Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850997865200043
cohesive_energy=4.280336213767988
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=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.84022076883522e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.83746502502474e-19, 6.80889821564052e-19, 6.763764899860739e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10161734056122e-19, 5.82061158072396e-19, 5.45678931067524e-19, 4.98682283862402e-19, 4.37993435143116e-19, 3.5949639313691994e-19, 2.57634809277102e-19, 1.2482109546036478e-19, -4.94732918459592e-20, -2.8004765821012795e-19, -5.88120590102184e-19, -1.0046736975291118e-18, -1.5761124245180878e-18, -2.3739931838968196e-18, -3.51174687699924e-18, -5.174037178306919e-18, -7.670388591742319e-18, -1.1534630349987899e-17, -1.77099798592458e-17, -2.78684205894594e-17, -4.47811573556268e-17, -7.166311779153239e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01327141600079967
Energy: 0.2255219989112351
Energy: 0.22536695377851634
Energy: 0.22548846402027115
Energy: 0.22546872745881885
Energy: 0.013456876977918895
Energy: 0.2255219989107309
Energy: 1.2925487744348712
Energy: 0.2254358522616638
Energy: 0.2254202934422573
Energy: 0.22547607376295103
Energy: 0.22549333226209323
Energy: 0.22536695377952476
Energy: 0.2254358522616638
Energy: 1.2926425061192615
Energy: 0.013684700526073122
Energy: 0.22539446358371926
Energy: 0.22545961770758058
Energy: 0.22548846401926273
Energy: 0.22542029344273348
Energy: 0.013684700526073122
Energy: 0.013410042309553307
Energy: 0.2258260703043858
Energy: 0.225562561614414
Energy: 0.22546872745929508
Energy: 0.22547607376244683
Energy: 0.22539446358371926
Energy: 0.22582607030486204
Energy: 1.2926353665448744
Energy: 0.22539295177828872
Energy: 0.013456876977918895
Energy: 0.22549333226209323
Energy: 0.22545961770612397
Energy: 0.22556256161390978
Energy: 0.22539295177977334
Energy: 0.013593044032994918

minimum gb energy = 0.01327141600079967 eV
minimum distance =  2.46750650671652 Angstroms
sigma value = 1


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

Energy: 1.443112436509295
Energy: 1.3270064304538798
Energy: 1.3276567646895858
Energy: 1.4063392644970918
Energy: 1.3279312735979678
Energy: 1.3899013846842507
Energy: 1.6088995340163372
Energy: 1.3644946624027194
Energy: 1.3182207638000099
Energy: 1.2807289764941938
Energy: 1.3263318263352608
Energy: 1.3645076074507643
Energy: 1.2788360482656305
Energy: 1.3174732681106072
Energy: 1.366096480584825
Energy: 1.3244312460059329
Energy: 1.3742194087325375
Energy: 1.3175518144020053
Energy: 1.3769451777530062
Energy: 1.316437113816087
Energy: 1.4208733062978165
Energy: 1.325562629466001
Energy: 1.31674133751693
Energy: 1.3197876624008094
Energy: 1.2778733007532899
Energy: 1.364682183497548
Energy: 1.3170799157245898
Energy: 1.3323088003764247
Energy: 1.7714834753239992
Energy: 1.3248775600727674
Energy: 1.2795965652011867
Energy: 1.4119654283411571
Energy: 1.3169956625191406
Energy: 1.2787293962460302
Energy: 1.4130006484982005
Energy: 1.377492960609237
Energy: 1.2468764433794806
Energy: 1.4116320131923086
Energy: 1.4134278408904766
Energy: 1.5125771423365266
Energy: 1.412711777832659
Energy: 1.4210686951908265
Energy: 1.323970078895553
Energy: 1.290904682368639
Energy: 1.3296872223965293
Energy: 1.3288471625705527
Energy: 1.6354599549538533
Energy: 1.3252432601950228
Energy: 1.3246532959129194
Energy: 1.4205702603904167
Energy: 1.4217959646531766
Energy: 1.3304172324368577
Energy: 1.4224865982684816
Energy: 1.2922228826518924
Energy: 1.3222382595543845
Energy: 1.4120558665848868
Energy: 1.4155769769649198
Energy: 1.3320891427604602
Energy: 1.412932489461391
Energy: 1.4354643414937047
Energy: 1.3244940772792233
Energy: 1.3244149185094032
Energy: 1.3646827161505777
Energy: 1.3302505032101442
Energy: 1.324233095471434
Energy: 1.3249428145678497
Energy: 1.3761315281781579
Energy: 1.3169140642236756
Energy: 1.3747577180463266
Energy: 1.3242306653117935
Energy: 1.317878631646235
Energy: 1.3266440807180133
Energy: 1.2784938903602392
Energy: 1.3169810433770648
Energy: 1.374125052150763
Energy: 1.3245882290925997
Energy: 1.318015003291437
Energy: 1.3264015223628416
Energy: 1.3340342084303904
Energy: 1.3657332856137439
Energy: 1.3650167684982677
Energy: 1.33014893448702
Energy: 1.36548259769504
Energy: 1.3651712678160859
Energy: 1.3232715008241338
Energy: 1.317450358049585
Energy: 1.3168763743420717
Energy: 1.2786682435787806
Energy: 1.3167352275873594
Energy: 1.4208346033037
Energy: 1.3267726342194275
Energy: 1.3755107192259308
Energy: 1.3260030563175305
Energy: 1.2910272142631516
Energy: 1.3260411809252208
Energy: 1.3693172666057423
Energy: 1.3288640402504008
Energy: 1.326426971619755
Energy: 1.3247143129795702
Energy: 1.3267437402003888
Energy: 1.6627972327658371
Energy: 1.3747212772471669
Energy: 1.2817732096509884
Energy: 1.4223317477877537
Energy: 1.4209344599273581
Energy: 1.4200030462789575
Energy: 1.4201818700485958
Energy: 1.4205285311352982
Energy: 1.2783777364390752
Energy: 1.4207148991488836
Energy: 1.2902452474732433
Energy: 1.2910675329622419
Energy: 1.4201736862377294
Energy: 1.3267353410391116
Energy: 1.3307603868103577
Energy: 1.4137330608689334
Energy: 1.278165741567842
Energy: 1.3249523947445354
Energy: 1.4225410324862497
Energy: 1.3300614663255335
Energy: 1.4612409680769463
Energy: 1.4132507744699334
Energy: 1.434816501504152
Energy: 1.3225887298551644
Energy: 1.4121636240136817
Energy: 1.4124982471813674
Energy: 1.329393238225778
Energy: 1.3167902811233096
Energy: 1.2920169368209122
Energy: 1.3231997860233753
Energy: 1.4122189395081803
Energy: 1.3775518236347175
Energy: 1.3219874249836454
Energy: 1.3657127417796016
Energy: 1.3260392234786753
Energy: 1.279156282207994
Energy: 1.326636540775887
Energy: 1.3645512199851013

minimum gb energy = 1.2468764433794806 eV
minimum distance =  2.25154575484808 Angstroms
sigma value = 33


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

Energy: 1.5659409607938752
Energy: 1.3725958307879265
Energy: 1.37296818046852
Energy: 1.4176809179932957
Energy: 1.3728068244096936
Energy: 1.485241710772008
Energy: 1.5033037826696196
Energy: 1.4509419452717962
Energy: 1.3713520916884654
Energy: 1.3856676391257772
Energy: 1.4424570867915565
Energy: 1.4495843860228323
Energy: 1.4829501020028892
Energy: 1.4489066986432488
Energy: 1.6340694244670133
Energy: 1.391943019905406
Energy: 1.4505306487952054
Energy: 1.4519506535568558
Energy: 1.4891791987379435
Energy: 1.4573197694662243
Energy: 1.452108724672692
Energy: 1.349808043785028
Energy: 1.4569627361941668
Energy: 1.4585987969954604
Energy: 1.4615823129193954
Energy: 1.4609833437358426
Energy: 1.4245239268964849
Energy: 1.4483262338603407
Energy: 1.4222255401421406
Energy: 1.4487147334721806
Energy: 1.4774032984339454
Energy: 1.5125841866726115
Energy: 1.364187562294747
Energy: 1.4630011031626307
Energy: 1.513148091869927
Energy: 1.5125783814698148
Energy: 1.4563853466271426
Energy: 1.5128379540458161
Energy: 1.5126748395585274
Energy: 1.518590665570201
Energy: 1.5130818443259342
Energy: 1.5132819872143082
Energy: 1.4467974505886305
Energy: 1.4195934233932375
Energy: 1.4474587180854779
Energy: 1.4464792541738152
Energy: 1.624213761972431
Energy: 1.4203193674093633
Energy: 1.393162383192109
Energy: 1.4600604687629037
Energy: 1.4580709235062168
Energy: 1.4903121179919971
Energy: 1.4596859802605624
Energy: 1.408958937889645
Energy: 1.3905632195630022
Energy: 1.4570615476267976
Energy: 1.454827844146524
Energy: 1.4828584420664528
Energy: 1.454771487025054
Energy: 1.483999715637275
Energy: 1.4572484315033292
Energy: 1.4096761828598712
Energy: 1.4622619216693344
Energy: 1.502879581664967
Energy: 1.461356614121196
Energy: 1.4246224456699035
Energy: 1.3836602691991393
Energy: 1.36527215167038
Energy: 1.4170844418916941
Energy: 1.3481122387784832
Energy: 1.3638352579649446
Energy: 1.364539581221758
Energy: 1.37676442545989
Energy: 1.3642911133321152
Energy: 1.4168873609332593
Energy: 1.405174036281318
Energy: 1.366041609286739
Energy: 1.364720770925901
Energy: 1.4068302472868677
Energy: 1.3955430442180479
Energy: 1.4593752206557409
Energy: 1.5028866849089677
Energy: 1.459477259440232
Energy: 1.3952633270901675
Energy: 1.4360991303253363
Energy: 1.5000502379546965
Energy: 1.5783246156183928
Energy: 1.4833501734913992
Energy: 1.502655213608167
Energy: 1.5015481986581043
Energy: 1.3951376759792349
Energy: 1.498281406928318
Energy: 1.500782680173721
Energy: 1.4831906654133165
Energy: 1.501947084187431
Energy: 1.3619253032036613
Energy: 1.3949039533516416
Energy: 1.362480046472666
Energy: 1.502146005036661
Energy: 1.5012715825252008
Energy: 1.4999872702985277
Energy: 1.3951317565828756
Energy: 1.3923365974248
Energy: 1.4972847144904697
Energy: 1.4980778496273106
Energy: 1.495327760308497
Energy: 1.4977068145826518
Energy: 1.5186651114250138
Energy: 1.3922173275492775
Energy: 1.4974382941830724
Energy: 1.4565566660550915
Energy: 1.5143915915085864
Energy: 1.4949422091037334
Energy: 1.5926329694616672
Energy: 1.4180399399757455
Energy: 1.446781332784124
Energy: 1.4643120948996382
Energy: 1.5025703537568946
Energy: 1.4639662842336938
Energy: 1.423195573405074
Energy: 1.3771494670419016
Energy: 1.370296250958086
Energy: 1.4230649632434211
Energy: 1.304934433311877
Energy: 1.3707911240639743
Energy: 1.3704334667589289
Energy: 1.3847581651115313
Energy: 1.364520890237839
Energy: 1.451559860626034
Energy: 1.3930028968963122
Energy: 1.4380456053155848
Energy: 1.3653507657777522
Energy: 1.451666783994102
Energy: 1.4092295924973748
Energy: 1.4585650933738938
Energy: 1.4840806784664333
Energy: 1.4575626996769981
Energy: 1.4091346707328163
Energy: 1.434607021713427
Energy: 1.4592775228746693
Energy: 1.4602405053032954
Energy: 1.4877081303674768
Energy: 1.4598050366675985
Energy: 1.5022099008636873
Energy: 1.4495630408339666
Energy: 1.425469705540213
Energy: 1.4590706482907099
Energy: 1.4904408608134754
Energy: 1.4596232074115123
Energy: 1.409489855870215
Energy: 1.462732951711413
Energy: 1.3638342642839316
Energy: 1.6924678876205954
Energy: 1.463363696474194
Energy: 1.51385479301388
Energy: 1.4382406419142137
Energy: 1.4613667335583662
Energy: 1.5174788085184239
Energy: 1.5146993233203008
Energy: 1.4386929428036523
Energy: 1.5178714271494322
Energy: 1.5175060744781856
Energy: 1.4631394961439963
Energy: 1.5121887520305357
Energy: 1.417420519987325
Energy: 1.4618861595765664
Energy: 1.3644400325155017
Energy: 1.4638156417806052
Energy: 1.4905937971258345
Energy: 1.4592857431997308
Energy: 1.408697521560753
Energy: 1.3933483378722773
Energy: 1.4597230757795197
Energy: 1.4976955861105323
Energy: 1.4832292793181945
Energy: 1.4598828040663525
Energy: 1.4846360021866893
Energy: 1.625265011392758
Energy: 1.4589439296088729
Energy: 1.4592017345292483
Energy: 1.483522576940042
Energy: 1.458928405862133
Energy: 1.408643257690979
Energy: 1.4560492748163996
Energy: 1.458667138967652
Energy: 1.4599516041769454
Energy: 1.4546721432755674
Energy: 1.419602758943151
Energy: 1.3642309087797395
Energy: 1.3846468680640733
Energy: 1.3650094542661992
Energy: 1.4080648895774075
Energy: 1.3920085601170733
Energy: 1.3652965741749037
Energy: 1.3640540459835806
Energy: 1.3749244577592763
Energy: 1.3640131535147797
Energy: 1.456958790650186
Energy: 1.5038350429624279
Energy: 1.460849437074847
Energy: 1.3952197473670989
Energy: 1.4065800253546408
Energy: 1.4216721561151198
Energy: 1.463342626062916
Energy: 1.481931851937902
Energy: 1.4980047793883964
Energy: 1.4980369920785366
Energy: 1.4359024574099857
Energy: 1.497467245761322
Energy: 1.455994390534961
Energy: 1.4847720602216052
Energy: 1.4989366722940753
Energy: 1.4979617583600877
Energy: 1.4110749298735217
Energy: 1.4974235258275235
Energy: 1.4979190601794343
Energy: 1.4997275013952405
Energy: 1.5030673349164816
Energy: 1.361740437975465
Energy: 1.3951212850559422
Energy: 1.5346519254349151
Energy: 1.5027131711112753
Energy: 1.4836470430136823
Energy: 1.5004603310563043
Energy: 1.498103189785276
Energy: 1.3918900106898398
Energy: 1.4942813335548604
Energy: 1.5002394169401763
Energy: 1.5151188855884843
Energy: 1.5015400049739986
Energy: 1.5037606821643477
Energy: 1.3918472385261615
Energy: 1.503550627313946
Energy: 1.578494400837149
Energy: 1.5162247907712063
Energy: 1.4609299667003754
Energy: 1.3953315877732393
Energy: 1.406340066271783
Energy: 1.4213815363402902
Energy: 1.460830160321175
Energy: 1.3049640578384771
Energy: 1.4174631367049553
Energy: 1.3706753293194718
Energy: 1.3765275374823907
Energy: 1.3704458407836992
Energy: 1.4950620008206812

minimum gb energy = 1.304934433311877 eV
minimum distance =  2.25574281253579 Angstroms
sigma value = 51


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

Energy: 2.7022992587267716
Energy: 1.4672954655090633
Energy: 1.466330753239452
Energy: 1.56480159630496
Energy: 1.4674100604681553
Energy: 1.5333253205367392
Energy: 1.5337402635691149
Energy: 1.4661273355326865
Energy: 1.463895200388056
Energy: 1.5344365286707033
Energy: 1.4656478382849916
Energy: 1.5136098528594528
Energy: 1.532062416493901
Energy: 1.4635835103934167
Energy: 1.4678383100617212
Energy: 1.5827477027225785
Energy: 1.5181219231284244
Energy: 1.4634138380533483
Energy: 1.5579156873109494
Energy: 1.4630490482439096
Energy: 1.4656183998198413
Energy: 1.547295359425625
Energy: 1.4651913705148751
Energy: 1.46555643539566
Energy: 1.5581091998191026
Energy: 1.5108669375955428
Energy: 1.511830514689018
Energy: 1.5823305079665486
Energy: 1.8022630407778168
Energy: 1.5109658036321882
Energy: 1.5351173343445883
Energy: 1.5489559261566836
Energy: 1.5343746309551
Energy: 1.5835436096702011
Energy: 1.5472664259228384
Energy: 1.549144267746193
Energy: 1.5332827469168229
Energy: 1.5491954147987277
Energy: 1.547495859000207
Energy: 1.5323155695786235
Energy: 1.5493671805096043
Energy: 1.5493257767414037
Energy: 1.5832090993025272
Energy: 1.5112365843612836
Energy: 1.582898152738237
Energy: 1.583572346021336
Energy: 1.5489798416876726
Energy: 1.5179365689843427
Energy: 1.3806638904433766
Energy: 1.5346636707728407
Energy: 1.465758715464089
Energy: 1.5578565705837921
Energy: 1.4657844479979867
Energy: 1.3322149878725442
Energy: 1.3321166830327007
Energy: 1.4656402435047455
Energy: 1.465354221848738
Energy: 1.5346196970697117
Energy: 1.4659056980360023
Energy: 1.53482872850102
Energy: 1.5342136412403904
Energy: 1.5120830705295558
Energy: 1.511668829743192
Energy: 1.5331610111727982
Energy: 1.5118669486268175
Energy: 1.51184478422467
Energy: 1.5330665890393704
Energy: 1.4627496031131442
Energy: 1.5193058285476437
Energy: 1.54750727675996
Energy: 1.4627421237091134
Energy: 1.4627151743672717
Energy: 1.5588808897808462
Energy: 1.4626778314715747
Energy: 1.5179989300275263
Energy: 1.5476878773168974
Energy: 1.464571975998406
Energy: 1.4627505959683824
Energy: 1.557274503102874
Energy: 1.5882078388384566
Energy: 1.5116023660842817
Energy: 1.5846292148573462
Energy: 1.8024000245026919
Energy: 1.5838145756353172
Energy: 1.5335176867355798
Energy: 1.547135379492995
Energy: 1.4658075382621896
Energy: 1.7205000573438527
Energy: 1.5487547859360677
Energy: 1.5487471957971808
Energy: 1.5841724250973535
Energy: 1.5577802712663906
Energy: 1.5487347506285
Energy: 1.720216009365708
Energy: 1.5470187512269928
Energy: 1.463710085377395
Energy: 1.5848484806631138
Energy: 1.5113814257868095
Energy: 1.583320945196531
Energy: 1.5806707736972265
Energy: 1.5118608562748146
Energy: 1.5111391037618458
Energy: 1.3324459751155184
Energy: 1.4659971450491458
Energy: 1.4662776537252165
Energy: 1.4639942251190086
Energy: 1.4663045551748586
Energy: 1.535378946938075

minimum gb energy = 1.3321166830327007 eV
minimum distance =  2.2655842281464 Angstroms
sigma value = 19


