331
Energy: 1.1323737018192976
Energy: 1.309963131153889
Energy: 1.4293256373255763
Energy: 1.42920182158772
Energy: 1.3095642966442311
Energy: 1.13349647238789
Energy: 1.3897893645975528
Energy: 1.3091012499889998
Energy: 1.3276966716172571
Energy: 1.312951681278384
Energy: 1.3076891868324656
Energy: 1.3071521820882726
Energy: 1.3878523248348569
Energy: 1.29684095859335
Energy: 1.4698572943869588
Energy: 1.3165061800326263
Energy: 1.30710416846646
Energy: 1.3167715547751249
Energy: 1.3900902378916433
Energy: 1.3116430048944447
Energy: 1.4684306956309408
Energy: 1.496684187916961
Energy: 1.4313162556479353
Energy: 1.3161640676577766
Energy: 1.3892131512537491
Energy: 1.4540609003320706
Energy: 1.4309485114688105
Energy: 1.4597061253224826
Energy: 1.4319563023320785
Energy: 1.478236050621805
Energy: 1.6481657517247679
Energy: 1.4536920367968238
Energy: 1.3150990187699545
Energy: 1.3333653094343294
Energy: 1.4534252733449036
Energy: 1.4373948552014366
Energy: 1.3922483285605356
Energy: 1.4307955593262554
Energy: 1.320186401898746
Energy: 1.3119300403462688
Energy: 1.3042829105966929
Energy: 1.4789971747140789
Energy: 1.6728530781244766
Energy: 1.308772460810972
Energy: 1.3442100248321904
Energy: 1.305138465113641
Energy: 1.3245530336244942
Energy: 1.4314779712212988
Energy: 1.1254631803295825
Energy: 1.3054003100899554
Energy: 1.3101969311348036
Energy: 1.135137146293941
Energy: 1.3095839106969516
Energy: 1.4278558996052158

minimum gb energy = 1.1254631803295825 eV
minimum distance =  2.23125527697182 Angstroms
sigma value = 17


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

Energy: 2.6209193464196683
Energy: 1.496849549049612
Energy: 1.3176069039267375
Energy: 1.5198103657824342
Energy: 1.5047754374634177
Energy: 1.4622998827835705
Energy: 1.4669449588895302
Energy: 1.5253151965441671
Energy: 1.3062181049708972
Energy: 1.3039190895332762
Energy: 1.3004196085560298
Energy: 1.5357626115743181
Energy: 1.4826605126521437
Energy: 1.5145860364529924
Energy: 1.3030650847625365
Energy: 1.3014576088906156
Energy: 1.322528813729129
Energy: 1.4884736455453933
Energy: 1.477332729751365
Energy: 1.4285816235579478
Energy: 1.303939397859787
Energy: 1.3010508331253292
Energy: 1.4891178228496391
Energy: 1.4478064997904037
Energy: 1.476160646083676
Energy: 1.4276400799974729
Energy: 1.4585721215658878
Energy: 1.2261596947241955
Energy: 1.4592512656827006
Energy: 1.449322713621574
Energy: 1.4818742573295913
Energy: 1.461099386685354
Energy: 1.4608555369397476
Energy: 1.2271912458249041
Energy: 1.4607226885014288
Energy: 1.5615671434830762
Energy: 1.4679505563016295
Energy: 1.5566329499940055
Energy: 1.459962748673935
Energy: 1.2485937090916182
Energy: 1.4286742966543011
Energy: 1.5550019125413594
Energy: 1.4594159395679829
Energy: 1.5582326438732808
Energy: 1.605272766264331
Energy: 1.2516136861157101
Energy: 1.5634717681312993
Energy: 1.5590163271750381
Energy: 1.4262078546556027
Energy: 1.5561437134929557
Energy: 1.6174669730840658
Energy: 1.6069019735012522
Energy: 1.6176040240367695
Energy: 1.5571213820945649
Energy: 1.4553958953961519
Energy: 1.3791114587322342
Energy: 1.6047509414101884
Energy: 1.255383397721301
Energy: 1.556741069573979
Energy: 1.378987037626956
Energy: 1.4526635332896247
Energy: 1.3825528776193272
Energy: 1.374551959804105
Energy: 1.251737635454792
Energy: 1.3749728351549775
Energy: 1.360429980730463
Energy: 1.4541885947648698
Energy: 1.380682657081606
Energy: 1.4640605731553062
Energy: 1.4529351731993492
Energy: 1.4544989394136627
Energy: 1.380871512508329
Energy: 1.4876600328652239
Energy: 1.5228220612330354
Energy: 1.455631724406283
Energy: 1.4515182917172562
Energy: 1.454956622771396
Energy: 1.5255405851851878
Energy: 1.4460722591200574
Energy: 1.3657049746176073
Energy: 1.4866235146544546
Energy: 1.3156962428529422
Energy: 1.4861723541322516
Energy: 1.2273529658192655
Energy: 1.4827176565388922
Energy: 1.4555505728841784
Energy: 1.4983343722588416
Energy: 1.3145578768283268
Energy: 1.3959045786988553
Energy: 1.3809977724487574
Energy: 1.482149623853639
Energy: 1.526873678614618
Energy: 1.5311183001651483
Energy: 1.497501549075902
Energy: 1.529736267173201
Energy: 1.4720535819147307
Energy: 1.244049835691721
Energy: 1.4973905235955955
Energy: 1.498797780461746
Energy: 1.300339860504767
Energy: 1.499131087819769
Energy: 1.5944211070743985

minimum gb energy = 1.2261596947241955 eV
minimum distance =  2.19293270569563 Angstroms
sigma value = 17


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

Energy: 1.6674678164732557
Energy: 1.4621598301281997
Energy: 1.3090190790835032
Energy: 1.3083285930105948
Energy: 1.3083821353309448
Energy: 1.7420302447928773
Energy: 1.319685059059135
Energy: 1.452530714336046
Energy: 1.3046345912588904
Energy: 1.3018587901444545
Energy: 1.3051623221689599
Energy: 1.4571080860003596
Energy: 1.312926657816717
Energy: 1.4590337096151398
Energy: 1.3056646918421217
Energy: 1.3041552036454178
Energy: 1.3030623904943435
Energy: 1.6374868668567484
Energy: 1.8244166323014237
Energy: 1.6048389293988343
Energy: 1.323115824481015
Energy: 1.3204240828508116
Energy: 1.3215694083789205
Energy: 1.680916300942542
Energy: 1.422940511155564
Energy: 1.6789654651276087
Energy: 1.6021977689129656
Energy: 1.3084456154371513
Energy: 1.6799965461150987
Energy: 1.5996750896593481
Energy: 1.3140618083953883
Energy: 1.3059194019843336
Energy: 1.6483812039148522
Energy: 1.5183467326911266
Energy: 1.699296734735147
Energy: 1.3096680694892069
Energy: 1.3180160588213152
Energy: 1.3214807743925452
Energy: 1.604724670298727
Energy: 1.308046482369255
Energy: 1.4738648655503586
Energy: 1.3214501217987447
Energy: 1.2945320408957521
Energy: 1.3039752611699933
Energy: 1.492893696698473
Energy: 1.3248446690828686
Energy: 1.321208600829756
Energy: 1.3029542747839706
Energy: 1.3079748412238752
Energy: 1.307566698642185
Energy: 1.544614766505756
Energy: 1.6031856449162165
Energy: 1.4475999448454
Energy: 1.311155015168441
Energy: 1.483250249251399
Energy: 1.4507538343430184
Energy: 1.448086387330453
Energy: 1.4058048277103738
Energy: 1.4573028900187885
Energy: 1.4450637546141094
Energy: 1.489476026955756
Energy: 1.4521437970741011
Energy: 1.4609036023796007
Energy: 1.3098932091384312
Energy: 1.4521629520604695
Energy: 1.4520643136466223
Energy: 1.4076242017445264
Energy: 1.4505231145591009
Energy: 1.5366361877076604
Energy: 1.4045855556016558
Energy: 1.6124157342220617
Energy: 1.445505018435461
Energy: 1.3538061145400133
Energy: 1.6062049136338679
Energy: 1.609880629945902
Energy: 1.4033957139433375
Energy: 1.60748433392244
Energy: 1.6316972704702888
Energy: 1.9912536670809513
Energy: 1.5375263463758937
Energy: 1.5203288027363346
Energy: 1.2845580302376507
Energy: 1.6525677533422052
Energy: 1.7603367408809383
Energy: 1.5539961895602137
Energy: 1.5369731974355199
Energy: 1.2778449216562857
Energy: 1.2797102126066862
Energy: 1.2775209400940177
Energy: 1.6066473295157309
Energy: 1.351680149197981
Energy: 1.2814082728640435
Energy: 1.28495172595602
Energy: 1.283377428151984
Energy: 1.282721129839081
Energy: 1.5952003656536171
Energy: 1.8174718695328702
Energy: 1.6257393005960947
Energy: 1.2789958063485694
Energy: 1.2962237348306351
Energy: 1.278301781628707
Energy: 1.6152950964789967
Energy: 1.8176852711437501
Energy: 1.6263607827510183
Energy: 1.5361948259099611
Energy: 1.2927746391160264
Energy: 1.5385484209984954
Energy: 1.6035403543669913
Energy: 1.4932254115580923
Energy: 1.6045048564125903
Energy: 1.6018075654794224
Energy: 1.5498255234304472
Energy: 1.6027128991917368
Energy: 1.306839135595261
Energy: 1.4858704464924362
Energy: 1.4483929710731893
Energy: 1.542560870525609
Energy: 1.4753904163117055
Energy: 1.605404646806106
Energy: 1.4431134717609353
Energy: 1.4840969981554295
Energy: 1.45129546335318
Energy: 1.4514498353686256
Energy: 1.319286282839619
Energy: 1.451703676857608
Energy: 1.446117946266364
Energy: 1.4448388772161664
Energy: 1.449677449931274
Energy: 1.5635874842513664
Energy: 1.6726528523555686
Energy: 1.4464334270970212
Energy: 1.303825394333455
Energy: 1.302911948929002
Energy: 1.3050905169535998
Energy: 1.4501413054928733
Energy: 1.4590872141886044
Energy: 1.4444393328120586
Energy: 1.3019712476502576
Energy: 1.3027484193625343
Energy: 1.3045977589455382
Energy: 1.458651325229277
Energy: 1.3069084272212395
Energy: 1.3033229050529358
Energy: 1.3046888429212546
Energy: 1.31230517505075
Energy: 1.3057979976531096
Energy: 1.6007996997366278
Energy: 1.581212929441616
Energy: 1.598950836677009
Energy: 1.305797495181728
Energy: 1.3070915587678356
Energy: 1.6968087647995542
Energy: 1.605349482670123
Energy: 1.4027295237970652
Energy: 1.6931291671944413
Energy: 1.6820904514844204
Energy: 2.010305374768126
Energy: 1.6974826762446327
Energy: 1.69397351299252
Energy: 1.3071223828649579
Energy: 1.696203669245753
Energy: 1.6483662115432653
Energy: 1.2731245256614296
Energy: 1.6730379178241344
Energy: 1.3191470907201155
Energy: 1.3083127242719943
Energy: 1.3071111256090437
Energy: 1.6019170180878048
Energy: 1.3089948796954323
Energy: 1.3100272896471912
Energy: 1.3068863932998496
Energy: 1.297438371713682
Energy: 1.305048722759952
Energy: 1.4067881864391107
Energy: 1.8159118152267149
Energy: 1.44469334913221
Energy: 1.3048623283893648
Energy: 1.3023995206041117
Energy: 1.3048282919976906
Energy: 1.6053196034450032
Energy: 1.818924038843563
Energy: 1.4597398298399613
Energy: 1.4461942010932278
Energy: 1.4781759742255915
Energy: 1.447929556435367
Energy: 1.6050997768611233
Energy: 1.310953881650623
Energy: 1.4520320150221238
Energy: 1.4548402785466896
Energy: 1.2988275491986283
Energy: 1.457076662667859
Energy: 1.4632089407886437
Energy: 1.4742647229896184
Energy: 1.5427604908664048
Energy: 1.4444692899569833
Energy: 1.4394269196259604
Energy: 1.4443855497530098
Energy: 1.5420763044255572
Energy: 1.8227516679034814
Energy: 1.6051828347313877
Energy: 1.5096252696081667
Energy: 1.351778167696791
Energy: 1.6058698535635818
Energy: 1.605776751140007
Energy: 1.3088502599639769
Energy: 1.5440188638198338
Energy: 1.657371862545099
Energy: 1.5292383117085484
Energy: 1.6250134652904575
Energy: 1.4035201707321387
Energy: 1.2915368215994616
Energy: 1.2820463812297374
Energy: 1.6113006928595834
Energy: 1.526241838608999
Energy: 1.5394515102724198
Energy: 1.2914002262948576
Energy: 1.2782079248317089
Energy: 1.2819966587505032
Energy: 1.567594826486174
Energy: 1.352156880451228
Energy: 1.2873963497730219
Energy: 1.2818285556729556
Energy: 1.2889847066828282
Energy: 1.2791803210720019
Energy: 1.6074148877564691
Energy: 1.3027613519250205
Energy: 1.4007424470052463
Energy: 1.2795702802034181
Energy: 1.3121448363631945
Energy: 1.5184486254038303
Energy: 1.6956187770708937
Energy: 1.6044250806260383
Energy: 1.5365934252029636
Energy: 1.2893013894448975
Energy: 1.6545819157572053
Energy: 1.6040853528233912
Energy: 1.6063178927920587
Energy: 1.355845882308093
Energy: 1.60601111066941
Energy: 1.60562736848533
Energy: 1.4752716940082318
Energy: 1.6251211022538798
Energy: 1.4512122651734394
Energy: 1.4906405594813692
Energy: 1.4857217473450248
Energy: 1.5359414110637275
Energy: 1.4704487087399687
Energy: 1.4872225231253542
Energy: 1.4478638406411888
Energy: 1.298155607760833
Energy: 1.4454454765322036
Energy: 1.550321554275428
Energy: 1.6407574718999431
Energy: 1.4496387272200533
Energy: 1.4470306377092839
Energy: 1.4862495500531012
Energy: 1.4485080332567293
Energy: 1.5551420361953905

minimum gb energy = 1.2731245256614296 eV
minimum distance =  2.17005613415163 Angstroms
sigma value = 57


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

Energy: 1.927165860772116
Energy: 1.777230168311366
Energy: 1.4365507081194542
Energy: 1.5106492990752047
Energy: 1.670179782586545
Energy: 1.8432390455768337
Energy: 1.3276897460950023
Energy: 1.5076286392372817
Energy: 1.3564989369391458
Energy: 1.3190155266032058
Energy: 1.3439147058574339
Energy: 1.5021107109376286
Energy: 1.3449314369459988
Energy: 1.5280565392757017
Energy: 1.3508432816718818
Energy: 1.3099350017797238
Energy: 1.3431242552934979
Energy: 1.671776394115714
Energy: 1.6348484392844556
Energy: 1.6614836020634112
Energy: 1.398066478161613
Energy: 1.3449717104161747
Energy: 1.3532575613901836
Energy: 1.6635416278253612
Energy: 1.6423013539953453
Energy: 1.6606406027604674
Energy: 1.650606255979708
Energy: 1.629588452446299
Energy: 1.6464137202410525
Energy: 1.6518272301415113
Energy: 1.3374539169944994
Energy: 1.3606584044151417
Energy: 1.629437614176848
Energy: 1.6269825075010753
Energy: 1.7091953528732773
Energy: 1.3334806586438006
Energy: 1.3307442889761605
Energy: 1.3350564861164087
Energy: 1.6684063175136554
Energy: 1.647665257026797
Energy: 1.5292220711206845
Energy: 1.3420735937352088
Energy: 1.3271944047427857
Energy: 1.3397669881775145
Energy: 1.5500337374298578
Energy: 1.3488085258202795
Energy: 1.3499870141362313
Energy: 1.3383584721799913
Energy: 1.3334696166848816
Energy: 1.3476412588067859
Energy: 1.6532276246414264
Energy: 1.4966600867965996
Energy: 1.5048565279077049
Energy: 1.3394774085090098
Energy: 1.640526787638727
Energy: 1.5028313824719701
Energy: 1.506152098103057
Energy: 1.524129253509273
Energy: 1.5135889016334403
Energy: 1.5044112238102019
Energy: 1.349348429938964
Energy: 1.5017933904449619
Energy: 1.531597661142601
Energy: 1.3486098076187005
Energy: 1.5014514367899943
Energy: 1.4986719765992156
Energy: 1.3426311612725537
Energy: 1.5068003401434513
Energy: 1.5071372573418023
Energy: 1.3309934564932604
Energy: 1.5110531392641062
Energy: 1.5334519111496971
Energy: 1.355885917614764
Energy: 1.5012103316419254
Energy: 1.5033956886453754
Energy: 1.3321240194615973
Energy: 1.5069716199023948
Energy: 1.5290747214273894
Energy: 1.9303814921674358
Energy: 1.6127972494704867
Energy: 1.359893411105392
Energy: 1.356754963791938
Energy: 1.6044885561628799
Energy: 1.7813498486595043
Energy: 1.397815771915106
Energy: 1.5134777808728814
Energy: 1.3565366074234473
Energy: 1.322896318640911
Energy: 1.345389441047411
Energy: 1.5132605232590086
Energy: 1.348165326404131
Energy: 1.5040595366981995
Energy: 1.3396808242927165
Energy: 1.316412142770474
Energy: 1.3534578822223895
Energy: 1.5014444328555128
Energy: 1.6290675659860363
Energy: 1.659412003753512
Energy: 1.3944494675635488
Energy: 1.3378048382347563
Energy: 1.3399565849514983
Energy: 1.6539645243770589
Energy: 1.6411802696539919
Energy: 1.659106784842018
Energy: 1.6703597420438174
Energy: 1.3454877810929033
Energy: 1.6602585158210579
Energy: 1.6486579562174697
Energy: 1.3458966065039568
Energy: 1.7098836621934779
Energy: 1.6306667384764997
Energy: 1.6316226826958238
Energy: 1.7096843762674787
Energy: 1.3500916510102203
Energy: 1.32732937499347
Energy: 1.3432518365790602
Energy: 1.6704157273668903
Energy: 1.528146263971413
Energy: 1.528117628414155
Energy: 1.3305694589393344
Energy: 1.3250607620219221
Energy: 1.3381513666584441
Energy: 1.546024577585226
Energy: 1.3436951349383932
Energy: 1.3437377394791865
Energy: 1.3454921848270494
Energy: 1.3378779019440676
Energy: 1.3323718568048053
Energy: 1.674294227884376
Energy: 1.5246551982971066
Energy: 1.5377335732078716
Energy: 1.3315339785634737
Energy: 1.3375623512830879
Energy: 1.5090095297912887
Energy: 1.503953222018621
Energy: 1.328597308674652
Energy: 1.5004497452767365
Energy: 1.5222217234883002
Energy: 1.3549269794631473
Energy: 1.5035491580984792
Energy: 1.5540568663142058
Energy: 1.349372901677071
Energy: 1.5137538402270672
Energy: 1.5010980534743616
Energy: 1.347980517493194
Energy: 1.5263272633671945
Energy: 1.5044774987381098
Energy: 1.335324035017237
Energy: 1.5493489186628946
Energy: 1.5300150716401157
Energy: 1.3562883410719808
Energy: 1.5023226169161252
Energy: 1.4996526175665594
Energy: 1.3309754142722499
Energy: 1.5056311742917934
Energy: 1.4774436661417194
Energy: 1.9187107274248592
Energy: 1.506303309896393
Energy: 1.5724880539794412
Energy: 1.3474253372144036
Energy: 1.5056322545413572
Energy: 1.6763191633886896

minimum gb energy = 1.3099350017797238 eV
minimum distance =  2.17958931206384 Angstroms
sigma value = 43