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

Energy: 1.6382146017115602
Energy: 1.5881606839559177
Energy: 1.582907439065954
Energy: 1.5648507863960823
Energy: 1.5744405994400112
Energy: 1.636333326933077
Energy: 1.5258580218955118
Energy: 1.777910791476741
Energy: 1.5553277712220817
Energy: 1.4568996918429815
Energy: 1.554890978149981
Energy: 1.6386119442783995
Energy: 1.605012803669023
Energy: 1.635648929322934
Energy: 1.8794492916407386
Energy: 1.440388043343714
Energy: 1.6570866969060334
Energy: 1.6319597912049466
Energy: 1.6448328946787747
Energy: 1.6313129370476929
Energy: 1.6315131183838505
Energy: 1.5523401160377914
Energy: 1.6312602322690568
Energy: 1.6314356701062593
Energy: 1.6466763451314281
Energy: 1.6382619797450397
Energy: 1.646431201045012
Energy: 1.4402579857025053
Energy: 1.6464612537897048
Energy: 1.6413468736404198
Energy: 1.647047749257329
Energy: 1.6379039505342348
Energy: 1.646731176570829
Energy: 1.4399090153480523
Energy: 1.7557186531163127
Energy: 1.6323613842551286
Energy: 1.646997748851388
Energy: 1.6397668999765425
Energy: 1.6300347885542528
Energy: 1.8556095555614003
Energy: 1.6395717531133411
Energy: 1.6412765640184388
Energy: 1.5567997394955093
Energy: 1.6389426024711604
Energy: 1.5553024234114705
Energy: 1.439939851146575
Energy: 1.7901226380768627
Energy: 1.6566357648550338
Energy: 1.4356522053034007
Energy: 1.5549791239216335
Energy: 1.5495618276351133
Energy: 1.5337327868474044
Energy: 1.5629319533903574
Energy: 1.6386970186808647
Energy: 1.4355946122489434
Energy: 1.5516262571486248
Energy: 1.5529106804416264
Energy: 1.551727089644627
Energy: 1.5517907035933665
Energy: 1.6394028787499726
Energy: 1.5270156600666747
Energy: 1.638337706709301
Energy: 1.5550668394057245
Energy: 1.5519731188109716
Energy: 1.5550506906141242
Energy: 1.6550613694653344
Energy: 1.5596554226436037
Energy: 1.7378862067573897
Energy: 1.6339006740649036
Energy: 1.5975510428730224
Energy: 1.6340339573667264
Energy: 1.6640473742833681
Energy: 1.668627950293365
Energy: 1.6343185258525428
Energy: 1.6344149778900743
Energy: 1.5602680618440823
Energy: 1.6342852754932355
Energy: 1.638390003292525
Energy: 1.5596041398733025
Energy: 1.757114368024894
Energy: 1.6449815291704308
Energy: 1.526086731819643
Energy: 1.6495152072733388
Energy: 1.559010775309592
Energy: 1.5818553447566983
Energy: 1.5427973967078272
Energy: 1.791155379434311
Energy: 1.4385028475927741
Energy: 1.5627415536597042
Energy: 1.5507715605688281
Energy: 1.535359679199513
Energy: 1.5498305630960931
Energy: 1.6157089181901354
Energy: 1.43562259107751
Energy: 1.5510239901500589
Energy: 1.5644324982200766
Energy: 1.4393794033973693
Energy: 1.5549246660338265
Energy: 1.642767423511192
Energy: 1.525878646252397
Energy: 1.6430136529959782
Energy: 1.5545075814623117
Energy: 1.5520490092324553
Energy: 1.63225534931736
Energy: 1.6321783096144804
Energy: 1.6444170890651102
Energy: 1.6313414056468059
Energy: 1.787486332961253
Energy: 1.5522547741858825
Energy: 1.6567280451304072
Energy: 1.6339566795331146
Energy: 1.6961250651427198
Energy: 1.6285499706458617
Energy: 1.88293183212726
Energy: 1.4389193666223565
Energy: 1.6386074784955138
Energy: 1.6071670849286572
Energy: 1.6400254471890787
Energy: 1.638266027546362
Energy: 1.671016717201504
Energy: 1.4377109700770363
Energy: 1.6539512230349502
Energy: 1.625970824658271
Energy: 1.6451593475495694
Energy: 1.6294465383382561
Energy: 1.6473748974790385
Energy: 1.4719628456321745
Energy: 1.6316287160567569
Energy: 1.6353553562083147
Energy: 1.6466655513015074
Energy: 1.635608026772956
Energy: 1.6281321145483167
Energy: 1.45652830992399
Energy: 1.5548007177997343
Energy: 1.6383211486250597
Energy: 1.5274206565674942
Energy: 1.6396174338491327
Energy: 1.554702134125333
Energy: 1.5336395710021045
Energy: 1.549092724002395
Energy: 1.6324333693766426
Energy: 1.4357375315565903
Energy: 1.5447976638395953
Energy: 1.5501911416664196
Energy: 1.585628725760901
Energy: 1.5444082172936278
Energy: 1.7136402885021105
Energy: 1.4355700519712755
Energy: 1.554949673304491
Energy: 1.5444168961001683
Energy: 1.5254577030499752
Energy: 1.5549117458285528
Energy: 1.6501513891365378
Energy: 1.5588575534005749
Energy: 1.6651765593554848
Energy: 1.526225913359861
Energy: 1.560372417681177
Energy: 1.6339091718095524
Energy: 1.7340331677550624
Energy: 1.5600916758853263
Energy: 1.633973725827278
Energy: 1.6335943955393253
Energy: 1.5599904183225255
Energy: 1.7363922222473933
Energy: 1.633960156319926
Energy: 1.6678766682222705
Energy: 1.633941942675353
Energy: 1.5989943052028037
Energy: 1.5261650480032203
Energy: 1.6429096767174172
Energy: 1.5549807597445746
Energy: 1.5250216292370669
Energy: 1.6465227576503494
Energy: 1.6727801445894581
Energy: 1.434958045812615
Energy: 1.5415828781976832
Energy: 1.5514985186882662
Energy: 1.5832016953468913
Energy: 1.5512911690913407
Energy: 1.789226494394254

minimum gb energy = 1.434958045812615 eV
minimum distance =  2.24436497780035 Angstroms
sigma value = 27


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

Energy: 1.9843111731721614
Energy: 1.5536540271555463
Energy: 1.5535315463278627
Energy: 1.5150761986615549
Energy: 1.553613587097535
Energy: 1.574418799053969
Energy: 1.4679160700465534
Energy: 1.5762002041335519
Energy: 1.5640219391163854
Energy: 1.4478931412617555
Energy: 1.5518074364334422
Energy: 1.5890803447687545
Energy: 1.4655247483364222
Energy: 1.5653037207993077
Energy: 1.5965239082664924
Energy: 1.4457910852800044
Energy: 1.5662552210602387
Energy: 1.4656240330014847
Energy: 1.5456050982435379
Energy: 1.5505385336781894
Energy: 1.5511396738884768
Energy: 1.4682624670229323
Energy: 1.5511342245415323
Energy: 1.5499123651836761
Energy: 1.4656131143587514
Energy: 1.5862853188675718
Energy: 1.5952365080926019
Energy: 1.4661530014243809
Energy: 1.5818117836155905
Energy: 1.5857917873954492
Energy: 1.5110736618699936
Energy: 1.551691690921226
Energy: 1.5758271116311706
Energy: 1.4674228243082903
Energy: 1.5757911337277577
Energy: 1.551934836084388
Energy: 1.5153316166068318
Energy: 1.554087118085071
Energy: 1.590390970426104
Energy: 1.6088139682998583
Energy: 1.5532169535848215
Energy: 1.5538548409843056
Energy: 1.4478383373432853
Energy: 1.5517229814039206
Energy: 1.5768522309262645
Energy: 1.4674196416112766
Energy: 1.5763142693491825
Energy: 1.449530537699953
Energy: 1.4452369034423491
Energy: 1.5659110277560062
Energy: 1.5644947736082695
Energy: 1.465569774393129
Energy: 1.565805558665248
Energy: 1.5767666016457789
Energy: 1.5383406619249407
Energy: 1.55128758022043
Energy: 1.5499341157072355
Energy: 1.508951838576328
Energy: 1.550802715699706
Energy: 1.5536911258369723
Energy: 1.466093755766418
Energy: 1.5814393073207071
Energy: 1.5859543573027397
Energy: 1.4678325582928649
Energy: 1.5868319329378386
Energy: 1.5639968157954187
Energy: 1.452633202628763
Energy: 1.5758632720640118
Energy: 1.5519934849912647
Energy: 1.5077480750876644
Energy: 1.5514711495428393
Energy: 1.5757645627716144

minimum gb energy = 1.4452369034423491 eV
minimum distance =  2.26605444984291 Angstroms
sigma value = 9


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

Energy: 1.6279354650011473
Energy: 1.5501862765042747
Energy: 1.5390847294596552
Energy: 1.5491617182724224
Energy: 1.5401929973552082
Energy: 1.6146798491290848
Energy: 1.5055683406749605
Energy: 1.7426379218439942
Energy: 1.5277935623715744
Energy: 1.5176865216614452
Energy: 1.528348077208463
Energy: 1.740712599390461
Energy: 1.5498547035365553
Energy: 1.6702124901709
Energy: 1.678969939984593
Energy: 1.632680455141156
Energy: 1.6544147517121404
Energy: 1.538565223036768
Energy: 1.4871216850404623
Energy: 1.654228210024137
Energy: 1.6539869723396194
Energy: 1.4780791932028474
Energy: 1.6547939531488443
Energy: 1.6781504989605163
Energy: 1.4691055315874064
Energy: 1.6545184475397512
Energy: 1.6735434197683505
Energy: 1.5130082531363227
Energy: 1.654763433333023
Energy: 1.7401826634659343
Energy: 1.5172410792358362
Energy: 1.5229385899303685
Energy: 1.6754686983075666
Energy: 1.4627597594035522
Energy: 1.6990556086311077
Energy: 1.5283651316533928
Energy: 1.4783056872744884
Energy: 1.5479266483191503
Energy: 1.5988036530602585
Energy: 1.8352000156271782
Energy: 1.5387050697528295
Energy: 1.550471917091498
Energy: 1.4597697640454415
Energy: 1.522628394878676
Energy: 1.6934618639585637
Energy: 1.5002706844859242
Energy: 1.698823487645288
Energy: 1.522350973178738
Energy: 1.4688359206908328
Energy: 1.635641676947687
Energy: 1.656922730105797
Energy: 1.5127473297465184
Energy: 1.6775822297171845
Energy: 1.6328456805583205
Energy: 1.4698783220120264
Energy: 1.6357007746927719
Energy: 1.6351884316158545
Energy: 1.5491606605741304
Energy: 1.6349462466765114
Energy: 1.6517111970713942
Energy: 1.4824177033485186
Energy: 1.64627089720386
Energy: 1.7146494820953024
Energy: 1.640064512409421
Energy: 1.642029262034921
Energy: 1.5848041624180356
Energy: 1.48312074223572
Energy: 1.8097727482441008
Energy: 1.6114523325177812
Energy: 1.5122161502963483
Energy: 1.611300516883487
Energy: 1.7473194952148388
Energy: 1.561200983368359
Energy: 1.6001589233664666
Energy: 1.6001689339929497
Energy: 1.446583315300581
Energy: 1.6003920723825773
Energy: 1.6348325826027785
Energy: 1.483608720606577
Energy: 1.743557498086938
Energy: 1.5998680371369978
Energy: 1.4536827143271662
Energy: 1.5985167353205507
Energy: 1.820444072736102
Energy: 1.4864658713002055
Energy: 1.742866988505189
Energy: 1.6022797899753314
Energy: 1.4510316094070805
Energy: 1.7095600140351277
Energy: 1.7018803268572114
Energy: 1.4579815587137577
Energy: 1.6001102179668656
Energy: 1.5990259791677475
Energy: 1.4529873340679296
Energy: 1.5987825376518208
Energy: 1.6112960731397952
Energy: 1.5173714115019297
Energy: 1.6879937908223597
Energy: 1.6104947233911484
Energy: 1.4587190194663777
Energy: 1.6043252967569805
Energy: 1.7553659993722446
Energy: 1.454426905544202
Energy: 1.6457859356999347
Energy: 1.599449815886825
Energy: 1.5033386978140604
Energy: 1.720501292198812
Energy: 1.4825173999079118
Energy: 1.4681344740603344
Energy: 1.6350056377656994
Energy: 1.6354521830593094
Energy: 1.5335836199595467
Energy: 1.6350896236424424
Energy: 1.6346714513853509
Energy: 1.4701659500762854
Energy: 1.6359844263088958
Energy: 1.7210836397995262
Energy: 1.5207507629949006
Energy: 1.7095893205855774
Energy: 1.6534074750825805
Energy: 1.467642720514837
Energy: 1.5400176376831105
Energy: 1.7498226500971146
Energy: 1.5939081221547515
Energy: 1.6794917884410159
Energy: 1.4709004505240042
Energy: 1.4593053253535848
Energy: 1.522528648375226
Energy: 1.5836962501770904
Energy: 1.4571390605139765
Energy: 1.5243448386051144
Energy: 1.5248409126466418
Energy: 1.5130508671058298
Energy: 1.5249510856884483
Energy: 1.7053230555642183
Energy: 1.5156798501781756
Energy: 1.530040884113741
Energy: 1.5215108709694096
Energy: 1.468276914573123
Energy: 1.7475970106497625
Energy: 1.67002637087223
Energy: 1.6451508678623457
Energy: 1.6640346439131335
Energy: 1.5374224338895437
Energy: 1.4908537510814308
Energy: 1.6615856781584026
Energy: 1.661562429664985
Energy: 1.4697152748916098
Energy: 1.6623655925568819
Energy: 1.654108977713618
Energy: 1.5060523839996722
Energy: 1.6733435327532045
Energy: 1.6539026069264977
Energy: 1.486593408251262
Energy: 1.6547412942072974
Energy: 1.629986030426269
Energy: 1.5090562799496592
Energy: 1.6624205668218142
Energy: 1.5356305774827792
Energy: 1.5158722541089127
Energy: 1.6996301051360336
Energy: 1.6687511547973828
Energy: 1.5123981285194628
Energy: 1.52199285537343
Energy: 1.5233687029785044
Energy: 1.4675513361834513
Energy: 1.5226113418331537
Energy: 1.5975662948351808
Energy: 1.4802907207368852
Energy: 1.6973580539718496
Energy: 1.5244128153783285
Energy: 1.4679400956922821
Energy: 1.5281720015418478
Energy: 1.7994780489537012
Energy: 1.51259599048133
Energy: 1.6790167267340954
Energy: 1.4687634741115816
Energy: 1.4657949396765595
Energy: 1.6784878752777006
Energy: 1.6060023365959362
Energy: 1.4616320033951584
Energy: 1.7144163266062729
Energy: 1.6424576016393662
Energy: 1.469373624158386
Energy: 1.6426025378055247
Energy: 1.7140444794057155
Energy: 1.559228433302036
Energy: 1.6340995754944239
Energy: 1.6483936870520164
Energy: 1.4667605910691752
Energy: 1.645252352226406
Energy: 1.776264353870249
Energy: 1.5132622600637196
Energy: 1.6009824471670895
Energy: 1.6482509056674046
Energy: 1.4539016277246075
Energy: 1.646606372406628
Energy: 1.6761265576705917
Energy: 1.459008380349081
Energy: 1.5980737343290368
Energy: 1.6014361145867182
Energy: 1.4660936870410335
Energy: 1.60110610477403
Energy: 1.6234416186345795
Energy: 1.4486128797640052
Energy: 1.610453005684821
Energy: 1.686141247604215
Energy: 1.5168000626580773
Energy: 1.6113039240120794
Energy: 1.598689054487841
Energy: 1.4431594176831393
Energy: 1.7067147807367822
Energy: 1.8351075678171478
Energy: 1.4544237998878666
Energy: 1.707933310122828
Energy: 1.447214536278353
Energy: 1.459390547513522
Energy: 1.6108895069710796
Energy: 1.7571586683795446
Energy: 1.5179646873750479
Energy: 1.6075296661381075
Energy: 1.6049814369491064
Energy: 1.4581593467088152
Energy: 1.609539147253699
Energy: 1.6107369815797794
Energy: 1.6197706688454148
Energy: 1.6004091886547924
Energy: 1.6221947579104075
Energy: 1.5123179578339814
Energy: 1.6069252793056579
Energy: 1.6469982894700408
Energy: 1.4522181965817549
Energy: 1.6474019778131153
Energy: 1.567492780131752
Energy: 1.5368061173091054
Energy: 1.6353333087405137
Energy: 1.6566116073205555
Energy: 1.4665103030247904
Energy: 1.635108072391619
Energy: 1.6343389758936697
Energy: 1.5048772784347182
Energy: 1.7199826665098519
Energy: 1.6351278945830976
Energy: 1.4710968466417713
Energy: 1.639435242735293
Energy: 1.71449964334912
Energy: 1.5127352079714513
Energy: 1.6778794116305324
Energy: 1.5657298295775952
Energy: 1.4664738717570407
Energy: 1.6775548663828592
Energy: 1.678608193213586
Energy: 1.5154214624352105
Energy: 1.645868076511093
Energy: 1.527587951089913
Energy: 1.4692552764850109
Energy: 1.5288045904491505
Energy: 1.7530571233498062

minimum gb energy = 1.4431594176831393 eV
minimum distance =  2.24701247361125 Angstroms
sigma value = 57