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

Energy: 1.3918046238600699
Energy: 1.3740840067011468
Energy: 1.3660691848904825
Energy: 1.370214326431347
Energy: 1.3691841981620574
Energy: 1.728155468583428
Energy: 1.3938711796759151
Energy: 1.3636138696171571
Energy: 1.362777370680899
Energy: 1.36040828993134
Energy: 1.3870034740025396
Energy: 1.5123126006421492
Energy: 1.4992218975598244
Energy: 1.5436482318987046
Energy: 1.3648946829022512
Energy: 1.3561354634780756
Energy: 1.3755923851937408
Energy: 1.6426398049617164
Energy: 1.4955795434250023
Energy: 1.6461177718502362
Energy: 1.3809836980419485
Energy: 1.3822468065866687
Energy: 1.5310746933047528
Energy: 1.6458039564992328
Energy: 1.595876008261635
Energy: 1.6428787648744014
Energy: 1.6384732571670375
Energy: 1.3965201996763799
Energy: 1.6398911386613795
Energy: 1.6441949051821505
Energy: 1.3467874656500025
Energy: 1.3655006389442195
Energy: 1.7287808445957709
Energy: 1.4667867121278446
Energy: 1.5648918015794284
Energy: 1.358642920865364
Energy: 1.3302505258766535
Energy: 1.3351540563947242
Energy: 1.6390336885899592
Energy: 1.4357725237681314
Energy: 1.3322679388010437
Energy: 1.3336322373501233
Energy: 1.3314553859368734
Energy: 1.3345326946649294
Energy: 1.5268331658103667
Energy: 1.4334466767219358
Energy: 1.3338073237146506
Energy: 1.3328531450457026
Energy: 1.3488571535636313
Energy: 1.3629689422822782
Energy: 1.6443983027350206
Energy: 1.6458978835612441
Energy: 1.5636824655541446
Energy: 1.3512537714413413
Energy: 1.6990104091562939
Energy: 1.6437704097696249
Energy: 1.6387156496504454
Energy: 1.4311591423621772
Energy: 1.645200415266881
Energy: 1.6440792278555665
Energy: 1.80036520275755
Energy: 1.6751014766016288
Energy: 1.3809934591054018
Energy: 1.3769937667370566
Energy: 1.522949835443701
Energy: 1.5985536817787394
Energy: 1.5998384607114329
Energy: 1.670426759203096
Energy: 1.3644754039271527
Energy: 1.3634389806425167
Energy: 1.3692844367163028
Energy: 1.6442412192927804
Energy: 1.4977099370033224
Energy: 1.3617019132215267
Energy: 1.3629947219041834
Energy: 1.3615135255492226
Energy: 1.3633072838936593
Energy: 1.5619373195329358
Energy: 1.5988790423673949
Energy: 1.3784236796909994
Energy: 1.3785309805789652
Energy: 1.3778293125595913
Energy: 1.381319179506192
Energy: 1.5545779584565924
Energy: 1.5249160804027098
Energy: 1.5124598938496698
Energy: 1.513019380531119
Energy: 1.3646923544487146
Energy: 1.5124265837720106
Energy: 1.5135665955437425
Energy: 1.6023683383910574
Energy: 1.5572192369082978
Energy: 1.5132898709393225
Energy: 1.361821363106464
Energy: 1.5113968521653425
Energy: 1.5297528023410838
Energy: 1.5983539731312921
Energy: 1.5111016120089045
Energy: 1.532395212769735
Energy: 1.4966564258254795
Energy: 1.4722830677816272
Energy: 1.5084039600286205
Energy: 1.5979597523345592
Energy: 1.5122453188216984
Energy: 1.511333566096141
Energy: 1.3939268016543902
Energy: 1.5147949052720238
Energy: 1.5110858122500255
Energy: 1.3686951101903388
Energy: 1.3696947067898462
Energy: 1.811105516885796
Energy: 1.7490750252194782
Energy: 1.3690296178229036
Energy: 1.3717186660785443
Energy: 1.3593540840803153
Energy: 1.367869184723347
Energy: 1.513110873595976
Energy: 1.3936652326286079
Energy: 1.3636819089586674
Energy: 1.3622614564745434
Energy: 1.3555042682240834
Energy: 1.3647492084199648
Energy: 1.6607116367553605
Energy: 1.497348860525936
Energy: 1.3733836047494739
Energy: 1.3745853251535602
Energy: 1.3742905151850833
Energy: 1.3779097141245835
Energy: 1.6433379244718351
Energy: 1.5149554391149356
Energy: 1.6389304485082428
Energy: 1.3800787544305186
Energy: 1.3948638502413357
Energy: 1.6395536264720705
Energy: 1.6436977583971537
Energy: 1.3661018291249942
Energy: 1.6452485838043138
Energy: 1.6381549800116608
Energy: 1.7973604153973883
Energy: 1.5635886823085163
Energy: 1.3621397271487838
Energy: 1.3578782981428095
Energy: 1.5635004329596733
Energy: 1.7281310987482925
Energy: 1.4320805419002427
Energy: 1.526643221111184
Energy: 1.3345496202568647
Energy: 1.3326657669336421
Energy: 1.3338654364127343
Energy: 1.6736582107383873
Energy: 1.4317258681442058
Energy: 1.5266447453515668
Energy: 1.3412812869144821
Energy: 1.332168005946374
Energy: 1.3330672742814578
Energy: 1.7244352890244488
Energy: 1.591081504395442
Energy: 1.6929367164346085
Energy: 1.3603432124199166
Energy: 1.3494806196279436
Energy: 1.360576697817455
Energy: 1.6224132515994778
Energy: 1.5320230377452784
Energy: 1.6391643691718794
Energy: 1.6443990205170256
Energy: 1.3642972285723654
Energy: 1.646089292504252
Energy: 1.6400904636798834
Energy: 1.3772133879141168
Energy: 1.3791577610621668
Energy: 1.6520650077488117
Energy: 1.6018388861075405
Energy: 1.6731135413347595
Energy: 1.3771673799415736
Energy: 1.363038446283341
Energy: 1.382605565008944
Energy: 1.6599130416052699
Energy: 1.6006688449519801
Energy: 1.5450663104941855
Energy: 1.365995324107537
Energy: 1.3605427277413977
Energy: 1.3621019957584461
Energy: 1.5149239285669327
Energy: 1.5216916124181659
Energy: 1.3605676330220906
Energy: 1.3622010430718883
Energy: 1.3749050146104995
Energy: 1.3816783180048455
Energy: 1.5545533115608678
Energy: 1.4900679277114979
Energy: 1.3791385539272893
Energy: 1.3764933601917353
Energy: 1.5968735903548297
Energy: 1.513483668726432
Energy: 1.5113583704960245
Energy: 1.4307019474077083
Energy: 1.5118199289483194
Energy: 1.5132952148859122
Energy: 1.389826260461837
Energy: 1.5116906565261752
Energy: 1.5111070935329554
Energy: 1.6012590788588728
Energy: 1.5694014474276003
Energy: 1.5125357556907515
Energy: 1.4980874615469058
Energy: 1.5560558822233774
Energy: 1.512068588724813
Energy: 1.3623180568765092
Energy: 1.5113750698981587
Energy: 1.53032456206471
Energy: 1.3988735510674606
Energy: 1.5139163815981869
Energy: 1.5120746399164422
Energy: 1.3624225724704593
Energy: 1.5120891645513959
Energy: 1.5721567558617424

minimum gb energy = 1.3302505258766535 eV
minimum distance =  2.20521030894903 Angstroms
sigma value = 81


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

Energy: 1.332817920356954
Energy: 1.6069566761869043
Energy: 1.5487332997883332
Energy: 1.5399498882022886
Energy: 1.6059242509387932
Energy: 1.3595651345259994
Energy: 1.3787984580384285
Energy: 1.416626840007423
Energy: 1.365633854510622
Energy: 1.3669121174238288
Energy: 1.3668052501203733
Energy: 1.4156087877119392
Energy: 1.428629420336264
Energy: 1.4174380157222495
Energy: 1.3652082652010982
Energy: 1.365024548106459
Energy: 1.3660202732571447
Energy: 1.4152401531473617
Energy: 1.429051431408842
Energy: 1.4156840584254562
Energy: 1.367138697786032
Energy: 1.3625461370700855
Energy: 1.4160739300690877
Energy: 1.4164074916440708
Energy: 1.4245214851157815
Energy: 1.4152650631773753
Energy: 1.4161328527512747
Energy: 1.358945743009132
Energy: 1.4172366974137083
Energy: 1.4180508762595323
Energy: 1.3765989805774999
Energy: 1.5419941040945988
Energy: 1.359827402269543
Energy: 1.3403241950771405
Energy: 1.4157449132229987
Energy: 1.3688090299243612
Energy: 1.3786896644525597
Energy: 1.3663109152218538
Energy: 1.41876617822672
Energy: 1.3651981098997068
Energy: 1.5436583433709195
Energy: 1.3655045330360436
Energy: 1.3798065444801555
Energy: 1.3662918926606635
Energy: 1.4153368104876247
Energy: 1.4163079899061688
Energy: 1.4146376416679878
Energy: 1.3618263163179105
Energy: 1.545309491675439
Energy: 1.3644482056536513
Energy: 1.417400186198695
Energy: 1.4158620167276137
Energy: 1.4153459622458284
Energy: 1.3682230184968414
Energy: 1.3692075713509007
Energy: 1.414723449905029
Energy: 1.4150788843551736
Energy: 1.4144476849671737
Energy: 1.4186828813005838
Energy: 1.4187259494189697

minimum gb energy = 1.332817920356954 eV
minimum distance =  2.24763983284794 Angstroms
sigma value = 3


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

Energy: 1.614244461347769
Energy: 1.479117192638608
Energy: 1.4803160030661273
Energy: 1.5433438327919324
Energy: 1.4805146413489398
Energy: 1.7445734098535937
Energy: 1.504043886045736
Energy: 1.3414193004449861
Energy: 1.4805586138455107
Energy: 1.4774717361696403
Energy: 1.344284184101302
Energy: 1.5201273888628875
Energy: 1.4975609074493312
Energy: 1.412806180893112
Energy: 1.3422121138051692
Energy: 1.477785702355647
Energy: 1.3420419670880637
Energy: 1.4770699020544922
Energy: 1.4749666975480078
Energy: 1.5071173476702144
Energy: 1.3545202225450845
Energy: 1.4984397656757378
Energy: 1.4919288143066527
Energy: 1.5023424043819738
Energy: 1.4772584395527426
Energy: 1.5359442975693685
Energy: 1.6102524182030096
Energy: 1.6928886159958634
Energy: 1.5324977226655516
Energy: 1.4763112619198127
Energy: 1.592945301602311
Energy: 1.4938975867665159
Energy: 1.5795792299080769
Energy: 1.5693653541348234
Energy: 1.492482674260191
Energy: 1.5483940989133664
Energy: 1.6086674380075123
Energy: 1.5277531559438413
Energy: 1.5331435794566233
Energy: 1.4965585786901912
Energy: 1.6717001760657366
Energy: 1.5028959943405584
Energy: 1.6098464826446937
Energy: 1.5038147466271305
Energy: 1.3536282519631513
Energy: 1.351270077656112
Energy: 1.3448004659038442
Energy: 1.5089682139384775
Energy: 1.6937247162845481
Energy: 1.3455940609753791
Energy: 1.3414500744821252
Energy: 1.3204342559699724
Energy: 1.342740887967348
Energy: 1.7014822292508387
Energy: 1.6950920798722433
Energy: 1.3399905759361528
Energy: 1.3506818455117675
Energy: 1.3229486595828426
Energy: 1.3456349234603047
Energy: 1.602758820914572
Energy: 1.5905824908081012
Energy: 1.5830421391750875
Energy: 1.573830756596931
Energy: 1.3210473130635723
Energy: 1.5985670991738141
Energy: 1.707743080718084
Energy: 1.694015486547951
Energy: 1.6514407168101262
Energy: 1.3451128479540404
Energy: 1.7222712218248386
Energy: 1.7038958336112529
Energy: 1.6165631054541236
Energy: 1.3169951491050995
Energy: 1.3466778005637112
Energy: 1.3470888255889093
Energy: 1.7226730434223696
Energy: 1.3416011528727327
Energy: 1.350015673047406
Energy: 1.314526421503244
Energy: 1.3440007558340614
Energy: 1.3407789510983492
Energy: 1.6939549170878092
Energy: 1.3411058452437514
Energy: 1.332864569544198
Energy: 1.337490415060976
Energy: 1.341541999944537
Energy: 1.3444310492579175
Energy: 1.6812570664259066
Energy: 1.4800630254185736
Energy: 1.3541041863016792
Energy: 1.3179099559456744
Energy: 1.559697205195276
Energy: 1.7168956847085262
Energy: 1.681144452669782
Energy: 1.5570019161186381
Energy: 1.3528655068051474
Energy: 1.6532107862789824
Energy: 1.4791705292266488
Energy: 1.6998284065176077
Energy: 1.5921975766594652
Energy: 1.5699825380066317
Energy: 1.3223664162231203
Energy: 1.724706695081447
Energy: 1.481410746782711
Energy: 1.4765725300799932
Energy: 1.4963568277999943
Energy: 1.340880875291212
Energy: 1.6530033771833572
Energy: 1.4973537120983587
Energy: 1.4939832094163972
Energy: 1.504714014426364
Energy: 1.5013096717912195
Energy: 1.504436215189151
Energy: 1.5161829683701114
Energy: 1.4743221457312787
Energy: 1.3450253527658316
Energy: 1.3472129633282757
Energy: 1.479815763084057
Energy: 1.3412084187483317
Energy: 1.5027939808989266
Energy: 1.4733148441225181
Energy: 1.5053050496099987
Energy: 1.5245496440637878
Energy: 1.4961526073990947
Energy: 1.5046876155297104
Energy: 1.5103276465875306
Energy: 1.4759733640704897
Energy: 1.4771461592777269
Energy: 1.5656259508048525
Energy: 1.5140792145549284
Energy: 1.4839677886596494
Energy: 1.4898193043893897
Energy: 1.6804276369716333
Energy: 1.478139646401956
Energy: 1.6110054365005917
Energy: 1.6927210750563977
Energy: 1.6756811254256667
Energy: 1.69943569750402
Energy: 1.6134037061374846
Energy: 1.7237161018247142
Energy: 1.3548886571561745
Energy: 1.351184740294456
Energy: 1.5866487583723348
Energy: 1.6633227863650333
Energy: 1.6800830641282396
Energy: 1.480963993563571
Energy: 1.3420840892277606
Energy: 1.3446510740817477
Energy: 1.3431474136096244
Energy: 1.6992494028149725
Energy: 1.694601600561825
Energy: 1.3415483745413501
Energy: 1.3556630992471632
Energy: 1.340458930791811
Energy: 1.3421452843768777
Energy: 1.4490198623946406
Energy: 1.5903320269162344
Energy: 1.5829068426728052
Energy: 1.3553000487989055
Energy: 1.3445719331825932
Energy: 1.517079548486947
Energy: 1.7127742135117348
Energy: 1.694153633634814
Energy: 1.517118364516137
Energy: 1.5178601135101193
Energy: 1.722838718855167
Energy: 1.516840340179173
Energy: 1.602639425927176
Energy: 1.3444648538915327
Energy: 1.3476285725187112
Energy: 1.7535423419209828
Energy: 1.3432933235803777
Energy: 1.5675265884948788
Energy: 1.3542751683173033
Energy: 1.3224690795318472
Energy: 1.3416311398576601
Energy: 1.3456487866809004
Energy: 1.694593392394537
Energy: 1.338988123144214
Energy: 1.3360071388921428
Energy: 1.319881554366515
Energy: 1.342253981659099
Energy: 1.4809176241248945
Energy: 1.686304913084139
Energy: 1.3418611620529486
Energy: 1.3388639404154605
Energy: 1.3377705783458158
Energy: 1.4946076816069152
Energy: 1.715761753618988
Energy: 1.7169875021028582
Energy: 1.5553124926908588
Energy: 1.356219284766026
Energy: 1.6476574982689163
Energy: 1.6109463367699337
Energy: 1.4942546536706127
Energy: 1.6814336190732786
Energy: 1.3405955459175765
Energy: 1.6527481585880501

minimum gb energy = 1.314526421503244 eV
minimum distance =  2.22610628977509 Angstroms
sigma value = 67


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

Energy: 1.7823570805621225
Energy: 1.8250096824440714
Energy: 1.583794822489336
Energy: 1.4951796481472244
Energy: 1.8245578943120084
Energy: 1.8230167001324302
Energy: 1.4549369588911678
Energy: 1.4411558444053392
Energy: 1.5108474943577959
Energy: 1.4623130780732303
Energy: 1.4184673670900325
Energy: 1.5189100529875745
Energy: 1.4714149152161011
Energy: 1.3305354966888787
Energy: 1.5053427264822787
Energy: 1.4587738457894546
Energy: 1.4207644559034887
Energy: 1.4558223144751392
Energy: 1.4601263929823618
Energy: 1.491522628649691
Energy: 1.3550068380916926
Energy: 1.4531176606251281
Energy: 1.347943810409179
Energy: 1.4898574923506107
Energy: 1.475189483453256
Energy: 1.5389702995075338
Energy: 1.6585516324777445
Energy: 1.4549886545112851
Energy: 1.5173023758126942
Energy: 1.4890407064679902
Energy: 1.5064933967207947
Energy: 1.5432671886328606
Energy: 1.7819154293998285
Energy: 1.5193239928757458
Energy: 1.746590077144001
Energy: 1.5343142710387399
Energy: 1.6407700906804759
Energy: 1.5260142138658366
Energy: 1.5460685034618735
Energy: 1.2902249153807477
Energy: 1.5318497640762059
Energy: 1.5316430224203674
Energy: 1.6419244146476801
Energy: 1.5265228086589266
Energy: 1.3396931067691447
Energy: 1.2902006925433471
Energy: 1.320210152798496
Energy: 1.7186732075875706
Energy: 1.6506113370498905
Energy: 1.2956363421824204
Energy: 1.2854587179057426
Energy: 1.2710670672023756
Energy: 1.291954721981947
Energy: 1.519509757746601
Energy: 1.6667631897236337
Energy: 1.4496496848412634
Energy: 1.3237673470923472
Energy: 1.2916699253190003
Energy: 1.3375098671044188
Energy: 1.5665393719767189
Energy: 1.6662483129445431
Energy: 1.7931319728188284
Energy: 1.5858714600758541
Energy: 1.293023377959347
Energy: 1.7002162823002613
Energy: 1.777173032793681
Energy: 1.6531209075980122
Energy: 1.7046120529199054
Energy: 1.2676132214563582
Energy: 1.659546297373569
Energy: 1.4222260577466241
Energy: 1.6505009949901732
Energy: 1.4542027743932202
Energy: 1.4505755392891906
Energy: 1.268082887982356
Energy: 1.631486422303228
Energy: 1.4432427982823015
Energy: 1.4797333365497016
Energy: 1.460042093276236
Energy: 1.498486713201582
Energy: 1.3382840488953163
Energy: 1.4552389085690745
Energy: 1.4196002753857022
Energy: 1.4919194271937288
Energy: 1.4518181303103275
Energy: 1.443661807877996
Energy: 1.5074420201119216
Energy: 1.4714839118225316
Energy: 1.447355795874048
Energy: 1.4242144358457165
Energy: 1.4561352915652825
Energy: 1.4413539391177965
Energy: 1.5110929318768018
Energy: 1.4577885338398295
Energy: 1.5229746075919102
Energy: 1.361225893817061
Energy: 1.6646717425768316
Energy: 1.2688429009063684
Energy: 1.479356614927818
Energy: 1.4724549638517102
Energy: 1.4862255964258395
Energy: 1.547663858695568
Energy: 1.6661710898552096
Energy: 1.4456359640004428
Energy: 1.5164493312191942
Energy: 1.666848865543618
Energy: 1.5259238411668998
Energy: 1.270407627842694
Energy: 1.2757546039413399
Energy: 1.329083160195673
Energy: 1.7097106403690199
Energy: 1.7162616742109602
Energy: 1.7805070625176866
Energy: 1.343815430598456
Energy: 1.2865482800083996
Energy: 1.2906311081435415
Energy: 1.3468352055760562
Energy: 1.6646151382973
Energy: 1.2956488245157212
Energy: 1.2892279894518268
Energy: 1.270728106755846
Energy: 1.2864275346071359
Energy: 1.2936340991352464
Energy: 1.653920880346215
Energy: 1.2977636965298178
Energy: 1.2702457148057584
Energy: 1.297441314246126
Energy: 1.3388839176222211
Energy: 1.7914450884518975
Energy: 1.4586672268837158
Energy: 1.693745661147807
Energy: 1.3321423055859851
Energy: 1.6346449563648129
Energy: 1.45074654421505
Energy: 1.5379512438378513
Energy: 1.6508208809114642
Energy: 1.4452895871249443
Energy: 1.4425587269801388

minimum gb energy = 1.2676132214563582 eV
minimum distance =  2.22620864210158 Angstroms
sigma value = 33