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

Energy: 2.9989480006200306
Energy: 1.4220314074638614
Energy: 1.4229295436484861
Energy: 1.2801745276370253
Energy: 1.4237152309315961
Energy: 1.5412321440044947
Energy: 1.2790718938548415
Energy: 1.5571973854915888
Energy: 1.4304522459000482
Energy: 1.2822822391230213
Energy: 1.4313841202917739
Energy: 1.533175859341706
Energy: 1.2833648959218433
Energy: 1.5483785366979164
Energy: 1.5493059834342684
Energy: 1.2757371550544945
Energy: 1.5483204871768088
Energy: 1.5440349112089324
Energy: 1.2694686646076112
Energy: 1.5482727833084153
Energy: 1.5484242399505808
Energy: 1.276459678225479
Energy: 1.5481023151055817
Energy: 1.5319759357791378
Energy: 1.268673245887847
Energy: 1.5488986313186157
Energy: 1.5496761780736108
Energy: 1.2846017294414211
Energy: 1.5482037675979934
Energy: 1.4222714485205383
Energy: 1.2810271366054045
Energy: 1.4255894819342199
Energy: 1.5571859530929786
Energy: 1.2801600000362057
Energy: 1.5433929126287007
Energy: 1.4294301846940691
Energy: 1.2753228822132872
Energy: 1.4224596251755435
Energy: 1.422627205265875
Energy: 1.4177733118235927
Energy: 1.4221042772532884
Energy: 1.4219682525800685
Energy: 1.2884088846152542
Energy: 1.4251588023839201
Energy: 1.5443322380438842
Energy: 1.2800153617700767
Energy: 1.542846332431032
Energy: 1.4245361545464195
Energy: 1.2787730748503514
Energy: 1.4210388927076079
Energy: 1.5435497880324773
Energy: 1.285247495100929
Energy: 1.5430879565080973
Energy: 1.2788910380833063
Energy: 1.2793695522333288
Energy: 1.4216026365610597
Energy: 1.5319417972610831
Energy: 1.269854723798434
Energy: 1.4223231005043777
Energy: 1.4202202217719637
Energy: 1.2802801563022632
Energy: 1.4250738814659434
Energy: 1.5696701657739314
Energy: 1.27109301358015
Energy: 1.4302413713406026
Energy: 1.2789104422674156
Energy: 1.2792494483685308
Energy: 1.543307472707911
Energy: 1.5491119135294675
Energy: 1.282551934666554
Energy: 1.5494153454287791
Energy: 1.4206092449864776
Energy: 1.277149204018067
Energy: 1.5494710935631049
Energy: 1.5503768947252787
Energy: 1.275252473238778
Energy: 1.5570520890787152
Energy: 1.5491159314523826
Energy: 1.2784458212744687
Energy: 1.5586372484602236
Energy: 1.549050438525534
Energy: 1.2700584038597604
Energy: 1.548654292615845
Energy: 1.550325185829238
Energy: 1.2846492142742503
Energy: 1.557328893028495
Energy: 1.4207520928229884
Energy: 1.278539456946176
Energy: 1.544097783133483
Energy: 1.5570815412646386
Energy: 1.2657615794288233
Energy: 1.421753615553267
Energy: 1.4210957728483584
Energy: 1.2729493744698137
Energy: 1.4214181523014866
Energy: 1.5490736397647256
Energy: 1.2664542188906918
Energy: 1.5721500631662964
Energy: 1.4247985530001233
Energy: 1.2879328026606052
Energy: 1.425683140475394
Energy: 1.5707731556614892
Energy: 1.28245847451124
Energy: 1.5427107977191288
Energy: 1.4210478843303394
Energy: 1.275333373492499
Energy: 1.542701947244689
Energy: 1.5497106296681642
Energy: 1.2704948372737315
Energy: 1.570223404273193
Energy: 1.42534835087028
Energy: 1.2886107250921717
Energy: 1.430280264833411
Energy: 1.5691645197777087

minimum gb energy = 1.2657615794288233 eV
minimum distance =  2.24547551341434 Angstroms
sigma value = 11


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

Energy: 1.3324737835803608
Energy: 1.3154423929411436
Energy: 1.293745729393356
Energy: 1.2990405518688843
Energy: 1.2944797827400378
Energy: 1.335010658431697
Energy: 1.4264545243566336
Energy: 1.4702104780283287
Energy: 1.303094385186335
Energy: 1.1924502376717276
Energy: 1.3057777705117228
Energy: 1.5315036234687016
Energy: 1.4309876903078462
Energy: 1.477997391925188
Energy: 1.398292331514034
Energy: 1.1987096723640525
Energy: 1.4619296929966297
Energy: 1.5277334095874906
Energy: 1.2955974129039995
Energy: 1.4622226124428526
Energy: 1.4636504982676406
Energy: 1.1993814313886566
Energy: 1.4617656143704378
Energy: 1.529359637826294
Energy: 1.2568801063531463
Energy: 1.4641162576825106
Energy: 1.464100304719325
Energy: 1.2145769988551491
Energy: 1.4623603366867404
Energy: 1.5142219630636884
Energy: 1.4350177675001266
Energy: 1.444066726612676
Energy: 1.486656425556855
Energy: 1.1499236149690724
Energy: 1.489153393669918
Energy: 1.5238537836599089
Energy: 1.4273837917393082
Energy: 1.4419164658360866
Energy: 1.43741809227581
Energy: 1.4017037157437258
Energy: 1.4374383964988804
Energy: 1.3344296477237945
Energy: 1.3019901919264871
Energy: 1.4406126573376548
Energy: 1.4598944366638955
Energy: 1.3468703730136904
Energy: 1.45899481793768
Energy: 1.477622797981632
Energy: 1.3891402016382601
Energy: 1.2934352050525788
Energy: 1.4394084643239884
Energy: 1.406938591851357
Energy: 1.4580589428817978
Energy: 1.3063413665748245
Energy: 1.3256401055548295
Energy: 1.2768153473001411
Energy: 1.28843519499498
Energy: 1.4732012806181554
Energy: 1.277675508400742
Energy: 1.277600357943334
Energy: 1.3242466838002585
Energy: 1.2768467143945161
Energy: 1.2913393117939436
Energy: 1.2949749022138743
Energy: 1.2919427692826086
Energy: 1.2794941529277633
Energy: 1.325624896745491
Energy: 1.4211518326926125
Energy: 1.4180160487869269
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Energy: 1.4167252206276195
Energy: 1.259968798169901
Energy: 1.2429348079816138
Energy: 1.3686003685182404
Energy: 1.4367018655506487
Energy: 1.2674076265548047
Energy: 1.3717949377986394
Energy: 1.3756972455287266
Energy: 1.2363845696408966
Energy: 1.3721009490710923
Energy: 1.3703798233243767
Energy: 1.1563441386476099
Energy: 1.371958302189539
Energy: 1.372431755077201
Energy: 1.342550984299703
Energy: 1.429777291986343
Energy: 1.5143306803054382
Energy: 1.1533276934389027
Energy: 1.4947091901278216
Energy: 1.399258626329546
Energy: 1.3489150008075341
Energy: 1.448567007758296
Energy: 1.4787640264292035
Energy: 1.1551790037132552
Energy: 1.4795755086209716
Energy: 1.3171591602773087
Energy: 1.3473250252743134
Energy: 1.4487706209281161
Energy: 1.4817206603684812
Energy: 1.4717881102950559
Energy: 1.447973710706221
Energy: 1.4479030164394586
Energy: 1.342575714202869
Energy: 1.4508004952820885
Energy: 1.465679668753143
Energy: 1.2967425672170172
Energy: 1.5167164075963546
Energy: 1.4480347693652575
Energy: 1.3921948930894161
Energy: 1.518758972669318
Energy: 1.4527207862437959
Energy: 1.1493685192494174
Energy: 1.4402821443202767
Energy: 1.4571766351090951
Energy: 1.2926739008691641
Energy: 1.4377142515793413
Energy: 1.4401689840711978
Energy: 1.1500969721304821
Energy: 1.4385521459899846
Energy: 1.483484181261149
Energy: 1.4246423636767627
Energy: 1.4738470155951269
Energy: 1.4394288994345448
Energy: 1.3254221517690923
Energy: 1.4380121319263897
Energy: 1.4683414659772935
Energy: 1.3482680314326818
Energy: 1.442083966295659
Energy: 1.3006105795908498
Energy: 1.2116430448183102
Energy: 1.2990239621511157
Energy: 1.4403959323741735
Energy: 1.2909534799965827
Energy: 1.290913538173839
Energy: 1.2889640621588778
Energy: 1.2118401070619371
Energy: 1.29458388741727
Energy: 1.4183786803322729
Energy: 1.2938641983934402
Energy: 1.3030616677082847
Energy: 1.290256113495278
Energy: 1.1768387935847466
Energy: 1.303770634637633
Energy: 1.3502184632805236
Energy: 1.422557676058746
Energy: 1.398167391142503
Energy: 1.354515650320001
Energy: 1.1783137155413221
Energy: 1.3542116190155415
Energy: 1.5071128106717575
Energy: 1.3486952136693795
Energy: 1.3028476927384876
Energy: 1.293203548371528
Energy: 1.181335609004797
Energy: 1.295140445215629
Energy: 1.3423986791342963

minimum gb energy = 1.1493685192494174 eV
minimum distance =  2.22739151857237 Angstroms
sigma value = 41


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

Energy: 1.6618443267860765
Energy: 1.1448182239014384
Energy: 1.1462675045000927
Energy: 1.053714851338729
Energy: 1.1450013508925083
Energy: 1.3506819813570254
Energy: 1.2572249513906193
Energy: 1.2888482496712896
Energy: 1.1593548520865926
Energy: 1.083845280150705
Energy: 1.147980693775172
Energy: 1.3411222103507618
Energy: 1.1298229990625324
Energy: 1.2886671844671567
Energy: 1.2885369820861852
Energy: 1.0828030567093754
Energy: 1.2879844079889942
Energy: 1.3411396940452474
Energy: 1.0451292080659833
Energy: 1.2887579931300837
Energy: 1.2878482011418229
Energy: 1.0825524488149927
Energy: 1.287993100695539
Energy: 1.4865064489063993
Energy: 1.0455159969662968
Energy: 1.2897081718991938
Energy: 1.2880030039973305
Energy: 1.223698102409128
Energy: 1.2881734368413642
Energy: 1.48590498209087
Energy: 1.1299888189482852
Energy: 1.343502600227355
Energy: 1.3660160325530943
Energy: 1.381514975695209
Energy: 1.3441537799141203
Energy: 1.3432941673177439
Energy: 1.052248112499036
Energy: 1.3764057244249797
Energy: 1.3432197544244053
Energy: 1.3424812463911975
Energy: 1.3433527505535159
Energy: 1.3440621109862754
Energy: 1.0442205049762583
Energy: 1.3433204824425602
Energy: 1.3793697933695297
Energy: 1.3822268841510488
Energy: 1.3783486484447072
Energy: 1.4624498274856512
Energy: 1.05170665831146
Energy: 1.3343660732470852
Energy: 1.343972072349857
Energy: 1.34057396347339
Energy: 1.3445101743985846
Energy: 1.3017853904630383
Energy: 1.0512684155697818
Energy: 1.2889613874688521
Energy: 1.2880760713949617
Energy: 1.3803749364180895
Energy: 1.2882191725571819
Energy: 1.2881986635436782
Energy: 1.082294531155685
Energy: 1.2895339761682156
Energy: 1.2894515848334058
Energy: 1.3796762290465785
Energy: 1.2891932372604242
Energy: 1.2882557534773285
Energy: 1.0827032247515969
Energy: 1.2879387318416675
Energy: 1.3245705077773802
Energy: 1.3412861188140421
Energy: 1.2880215433838385
Energy: 1.239445162466379
Energy: 1.051554511990092
Energy: 1.1446751629585137
Energy: 1.223149798203933
Energy: 1.3414881244532664
Energy: 1.222002676309984
Energy: 1.1438596489033745
Energy: 1.0462943714897863
Energy: 1.143809239562783
Energy: 1.287565526358026
Energy: 1.3711429352789253
Energy: 1.143055657722882
Energy: 1.1431806061914234
Energy: 1.0510762740689241
Energy: 1.1449924103601237
Energy: 1.2688213964375212
Energy: 1.3560743056448508
Energy: 1.1448730712118214
Energy: 1.1440863381297512
Energy: 1.0505860539924745
Energy: 1.1437976735736708
Energy: 1.2676890200987085
Energy: 1.3795724936777023
Energy: 1.2684382613066112
Energy: 1.1436552084716975
Energy: 1.0462003251163876
Energy: 1.1433996282077157
Energy: 1.2254622475306298
Energy: 1.3388989724490445
Energy: 1.143854410515958
Energy: 1.0526677381838487
Energy: 1.0515853645293585
Energy: 1.1447354573917932
Energy: 1.222150411846992
Energy: 1.3365985840370933
Energy: 1.2221064648206486
Energy: 1.2190947605630011
Energy: 1.0840830176416743
Energy: 1.2884907040356308
Energy: 1.2886623520797515
Energy: 1.3410459666768981
Energy: 1.2883850824102667
Energy: 1.1446295991129587
Energy: 1.0864054730849328
Energy: 1.2887371837332757
Energy: 1.2898194283231699
Energy: 1.3364424163281003
Energy: 1.288966883433048
Energy: 1.288397745642054
Energy: 1.0516447827017836
Energy: 1.2895211095573085
Energy: 1.4874361373815874
Energy: 1.4531139306261602
Energy: 1.2886897000157058
Energy: 1.2883594919928696
Energy: 1.0519022780417147
Energy: 1.3603468478177105
Energy: 1.3443124291121213
Energy: 1.3413632597415448
Energy: 1.3426649061367704
Energy: 1.3015210796416403
Energy: 1.0528082415131221
Energy: 1.3429504471361673
Energy: 1.3792411531014264
Energy: 1.38251269153113
Energy: 1.3430335046049986
Energy: 1.4186006195203946
Energy: 1.0514766076439834
Energy: 1.343668487583877
Energy: 1.3430310079272394
Energy: 1.4435040633517073
Energy: 1.3434338688560223
Energy: 1.3442850598342861
Energy: 1.1296767907101943
Energy: 1.3431306277516522
Energy: 1.3325424522036033
Energy: 1.3825253240269166
Energy: 1.3441585430198555
Energy: 1.3429285982732346
Energy: 1.0771466773966532
Energy: 1.2888395226533256
Energy: 1.288322833219606
Energy: 1.2245573100803224
Energy: 1.2881024928793836
Energy: 1.3765866172587085
Energy: 1.0660776995240593
Energy: 1.288588680122187
Energy: 1.287873680839285
Energy: 1.082599949022633
Energy: 1.2880754046441993
Energy: 1.2889687221321964
Energy: 1.131814794155886
Energy: 1.323687454351052
Energy: 1.2881545120753217
Energy: 1.3117201275550472
Energy: 1.2880401518959002
Energy: 1.3780867022340642
Energy: 1.1217613608273
Energy: 1.222107756821298
Energy: 1.1489170712114707
Energy: 1.0847859561922388
Energy: 1.1482270359877795
Energy: 1.2884784214464502
Energy: 1.112057057425658
Energy: 1.1445978560909378
Energy: 1.1442756228706854
Energy: 1.0496827319642914
Energy: 1.1442471223921442
Energy: 1.3717368739856115
Energy: 1.1218109016386482
Energy: 1.1441268135732199
Energy: 1.1465352884879183
Energy: 1.0515496808902747
Energy: 1.148688296522102
Energy: 1.2244127305867858
Energy: 1.129730991701564
Energy: 1.2271313884926376
Energy: 1.1429056728801181
Energy: 1.0490977582895749
Energy: 1.2277929572567132
Energy: 1.3411349294374502
Energy: 1.0440816606377237
Energy: 1.1593462021402285
Energy: 1.1439572841797623
Energy: 1.0495687190768233
Energy: 1.143499513928158
Energy: 1.2249159855238523

minimum gb energy = 1.0440816606377237 eV
minimum distance =  2.23471688240834 Angstroms
sigma value = 33


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

Energy: 1.9160212177534615
Energy: 0.917021469973301
Energy: 0.9166242085837308
Energy: 1.0643585593700904
Energy: 0.9892006824895904
Energy: 1.2660138719822869
Energy: 1.5928670825620137
Energy: 1.036132081059061
Energy: 0.9870731845710394
Energy: 1.0289655769103434
Energy: 1.0359418257689141
Energy: 1.1365387337444792
Energy: 1.7324956073699176
Energy: 1.0921063820393415
Energy: 1.0920755254699637
Energy: 1.1127753045150932
Energy: 1.0914899517552474
Energy: 1.1349286733378203
Energy: 1.7805382805095666
Energy: 1.0912517035760076
Energy: 1.0923685871047095
Energy: 1.1111013876788733
Energy: 1.0942324705871507
Energy: 1.2462106009322587
Energy: 1.7807071959795653
Energy: 1.151568334357973
Energy: 1.0915313742814132
Energy: 1.1450170460536089
Energy: 1.1054144350713435
Energy: 1.2451731990102255
Energy: 1.781301146011459
Energy: 1.1439373855600419
Energy: 1.188348747799154
Energy: 1.1817168982037358
Energy: 1.1469234879379215
Energy: 1.1438746198880454
Energy: 1.7341948715610207
Energy: 1.1765418204920821
Energy: 1.143664876503966
Energy: 1.2696146755915871
Energy: 1.1483672665102773
Energy: 1.1666484166398878
Energy: 1.3967609903193177
Energy: 1.1437400199125027
Energy: 1.1437129306673002
Energy: 1.1653921923118364
Energy: 1.148844434403773
Energy: 1.2534008878165541
Energy: 1.7818555409940458
Energy: 1.180726465694541
Energy: 1.1439714931021499
Energy: 1.1451529256431368
Energy: 1.1771835456663344
Energy: 1.1780951130233608
Energy: 1.734285277191328
Energy: 1.152665562947327
Energy: 1.202727079849922
Energy: 1.2227450046740613
Energy: 1.1534661874712782
Energy: 1.1519153991777997
Energy: 1.3998113611460705
Energy: 1.1525622339606405
Energy: 1.1519281889371011
Energy: 1.1997924387067902
Energy: 1.1536297783202323
Energy: 1.248074373196742
Energy: 1.3939240016544128
Energy: 1.2472436688009698
Energy: 1.1522276890245209
Energy: 1.152983449088335
Energy: 1.1534736799550582
Energy: 1.223205576601825
Energy: 1.5920639852559366
Energy: 1.1454844781802327
Energy: 1.1825632413524623
Energy: 1.1788837923954045
Energy: 1.2038636815110324
Energy: 1.1442092153780659
Energy: 1.3642385744812346
Energy: 1.146053658321787
Energy: 1.2012261083789944
Energy: 1.2462990130126181
Energy: 1.1436719942507052
Energy: 1.1436945000710954
Energy: 1.3127590712961292
Energy: 1.1470579404184196
Energy: 1.1706699183856297
Energy: 1.153357657103909
Energy: 1.1439626681879709
Energy: 1.1448438431922356
Energy: 1.2711474993302276
Energy: 1.1658112750454859
Energy: 1.1447269371017754
Energy: 1.1524838136721438
Energy: 1.1460805896074175
Energy: 1.1515816896547972
Energy: 1.2677415061745387
Energy: 1.091274589117144
Energy: 1.250857127486985
Energy: 1.2515312186844818
Energy: 1.0910757794338053
Energy: 1.0927602697811898
Energy: 1.1080798166236268
Energy: 1.0914801361191018
Energy: 1.168040463629916
Energy: 1.1832772435282792
Energy: 1.092819356512838
Energy: 1.0924583976520974
Energy: 1.1063038934227711
Energy: 1.0913444796242413
Energy: 1.09311868944285
Energy: 1.1514045086927691
Energy: 1.0926362766832016
Energy: 1.0338274515921195
Energy: 1.0291029128803604
Energy: 0.9810219192715697
Energy: 1.0381851677764158
Energy: 1.151668850897322
Energy: 1.0362956512071773
Energy: 0.9793426371409748
Energy: 0.9155186554380549
Energy: 0.9815555534943192
Energy: 1.1522953541655325
Energy: 1.2121833972077751
Energy: 0.9802739428707068
Energy: 0.9814636025163952
Energy: 0.9147959899582812
Energy: 0.9810953971612305
Energy: 1.0728714143795894
Energy: 1.1530121820286685
Energy: 1.0452811654940528
Energy: 0.9857818921713999
Energy: 0.9170108403214083
Energy: 0.9823516999161562
Energy: 1.0752245155075906
Energy: 1.1556369285076176
Energy: 1.0741840808297938
Energy: 0.9833923445383813
Energy: 0.9162751174805305
Energy: 0.9823138537620145
Energy: 1.245560834418283
Energy: 1.2465455919161719
Energy: 0.9821216294116641
Energy: 0.9171175381642194
Energy: 1.0258352316452435
Energy: 0.980196852473147
Energy: 1.036612589531893
Energy: 1.1538008758592564
Energy: 1.0371673370172811
Energy: 1.0310815248309082
Energy: 1.1078850222098713
Energy: 1.0920743072753198
Energy: 1.1351677132665912
Energy: 1.150942958184808
Energy: 1.0928545829026952
Energy: 1.0757027134430694
Energy: 1.1103724973096931
Energy: 1.0923258368380375
Energy: 1.1525456816175943
Energy: 1.2197382940367767
Energy: 1.0917211912622289
Energy: 1.0915320006495557
Energy: 1.265983696202924
Energy: 1.0957642682578936
Energy: 1.2462970849825263
Energy: 1.1992408659954947
Energy: 1.151420256471418
Energy: 1.0920841615282697
Energy: 1.2797790599091623
Energy: 1.190737057974874
Energy: 1.144461442036926
Energy: 1.1516520542404094
Energy: 1.1444301879417134
Energy: 1.15240889603736
Energy: 1.274149183835044
Energy: 1.1434131474758025
Energy: 1.1781572024434004
Energy: 1.153984645387146
Energy: 1.1992224821723332
Energy: 1.1872684489557772
Energy: 1.280631519612056
Energy: 1.1488503625638669
Energy: 1.2545233236014897
Energy: 1.2368035077681363
Energy: 1.1444065455544505
Energy: 1.1435996051752046
Energy: 1.5887972529237162
Energy: 1.1484702919706935
Energy: 1.1809449396812985
Energy: 1.1543892043343682
Energy: 1.215526798879032
Energy: 1.1440952799141908
Energy: 1.5904776920360935
Energy: 1.2029173107800386
Energy: 1.151778571134965
Energy: 1.1520258419293092
Energy: 1.1539029647016734
Energy: 1.247815548306307
Energy: 1.596488605368716
Energy: 1.1524999718715996
Energy: 1.1518005441323143
Energy: 1.2002029380879435
Energy: 1.1532244800629081
Energy: 1.2026302097922534
Energy: 1.7820887098222316
Energy: 1.1524814212998833
Energy: 1.2473772359676165
Energy: 1.2003332713801764
Energy: 1.1532611925062846
Energy: 1.1518221460770022
Energy: 1.5994505283677722
Energy: 1.1812123903430811
Energy: 1.1437954903374898
Energy: 1.1436317955493758
Energy: 1.1439241497035033
Energy: 1.1815039871520487
Energy: 1.5965473640616814
Energy: 1.1439285276406346
Energy: 1.14363920637527
Energy: 1.2519394978547465
Energy: 1.1437311049751446
Energy: 1.2478757837958758
Energy: 1.7852008227225142
Energy: 1.1960655110056952
Energy: 1.1437497748571048
Energy: 1.0989176009078878
Energy: 1.14390544583922
Energy: 1.1463846241755873
Energy: 1.781592540211741
Energy: 1.1438189222594992
Energy: 1.1508942454440152
Energy: 1.2516336145042397
Energy: 1.170173248714654
Energy: 1.144233124908343
Energy: 1.7846223519467683
Energy: 1.1547825988470455
Energy: 1.0924668805340254
Energy: 1.1469502902807764
Energy: 1.0910779793759242
Energy: 1.2506278346258253
Energy: 2.099046938098142
Energy: 1.0915167468008526
Energy: 1.09212473438093
Energy: 1.112556969143395
Energy: 1.0909362767237403
Energy: 1.1519041501443916
Energy: 1.7808969973568094
Energy: 1.0939976239900153
Energy: 1.0919371173843395
Energy: 1.1107032293995163
Energy: 1.091241584291982
Energy: 1.1348005335658178
Energy: 1.7797616437378205
Energy: 1.034883827454597
Energy: 0.9799638470427012
Energy: 1.0315329342467594
Energy: 0.9821296339044697
Energy: 1.0340686280280431
Energy: 2.0999545955857055
Energy: 0.9815474662105912
Energy: 0.981644312708303
Energy: 0.9160982899370193
Energy: 0.9827493672684722
Energy: 1.251157850677302
Energy: 1.785825110477011
Energy: 1.011189422266838
Energy: 0.9804517355642713
Energy: 0.9165245742251772
Energy: 0.9811833908863542
Energy: 1.0928567350867908
Energy: 1.590452454065163
Energy: 1.0755040995564016
Energy: 0.9813151781527232
Energy: 0.9154061975046586
Energy: 0.9816550279909085
Energy: 1.136286115247798
Energy: 1.7811094649873886
Energy: 0.981949898950267
Energy: 0.9820093592378454
Energy: 0.915893975981278
Energy: 0.9838042285140018
Energy: 1.2454271051603398

minimum gb energy = 0.9147959899582812 eV
minimum distance =  2.30071511089147 Angstroms
sigma value = 67


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

Energy: 0.33921256392360183
Energy: 0.40360156912624656
Energy: 0.4022950536563699
Energy: 0.4025844554812794
Energy: 0.4012508845206204
Energy: 0.2597715251346735
Energy: 1.7300101075117598
Energy: 0.4017635253861412
Energy: 0.38904342638444744
Energy: 0.3882055251716006
Energy: 0.4015580673424489
Energy: 0.40160590997251994
Energy: 1.715465840946766
Energy: 0.3882995773120989
Energy: 0.38835542127481193
Energy: 0.3883998210508537
Energy: 0.3882022081745323
Energy: 0.38806413500020964
Energy: 0.24577690222241044
Energy: 0.38761248571247076
Energy: 0.38838358219165287
Energy: 0.40255969843971473
Energy: 0.387697499344527
Energy: 0.24526308841250216
Energy: 0.24516961499023296
Energy: 0.3873592851863326
Energy: 0.387858614235503
Energy: 0.3883740552512061
Energy: 0.38730332039323573
Energy: 0.2452043731937669
Energy: 1.7152745321368563
Energy: 0.3879232450325779
Energy: 0.38834415104527553
Energy: 0.40237249410376436
Energy: 0.388132478843561
Energy: 0.38774088681243823
Energy: 0.2452018228334302
Energy: 0.40242008691617814
Energy: 0.38867071278193666
Energy: 0.3889036044461335
Energy: 0.3893279440224662
Energy: 0.40221471433564243

minimum gb energy = 0.24516961499023296 eV
minimum distance =  2.42884813869168 Angstroms
sigma value = 3


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

Energy: 2.0055931615443825
Energy: 1.015248811334646
Energy: 1.0231217113705624
Energy: 1.1210393419105231
Energy: 1.0230487265657195
Energy: 1.1876774974860214
Energy: 2.618224762709471
Energy: 1.0015180344134904
Energy: 0.8897822064949614
Energy: 0.8923654123431243
Energy: 0.8904165082415272
Energy: 1.123876656709079
Energy: 2.370732535700577
Energy: 1.1215333748028884
Energy: 0.9107374725475453
Energy: 0.9127378237377094
Energy: 0.9110898758090855
Energy: 1.1352253820556306
Energy: 2.168959253180675
Energy: 1.0238987627394618
Energy: 0.8890248259562361
Energy: 0.8917278615141059
Energy: 1.02206370121058
Energy: 1.1538520762065543
Energy: 2.1320661579567917
Energy: 1.0217093572547207
Energy: 1.0214274946137705
Energy: 1.0649599613889909
Energy: 1.0217035044279876
Energy: 1.151882005906988
Energy: 2.371297209744356
Energy: 1.1237769655538365
Energy: 1.0226017396777123
Energy: 1.027738017161524
Energy: 1.0268007895319438
Energy: 1.1701302431313472
Energy: 2.37559496259765
Energy: 1.1537497050306076
Energy: 0.9991428567409174
Energy: 1.0298710468162533
Energy: 1.0029701644330273
Energy: 1.1543894005719226
Energy: 1.945625536738171
Energy: 1.1550629351988118
Energy: 1.1608681853884955
Energy: 1.0339769801006884
Energy: 1.1537104348196274
Energy: 1.185827936749291
Energy: 2.378103104378233
Energy: 1.1666915172664278
Energy: 1.1595844534318784
Energy: 1.1423048550825967
Energy: 1.1638623773601888
Energy: 1.1561364030552401
Energy: 2.3384459391052794
Energy: 1.1874002610043028
Energy: 1.1550669591091125
Energy: 1.2027525418427318
Energy: 1.155832066677947
Energy: 1.1878140008380855
Energy: 1.9456538573583586
Energy: 1.1852198629219342
Energy: 1.1510673064288868
Energy: 1.2005558644548258
Energy: 1.1515031413889687
Energy: 1.1845202632687697
Energy: 1.9466396934549401
Energy: 1.1849534861663495
Energy: 1.1857399477894162
Energy: 1.185750450528858
Energy: 1.185644339136598
Energy: 1.1861887309112302
Energy: 2.1309069370793794
Energy: 1.1758836044101522
Energy: 1.187134006297371
Energy: 1.1279944851417092
Energy: 1.1847157253197456
Energy: 1.2105642223602806
Energy: 1.9231075451895294
Energy: 1.1922745326949453
Energy: 1.2075746063572292
Energy: 1.2056015597985605
Energy: 1.1706370661224559
Energy: 1.192924535956541
Energy: 1.7248493953029862
Energy: 1.1919274031019682
Energy: 1.1925518949511815
Energy: 1.2158422948284386
Energy: 1.1980481035949317
Energy: 1.1922192056588552
Energy: 1.7395100957324012
Energy: 1.192714193018947
Energy: 1.1924345063541635
Energy: 1.1613978714229316
Energy: 1.1918142822534552
Energy: 1.1988755345945425
Energy: 1.7385263534575608
Energy: 1.1712782334917238
Energy: 1.192823810598202
Energy: 1.1724674681161877
Energy: 1.1913709350655286
Energy: 1.2065772682368814
Energy: 1.7742263100872675
Energy: 1.1870252165510087
Energy: 1.1757624907610742
Energy: 1.201892423624499
Energy: 1.176001827360762
Energy: 1.185268348677815
Energy: 1.754482873764047
Energy: 1.1847036874250982
Energy: 1.1847154007589185
Energy: 1.2175795210133191
Energy: 1.1853254737507621
Energy: 1.1864847797060636
Energy: 1.360421409392023
Energy: 1.1497761690237995
Energy: 1.1849152883344998
Energy: 1.1783206019038526
Energy: 1.1847915464480585
Energy: 1.163731638776287
Energy: 1.384522596743796
Energy: 1.1555864923026469
Energy: 1.1860709917824857
Energy: 1.224547094858272
Energy: 1.1541605698068953
Energy: 1.153906361983566
Energy: 1.384108003964197
Energy: 1.1584912105430674
Energy: 1.1694607052978487
Energy: 1.229319629347349
Energy: 1.1732552104634923
Energy: 1.1566894108781987
Energy: 1.0337988227210264
Energy: 1.1536608159143613
Energy: 1.1867911524702388
Energy: 1.2008094369907394
Energy: 1.04002216577999
Energy: 1.0048912710967903
Energy: 1.0361677245278555
Energy: 1.0034885357160237
Energy: 1.1538267227264898
Energy: 1.1814905637141195
Energy: 1.1539596513178487
Energy: 1.0028357908223242
Energy: 1.0686221308680388
Energy: 1.0221670981576625
Energy: 1.1348434417560525
Energy: 1.1860449896876153
Energy: 1.124213218898325
Energy: 1.0221002246299957
Energy: 1.066497157764911
Energy: 1.0216081001244057
Energy: 1.1259122858303583
Energy: 1.1688362308998796
Energy: 1.0219916483038929
Energy: 1.0244131306278939
Energy: 0.8910848762213476
Energy: 0.8896664775060171
Energy: 1.1281266026942798
Energy: 1.164456561314887
Energy: 1.0229423178674837
Energy: 0.889503009423625
Energy: 0.9111318894300214
Energy: 0.9113527059889003
Energy: 1.135741428208451
Energy: 1.209016484913912
Energy: 1.1200111461401452
Energy: 0.9103399601251575
Energy: 0.8913597400371022
Energy: 0.8893308408295301
Energy: 1.130860335760457
Energy: 1.1807437431325247
Energy: 1.0217696261129448
Energy: 0.8893324905600457
Energy: 0.8986095833906901
Energy: 1.023459049921795
Energy: 1.1542341890417251
Energy: 1.1754052210974413
Energy: 1.0240028565393453
Energy: 1.0227379535263599
Energy: 1.0689033980543496
Energy: 1.0162534305376436
Energy: 1.1397531472778064
Energy: 1.1828244263661305
Energy: 0.8905128627387406
Energy: 1.022162722620569
Energy: 1.0649421991372165
Energy: 1.0267527577739788
Energy: 1.155710825186723
Energy: 1.1837809113136022
Energy: 1.1314339183451259
Energy: 1.0245013964306946
Energy: 1.0290671114183847
Energy: 1.1297333838868235
Energy: 1.154246350006838
Energy: 1.1697956453802372
Energy: 1.1540198416107657
Energy: 1.0003411807972848
Energy: 1.3900612009579554
Energy: 1.1560154123883353
Energy: 1.153290314413633
Energy: 1.1954641264580417
Energy: 1.1537972017487774
Energy: 1.1535404325891676
Energy: 1.3923917269504449
Energy: 1.161085914232879
Energy: 1.1539158682075734
Energy: 1.1776255558466615
Energy: 1.1543877831478553
Energy: 1.1548099070717106
Energy: 1.3680841786551385
Energy: 1.1480392141408788
Energy: 1.1857095594607607
Energy: 1.175750833804047
Energy: 1.1850647640069334
Energy: 1.1595161321564635
Energy: 1.5457536717340359
Energy: 1.1898151692509504
Energy: 1.1851301544163595
Energy: 1.1698694905068328
Energy: 1.1846253281487207
Energy: 1.184995233443551
Energy: 1.5441830895692465
Energy: 1.189937366968033
Energy: 1.1771241914903798
Energy: 1.184148841001367
Energy: 1.1949391659671524
Energy: 1.188953539112888
Energy: 1.7281282979955006
Energy: 1.1841927308812064
Energy: 1.2078589469777525
Energy: 1.2085842679718963
Energy: 1.17121905677168
Energy: 1.1850390569797011
Energy: 1.7335325862942117
Energy: 1.1770788885532881
Energy: 1.192948116275084
Energy: 1.1471139389782237
Energy: 1.1959865357966175
Energy: 1.2060255530707484
Energy: 1.9322401641787623
Energy: 1.1938433016129593
Energy: 1.192614316049773
Energy: 1.173214650322496
Energy: 1.1938478456650243
Energy: 1.1922248670265623
Energy: 1.947727517922758
Energy: 1.1935525292724602
Energy: 1.1717751031751658
Energy: 1.206390411166293
Energy: 1.1726248719571666
Energy: 1.1924436598371388
Energy: 2.135563603057256
Energy: 1.1731436720190347
Energy: 1.1857536531778097
Energy: 1.1835678795906897
Energy: 1.1751029549717196
Energy: 1.2089145233883836
Energy: 2.1425113766761794
Energy: 1.1848363749054607
Energy: 1.1890811558142336
Energy: 1.1465484127066219
Energy: 1.1883083957358729
Energy: 1.1863861589133662
Energy: 1.934127338119966
Energy: 1.1865729838226182
Energy: 1.1479373805604298
Energy: 1.1999781717082196
Energy: 1.1840797661678377
Energy: 1.1912568856301031
Energy: 2.1366554171732943
Energy: 1.1854138650095205
Energy: 1.1608758427612813
Energy: 1.1981867379615512
Energy: 1.1491043911493686
Energy: 1.1851002967301532
Energy: 2.3717166022153435
Energy: 1.1548633009059464
Energy: 1.1585811688402923
Energy: 1.1414077233483384
Energy: 1.156610716848561
Energy: 1.1873492044216163
Energy: 1.9292588594001991
Energy: 1.1533156089491008
Energy: 1.1555164880616773
Energy: 1.20251249729382
Energy: 1.1534531438373092
Energy: 1.1760887246975211
Energy: 1.929845829593181
Energy: 1.153324057115443
Energy: 0.9985948412237459
Energy: 1.0266257406661652
Energy: 1.1284562834120417
Energy: 1.1741305093143894
Energy: 2.3705023790349706
Energy: 1.1327778417943526
Energy: 1.0216923904593238
Energy: 1.0651821543606368
Energy: 1.0269786892381172
Energy: 1.1669989843082706
Energy: 2.4088450193137754
Energy: 0.9960443590388987
Energy: 1.0222389711200035
Energy: 1.026272363136814
Energy: 1.0221475874081085
Energy: 1.1211813046794477