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

Energy: 1.778604590208315
Energy: 1.720883037684277
Energy: 1.5866347007056971
Energy: 1.5834531270077303
Energy: 1.5951502588753785
Energy: 1.8452936780704237
Energy: 1.333192370214064
Energy: 1.461242677766579
Energy: 1.6421630150800466
Energy: 1.54031102017257
Energy: 1.4618233922721542
Energy: 1.4588073314197598
Energy: 1.339576140160001
Energy: 1.357213347686962
Energy: 1.5686517104107889
Energy: 1.4649429303983001
Energy: 1.456417899101074
Energy: 1.3330881487001844
Energy: 1.323818855100051
Energy: 1.3537346588566244
Energy: 1.3500809652111425
Energy: 1.5387193086596382
Energy: 1.3265811189026122
Energy: 1.3476187959736237
Energy: 1.3391589193982223
Energy: 1.3263246307679606
Energy: 1.4617861126799936
Energy: 1.4678411771502415
Energy: 1.3235989621938566
Energy: 1.3476920024289154
Energy: 1.3366425784823233
Energy: 1.4854991637656905
Energy: 1.6688214716131693
Energy: 1.809410964818924
Energy: 1.7966388301788752
Energy: 1.3542812792792231
Energy: 1.5866130644371998
Energy: 1.3510100216081637
Energy: 1.678264511928389
Energy: 1.4709563455630812
Energy: 1.6423147743586404
Energy: 1.422353348034261
Energy: 1.5867946968191216
Energy: 1.2821673467330919
Energy: 1.3265987095562712
Energy: 1.3371294961274007
Energy: 1.3230144629393867
Energy: 1.4650608739442976
Energy: 1.5170385695684083
Energy: 1.3230608732027145
Energy: 1.358265856888039
Energy: 1.3221181472479258
Energy: 1.3639015957614653
Energy: 1.5068275550808274
Energy: 1.5304917978297465
Energy: 1.4194707815160403
Energy: 1.3610242331834874
Energy: 1.3256114007942286
Energy: 1.327546535267666
Energy: 1.5697543415983104
Energy: 1.5322553449016532
Energy: 1.6153413849550635
Energy: 1.3421549530302865
Energy: 1.3624183087219364
Energy: 1.4189740108846307
Energy: 1.6210216711686907
Energy: 1.538415924961643
Energy: 1.5340296778624356
Energy: 1.233484688866293
Energy: 1.4715681788533848
Energy: 1.3257245129663606
Energy: 1.5312197725770447
Energy: 1.6636699182303283
Energy: 1.733882009695609
Energy: 1.2282698621351602
Energy: 1.6328039539982664
Energy: 1.2454059497849184
Energy: 1.601848156618042
Energy: 1.6375024428149312
Energy: 1.8140145565035235
Energy: 1.2369152188986785
Energy: 1.2343613558633595
Energy: 1.328902162289899
Energy: 1.7658083892006056
Energy: 1.6390094525019065
Energy: 1.3450367551287552
Energy: 1.239714713421379
Energy: 1.2347500296949134
Energy: 1.2386681313299215
Energy: 1.54774525595362
Energy: 1.60377383199639
Energy: 1.2695601721867602
Energy: 1.232230948373262
Energy: 1.2236727535698466
Energy: 1.2468930750651261
Energy: 1.6769163270424654
Energy: 1.5299630258786017
Energy: 1.6356999674681783
Energy: 1.257761005720549
Energy: 1.2293449079194994
Energy: 1.260558905353704
Energy: 1.6210102431144515
Energy: 1.6498557926185329
Energy: 1.4587733636739917
Energy: 1.4554268839422981
Energy: 1.3661308392880636
Energy: 1.6375936399749944
Energy: 1.5320525243373224
Energy: 1.5675324832565791
Energy: 1.5763740166195923
Energy: 1.433873942937741
Energy: 1.852169295655679
Energy: 1.7015273200913095
Energy: 1.5723852331547776
Energy: 1.5369141578847512
Energy: 1.4583394252104243
Energy: 1.3992838789556796
Energy: 1.488365366354344
Energy: 1.4650538165942815
Energy: 1.5315798563439669
Energy: 1.4178798122180336
Energy: 1.5687417758906606
Energy: 1.3262451113512777
Energy: 1.3409593596926235
Energy: 1.4750672471751054
Energy: 1.6148708401966683
Energy: 1.5396946788871293
Energy: 1.3530701422377718
Energy: 1.3494494520825424
Energy: 1.3499139605710495
Energy: 1.3647700051366523
Energy: 1.5309427177987982
Energy: 1.4687455569634014
Energy: 1.379436616278822
Energy: 1.3362261076981115
Energy: 1.3371946938410662
Energy: 1.3895171695556354
Energy: 1.6327541272232338
Energy: 1.65840572149633
Energy: 1.7995849374515516
Energy: 1.3498043604438394
Energy: 1.3422540567198435
Energy: 1.4998075245180502
Energy: 1.8077687347428173
Energy: 1.4667439251131686
Energy: 1.660147447831654
Energy: 1.3265172970826304
Energy: 1.4933997031031214
Energy: 1.3783174933260784
Energy: 1.6717344507931866
Energy: 1.334857422107017
Energy: 1.3505154533410475
Energy: 1.8459160602259066
Energy: 1.6360565832601286
Energy: 1.26823308818325
Energy: 1.334808746855552
Energy: 1.323707819983184
Energy: 1.352699460926913
Energy: 1.325388402850142
Energy: 1.5605298279601043
Energy: 1.3573421984480087
Energy: 1.3479969527356033
Energy: 1.3230176982329673
Energy: 1.3256754178354109
Energy: 1.3505044809840054
Energy: 1.5320845335848763
Energy: 1.3427721385823888
Energy: 1.3537889036489874
Energy: 1.3368485817469045
Energy: 1.3544136780517164
Energy: 1.6178822015106291
Energy: 1.627557662984369
Energy: 1.617208779194277
Energy: 1.3355727055693059
Energy: 1.538576278606769
Energy: 1.4114656688941594
Energy: 1.5319443973698963
Energy: 1.532439619672051
Energy: 1.5315170787037302
Energy: 1.320087636961099
Energy: 1.5117298328063686
Energy: 1.2474410977624935
Energy: 1.6021498940930212
Energy: 1.6636231185358576
Energy: 1.7289224128072378
Energy: 1.3417457344174009
Energy: 1.3717114295016832
Energy: 1.48891344083577
Energy: 1.620075966916004
Energy: 1.6372759655945435
Energy: 1.6162159466221884
Energy: 1.3324348539362751
Energy: 1.2277636534142
Energy: 1.2492176949664122
Energy: 1.4181943871961837
Energy: 1.6364456160817058
Energy: 1.3375818669202524
Energy: 1.2380210970514827
Energy: 1.2253607215050293
Energy: 1.231617682783778
Energy: 1.2298528216946583
Energy: 1.6037271953929413
Energy: 1.2406435857379938
Energy: 1.226873643391231
Energy: 1.2285073518853091
Energy: 1.2626749597671223
Energy: 1.5717750270688078
Energy: 1.559815587183685
Energy: 1.355108015887188
Energy: 1.2441859802872695
Energy: 1.3686942378608522
Energy: 1.6359328527500674
Energy: 1.622655802453279
Energy: 1.6651410408064498
Energy: 1.4592464219954084
Energy: 1.351107148741838
Energy: 1.5736593015800773
Energy: 1.3806748892664835
Energy: 1.6248746542800068
Energy: 1.6583799628598368
Energy: 1.7012737148958996
Energy: 1.8523392317786722

minimum gb energy = 1.2236727535698466 eV
minimum distance =  2.22137702662155 Angstroms
sigma value = 41


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

Energy: 1.8886951709707
Energy: 1.7456761139460684
Energy: 1.3252818827092137
Energy: 1.3363992607014936
Energy: 1.3241462218881077
Energy: 1.7334735144733875
Energy: 1.3180193972333998
Energy: 1.0936195211866713
Energy: 1.09513554988076
Energy: 1.3713713635554885
Energy: 1.0903975845580103
Energy: 1.348815830619497
Energy: 1.3225535376334736
Energy: 1.0899207476395334
Energy: 1.0906810975611265
Energy: 1.0397491951645284
Energy: 1.093429863213583
Energy: 1.3587106621074527
Energy: 1.3635569101971827
Energy: 1.4129318176835308
Energy: 1.095346349129794
Energy: 1.3259798568249006
Energy: 1.0950341913934405
Energy: 1.4024194829181973
Energy: 1.3236086967586635
Energy: 1.3655411837150193
Energy: 1.4620615065336842
Energy: 1.3289261206972118
Energy: 1.449250792366635
Energy: 1.3387996507892652
Energy: 1.3235525068273126
Energy: 1.3352814312534997
Energy: 1.7113173722359698
Energy: 1.3906344899936356
Energy: 1.7088766508694941
Energy: 1.3357701763871872
Energy: 1.612225638744341
Energy: 1.412125895857913
Energy: 1.0909140008905096
Energy: 1.3189611039135916
Energy: 1.4412850794925518
Energy: 1.68625948170326
Energy: 1.6409742481262672
Energy: 1.4092216720301143
Energy: 1.3471888334981357
Energy: 1.3207758056358052
Energy: 1.1010214640728497
Energy: 1.7439301806788543
Energy: 1.3203212400716804
Energy: 1.099828267450608
Energy: 1.0897129333734286
Energy: 1.0390052808419852
Energy: 1.0968526245899426
Energy: 1.343902373223722
Energy: 1.3301059707539018
Energy: 1.0979448640010703
Energy: 1.0893729791749558
Energy: 1.3705060159852747
Energy: 1.0976377994503488
Energy: 1.3433966373354296
Energy: 1.3278078421594959
Energy: 1.412700299660069
Energy: 1.0899412074931527
Energy: 1.3238675708964303
Energy: 1.4046290904807432
Energy: 1.4023857815299101
Energy: 1.319990830813338
Energy: 1.340615603432987
Energy: 1.1011607176808198
Energy: 1.3260137219249333
Energy: 1.0936033628260444
Energy: 1.332623621674366
Energy: 1.3152600176868394
Energy: 1.3403493997422635
Energy: 1.0996755133411495
Energy: 1.3790133393342234
Energy: 1.0960562530861608
Energy: 1.3440591912836242
Energy: 1.6548225826455787
Energy: 1.4182018162737393
Energy: 1.3392474706160435
Energy: 1.322222331043144
Energy: 1.3441061079094538
Energy: 1.7359070560415126

minimum gb energy = 1.0390052808419852 eV
minimum distance =  2.22146600747258 Angstroms
sigma value = 11