minimum gb energy = 0.8890248259562361 eV
minimum distance =  2.20966160168773 Angstroms
sigma value = 81


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

Energy: 2.060034583080586
Energy: 1.2728007592878499
Energy: 1.1669141636942937
Energy: 1.0071990659763554
Energy: 1.1657557435958883
Energy: 1.37974486906814
Energy: 2.3214988612399394
Energy: 1.1890631378287824
Energy: 1.0103870573970832
Energy: 1.0103233718420397
Energy: 1.0130118134058905
Energy: 1.320999113752475
Energy: 1.978800921747307
Energy: 1.3101008526614684
Energy: 1.0369411616863022
Energy: 1.0372491992397517
Energy: 1.037118303116233
Energy: 1.336930550679909
Energy: 1.9846089993181808
Energy: 1.1882402505648602
Energy: 1.0137332572217133
Energy: 1.014487764155801
Energy: 1.1884210202689878
Energy: 1.338912436208359
Energy: 1.9846173522651567
Energy: 1.189125848560543
Energy: 1.1886787996554746
Energy: 1.2509435694098223
Energy: 1.1880296868073768
Energy: 1.3386668600362235
Energy: 1.978776787768329
Energy: 1.3258309188091426
Energy: 1.1884920420250973
Energy: 1.1894334003372262
Energy: 1.191501623940122
Energy: 1.3891997820346091
Energy: 2.001695775665212
Energy: 1.3563668211484983
Energy: 1.160905631206209
Energy: 1.2157610381706898
Energy: 1.167985406508429
Energy: 1.3568987301141133
Energy: 1.8164288619359874
Energy: 1.3591601887507436
Energy: 1.3673698614810592
Energy: 1.1900852994147737
Energy: 1.3569497765461467
Energy: 1.3795796476028501
Energy: 2.002317685993312
Energy: 1.377219193847878
Energy: 1.3575936386685672
Energy: 1.321855046056953
Energy: 1.3529217072759683
Energy: 1.3840195217740523
Energy: 1.957619386882678
Energy: 1.376931451420393
Energy: 1.3572224132179143
Energy: 1.4521795353894849
Energy: 1.3553015374139137
Energy: 1.38736082641428
Energy: 1.5785809767023469
Energy: 1.3762928859983343
Energy: 1.3498231478392289
Energy: 1.4567638977851263
Energy: 1.3437022376256795
Energy: 1.3761986345523884
Energy: 1.7021689180942043
Energy: 1.3764126235690106
Energy: 1.3762998066170882
Energy: 1.4351570633945105
Energy: 1.3778092968947138
Energy: 1.3761746657780114
Energy: 1.7012838539173172
Energy: 1.3539438897188543
Energy: 1.376231513499209
Energy: 1.3321950664786448
Energy: 1.3763904913869707
Energy: 1.3106921772428244
Energy: 1.474399205485065
Energy: 1.3093544472227665
Energy: 1.3878008526136656
Energy: 1.4459300502875645
Energy: 1.344533556920393
Energy: 1.3102303656267693
Energy: 1.4754977317404376
Energy: 1.3077664659756463
Energy: 1.3647277715632078
Energy: 1.4691184713257497
Energy: 1.3083089420337854
Energy: 1.308010212328593
Energy: 1.4723278576655092
Energy: 1.3076272227742998
Energy: 1.372575569524691
Energy: 1.3315971433069835
Energy: 1.3054689828685369
Energy: 1.3088532557709547
Energy: 1.3388286207600428
Energy: 1.2620192609275493
Energy: 1.2936940472286316
Energy: 1.4058650278678781
Energy: 1.3078100514900568
Energy: 1.253065002294342
Energy: 1.356639304917556
Energy: 1.255037561171042
Energy: 1.3267224962212139
Energy: 1.3551092129247349
Energy: 1.3260944535875479
Energy: 1.2576652182091945
Energy: 1.3396972739975967
Energy: 1.2389978048611383
Energy: 1.318093294494703
Energy: 1.3413176854660571
Energy: 1.3183597706815176
Energy: 1.2407863116186297
Energy: 1.0986463001613118
Energy: 1.0697820573947494
Energy: 1.319994186118312
Energy: 1.3410567848966564
Energy: 1.3183018648358305
Energy: 1.0698723143743731
Energy: 1.1431795849281419
Energy: 1.1103626801637883
Energy: 1.31180089427221
Energy: 1.3670328282445907
Energy: 1.3153994577139052
Energy: 1.1107796877910066
Energy: 1.1331692209756528
Energy: 1.1072694514593713
Energy: 1.3470013848135276
Energy: 1.350957800780503
Energy: 1.1371105960713688
Energy: 1.1074366009046863
Energy: 1.1028450811468726
Energy: 1.1104254155053783
Energy: 1.3447292292964566
Energy: 1.4049174671588316
Energy: 1.1299321092651176
Energy: 1.0884723425947842
Energy: 1.2585935210772654
Energy: 1.1368898995263115
Energy: 1.345410325454429
Energy: 1.4068594608860987
Energy: 1.136996476500644
Energy: 1.1370353790462235
Energy: 1.2730388082278672
Energy: 1.136526998797386
Energy: 1.3490660715700005
Energy: 1.4428688513889256
Energy: 1.3324382524466862
Energy: 1.1370338211236903
Energy: 1.2207453971359281
Energy: 1.0999096840612037
Energy: 1.3500953072696193
Energy: 1.3424145326555201
Energy: 1.3496405160439027
Energy: 1.1066467531073991
Energy: 1.469953080417465
Energy: 1.3501028256830134
Energy: 1.3498237856597461
Energy: 1.3053841215482063
Energy: 1.350332066801304
Energy: 1.352105117542512
Energy: 1.5805817701037006
Energy: 1.3499555391178217
Energy: 1.3498448602012667
Energy: 1.3647850310672043
Energy: 1.350197775606771
Energy: 1.3502074560085064
Energy: 1.7120277849482186
Energy: 1.3498495587687702
Energy: 1.382807660049083
Energy: 1.3827168125161828
Energy: 1.3750935411905352
Energy: 1.3585591910157815
Energy: 1.7075563865440762
Energy: 1.4092773428399084
Energy: 1.3837152438785654
Energy: 1.3221844304659436
Energy: 1.3831970301862628
Energy: 1.389689848604083
Energy: 1.564235502510887
Energy: 1.383265219970484
Energy: 1.3834312976149485
Energy: 1.4815064950938053
Energy: 1.3830366861269259
Energy: 1.3789305848330284
Energy: 1.7076002901199703
Energy: 1.3832927047486734
Energy: 1.3665924478934377
Energy: 1.437136389728593
Energy: 1.3425660917612567
Energy: 1.3829187159454126
Energy: 1.9792018260471778
Energy: 1.3532634615675416
Energy: 1.3605714362550685
Energy: 1.3297301223432039
Energy: 1.3582395101126237
Energy: 1.3926488773922296
Energy: 1.9692997487754476
Energy: 1.3572536938353206
Energy: 1.3575528385607347
Energy: 1.451064172375666
Energy: 1.3587169427954728
Energy: 1.3656959666549864
Energy: 1.5659258266321774
Energy: 1.3583305033925446
Energy: 1.1709136499900887
Energy: 1.215361756175797
Energy: 1.3302696130104463
Energy: 1.3655222555356998
Energy: 1.979656669620927
Energy: 1.3614013239993563
Energy: 1.1887524333163986
Energy: 1.2510830322597508
Energy: 1.1797031210402265
Energy: 1.369746967990177
Energy: 2.319964345800127
Energy: 1.2836983791029903
Energy: 1.1890314106571294
Energy: 1.1892989514747856
Energy: 1.1943294253185464
Energy: 1.3433202471242132
Energy: 1.9429999454049447
Energy: 1.170208719069027
Energy: 1.1816089303350876
Energy: 1.02105515197279
Energy: 1.183967836016113
Energy: 1.3726562942474052

minimum gb energy = 1.0071990659763554 eV
minimum distance =  2.26313480062311 Angstroms
sigma value = 43


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

Energy: 2.6958018058439195
Energy: 1.272290986727733
Energy: 1.2741744627522864
Energy: 1.0622145928809128
Energy: 1.2704817024700215
Energy: 1.5700686246699045
Energy: 1.6443867816405147
Energy: 1.2981793650001698
Energy: 1.0828539362528848
Energy: 1.0827004471388264
Energy: 1.0876566131330374
Energy: 1.4627340191790705
Energy: 1.682150319380776
Energy: 1.4402341514986148
Energy: 1.1147733606085772
Energy: 1.114755393866285
Energy: 1.0975191058336624
Energy: 1.4793899827351193
Energy: 1.6412529754674288
Energy: 1.2738752498560768
Energy: 1.088423853047745
Energy: 1.0845341210338344
Energy: 1.298801667111971
Energy: 1.4891886647438142
Energy: 1.6427385693235932
Energy: 1.2982783281799966
Energy: 1.298639270218901
Energy: 1.10803071482536
Energy: 1.298311154350106
Energy: 1.4890074253383743
Energy: 1.6432054725808902
Energy: 1.4627518469908676
Energy: 1.2982622108233366
Energy: 1.298588487081819
Energy: 1.2983102953430126
Energy: 1.5187362688119195
Energy: 1.67650366127211
Energy: 1.49018720085699
Energy: 1.2679426044654993
Energy: 1.341689666506524
Energy: 1.2801228580286614
Energy: 1.4904377590655105
Energy: 1.3713333313179747
Energy: 1.4969795689028558
Energy: 1.509326405575562
Energy: 1.3428979352739765
Energy: 1.4940563675767062
Energy: 1.4937599717334367
Energy: 1.6764363581421893
Energy: 1.486981294553648
Energy: 1.491035390582153
Energy: 1.45944280555399
Energy: 1.485547778362261
Energy: 1.5165444360136517
Energy: 1.6441482068438276
Energy: 1.4974649018897435
Energy: 1.4899307071534031
Energy: 1.6342735261409567
Energy: 1.489819287295828
Energy: 1.4975143121387249
Energy: 1.3505692635286781
Energy: 1.4903813113353341
Energy: 1.4976373872924
Energy: 1.6408573301217595
Energy: 1.4757239583085757
Energy: 1.49048019374829
Energy: 1.3516497352162131
Energy: 1.4904159505119272
Energy: 1.4902810531616852
Energy: 1.6255962804946675
Energy: 1.489789939863659
Energy: 1.489859863002269
Energy: 1.3484524018386836
Energy: 1.4633780190408612
Energy: 1.5089837686808338
Energy: 1.4583318682519173
Energy: 1.4905708102368662
Energy: 1.271153472529204
Energy: 1.1073314113078596
Energy: 1.2736090404758948
Energy: 1.4943488210807059
Energy: 1.6249354097056348
Energy: 1.4546269648301542
Energy: 1.297915627893001
Energy: 1.3735601811309264
Energy: 1.2984897315449715
Energy: 1.4830756925411965
Energy: 1.6285864724013048
Energy: 1.28729078465727
Energy: 1.2983194746904354
Energy: 1.056900687086295
Energy: 1.2710780109102464
Energy: 1.4593340761797586
Energy: 1.4576743801074652
Energy: 1.2720236486699052
Energy: 1.2770766979591563
Energy: 1.0823273089645153
Energy: 1.0880416781949462
Energy: 1.4598723081315912
Energy: 1.4902780267861218
Energy: 1.2975749797137426
Energy: 1.0825130646839738
Energy: 1.113844774891539
Energy: 1.1144435489946896
Energy: 1.450124290885142
Energy: 1.5506694611978293
Energy: 1.2871504641948308
Energy: 1.114229612766295
Energy: 1.08331645154067
Energy: 1.083907206119384
Energy: 1.2988197957240046
Energy: 1.6228644348636994
Energy: 1.2987735031177297
Energy: 1.0835043186262558
Energy: 1.372470991620368
Energy: 1.298892334908542
Energy: 1.2737302187316177
Energy: 1.571015386667805
Energy: 1.2741856882471747
Energy: 1.2996393123138736
Energy: 1.4109117735021572
Energy: 1.2987333580396243
Energy: 1.5094494068669397
Energy: 1.4979061644631433
Energy: 1.315483067816413
Energy: 1.2983305918915413
Energy: 1.3475575462099532
Energy: 1.2681467650065867
Energy: 1.494803164864123
Energy: 1.54922046791674
Energy: 1.49512550023255
Energy: 1.268216904490872
Energy: 1.349079848293407
Energy: 1.4939766406091541
Energy: 1.4995148399926115
Energy: 1.507863809501155
Energy: 1.4996834269351136
Energy: 1.2715235055841128
Energy: 1.0521057315356293
Energy: 1.4906745479542978
Energy: 1.4851453200426712
Energy: 1.6412123990190546
Energy: 1.4847874150439195
Energy: 1.4905689031011407
Energy: 1.3513789175407458
Energy: 1.4899213050080065
Energy: 1.4975614599259641
Energy: 1.6415867974547949
Energy: 1.4674447146920233
Energy: 1.489670705358214
Energy: 1.6430353122140404
Energy: 1.4942409145586988
Energy: 1.4901673739051133
Energy: 1.463035549700698
Energy: 1.492385953798454
Energy: 1.4981210859562588
Energy: 1.6406438745737408
Energy: 1.4901602974758563
Energy: 1.4900954954520191
Energy: 1.635848506771444
Energy: 1.4903592422431033
Energy: 1.4909956835409046
Energy: 1.641411878298315
Energy: 1.4912663714621301
Energy: 1.282680055026621
Energy: 1.3425372951116044
Energy: 1.4642767245162172
Energy: 1.5097492280424043
Energy: 1.6789948358522326
Energy: 1.4882528333812763
Energy: 1.2684967701856775
Energy: 1.3430506556905406
Energy: 1.2806331311806851
Energy: 1.4941701864505068
Energy: 1.6434637649362882
Energy: 1.4739699655912588
Energy: 1.2878995009863157
Energy: 1.298470214519716
Energy: 1.2889227279254114
Energy: 1.5195608732592403
Energy: 1.6423667725038018
Energy: 1.2687361759474742
Energy: 1.277978122118551
Energy: 1.097333163955716
Energy: 1.2779165478939478
Energy: 1.4595452691712936

minimum gb energy = 1.0521057315356293 eV
minimum distance =  2.2632564719399 Angstroms
sigma value = 57


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

Energy: 2.2848341853802263
Energy: 1.4240950997966135
Energy: 1.4240748985578375
Energy: 1.16526230223092
Energy: 1.4244064947053192
Energy: 1.656941544621104
Energy: 1.9692641585559405
Energy: 1.4544175728926865
Energy: 1.1915786987470887
Energy: 1.193212279945271
Energy: 1.1917748992455712
Energy: 1.6536421439245843
Energy: 1.9688258315984197
Energy: 1.4476630764873826
Energy: 1.2046285084390003
Energy: 1.2279419296866412
Energy: 1.2045630854895146
Energy: 1.6457560581587076
Energy: 1.591473863476759
Energy: 1.4247575420974457
Energy: 1.1637391397274859
Energy: 1.1639128972156318
Energy: 1.4259916086606852
Energy: 1.6610289055669532
Energy: 1.5915590413252954
Energy: 1.426241376533334
Energy: 1.4564751582034496
Energy: 1.1682545857765991
Energy: 1.4262730814901956
Energy: 1.6594176117332682
Energy: 1.967489731890634
Energy: 1.6546218750354234
Energy: 1.4548301860690942
Energy: 1.4550879882658012
Energy: 1.4484953023481275
Energy: 1.6720760604997889
Energy: 1.5659510674561694
Energy: 1.661636288792906
Energy: 1.4235421383238052
Energy: 1.5558137628692548
Energy: 1.4226474304865575
Energy: 1.6614848625945131
Energy: 1.2287932075445362
Energy: 1.6580065342558061
Energy: 1.678444081706411
Energy: 1.1661351947026566
Energy: 1.6572686645120143
Energy: 1.6625423296096835
Energy: 1.5666606633268443
Energy: 1.6588893354166683
Energy: 1.6510270002857912
Energy: 1.6518819391359219
Energy: 1.6580843798955434
Energy: 1.6786988625412076
Energy: 1.5612033817462712
Energy: 1.422579911981383
Energy: 1.6602922656987806
Energy: 1.1559125702648543
Energy: 1.6638752447430758
Energy: 1.4228808260064636
Energy: 1.2335163132852314
Energy: 1.4544644426707716
Energy: 1.6730720118827855
Energy: 1.81709735350785
Energy: 1.6573134768558522
Energy: 1.4547510691123244
Energy: 1.2174950139292182
Energy: 1.4546171384998103
Energy: 1.4262583661256962
Energy: 1.6941318699249968
Energy: 1.4266983033172087
Energy: 1.4544732597703613
Energy: 1.1625959493767708
Energy: 1.1632841352055125
Energy: 1.6519972758872086
Energy: 1.6585239598305113
Energy: 1.423670319666057
Energy: 1.1759133145131144
Energy: 1.1932105295155375
Energy: 1.2052084336580486
Energy: 1.6567593722848406
Energy: 1.6712775468350276
Energy: 1.4698001574831596
Energy: 1.2047662916403552
Energy: 1.1929698855999749
Energy: 1.1921683936105005
Energy: 1.643557647566201
Energy: 1.423068059409166
Energy: 1.4547169475626491
Energy: 1.1921042830420234
Energy: 1.1651891908984804
Energy: 1.4235230986654601
Energy: 1.662025708614394
Energy: 1.6602971038310341
Energy: 1.4240378124913466
Energy: 1.1638436170161555
Energy: 1.232469872916767
Energy: 1.454402093271951
Energy: 1.4470210111286606
Energy: 1.4250933518364457
Energy: 1.4555988136510802
Energy: 1.4553183317638583
Energy: 1.2332861802032793
Energy: 1.4541270308536376
Energy: 1.6633819556275515
Energy: 1.8173730498576257
Energy: 1.6536902413753563
Energy: 1.4547431405975029
Energy: 1.5632716372833781
Energy: 1.4230290268198413
Energy: 1.660261966332558
Energy: 1.6606309356644546
Energy: 1.6630688803600933
Energy: 1.4242687537858252
Energy: 1.5662212444977364
Energy: 1.6620295594704608
Energy: 1.6604713822275772
Energy: 1.4557682879786804
Energy: 1.6609909374057648
Energy: 1.6602184627256118
Energy: 1.2153433095669708
Energy: 1.6581114832626063
Energy: 1.441582091831368
Energy: 1.5560061755349182
Energy: 1.6654350219008085
Energy: 1.6520115981058676
Energy: 1.9691158213737727
Energy: 1.6622212775911236
Energy: 1.4240310267293035
Energy: 1.5560277810054088
Energy: 1.4229063059196543
Energy: 1.656817713193289
Energy: 1.9695141632258928
Energy: 1.6405302272831424
Energy: 1.4506330634991256
Energy: 1.4558547328630902
Energy: 1.450350858037821
Energy: 1.6782660757908174
Energy: 1.968001869660943
Energy: 1.4238623480827521
Energy: 1.4346034013299922
Energy: 1.1667940334780629
Energy: 1.423375910350634
Energy: 1.651908375779388

minimum gb energy = 1.1559125702648543 eV
minimum distance =  2.26685179580098 Angstroms
sigma value = 17


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

Energy: 2.8696256092210057
Energy: 1.665497154245489
Energy: 1.6719483375714015
Energy: 1.3091039075659712
Energy: 1.6712609717270162
Energy: 1.9430008478446614
Energy: 1.3206776796170043
Energy: 1.6224471280129087
Energy: 1.307841342791392
Energy: 1.3074872512180868
Energy: 1.3077153540136228
Energy: 1.8779109916948622
Energy: 1.3188374160372383
Energy: 1.6716808679799973
Energy: 1.3080418447884234
Energy: 1.3108595286684597
Energy: 1.355876312989856
Energy: 1.9442087263788177
Energy: 1.3448365705835805
Energy: 1.6221771631033446
Energy: 1.307593906464642
Energy: 1.308870126039603
Energy: 1.3075406718712703
Energy: 1.6223388468343503
Energy: 1.3022497123602268
Energy: 1.6227768044940554
Energy: 1.6213113007310496
Energy: 1.321288795861488
Energy: 1.623351812532051
Energy: 1.622850371945278
Energy: 1.3184458627649203
Energy: 1.6914778489420026
Energy: 1.6234685399066162
Energy: 1.3096486866318637
Energy: 1.716476058089817
Energy: 1.6216678466967624
Energy: 1.3208797194153143
Energy: 1.6233727870265129
Energy: 1.6222485684213808
Energy: 1.3193899920844718
Energy: 1.6218618854099462
Energy: 1.6213921849657753
Energy: 1.320840165072217
Energy: 1.6235033744201068
Energy: 1.98445072327907
Energy: 1.319360585625832
Energy: 1.7156252799410479
Energy: 1.6235112100832183
Energy: 1.319799910802015
Energy: 1.6716699981708592
Energy: 1.8749261592314612
Energy: 1.8745529364350118
Energy: 1.6223082030617395
Energy: 1.319739843877969
Energy: 1.3068630601296436
Energy: 1.3080303742126618
Energy: 1.6230137250727523
Energy: 1.311209986550163
Energy: 1.6224638350313063
Energy: 1.3078629355599842
Energy: 1.3373173758100525
Energy: 1.338155492261659
Energy: 1.9456299580971526
Energy: 1.3191733779248889
Energy: 1.3358340155749595
Energy: 1.3397901943714243
Energy: 1.306090342426561
Energy: 1.308065492736996
Energy: 1.6224236779710288
Energy: 1.3018879550958933
Energy: 1.6225868349648902
Energy: 1.3076548102580379
Energy: 1.3197210912615835
Energy: 1.6712579581698253
Energy: 1.6234379502926735
Energy: 1.6505462597401273
Energy: 1.6222430464839042
Energy: 1.6712613070416757
Energy: 1.3063150390619798
Energy: 1.716148516136875
Energy: 1.943967726097763
Energy: 1.3194424366619328
Energy: 1.715856853479704
Energy: 1.3010929944934209
Energy: 1.3204634089076168
Energy: 1.622866779980734
Energy: 1.6217410849486356
Energy: 1.3207055858670234
Energy: 1.6218837056610227
Energy: 1.620694208703056
Energy: 1.3193459725800598
Energy: 1.94394966104515
Energy: 1.688521423876974
Energy: 1.623790407525068
Energy: 1.7159776973378793
Energy: 1.6707302506179358
Energy: 1.3013968920304217
Energy: 1.6221175830678443
Energy: 1.6217058667306286
Energy: 1.3205523985591419
Energy: 1.6223352477835151
Energy: 1.8743384965513035

minimum gb energy = 1.3010929944934209 eV
minimum distance =  2.28015157389939 Angstroms
sigma value = 17


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

Energy: 1.9444307780548777
Energy: 1.4599162419375264
Energy: 1.460539145508677
Energy: 1.458238843257028
Energy: 1.4605957770147617
Energy: 1.9200334619099066
Energy: 1.4082272454050393
Energy: 1.5887222990559793
Energy: 1.4019633160651213
Energy: 1.3980612538721684
Energy: 1.3994836979031047
Energy: 1.950985126449097
Energy: 1.4687491225403544
Energy: 1.9213334377106466
Energy: 1.4101782840093051
Energy: 1.416420104315355
Energy: 1.4089207689086614
Energy: 1.8231377702239866
Energy: 1.6454801060623083
Energy: 1.9332143097868457
Energy: 1.4097498163856699
Energy: 1.408104647082052
Energy: 1.5413966633848606
Energy: 1.9321543016082903
Energy: 1.627195175908774
Energy: 1.9222565337523185
Energy: 1.921812320547564
Energy: 1.5734641739934379
Energy: 1.9231926688265921
Energy: 1.9216597865298117
Energy: 1.4089364907761275
Energy: 1.6823392900278038
Energy: 1.9273620626709056
Energy: 1.6608940464696205
Energy: 1.9315734648537717
Energy: 1.4093836887533842
Energy: 1.4101845073350625
Energy: 1.410494914554629
Energy: 1.921742657834188
Energy: 1.6445529186539387
Energy: 1.82541765243402
Energy: 1.4101802662268146
Energy: 1.3991252247834909
Energy: 1.4019319189381891
Energy: 1.6720866445796154
Energy: 1.4102104031344045
Energy: 1.4005865625139216
Energy: 1.399599574474146
Energy: 1.4023684520773263
Energy: 1.4051400172005244
Energy: 1.8553424277731987
Energy: 1.820896391564429
Energy: 1.599985238763036
Energy: 1.4051227461264268
Energy: 1.6681358104126174
Energy: 1.5884198896926893
Energy: 1.5892571113920435
Energy: 1.6700828232987952
Energy: 1.588361279828531
Energy: 1.5985060801484288
Energy: 1.6751363810588384
Energy: 1.5876496073170352
Energy: 1.8227556364123643
Energy: 1.6440352323148277
Energy: 1.5890868094509996
Energy: 1.5905543918645213
Energy: 1.6629063108686113
Energy: 1.5896878805544785
Energy: 1.8235283064825263
Energy: 1.6597506795663353
Energy: 1.8229144482016504
Energy: 1.5904420429592812
Energy: 1.4591075303071463
Energy: 1.823119962954081
Energy: 1.826073357476308
Energy: 1.6947197496978423
Energy: 1.826079527344485
Energy: 1.8706624475793543
Energy: 1.3701423512536477
Energy: 1.8299747445950565
Energy: 1.8835115271437821
Energy: 1.532841257840354
Energy: 1.6527995618009568
Energy: 1.9281070745216196
Energy: 1.8895787512499587
Energy: 1.823803256704804
Energy: 1.371743050869167
Energy: 1.3704533009140734
Energy: 1.3719433534267669
Energy: 1.8357619270182721
Energy: 1.5022367477775131
Energy: 1.7342361806656041
Energy: 1.3714228966408646
Energy: 1.3747191042326994
Energy: 1.3709787922154366
Energy: 1.871015825677952
Energy: 1.6447404843853437
Energy: 1.8227009113761536
Energy: 1.3704112575270995
Energy: 1.3732920397810262
Energy: 1.3708911288283456
Energy: 1.9207221000765844
Energy: 1.6378204256295754
Energy: 1.822701870584702
Energy: 1.827191665070008
Energy: 1.64478406562189
Energy: 1.826352880943421
Energy: 1.9207456748380514
Energy: 1.5038470990409911
Energy: 1.8417469200015069
Energy: 1.8456665459371022
Energy: 1.7404617872921742
Energy: 1.8434622398655005
Energy: 1.5880734280904252
Energy: 1.6751254524456873
Energy: 1.5892161806082563
Energy: 1.827485698282796
Energy: 1.6590358456916663
Energy: 1.8268067889518733
Energy: 1.5897026511314623
Energy: 1.6771364891657639
Energy: 1.6023129710343753
Energy: 1.8304389165316208
Energy: 1.6506265322512257
Energy: 1.6071902773242048
Energy: 1.6268677117874848
Energy: 1.5936833811498867
Energy: 1.5935288438941206
Energy: 1.7443605688986987
Energy: 1.722988587839855
Energy: 1.5883996451908307
Energy: 1.5945546123660268
Energy: 1.3978381362889505
Energy: 1.4002519447224258
Energy: 1.5895617074302741
Energy: 1.9159287372056373
Energy: 1.5889958393742938
Energy: 1.3993577303889952
Energy: 1.4103934211759972
Energy: 1.4293313250485835
Energy: 1.951160394826023
Energy: 1.4077070496194837
Energy: 1.4120218701012723
Energy: 1.439327035054575
Energy: 1.4091040347769561
Energy: 1.4100379490624582
Energy: 1.9218002982526627
Energy: 1.6274994943821937
Energy: 1.9226789096442927
Energy: 1.4091412239614758
Energy: 1.411335007203716
Energy: 1.9397492554575775
Energy: 1.933394194200892
Energy: 1.6974997113653159
Energy: 1.9214065196773642
Energy: 1.6328866137441074
Energy: 1.3596544396732084
Energy: 1.9423832484283057
Energy: 1.8543351925875688
Energy: 1.4145578187579564
Energy: 1.9321010110734422
Energy: 1.9191631571102745
Energy: 1.3615399603571807
Energy: 1.9223931117344597
Energy: 1.4104193589954823
Energy: 1.4094013515009873
Energy: 1.4095318039659173
Energy: 1.9216374585229525
Energy: 1.407900405406735
Energy: 1.5390487787500937
Energy: 1.4274361991988311
Energy: 1.4647229774040806
Energy: 1.4017671611314166
Energy: 1.958904845328441
Energy: 1.6442432531715319
Energy: 1.5879996394550933
Energy: 1.4002965508410923
Energy: 1.3990416996212556
Energy: 1.3990091328364775
Energy: 1.8220761625937698
Energy: 1.6450297334972397
Energy: 1.6001400373109211
Energy: 1.5898685057405813
Energy: 1.5946546198528746
Energy: 1.5883121743380801
Energy: 1.8455665420902823
Energy: 1.4671269204918935
Energy: 1.6063755983431958
Energy: 1.6135008741302348
Energy: 1.6179261746983113
Energy: 1.611720195590157
Energy: 1.8239389243976887
Energy: 1.6442043192732296
Energy: 1.8250615251780822
Energy: 1.6016828143298893
Energy: 1.6654914551066375
Energy: 1.5882733084838276
Energy: 1.8235136432038657
Energy: 1.6410495555964468
Energy: 1.8427313562418135
Energy: 1.8084700110168996
Energy: 1.662055152417257
Energy: 1.8415842121080666
Energy: 1.8360163333661845
Energy: 1.6309736426686954
Energy: 1.8264903080715804
Energy: 1.9189042812102832
Energy: 1.730378004328171
Energy: 1.8237631333641018
Energy: 1.8236196995118967
Energy: 1.3712646327185085
Energy: 1.3704796716432803
Energy: 1.8233911287573803
Energy: 1.357588585596214
Energy: 1.8238862809397138
Energy: 1.3694655306623784
Energy: 1.3781748289646514
Energy: 1.3737004743990664
Energy: 1.9868811516570934
Energy: 1.5032503000318704
Energy: 1.4030003695590898
Energy: 1.370948961157873
Energy: 1.3688608190865743
Energy: 1.3726479282379334
Energy: 1.82202703703848
Energy: 1.665983051917611
Energy: 1.8233605168396063
Energy: 1.3710259915819247
Energy: 1.4693107952795703
Energy: 1.8250186934260617
Energy: 1.941708617936694
Energy: 1.9336380748591557
Energy: 1.8184562240940028
Energy: 1.5338101888247013
Energy: 1.9090765138227725
Energy: 1.8263838868100184
Energy: 1.842494564866416
Energy: 1.508575071746785
Energy: 1.8411554163606756
Energy: 1.8237356550973822
Energy: 1.6404389129554837
Energy: 1.8221355190398414
Energy: 1.5905115801513687
Energy: 1.6749109938654472
Energy: 1.5895007757750652
Energy: 1.8270697613718576
Energy: 1.4717468657120563
Energy: 1.7237091079390001
Energy: 1.588311866176198
Energy: 1.5890113539098234
Energy: 1.5874287429322986
Energy: 1.8230509857438784
Energy: 1.9018485573270372
Energy: 1.5883337077915933
Energy: 1.6014149177010482
Energy: 1.6763721103468563
Energy: 1.5876466719957825
Energy: 1.7213133901914153

minimum gb energy = 1.357588585596214 eV
minimum distance =  2.25448054575821 Angstroms
sigma value = 57