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

Energy: 1.781691684523397
Energy: 1.5502192462703075
Energy: 1.4747299358004007
Energy: 1.4691461514448372
Energy: 1.4374887473608842
Energy: 1.9011670109173675
Energy: 1.268576690322567
Energy: 1.4724124733382842
Energy: 1.4287698515309657
Energy: 1.4804283607884925
Energy: 1.3809424297863828
Energy: 1.2875413379900524
Energy: 1.270700750648278
Energy: 1.2794968162808085
Energy: 1.430538129108644
Energy: 1.5505156182484685
Energy: 1.4312634593912448
Energy: 1.2729136104179308
Energy: 1.267932652662457
Energy: 1.2760299685200072
Energy: 1.278582425537056
Energy: 1.5317907802655637
Energy: 1.280749924222512
Energy: 1.2821380178657686
Energy: 1.2666791501627093
Energy: 1.2945047246004453
Energy: 1.282415543321537
Energy: 1.529950551740555
Energy: 1.2791824815112864
Energy: 1.2746965605245404
Energy: 1.2679504531510606
Energy: 1.2806087487823514
Energy: 1.729023277789122
Energy: 1.6226037458964224
Energy: 1.730873452782468
Energy: 1.269152657723381
Energy: 1.367118573693738
Energy: 1.3796339736159544
Energy: 1.5529502343334314
Energy: 1.5497619199593304
Energy: 1.6092409752863692
Energy: 1.4171871971202863
Energy: 1.6277958597537838
Energy: 1.415557984786665
Energy: 1.438954202276497
Energy: 1.4388588781273863
Energy: 1.4389992072342743
Energy: 1.722557875560277
Energy: 1.2712839537591751
Energy: 1.2798694125568146
Energy: 1.4217969694102521
Energy: 1.7454689514086976
Energy: 1.3826698618154563
Energy: 1.2700696401941884
Energy: 1.365616820174489
Energy: 1.383336066557704
Energy: 1.3805625493082045
Energy: 1.7454437870009067
Energy: 1.3861354662406704
Energy: 1.3727670681453845
Energy: 1.3804368368676625
Energy: 1.4139276093346962
Energy: 1.3089485364486142
Energy: 1.416772737540309
Energy: 1.3881709437488796
Energy: 1.4133049585102995
Energy: 1.3798693993301305
Energy: 1.3080610700182407
Energy: 1.4131426943190621
Energy: 1.380506950826195
Energy: 1.388442506648001
Energy: 1.4339722451247512
Energy: 1.4232316299398162
Energy: 1.415716535343796
Energy: 1.3993072723651818
Energy: 1.3766167016658548
Energy: 1.4134817994131945
Energy: 1.4158816814939987
Energy: 1.6075878940583843
Energy: 1.3911001499594873
Energy: 1.3864799738614442
Energy: 1.2624583195292998
Energy: 1.3944713816100551
Energy: 1.3827489984107835
Energy: 1.515008749316034
Energy: 1.3806849933007195
Energy: 1.2805971757177028
Energy: 1.266616978544186
Energy: 1.4320647978594947
Energy: 1.5803908443961603
Energy: 1.4395826861158925
Energy: 1.4427377634661527
Energy: 1.47545822159295
Energy: 1.9047331323767909
Energy: 1.5355330366375382
Energy: 1.4394588123022334
Energy: 1.5287953469889912
Energy: 1.4253315355712393
Energy: 1.4651829514715549
Energy: 1.2546400614073343
Energy: 1.468219439650247
Energy: 1.5235009696017043
Energy: 1.472222173547317
Energy: 1.4317328909668694
Energy: 1.2737240917809236
Energy: 1.278764518034015
Energy: 1.2777036224660572
Energy: 1.5488157481926454
Energy: 1.5278747634052638
Energy: 1.2846836994274031
Energy: 1.2839952887710417
Energy: 1.2672553000845508
Energy: 1.2802531064159164
Energy: 1.453097829691162
Energy: 1.4802982409843368
Energy: 1.2775027528619536
Energy: 1.2824168856262979
Energy: 1.2701909165511645
Energy: 1.2804061761595067
Energy: 1.3806586963659089
Energy: 1.6238143920573536
Energy: 1.7283748122680982
Energy: 1.2728665065434377
Energy: 1.2688977481037529
Energy: 1.2775158484820874
Energy: 1.7316447917435096
Energy: 1.5157726018673643
Energy: 1.5810910260675075
Energy: 1.381280671401568
Energy: 1.4242645390303001
Energy: 1.3806095169082941
Energy: 1.523065358447607
Energy: 1.4375979501981369
Energy: 1.438672539443888
Energy: 1.7231557849291048
Energy: 1.6144986349259998
Energy: 1.5385890236715667
Energy: 1.4411645511561013
Energy: 1.4711067736111585
Energy: 1.3820859984611165
Energy: 1.274304534862013
Energy: 1.2783293373572269
Energy: 1.3821318201966089
Energy: 1.2720133744429567
Energy: 1.7442805722948398
Energy: 1.3822861763869985
Energy: 1.3712781562479335
Energy: 1.3671711409540117
Energy: 1.3807579654760282
Energy: 1.272185984287705
Energy: 1.366719772481426
Energy: 1.3905339855661636
Energy: 1.4141241934436004
Energy: 1.3817104921770567
Energy: 1.4138882183322765
Energy: 1.4191036465457103
Energy: 1.3775888294933851
Energy: 1.4405187941064779
Energy: 1.3798223671644354
Energy: 1.3819251864849962
Energy: 1.3092975788110828
Energy: 1.412099236627172
Energy: 1.377387479753899
Energy: 1.413969681309746
Energy: 1.3078861410099756
Energy: 1.4167197516535022
Energy: 1.4226811244580735
Energy: 1.4317870816849045
Energy: 1.3675102729376722
Energy: 1.3807388704219679
Energy: 1.3833161386809116
Energy: 1.6261668866941403
Energy: 1.3816859368260694
Energy: 1.3728447657839933
Energy: 1.2808868622537288
Energy: 1.4313293253521266
Energy: 1.4268323562112126
Energy: 1.6414501366771783
Energy: 1.3841654518675743
Energy: 1.279515035638336
Energy: 1.6843172078374276
Energy: 1.602354369256266
Energy: 1.4404732603933166
Energy: 1.5559141096510616
Energy: 1.4217191475427204
Energy: 1.475773927655942

minimum gb energy = 1.2546400614073343 eV
minimum distance =  2.17928966900042 Angstroms
sigma value = 57


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

Energy: 2.1981767917989656
Energy: 1.866238621691406
Energy: 1.4571739563059551
Energy: 1.4479542043346947
Energy: 1.5381333977030547
Energy: 1.923521038064526
Energy: 1.3882694369316628
Energy: 1.3651363915818207
Energy: 1.363818649712444
Energy: 1.3177527174741674
Energy: 1.3776330313412941
Energy: 1.3644690538041124
Energy: 1.310461566015515
Energy: 1.3281983114356861
Energy: 1.3439655942565598
Energy: 1.3294998525258843
Energy: 1.3454486816144153
Energy: 1.3486328101215033
Energy: 1.3155352988258635
Energy: 1.3473778378036403
Energy: 1.4858482065879888
Energy: 1.3178957587462428
Energy: 1.3399712952649476
Energy: 1.3265688078769937
Energy: 1.3119197220673176
Energy: 1.3300315373195306
Energy: 1.3780398334543107
Energy: 1.317521722025893
Energy: 1.3558134484063766
Energy: 1.3264140542813312
Energy: 1.3163371381026427
Energy: 1.3469531309989484
Energy: 1.630529923468411
Energy: 1.3169050723646114
Energy: 1.634736335334489
Energy: 1.317489731786682
Energy: 1.3780729880614238
Energy: 1.3744947587296812
Energy: 1.3313620315676717
Energy: 1.311312829301072
Energy: 1.3723492945796534
Energy: 1.3458068279727113
Energy: 1.3117843655298147
Energy: 1.3440639112571242
Energy: 1.3122242440638099
Energy: 1.3182492145478026
Energy: 1.319639801788014
Energy: 1.362285952963038
Energy: 1.3164316894198198
Energy: 1.3294138673218574
Energy: 1.665179745739695
Energy: 1.298349265276322
Energy: 1.6278021957392972
Energy: 1.3117755137719895
Energy: 1.3101912287645219
Energy: 1.3372857035888013
Energy: 1.3285899627275681
Energy: 1.299836695617647
Energy: 1.3745712318567727
Energy: 1.311863148508078
Energy: 1.298490141609695
Energy: 1.3433191671811537
Energy: 1.3661090410484447
Energy: 1.3171649151591722
Energy: 1.3603210027170776
Energy: 1.346454061239819
Energy: 1.2980105554784735
Energy: 1.3768936488050219
Energy: 1.3278273836484664
Energy: 1.3142356929733936
Energy: 1.3539228564835544
Energy: 1.3754724952393549
Energy: 1.3123028180191874
Energy: 1.3407171171667378
Energy: 1.339120796537285
Energy: 1.3268265498891056
Energy: 1.340358635542125
Energy: 1.3230139480620633
Energy: 1.316503472026219
Energy: 1.3475849093727934
Energy: 1.3138411410119195
Energy: 1.31353552639025
Energy: 1.3612063055285821
Energy: 1.6286052034150011
Energy: 1.3164912708926158
Energy: 1.378574189774589
Energy: 1.4844103314322652
Energy: 1.3168349611868249
Energy: 1.3637698994362968
Energy: 1.3210756939438055
Energy: 1.5247760401929478
Energy: 1.3267601164811602
Energy: 1.3290448656264646
Energy: 1.6198472921136937
Energy: 1.329284954256223
Energy: 1.5389110959689765
Energy: 1.2993417930328797
Energy: 1.3682844307177646
Energy: 1.3628880102314067
Energy: 1.3108172079141316
Energy: 1.3771672813839462
Energy: 1.3212650547082756

minimum gb energy = 1.2980105554784735 eV
minimum distance =  2.23591050747228 Angstroms
sigma value = 9