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

Energy: 2.3040775068228023
Energy: 1.8475230092231252
Energy: 1.50452945466981
Energy: 1.5010543187954961
Energy: 1.4993446312721195
Energy: 1.3785369547939714
Energy: 1.4214307120534457
Energy: 1.71378368321346
Energy: 1.429924323648085
Energy: 1.430594214370462
Energy: 1.4493213867759487
Energy: 1.9795636497090676
Energy: 1.434829989157803
Energy: 1.9035908414820082
Energy: 1.4294812670574448
Energy: 1.4335745443108907
Energy: 1.429368707494128
Energy: 1.9532053645812788
Energy: 1.8868782674176605
Energy: 1.902831816241256
Energy: 1.424597090554254
Energy: 1.4301295599405681
Energy: 1.6590093156806636
Energy: 1.9259886271611242
Energy: 1.435722511181582
Energy: 1.9052890979569777
Energy: 1.9022029937566503
Energy: 2.2554366341784
Energy: 1.9013716008236343
Energy: 1.9016347168948802
Energy: 1.4238434605296846
Energy: 1.6462393781780944
Energy: 1.8659897250986506
Energy: 1.8970021426880566
Energy: 1.8944213724423768
Energy: 1.4238308938439117
Energy: 1.4283012201252314
Energy: 1.4489701764657414
Energy: 1.9026375534205484
Energy: 1.866186857576321
Energy: 1.6635043447670497
Energy: 1.4579047501997113
Energy: 1.4348500945355014
Energy: 1.4492825637718505
Energy: 1.793847544713535
Energy: 1.8741045674215875
Energy: 1.4518351282376318
Energy: 1.4297209543088132
Energy: 1.4278965801862844
Energy: 1.4357449139025211
Energy: 1.9271554774763067
Energy: 1.92393315912593
Energy: 1.7340565842243836
Energy: 1.4357859370990929
Energy: 1.4357208679717846
Energy: 1.7155654842926924
Energy: 1.7131027201787632
Energy: 1.8773654880741424
Energy: 1.7121933509336513
Energy: 1.7123562062928903
Energy: 1.4908446443668053
Energy: 1.7053582859196539
Energy: 1.699721985404728
Energy: 1.8725106804371003
Energy: 1.7030374346378514
Energy: 1.7183592075337923
Energy: 1.4291847032320444
Energy: 1.6993353276485492
Energy: 1.7133186239732454
Energy: 1.8807106868992791
Energy: 1.7194727765382016
Energy: 1.7033855564806315
Energy: 1.4393730104914177
Energy: 1.7150062635073684
Energy: 1.7152476303247568
Energy: 1.7049450256581413
Energy: 1.7212949316519601
Energy: 1.9495344093642724
Energy: 2.279866203073048
Energy: 1.7005880981375456
Energy: 1.4476733366905785
Energy: 1.4298927434677833
Energy: 1.4304580333319663
Energy: 1.946321411329846
Energy: 1.4767970605527148
Energy: 1.7138917055891836
Energy: 1.42258229841401
Energy: 1.4294480811681456
Energy: 1.4229197364572121
Energy: 1.7007344706548766
Energy: 1.4339597190227251
Energy: 1.667339364837636
Energy: 1.4304119214713051
Energy: 1.4296900296425228
Energy: 1.4491373647401231
Energy: 1.953150126425023
Energy: 1.883670574260536
Energy: 1.9069644587239039
Energy: 1.4252198169551162
Energy: 1.4265173700290452
Energy: 1.4233560002466128
Energy: 1.901483560712884
Energy: 1.883111825322985
Energy: 1.905992945822244
Energy: 1.901799234005028
Energy: 1.8659952905272719
Energy: 1.9029900590521194
Energy: 1.9004338764015174
Energy: 1.4236661609143857
Energy: 1.6623696965815904
Energy: 1.86529336837182
Energy: 1.8639238802466318
Energy: 1.6487825082009424
Energy: 1.4232356605093504
Energy: 1.429141224954107
Energy: 1.449229267365346
Energy: 1.9021253208231668
Energy: 1.8795205058670206
Energy: 1.6568485779134163
Energy: 1.4292641189300288
Energy: 1.4374909457265872
Energy: 1.4506361268571781
Energy: 1.929919274298299
Energy: 1.8737104949240269
Energy: 1.463473577578293
Energy: 1.4299622964381158
Energy: 1.424715695822943
Energy: 1.4227443472548993
Energy: 1.9010108297103587
Energy: 1.7035288941852325
Energy: 1.712540178000316
Energy: 1.42387863062834
Energy: 1.43742310078636
Energy: 1.716734115303837
Energy: 1.7125650687069396
Energy: 1.8792550020745549
Energy: 1.7120289904010542
Energy: 1.7000050206632065
Energy: 1.4780644070256228
Energy: 1.7063213319283843
Energy: 1.7003082773121188
Energy: 1.8741778767599069
Energy: 1.7012222837852833
Energy: 1.704180366840472
Energy: 1.4383159311710925
Energy: 1.7210698292235047
Energy: 1.7131882614788758
Energy: 1.879133626641746
Energy: 1.7194465922584703
Energy: 1.7041203287039939
Energy: 1.439090367188016
Energy: 1.703583716170404
Energy: 1.7174107720956757
Energy: 1.7053530779492996
Energy: 1.703522264989799
Energy: 1.7008986264261747
Energy: 2.2776442644622628
Energy: 1.7001391062300688
Energy: 1.7171998856567003
Energy: 1.4304557754652185
Energy: 1.710311760389503
Energy: 1.9460185379478447

minimum gb energy = 1.3785369547939714 eV
minimum distance =  2.25704259780532 Angstroms
sigma value = 43


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

Energy: 3.065347821116327
Energy: 1.5746765088352257
Energy: 1.5580584562897608
Energy: 1.5581732768598582
Energy: 1.5597316046611895
Energy: 1.9051129170437962
Energy: 1.6058252353749107
Energy: 1.7082986423286617
Energy: 1.4980429625099727
Energy: 1.4968952227764565
Energy: 1.4986465553312183
Energy: 1.6953912626549537
Energy: 1.6295699663069307
Energy: 1.8651987662640959
Energy: 1.497938392119236
Energy: 1.4855505482219324
Energy: 1.4976078434664377
Energy: 1.7067562553682396
Energy: 1.6819900445528793
Energy: 1.8674480219145926
Energy: 1.5010210065999536
Energy: 1.4904718537004857
Energy: 1.8001355918344946
Energy: 1.8801559383128719
Energy: 1.6310133380779817
Energy: 1.866412182885845
Energy: 1.8646331133578224
Energy: 1.5302048331653122
Energy: 1.8646995271144429
Energy: 1.864817201955802
Energy: 1.4463963166922265
Energy: 1.6100785587905286
Energy: 1.8978709232851443
Energy: 1.818358097132867
Energy: 1.874353625495733
Energy: 1.4453439056922164
Energy: 1.4507177308415342
Energy: 1.4541542556414249
Energy: 1.8654635490983513
Energy: 1.5606473697202285
Energy: 1.6054544404404967
Energy: 1.4529625963302502
Energy: 1.4520354215748603
Energy: 1.442245272878796
Energy: 1.87099600640564
Energy: 1.5622758216703843
Energy: 1.4430509973508745
Energy: 1.4419268980226376
Energy: 1.4469161169155866
Energy: 1.4463153006183056
Energy: 1.8913832125354997
Energy: 1.8809597230721604
Energy: 1.8741124121909147
Energy: 1.445603700581923
Energy: 1.9721869764698765
Energy: 1.8672222334301731
Energy: 1.8645533004882142
Energy: 1.5606278611811284
Energy: 1.8648172205174394
Energy: 1.8648303242827857
Energy: 2.1201110402090904
Energy: 1.8555720310595845
Energy: 1.501138693424183
Energy: 1.4905059205095132
Energy: 1.7997258010348631
Energy: 1.8151563344388555
Energy: 1.8298028784339504
Energy: 1.8648577411985838
Energy: 1.4975022968822045
Energy: 1.4882772549269896
Energy: 1.5095882387222106
Energy: 1.8703416413641836
Energy: 1.6057994242087406
Energy: 1.7077897897617553
Energy: 1.4991794487865884
Energy: 1.4986229437886147
Energy: 1.4987612736872697
Energy: 1.7067677171650888
Energy: 1.8231525588907256
Energy: 1.7202234136681305
Energy: 1.4858344730372839
Energy: 1.4871376831589267
Energy: 1.7217751265716346
Energy: 1.890744163651565
Energy: 1.5596916703690522
Energy: 1.706902578628628
Energy: 1.7086499784472593
Energy: 1.8264389379437327
Energy: 1.7063868035198129
Energy: 1.7083195382287724
Energy: 1.6305040854057236
Energy: 1.707078550655496
Energy: 1.7105383184980014
Energy: 1.7005104677809297
Energy: 1.6976831686572815
Energy: 1.706751592023461
Energy: 1.8245797519974765
Energy: 1.7077197029808642
Energy: 1.7064471364048142
Energy: 1.8283134482463461
Energy: 1.7270315699390733
Energy: 1.7071659186972543
Energy: 1.827195808590016
Energy: 1.707737981746525
Energy: 1.707921768162628
Energy: 1.6061184098665673
Energy: 1.707645967515438
Energy: 1.7066859025599728
Energy: 1.5575275843224667
Energy: 1.8203554888181128
Energy: 1.9608364325811072
Energy: 1.9062931739450928
Energy: 1.574478655895043
Energy: 1.5581809273087512
Energy: 1.4954772170764519
Energy: 1.4981822523960455
Energy: 1.7082300164034319
Energy: 1.6075145794478805
Energy: 1.7072151776755542
Energy: 1.4981165278814135
Energy: 1.4895436391529693
Energy: 1.4981982371170672
Energy: 1.870003411805488
Energy: 1.8243728743127365
Energy: 1.5088250815085922
Energy: 1.4974806155604365
Energy: 1.485487365944786
Energy: 1.5014795746511969
Energy: 1.8656595191892975
Energy: 1.7063664188795866
Energy: 1.8680379669879073
Energy: 1.4905431474381736
Energy: 1.5289916009000584
Energy: 1.8646025896617813
Energy: 1.866105492713303
Energy: 1.8261180048639487
Energy: 1.8648397265909935
Energy: 1.8648788131643432
Energy: 2.115888813263327
Energy: 1.8752081534006115
Energy: 1.4460002651609816
Energy: 1.4471127688544032
Energy: 1.8740528234569707
Energy: 1.913256579425039
Energy: 1.5612046240263107
Energy: 1.8648261283448582
Energy: 1.4546694803793905
Energy: 1.4518169038733757
Energy: 1.4427008631550908
Energy: 1.9609187349655635
Energy: 1.5620986449269212
Energy: 1.8652872471984954
Energy: 1.4419753408412077
Energy: 1.4535263895570087
Energy: 1.4422933765981392
Energy: 1.7813936865026594
Energy: 1.8217928020399057
Energy: 1.8740327396722265
Energy: 1.4452049008357033
Energy: 1.4465823356884084
Energy: 1.8074357731783435
Energy: 1.8689284769220087
Energy: 1.7073547752182792
Energy: 1.8645301889179715
Energy: 1.8655715555631045
Energy: 1.826189338220581
Energy: 1.8656710536243881
Energy: 1.8647111724864864
Energy: 1.4903519635878146
Energy: 1.6378163323551158
Energy: 1.869251287003385
Energy: 1.8430164426616833
Energy: 1.8559300247513173
Energy: 1.5017791391004467
Energy: 1.4865497282912616
Energy: 1.4969473356040277
Energy: 1.8699271660045014
Energy: 1.8236190840905722
Energy: 1.6798484237858886
Energy: 1.4969307590665137
Energy: 1.497574723704909
Energy: 1.49903157887008
Energy: 1.7066029308653998
Energy: 1.606618945191332
Energy: 1.4983582941085636
Energy: 1.4995118987449387
Energy: 1.4865552166045966
Energy: 1.486948334023461
Energy: 1.890843747679722
Energy: 1.87075763947738
Energy: 1.720944347214397
Energy: 1.485792911671228
Energy: 1.6301706931396536
Energy: 1.7080974693604365
Energy: 1.707352211398323
Energy: 1.5594592153741447
Energy: 1.7066710763570605
Energy: 1.7067993235786452
Energy: 1.5278235786002152
Energy: 1.7062961717683314
Energy: 1.706415963698185
Energy: 1.8251805951828421
Energy: 1.6956608777664448
Energy: 1.7091493514294556
Energy: 1.6291114078420117
Energy: 1.7064017146613153
Energy: 1.7089541486762956
Energy: 1.701355413477387
Energy: 1.7061088450160855
Energy: 1.7064543845794247
Energy: 1.6056381698405746
Energy: 1.707694375158986
Energy: 1.7082661456443606
Energy: 1.8284745914003637
Energy: 1.7062677922277498
Energy: 1.6995606234197245

minimum gb energy = 1.4419268980226376 eV
minimum distance =  2.2275448355995 Angstroms
sigma value = 81


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

Energy: 1.4802510119229038
Energy: 1.5410672772558696
Energy: 1.539880205925376
Energy: 1.5398118586206306
Energy: 1.5410439803389502
Energy: 1.4854066085502258
Energy: 1.488457507827843
Energy: 1.5398336343137136
Energy: 1.4887012925984924
Energy: 1.4888876140903953
Energy: 1.488357137389066
Energy: 1.5405650482045279
Energy: 1.5399397456768296
Energy: 1.5400850293888904
Energy: 1.4915129077930163
Energy: 1.4880370669277772
Energy: 1.4885440935566945
Energy: 1.5400072811883758
Energy: 1.5396511765493401
Energy: 1.5399001019691874
Energy: 1.4889145210129078
Energy: 1.4875920353876457
Energy: 1.5399474015688785
Energy: 1.5398980782328926
Energy: 1.5388253531049656
Energy: 1.5397333611177708
Energy: 1.5402050230014666
Energy: 1.4807426839453433
Energy: 1.54131568629256
Energy: 1.5398848872791047
Energy: 1.4884030687650927
Energy: 1.4930709598222656
Energy: 1.481893632122798
Energy: 1.4911434216874273
Energy: 1.5402478065404137
Energy: 1.488193709185708
Energy: 1.487962176713984
Energy: 1.4888381299831586
Energy: 1.540098617489601
Energy: 1.4882882750915134
Energy: 1.5420381220057051
Energy: 1.491003337127442
Energy: 1.4886305728852294
Energy: 1.4888850256236181
Energy: 1.540082242308253
Energy: 1.5385516747303307
Energy: 1.5427636112347543
Energy: 1.490325705609163
Energy: 1.4876457448659806
Energy: 1.4884722936157546
Energy: 1.539949463664785
Energy: 1.5420320345595036
Energy: 1.5401431429896717
Energy: 1.492788995735843
Energy: 1.482615994826238
Energy: 1.5402921768666964
Energy: 1.5397994836212898
Energy: 1.5387816910240377
Energy: 1.5406547380854705
Energy: 1.540194507553641

minimum gb energy = 1.4802510119229038 eV
minimum distance =  2.31813594919072 Angstroms
sigma value = 3


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

Energy: 1.7797825061948143
Energy: 1.4656270462228083
Energy: 1.6519557519463555
Energy: 1.4621100975139474
Energy: 1.9871621124114678
Energy: 2.0944034299765866
Energy: 1.4610895060974658
Energy: 1.7136638026569853
Energy: 1.7120744723766679
Energy: 1.662352317449758
Energy: 1.712454668574045
Energy: 1.7125424261024909
Energy: 1.4609148396227831
Energy: 1.6326607498355805
Energy: 1.7074899372256036
Energy: 1.6731945979100147
Energy: 1.7136006534208148
Energy: 1.6840232360886513
Energy: 1.6612565933224988
Energy: 1.7148833955588185
Energy: 1.6951704019875546
Energy: 1.4608423195090445
Energy: 1.6535602351711807
Energy: 1.7177744041824343
Energy: 1.6765393178452181
Energy: 1.7122878962960033
Energy: 1.6435026672508313
Energy: 1.6328280530397994
Energy: 1.7126373058393038
Energy: 1.6843034092523768
Energy: 1.7532215353902125
Energy: 1.5295514329490214
Energy: 1.9496713940479042
Energy: 1.4631425108766805
Energy: 1.4663333507773542
Energy: 1.6206258981481703
Energy: 1.854117823809486
Energy: 1.7118068498180616
Energy: 1.7124730524469742
Energy: 1.4615065225348076
Energy: 1.7140290983023048
Energy: 1.693796667427681
Energy: 1.8527161165315131
Energy: 1.7140480701191718
Energy: 1.4658127183443843
Energy: 1.4605467840238087
Energy: 1.4659878330682374
Energy: 1.7119611165174475
Energy: 1.461508500743888
Energy: 1.4679431290982137
Energy: 1.4707168470308267
Energy: 1.4703716810770935
Energy: 1.4666248153255612
Energy: 1.465559337994812
Energy: 1.6550199009193847
Energy: 1.526286831621739
Energy: 1.463048431136949
Energy: 1.463002150709861
Energy: 1.4654705212462087
Energy: 1.6962210832699884
Energy: 1.8142526126342091
Energy: 1.6949219190709628
Energy: 1.4656220344523891
Energy: 1.6956839544826063
Energy: 2.12179337085792
Energy: 1.7080449760927985
Energy: 1.6195097652649768
Energy: 1.5278559910050966
Energy: 1.6974673567285083
Energy: 1.4635974129200546
Energy: 1.6965557313821698
Energy: 1.5173426814965216
Energy: 1.4597756235763863
Energy: 1.461378686212508
Energy: 1.699515521088244
Energy: 1.4637623296089026
Energy: 1.527425227864163
Energy: 1.4641915917389445
Energy: 1.4695825557048758
Energy: 1.4665089824585622
Energy: 1.6964452225188735
Energy: 1.6959721114361328
Energy: 1.4669338769337936
Energy: 1.464936861219894
Energy: 1.4617160408655148
Energy: 1.4672642446680986
Energy: 1.7120449541766911
Energy: 1.8143495091003141
Energy: 1.713363113733025
Energy: 1.4663034648402578
Energy: 1.4607408233150712
Energy: 1.7114999753268518
Energy: 1.709372586023157
Energy: 1.6599307003160602
Energy: 1.7121796797618052
Energy: 1.465286321118556
Energy: 1.7579564350425103
Energy: 1.6343613518889923
Energy: 2.018000703757616
Energy: 1.6984560879527033
Energy: 1.6995841183528624
Energy: 1.7694797392795054
Energy: 1.762077611172473
Energy: 1.6327865277074607
Energy: 1.6841327534455588
Energy: 1.6835317790144344
Energy: 1.7122135186604186
Energy: 1.4788816903548545
Energy: 1.4605255800269061
Energy: 1.6534618604339515
Energy: 1.7131031231202507
Energy: 1.706318334850618
Energy: 1.714519052032292
Energy: 1.4646130943577884
Energy: 1.660479539785133
Energy: 1.7117163455403872
Energy: 1.7120987750757184
Energy: 1.662813621752093
Energy: 1.5243861131291565
Energy: 1.7138603628705296
Energy: 1.661624574687591
Energy: 1.7121722380815636
Energy: 1.6411031234015332
Energy: 1.4608925380747229
Energy: 1.7126951628044496
Energy: 1.7115607720372008
Energy: 1.4602071013934657
Energy: 1.468113108008164
Energy: 1.6836621798379163
Energy: 1.4613313499988307
Energy: 1.6976554311727312
Energy: 1.46664783163572
Energy: 1.826259908190865
Energy: 1.6969199937895967
Energy: 1.6324590610979084
Energy: 1.633288616439417
Energy: 1.7117443473501006
Energy: 1.6831345390344485
Energy: 1.8845282059100856
Energy: 2.0237929863976936
Energy: 1.463767980891518
Energy: 1.4624729329335107
Energy: 1.7775304862716674
Energy: 1.9402715360615852
Energy: 1.6114845233363104
Energy: 1.7484335122036287
Energy: 1.470179768743531
Energy: 1.46851654459305
Energy: 1.4678957661472452
Energy: 1.6937979214504797
Energy: 1.6168177145025513
Energy: 1.467267184398822
Energy: 1.4660713078629746
Energy: 1.462871059785859
Energy: 1.4659879616172948
Energy: 1.820536265408525
Energy: 1.8129507368190974
Energy: 1.5273853857211486
Energy: 1.4644166539792327
Energy: 1.4616833697520157
Energy: 1.6300532702696877
Energy: 1.7081133862982403
Energy: 1.6516910423946543
Energy: 1.6965950855572305
Energy: 1.6972728350297963
Energy: 1.759384322067687
Energy: 1.695123226188568
Energy: 1.630525281896688
Energy: 1.4608195207434234
Energy: 1.461323759817877
Energy: 1.4775870997560094
Energy: 1.4781617981200619
Energy: 1.528234339458958
Energy: 1.4632681026601433
Energy: 1.4607620378029742
Energy: 1.466673134303217
Energy: 1.5271642153363385
Energy: 1.6173468552269408
Energy: 1.465632241763445
Energy: 1.4703276119902882
Energy: 1.4621392545156182
Energy: 1.4677862569594986
Energy: 1.6923621775330333
Energy: 1.46231035742387
Energy: 1.4673626072566457
Energy: 1.4696682123966498
Energy: 1.4603554867173374
Energy: 1.4624654997808753
Energy: 2.0248686978067574
Energy: 1.705455607672622
Energy: 2.0248985398190915
Energy: 1.4635395437386263
Energy: 1.4546249680404222
Energy: 1.8038169312082426
Energy: 1.6921733037729993
Energy: 1.8272919502876268
Energy: 1.7124933703071434
Energy: 1.6396694150099804