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

Energy: 2.385331474297692
Energy: 1.4916362573973463
Energy: 1.4623832888798238
Energy: 1.4632380315005984
Energy: 1.462933699952451
Energy: 2.003651901260913
Energy: 1.3426435713038958
Energy: 1.446271077999781
Energy: 1.4452336156738748
Energy: 1.380819525943402
Energy: 1.5189155138822659
Energy: 1.4145128932681956
Energy: 1.3437399932396512
Energy: 1.3434630898772073
Energy: 1.4282172235275192
Energy: 1.4293088231353563
Energy: 1.444614956699346
Energy: 1.3419840879613274
Energy: 1.3809237900684241
Energy: 1.437555730300264
Energy: 1.3710048411119484
Energy: 1.3481882540069294
Energy: 1.4329329507461923
Energy: 1.3677911063246684
Energy: 1.3699415309322205
Energy: 1.3836971241014788
Energy: 1.3707852298680463
Energy: 1.3715607370734604
Energy: 1.3676041133223762
Energy: 1.3838885681215223
Energy: 1.3490681457752742
Energy: 1.3691191289475813
Energy: 1.3837542984403204
Energy: 1.3752217646881497
Energy: 1.3974026455910096
Energy: 1.3660808117480894
Energy: 1.378965813681194
Energy: 1.4481886256153846
Energy: 1.3675843722977679
Energy: 1.3783604896711625
Energy: 1.368500436373668
Energy: 1.4084165882591986
Energy: 1.379416908158775
Energy: 1.4994046355044381
Energy: 1.3429641652822901
Energy: 1.3422453249095951
Energy: 1.342572075102757
Energy: 1.504302842451984
Energy: 1.348528027404879
Energy: 1.3712738637076058
Energy: 1.5024929613072961
Energy: 1.3771694059908803
Energy: 1.4959597625016363
Energy: 1.3511920133957158
Energy: 1.342688613640068
Energy: 1.3438567948250872
Energy: 1.5027381740910841
Energy: 1.378320489760477
Energy: 1.4966539948871451
Energy: 1.415717794514489
Energy: 1.33812681625894
Energy: 1.4994593551678164
Energy: 1.3538459766467739
Energy: 1.3424602399516694
Energy: 1.361413285561379
Energy: 1.428170754894113
Energy: 1.3396859740767957
Energy: 1.502983851852276
Energy: 1.3712756285526424
Energy: 1.3902399849990748
Energy: 1.3958632937381195
Energy: 1.425811933936343
Energy: 1.341670502635089
Energy: 1.3424530895557458
Energy: 1.5039361320654774
Energy: 1.3980159851969327
Energy: 1.4511186263653462
Energy: 1.3431339908116149
Energy: 1.34206695425407
Energy: 1.3696549650606535
Energy: 1.4539087121565082
Energy: 1.3906468013765427
Energy: 1.4612396593006303
Energy: 1.3814698294030483
Energy: 1.369496017553986
Energy: 1.3860179586147132
Energy: 1.365022199480377
Energy: 1.3478581776534684
Energy: 1.3665061491509103
Energy: 1.385593945468805
Energy: 1.3694158785439599
Energy: 1.3691596264235846
Energy: 1.381339787190247
Energy: 1.3841989841421214
Energy: 1.3928910483185604
Energy: 1.3677088629162917
Energy: 1.3499133017275697
Energy: 1.408561995235094
Energy: 1.3675657454001549
Energy: 1.3663618675499225
Energy: 1.4441150673628849
Energy: 1.417937626339233
Energy: 1.3829655020697391
Energy: 1.4564976918851869
Energy: 1.343443500668937
Energy: 1.34246528131473
Energy: 1.3465638749077122
Energy: 1.7295036461637847
Energy: 1.387508837387586
Energy: 1.403311116888268
Energy: 1.4830564099686772
Energy: 1.3492761513534264
Energy: 1.516490238664041
Energy: 1.3700613855264316
Energy: 1.3490879755464862
Energy: 1.3496187513788096
Energy: 1.4094141264233688
Energy: 1.7169753482031358
Energy: 1.3567108919543391
Energy: 1.34959031319103
Energy: 1.338266919874644
Energy: 1.5109564611754753
Energy: 1.3683393128492525
Energy: 1.3432334293421502
Energy: 1.4474455137748308
Energy: 1.3693043568360765

minimum gb energy = 1.33812681625894 eV
minimum distance =  2.23604192038614 Angstroms
sigma value = 27


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

Energy: 1.618021908303839
Energy: 1.4790976720351126
Energy: 1.4768620637540342
Energy: 1.4746725008022732
Energy: 1.476744937540592
Energy: 1.773617963592698
Energy: 1.358118930884734
Energy: 1.5102759776406351
Energy: 1.379849597072559
Energy: 1.370141313978211
Energy: 1.583705679355377
Energy: 1.4259624870492607
Energy: 1.3580097829046065
Energy: 1.3673808129020102
Energy: 1.5677491339188439
Energy: 1.6375980282420364
Energy: 1.4614309430269472
Energy: 1.3654748048475882
Energy: 1.3595119772801494
Energy: 1.482753895444578
Energy: 1.5112785564108755
Energy: 1.3710755308995726
Energy: 1.4968890276728193
Energy: 1.3648130115855202
Energy: 1.3681081379821936
Energy: 1.4624746494180119
Energy: 1.3804805672309106
Energy: 1.3914640287338382
Energy: 1.3815789054549814
Energy: 1.4518420375135799
Energy: 1.347623533470479
Energy: 1.4955863373935927
Energy: 1.4025794472364248
Energy: 1.3807875116733457
Energy: 1.4043479023790213
Energy: 1.3486328412214317
Energy: 1.362487850877916
Energy: 1.4302923117367354
Energy: 1.3859339097792793
Energy: 1.3867941169711218
Energy: 1.3846942831970335
Energy: 1.4574684926785448
Energy: 1.3631309224697692
Energy: 1.4562889460839048
Energy: 1.4661974551264392
Energy: 1.3681287658646093
Energy: 1.405898075558894
Energy: 1.4576563993366578
Energy: 1.3454655709052132
Energy: 1.360925243638493
Energy: 1.5120390857601813
Energy: 1.368497436255824
Energy: 1.5035594842558835
Energy: 1.3609452186368785
Energy: 1.3310871528378185
Energy: 1.4120348732720425
Energy: 1.5198921830526557
Energy: 1.3701821896318704
Energy: 1.5197562774929032
Energy: 1.414843152016592
Energy: 1.361640394243048
Energy: 1.4956744285324541
Energy: 1.4068605306852267
Energy: 1.38673789511845
Energy: 1.360114597389979
Energy: 1.8148048945046056
Energy: 1.3609875942334992
Energy: 1.4995401912724955
Energy: 1.3503635041368425
Energy: 1.3449126356805765
Energy: 1.4542261359543505
Energy: 1.5031750852576582
Energy: 1.331438890994588
Energy: 1.3345296657109826
Energy: 1.4948266424339525
Energy: 1.3154354477063628
Energy: 1.3156144970771488
Energy: 1.3343267238485255
Energy: 1.3346659871930804
Energy: 1.3299955656429003
Energy: 1.502142600851063
Energy: 1.3458011978170972
Energy: 1.498301302427515
Energy: 1.351051947033622
Energy: 1.406208918271667
Energy: 1.492678800680487
Energy: 1.355695546837109
Energy: 1.3417514888034705
Energy: 1.3525988345081625
Energy: 1.5694038359905966
Energy: 1.347632941702385
Energy: 1.4581316698380091
Energy: 1.3569784247509897
Energy: 1.4369847265886009
Energy: 1.4355741913829607
Energy: 1.3882142932879673
Energy: 1.33082631890961
Energy: 1.4275806817842338
Energy: 1.4813006021804764
Energy: 1.3885621806826378
Energy: 1.3429615004933992
Energy: 1.4273492358219695
Energy: 1.3767527471987755
Energy: 1.3744340623629177
Energy: 1.536384051070371
Energy: 1.3699493289019642
Energy: 1.4012755841413482
Energy: 1.3759146981910595
Energy: 1.3762312776842411
Energy: 1.3879395791337312
Energy: 1.4848596888536723
Energy: 1.3661161802026844
Energy: 1.4574545168516586
Energy: 1.3872016175441808
Energy: 1.3828123041799092
Energy: 1.4211362254241868
Energy: 1.45699855415458
Energy: 1.4587750829419899
Energy: 1.459228866146869
Energy: 1.4652882868037969
Energy: 1.3647636204977105
Energy: 1.495722325899085
Energy: 1.3701137732165702
Energy: 1.3673560551172146
Energy: 1.4971887384291351
Energy: 1.4554558886335576
Energy: 1.3556384917084594
Energy: 1.4644988928869016
Energy: 1.371380144722194
Energy: 1.364001881061519
Energy: 1.4685781540267482
Energy: 1.7787321638559142
Energy: 1.3649481029386064
Energy: 1.3684355644497714
Energy: 1.584680365800289
Energy: 1.360825055685204
Energy: 1.5945925991117267
Energy: 1.3665091684118467
Energy: 1.3576909038365328
Energy: 1.3961319165884896
Energy: 1.5533489559863176
Energy: 1.3618107447611965
Energy: 1.3982396836774504
Energy: 1.3560022986013063
Energy: 1.3583245116277982
Energy: 1.5816440557145561
Energy: 1.4593588746438426
Energy: 1.4485532042564413
Energy: 1.3871477002526889
Energy: 1.5855311891842954

minimum gb energy = 1.3154354477063628 eV
minimum distance =  2.21925836156726 Angstroms
sigma value = 19


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

Energy: 1.582680630360594
Energy: 1.366420254073522
Energy: 1.3665418542068954
Energy: 1.3652108183308787
Energy: 1.366378766706371
Energy: 1.2898316133909968
Energy: 1.2776742171902844
Energy: 1.4327673679049966
Energy: 1.3373434877422585
Energy: 1.2829781975059116
Energy: 1.592712930506314
Energy: 1.3354584178762943
Energy: 1.2710266697368247
Energy: 1.3205519816308404
Energy: 1.5215134889870578
Energy: 1.5295493073300732
Energy: 1.3205837498457684
Energy: 1.3223842166358026
Energy: 1.275051302637705
Energy: 1.4986119193638605
Energy: 1.3826091652492918
Energy: 1.2830286276532612
Energy: 1.4470988096845812
Energy: 1.3233827690623385
Energy: 1.2564428738063045
Energy: 1.3842278409660844
Energy: 1.3267087121108723
Energy: 1.3225666481040503
Energy: 1.3269407120900614
Energy: 1.4556787307128267
Energy: 1.2747055079954674
Energy: 1.384802555480607
Energy: 1.369431894588345
Energy: 1.2753851335142843
Energy: 1.3695496158309608
Energy: 1.274683875325209
Energy: 1.2831339467822596
Energy: 1.3334968047220106
Energy: 1.3343331351371177
Energy: 1.3358726805880043
Energy: 1.333249396435786
Energy: 1.3341128314730688
Energy: 1.2828452591796713
Energy: 1.3347566133740758
Energy: 1.4653503033184436
Energy: 1.2749700455265305
Energy: 1.3347451569149371
Energy: 1.3346422816346508
Energy: 1.279116798564636
Energy: 1.3267231987172894
Energy: 1.3848608511167892
Energy: 1.2754751363895664
Energy: 1.3264470343014496
Energy: 1.3270662595035068
Energy: 1.2832162603121253
Energy: 1.4013898713223103
Energy: 1.4478970151636945
Energy: 1.2746193156128256
Energy: 1.447288714524121
Energy: 1.3341825292560023
Energy: 1.2665543853631096
Energy: 1.3208671327153758
Energy: 1.321737451528228
Energy: 1.3227664028181623
Energy: 1.3249344749359677
Energy: 1.4988025586432163
Energy: 1.283466835037875
Energy: 1.602910513510091
Energy: 1.3949136145173608
Energy: 1.2719203258752094
Energy: 1.3357803393560561
Energy: 1.5941920756259067
Energy: 1.282790183064706
Energy: 1.2841946341627857
Energy: 1.4281722471378062
Energy: 1.2771623523094613
Energy: 1.3326775937507058
Energy: 1.2849812024676701
Energy: 1.2762815889082886
Energy: 1.3374268228900243
Energy: 1.5918397172041239
Energy: 1.2789147317744802
Energy: 1.4400148583790537
Energy: 1.3456708936673278
Energy: 1.2736828671701435
Energy: 1.3331342805702942
Energy: 1.3669877526482506
Energy: 1.364497729174732
Energy: 1.364267800633907
Energy: 1.5237089052386341
Energy: 1.2566860327129226
Energy: 1.6023291212208504
Energy: 1.3359458927960541
Energy: 1.282995495510766
Energy: 1.334621852296535
Energy: 1.5239584390878222
Energy: 1.2713369675336235
Energy: 1.322073097820401
Energy: 1.5267060014605813
Energy: 1.525034968207306
Energy: 1.436956171477031
Energy: 1.321298343672775
Energy: 1.2747143969867127
Energy: 1.3210976448520333
Energy: 1.499156873994361
Energy: 1.2809120938053193
Energy: 1.5375733250705832
Energy: 1.3233637422362063
Energy: 1.2566738307724363
Energy: 1.3837813557698666
Energy: 1.4006344538854965
Energy: 1.2841059062896574
Energy: 1.3273472630367387
Energy: 1.4532526897050457
Energy: 1.2752567660639502
Energy: 1.3695620943321969
Energy: 1.3264426374927443
Energy: 1.285256220658934
Energy: 1.3690834324373407
Energy: 1.3693061457009488
Energy: 1.2742523602962288
Energy: 1.453709520145774
Energy: 1.3347027761110302
Energy: 1.3364193163567475
Energy: 1.3330415340837027
Energy: 1.3791856986029016
Energy: 1.2832393536643312
Energy: 1.3337711502830378
Energy: 1.378393838816971
Energy: 1.2744038477971955
Energy: 1.379589788348154
Energy: 1.3342164170836213
Energy: 1.2736147489976961
Energy: 1.3266679753483592
Energy: 1.3267943465220537
Energy: 1.2747552696172961
Energy: 1.3690477713160039
Energy: 1.3264448841726177
Energy: 1.282603395501874
Energy: 1.4013798767738905
Energy: 1.4480066285008257
Energy: 1.2747960261959266
Energy: 1.4472224640865046
Energy: 1.4016472213311624
Energy: 1.2834397973505605
Energy: 1.499206322126868
Energy: 1.3230179970136355
Energy: 1.2748131458245748
Energy: 1.3213820613091931
Energy: 1.4987646140740134
Energy: 1.2668745751924138
Energy: 1.4315922754192605
Energy: 1.3223140414457046
Energy: 1.2725732154627691
Energy: 1.3215810872545688
Energy: 1.6058362475866739
Energy: 1.2832043729603448
Energy: 1.3353468563522577
Energy: 1.6019246595721373
Energy: 1.3090352450170324
Energy: 1.4402785500600799
Energy: 1.2832236630758476
Energy: 1.2710703030483226
Energy: 1.3453094860170063
Energy: 1.4242895800940703
Energy: 1.2776002172063763
Energy: 1.3336500240991607
Energy: 1.2736851922288621
Energy: 1.2739597174730215
Energy: 1.6063641875902102
Energy: 1.3957832020007606
Energy: 1.3642638402789369
Energy: 1.3968218436663506
Energy: 1.522399134794485

minimum gb energy = 1.2564428738063045 eV
minimum distance =  2.22705389264136 Angstroms
sigma value = 101


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

Energy: 1.4627020742358163
Energy: 1.3049831289497666
Energy: 1.3039505826312014
Energy: 1.3301464890963637
Energy: 1.326990294928977
Energy: 1.568204830387991
Energy: 1.2140391861323359
Energy: 1.421216065540786
Energy: 1.211126507496183
Energy: 1.2394077457222197
Energy: 1.5997430497221043
Energy: 1.210943592405736
Energy: 1.2217305440209032
Energy: 1.233338340647796
Energy: 1.541567174165168
Energy: 1.5425254350252573
Energy: 1.2963697442372764
Energy: 1.2225549618672906
Energy: 1.2337692817459627
Energy: 1.5500034390600452
Energy: 1.3776483393480592
Energy: 1.2121399718473438
Energy: 1.4573361901981252
Energy: 1.3162776486007914
Energy: 1.206758520892501
Energy: 1.381662989823749
Energy: 1.3069006059354056
Energy: 1.216933154319358
Energy: 1.3081271125388974
Energy: 1.3779260699760936
Energy: 1.233497331588036
Energy: 1.3358755410400873
Energy: 1.3092801892261157
Energy: 1.2107579727545885
Energy: 1.3078372743928641
Energy: 1.2370863540342323
Energy: 1.2337419345222564
Energy: 1.283975405319137
Energy: 1.336243711491802
Energy: 1.3429460026155893
Energy: 1.353482984968312
Energy: 1.2836958068136992
Energy: 1.2212592582143038
Energy: 1.2852646369459335
Energy: 1.2106359985569484
Energy: 1.2116181324082185
Energy: 1.2847341966792392
Energy: 1.2840671404547772
Energy: 1.252094499556769
Energy: 1.2853247646185455
Energy: 1.3357417375090088
Energy: 1.2388724107435127
Energy: 1.3025276497221923
Energy: 1.283980121359717
Energy: 1.2339222037430881
Energy: 1.4037614141593608
Energy: 1.3363757306281938
Energy: 1.212398943500713
Energy: 1.3360119330718874
Energy: 1.3121428351353939
Energy: 1.2328091937715155
Energy: 1.304685282895731
Energy: 1.2478156853528557
Energy: 1.2459329783071567
Energy: 1.3083504977342968
Energy: 1.4621533938172013
Energy: 1.2335847160770248
Energy: 1.4569314434681686
Energy: 1.4476186247772118
Energy: 1.2149552592837045
Energy: 1.450029862120471
Energy: 1.460879491659634
Energy: 1.2348235113696149
Energy: 1.3021040603527254
Energy: 1.296267060952742
Energy: 1.230826594989708
Energy: 1.301851584259859
Energy: 1.235310491939305
Energy: 1.2145945751038436
Energy: 1.3094325366483568
Energy: 1.60297856551429
Energy: 1.2299677405534821
Energy: 1.6147615438296845
Energy: 1.3773069213531426
Energy: 1.2362274999491567
Energy: 1.2118257161803665
Energy: 1.2134492914068018
Energy: 1.2387399809381228
Energy: 1.2133031354411759
Energy: 1.4138432596539727
Energy: 1.2437553867877122
Energy: 1.599581267044076
Energy: 1.3731008016251456
Energy: 1.2137509642999174
Energy: 1.399102859044343
Energy: 1.2767032729769017
Energy: 1.304813617489741
Energy: 1.2157699763576442
Energy: 1.2551529749665136
Energy: 1.5396655059625104
Energy: 1.2170013820331076
Energy: 1.2195065708265347
Energy: 1.238445538560969
Energy: 1.4017542150941522
Energy: 1.5990052031256876
Energy: 1.2092956232651233
Energy: 1.6141467342280074
Energy: 1.211736072998412
Energy: 1.2516609226078381
Energy: 1.4921455809707718
Energy: 1.2792263342129215
Energy: 1.2196805722699244
Energy: 1.2794195432477107
Energy: 1.5436038870309476
Energy: 1.2527582939681858
Energy: 1.5185702482721417
Energy: 1.3040359393037457
Energy: 1.2340710960352461
Energy: 1.295377820305261
Energy: 1.378117495805145
Energy: 1.210703277143195
Energy: 1.3780020754032458
Energy: 1.4631440618572653
Energy: 1.3767295527328551
Energy: 1.4465204801530678
Energy: 1.3715384033882752
Energy: 1.2118709293127168
Energy: 1.3089071663330196
Energy: 1.3642749337256306
Energy: 1.23329011703953
Energy: 1.3082740004076696
Energy: 1.24658810424502
Energy: 1.2390760063347268
Energy: 1.3354419394084978
Energy: 1.3487629710532072
Energy: 1.221169563264361
Energy: 1.3491813718653518
Energy: 1.3418429139941936
Energy: 1.2124314366673101
Energy: 1.3044430317890652
Energy: 1.2835148857144878
Energy: 1.2351935226467332
Energy: 1.285025393246613
Energy: 1.3278164265707706
Energy: 1.2113370796784737
Energy: 1.303820392116987
Energy: 1.2836575358108755
Energy: 1.284700017624263
Energy: 1.2835412718460248
Energy: 1.3046433943587687
Energy: 1.2385140537126704
Energy: 1.3354242015612898
Energy: 1.4032577149347232
Energy: 1.235153047600279
Energy: 1.411371602639589
Energy: 1.337503896841075
Energy: 1.2115508986275059
Energy: 1.3083711565643497
Energy: 1.3080202675008923
Energy: 1.2330305808602695
Energy: 1.3079402691866746
Energy: 1.2471381710413172
Energy: 1.2461815640454974
Energy: 1.3084340728942405
Energy: 1.4593788978926572
Energy: 1.2337826939851508
Energy: 1.459472989636616
Energy: 1.247818068609287
Energy: 1.2300492730501127
Energy: 1.517714578017805
Energy: 1.301865874200244
Energy: 1.235148409658524
Energy: 1.2317049540256408
Energy: 1.5170540776561616
Energy: 1.2301824057740185
Energy: 1.3024760058849827
Energy: 1.2154383564356548
Energy: 1.2155780885903888
Energy: 1.2785698691606124
Energy: 1.6116511959100293
Energy: 1.2389185206769364
Energy: 1.2114822742551117
Energy: 1.6164584464841125
Energy: 1.2425941976841919
Energy: 1.2119553914248375
Energy: 1.2120997953440076
Energy: 1.2145456536511448
Energy: 1.3090783924701972
Energy: 1.61161764740823
Energy: 1.2430420905073414
Energy: 1.2120522957220379
Energy: 1.2146715989362495
Energy: 1.252488890583001
Energy: 1.2121074880121927
Energy: 1.2797887806332862
Energy: 1.3045583577401347
Energy: 1.285446388898466
Energy: 1.5418173805360524

minimum gb energy = 1.206758520892501 eV
minimum distance =  2.22246048491119 Angstroms
sigma value = 33


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

Energy: 0.01441682593812271
Energy: 0.09402214471200432
Energy: 0.09047270512884081
Energy: 0.09021065465601319
Energy: 0.09191212476069932
Energy: 0.015111731401122956
Energy: 0.10389576303196052
Energy: 0.10489374763943411
Energy: 0.10475902016847215
Energy: 0.1059697062161869
Energy: 0.10394210184054968
Energy: 0.10539143599380597
Energy: 0.8613560128124039
Energy: 0.09389452330628874
Energy: 0.015065244395287137
Energy: 0.016569936109991096
Energy: 0.09185298377857311
Energy: 0.09013913023317095
Energy: 0.014551333344549541
Energy: 0.10489374763801232
Energy: 0.10475902016847215
Energy: 0.10596970621689779
Energy: 0.10394210184193198
Energy: 0.10539143599380597

minimum gb energy = 0.01441682593812271 eV
minimum distance =  2.44470011351381 Angstroms
sigma value = 1