minimum gb energy = 1.4546249680404222 eV
minimum distance =  2.27446735701203 Angstroms
sigma value = 67


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

Energy: 1.969701406276031
Energy: 2.0128522667118434
Energy: 1.5846987071198433
Energy: 1.5783876808607997
Energy: 2.014737328485451
Energy: 2.2442200351488975
Energy: 1.5896700566708095
Energy: 1.7161138044563744
Energy: 1.720887833862399
Energy: 1.5814436816354722
Energy: 1.7160626517906303
Energy: 2.131291129095437
Energy: 1.5871456900767735
Energy: 1.4306560776206647
Energy: 1.7205881711787019
Energy: 1.6544911593611409
Energy: 1.7151211350554247
Energy: 1.5940597027793086
Energy: 1.6718779393186143
Energy: 1.7178412140719346
Energy: 1.592721128456016
Energy: 1.5827138555966644
Energy: 1.4257746013396209
Energy: 1.7147554981469828
Energy: 1.5813042447809609
Energy: 1.7158337498715728
Energy: 1.9540938516726265
Energy: 1.5780595161906108
Energy: 1.9483053416227611
Energy: 1.6863724494340058
Energy: 1.5881373072239815
Energy: 1.622776296714084
Energy: 2.143199952249113
Energy: 1.7167775765819677
Energy: 2.0364277608754695
Energy: 1.5914661302799273
Energy: 1.7724245762672628
Energy: 1.7201249135459324
Energy: 2.130890170708696
Energy: 1.5887910216252734
Energy: 1.9525804247218288
Energy: 1.6871148325147307
Energy: 1.8613028782585588
Energy: 1.9431878871536103
Energy: 1.399665457046719
Energy: 1.3935406262897012
Energy: 1.4013131979145574
Energy: 2.027456018802682
Energy: 1.799999528706002
Energy: 1.4031888161270558
Energy: 1.401232131939681
Energy: 1.4035135304009967
Energy: 1.409673130756033
Energy: 1.8852435316802894
Energy: 1.7716635360171524
Energy: 1.7447973015721274
Energy: 1.4047746310433342
Energy: 1.3903641244288825
Energy: 1.4012453744212716
Energy: 1.7196079274313572
Energy: 1.833511302604205
Energy: 1.7166246259899967
Energy: 1.6033393251188477
Energy: 1.589446190934202
Energy: 2.143071075974971
Energy: 1.7136309555180707
Energy: 1.8029577385958746
Energy: 2.1032518851151374
Energy: 1.4008368955081638
Energy: 1.7874707134889345
Energy: 1.6122020969075521
Energy: 1.8998670945195362
Energy: 1.589328635030363
Energy: 1.5889321609094371
Energy: 1.401393765536327
Energy: 1.7857138751969492
Energy: 1.7171417445844934
Energy: 1.591942996694913
Energy: 1.6442347397956836
Energy: 1.715241810741011
Energy: 1.4356601138078424
Energy: 1.5894482145727948
Energy: 1.7149545648172062
Energy: 1.7131534246386024
Energy: 1.5813562725254429
Energy: 1.7244246281870501
Energy: 1.7179539567162336
Energy: 1.5816056779873848
Energy: 1.7259664772867003
Energy: 1.7205163021078957
Energy: 1.5883800083660211
Energy: 1.7142927887828776
Energy: 1.7129952236089614
Energy: 1.6754657295550872
Energy: 1.7197948899347968
Energy: 1.58762249333019
Energy: 1.7741373474970568
Energy: 1.9499560588873495
Energy: 1.5887452481743676
Energy: 1.5903419150264484
Energy: 1.5914712161786138
Energy: 1.7119103946298355
Energy: 1.800196150611956
Energy: 1.6087106771952073
Energy: 2.0995288613977716
Energy: 1.7705402022793908
Energy: 1.9166857465532734
Energy: 1.6108254544173202
Energy: 1.3904117439273562
Energy: 1.4006321008108378
Energy: 2.0224117925360785
Energy: 2.0232979046852426
Energy: 2.14218060856666
Energy: 1.401763099197999
Energy: 1.3896314115480601
Energy: 1.4055913406435936
Energy: 1.9458795607094195
Energy: 1.7713753206543756
Energy: 1.6323930150274304
Energy: 1.4005846746610804
Energy: 1.395512914328132
Energy: 1.4076812380203547
Energy: 1.6306231300579246
Energy: 1.80271093957359
Energy: 1.4003974277254372
Energy: 1.402398315461266
Energy: 1.3902681214040102
Energy: 1.4002123176385788
Energy: 1.7161436865619872
Energy: 1.6535293063076582
Energy: 1.7194210331762898
Energy: 1.3996663453949698
Energy: 1.7851973431655201
Energy: 1.949812064488947
Energy: 1.7216252506431167
Energy: 1.800782545499137
Energy: 1.9464857864168228
Energy: 2.1368865289541192

minimum gb energy = 1.3896314115480601 eV
minimum distance =  2.24968760162711 Angstroms
sigma value = 33


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

Energy: 1.896806106114563
Energy: 1.9229752484824
Energy: 1.571809808968624
Energy: 1.7511322709250092
Energy: 1.9223855518420176
Energy: 2.2370100912919115
Energy: 1.304671473706917
Energy: 1.8920140281551425
Energy: 1.9125410745136748
Energy: 1.7365375297154142
Energy: 1.9145659549482938
Energy: 1.890687373527917
Energy: 1.4676128094077967
Energy: 1.4585022068608815
Energy: 1.8977215902674125
Energy: 1.597383314173585
Energy: 1.6614756709621317
Energy: 1.4991216777261813
Energy: 1.4504438066911336
Energy: 1.504942694485452
Energy: 1.7629646154123257
Energy: 1.7388773954095993
Energy: 1.4639416370509848
Energy: 1.506056956830096
Energy: 1.4665291125342415
Energy: 1.5046837049501947
Energy: 1.655251739178073
Energy: 1.5494697723342243
Energy: 1.5066745985334034
Energy: 1.4714619244270506
Energy: 1.5088548362610408
Energy: 1.548859982200746
Energy: 2.176646184583795
Energy: 1.887355023104866
Energy: 2.17768567449909
Energy: 1.51275603235077
Energy: 1.7621217513274887
Energy: 1.5042931217303608
Energy: 1.9096542982638607
Energy: 1.550707212987008
Energy: 1.5065843160041739
Energy: 1.6311760395209969
Energy: 1.7616506673121144
Energy: 1.6521629012834156
Energy: 1.4782797954653304
Energy: 1.476230643771125
Energy: 1.490746424880895
Energy: 1.6813590185513247
Energy: 1.550158542059224
Energy: 1.5026412961032898
Energy: 1.503188520464435
Energy: 1.454158014113266
Energy: 1.5022612547550713
Energy: 1.707454693609035
Energy: 1.720904417963567
Energy: 1.669446108944157
Energy: 1.5240077660012021
Energy: 1.4517654413875258
Energy: 1.5222440986398398
Energy: 1.925042085020305
Energy: 1.7646160687080088
Energy: 1.891412618602146
Energy: 1.459198145576607
Energy: 1.3032185622499777
Energy: 1.8911182830339528
Energy: 1.891285831440383
Energy: 1.7404168766883406
Energy: 1.7233579267046113
Energy: 1.327867460701975
Energy: 1.7055218350893646
Energy: 1.868287060057635
Energy: 1.7358066455756198
Energy: 1.8216147314798952
Energy: 1.9458702892247801
Energy: 1.4778343585974978
Energy: 1.7047068560528957
Energy: 1.7549657560328846
Energy: 1.7682926988362602
Energy: 1.8413205300775934
Energy: 1.892352307655068
Energy: 1.32037255989275
Energy: 1.3039609000553667
Energy: 2.174637661771361
Energy: 2.1004530337006475
Energy: 1.8373549731605683
Energy: 1.5981652997669793
Energy: 1.3250725961550816
Energy: 1.304087902910095
Energy: 1.3259290259578953
Energy: 1.925284399430667
Energy: 1.8213031770668167
Energy: 1.330637426486671
Energy: 1.3267575167969212
Energy: 1.3211807962289421
Energy: 1.324248599707209
Energy: 1.769026190844335
Energy: 1.7922483247856422
Energy: 1.8948127625373594
Energy: 1.3202062602739373
Energy: 1.307187494115784
Energy: 1.3235393859235884
Energy: 1.8952829841425007
Energy: 1.8150353224088562
Energy: 1.9127210836847381
Energy: 1.8911393858817742
Energy: 1.3054299792939639
Energy: 1.893151985260504
Energy: 1.7345748824708072
Energy: 1.762967864752254
Energy: 1.767697062571102
Energy: 2.1028447423677075
Energy: 1.6774054976175363
Energy: 1.9275627763128775
Energy: 1.7481999049002643
Energy: 1.7370478039428388
Energy: 1.9124860180096175
Energy: 1.8932830956710598
Energy: 1.640146463937925
Energy: 1.6575274116448158
Energy: 1.7358911928099081
Energy: 1.6019663198457272
Energy: 1.8932036914583599
Energy: 1.5250775809095665
Energy: 1.4707384315764616
Energy: 1.459686814299825
Energy: 1.8922650395119822
Energy: 1.7364032680051764
Energy: 1.4583680225448037
Energy: 1.5041952305858421
Energy: 1.4672079452162254
Energy: 1.504696493311664
Energy: 1.7591113312545945
Energy: 1.549250421775327
Energy: 1.6397899800717928
Energy: 1.5046213783675564
Energy: 1.4674097604172176
Energy: 1.5034573125279969
Energy: 1.7277160163438086
Energy: 1.737024195535791
Energy: 2.1586939670775602
Energy: 1.3086975844961624
Energy: 1.5130034728514687
Energy: 1.6827792969131528
Energy: 2.1704598224967673
Energy: 1.5535125927834492
Energy: 1.7025183497280565
Energy: 1.4911612773793577
Energy: 1.7620246111488125
Energy: 1.5063870094327119
Energy: 1.8786252082022388
Energy: 1.3050496564272558
Energy: 1.490172850036952
Energy: 1.6792802829951679
Energy: 1.9843730221749216
Energy: 1.7298311422429251
Energy: 1.4846775533523984
Energy: 1.4510200795521095
Energy: 1.5080706264590273
Energy: 1.5007174993349792
Energy: 1.5500659511550086
Energy: 1.5226631204745855
Energy: 1.504516869933074
Energy: 1.4516734771770605
Energy: 1.5230063071772846
Energy: 1.659650692156457
Energy: 1.724063669853375
Energy: 1.4615863535728513
Energy: 1.5047990958255104
Energy: 1.3050923205726332
Energy: 1.582380921487518
Energy: 1.8901758124415136
Energy: 1.765382965101183
Energy: 1.8948114314101345
Energy: 1.484952417103494
Energy: 1.7045357594951325
Energy: 1.595777308679685
Energy: 1.70546216337242
Energy: 1.7384716561809435
Energy: 1.7472116089910836
Energy: 1.503980206260876
Energy: 1.7046828008649457
Energy: 1.7558816951539278
Energy: 1.7725105284353158
Energy: 1.8218487755335966
Energy: 1.9439351154377706
Energy: 1.5018773902007347
Energy: 1.303391844603004
Energy: 1.8922824296892984
Energy: 1.8929179377636185
Energy: 1.8407896228776133
Energy: 1.8908430359469568
Energy: 1.3205666690131088
Energy: 1.302652933479763
Energy: 1.3264896489094535
Energy: 1.7333084864345498
Energy: 1.8357993300153248
Energy: 1.5978564784762657
Energy: 1.3214502306137834
Energy: 1.318449957595182
Energy: 1.3289386817074895
Energy: 1.6023807525827158
Energy: 1.7686038905695334
Energy: 1.3249676226984577
Energy: 1.3231755633092175
Energy: 1.3044315323411366
Energy: 1.3222821307981194
Energy: 1.9212365035100147
Energy: 1.736774933056525
Energy: 1.5942778998273115
Energy: 1.33328141363623
Energy: 1.3040466419258305
Energy: 1.890684437818868
Energy: 1.9036009795003992
Energy: 1.8137761624024888
Energy: 1.8909401792255627
Energy: 1.3114072699987118
Energy: 1.758152152740811
Energy: 2.1256983904529703
Energy: 1.7662587545325188
Energy: 1.7278910308292728
Energy: 1.929077269798941
Energy: 1.6773382312480054

minimum gb energy = 1.302652933479763 eV
minimum distance =  2.24649883615014 Angstroms
sigma value = 41


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

Energy: 2.284194544007225
Energy: 1.9847671283598947
Energy: 1.4518210837194891
Energy: 1.436830097251353
Energy: 1.4593143319198467
Energy: 2.1005514078607392
Energy: 1.417986754023963
Energy: 1.1162390074344322
Energy: 1.1156269688775515
Energy: 1.5112135548754182
Energy: 1.1155493167028214
Energy: 1.4191552188372678
Energy: 1.4199391920172706
Energy: 1.1166535875708126
Energy: 1.116510245086685
Energy: 1.0595235056985282
Energy: 1.116229997459777
Energy: 1.418263445028889
Energy: 1.4323272248747632
Energy: 1.5938278520751574
Energy: 1.1024755198715852
Energy: 1.418683515094273
Energy: 1.1157964392663497
Energy: 1.5940453077604195
Energy: 1.4178281410622116
Energy: 1.4456984071301096
Energy: 1.6242749571142352
Energy: 1.5158925006799064
Energy: 1.4454228348876483
Energy: 1.4331325522284186
Energy: 1.4371715343702356
Energy: 1.445717865327371
Energy: 1.9630866706411023
Energy: 1.588177441130012
Energy: 1.9629244886558208
Energy: 1.4368485176701333
Energy: 1.7624565475610665
Energy: 1.4462631285289014
Energy: 1.9652754495479772
Energy: 1.4161211089194223
Energy: 1.5957883145624268
Energy: 1.7637550534090234
Energy: 1.761563365476796
Energy: 1.5946285282590902
Energy: 1.4336264867140824
Energy: 1.4145331988241683
Energy: 1.4317729094657212
Energy: 2.097879008889988
Energy: 1.4146450015568852
Energy: 1.1126309328232615
Energy: 1.1031117957422811
Energy: 1.0589668671619967
Energy: 1.1023553182602372
Energy: 1.4158719013706256
Energy: 1.4278743568218926
Energy: 1.1155678306920296
Energy: 1.1150073809344103
Energy: 1.5116091060962387
Energy: 1.1022053317185903
Energy: 1.4462714039953328
Energy: 1.4296103986877726
Energy: 1.59475545745653
Energy: 1.4171656275095967
Energy: 1.4157844655332357
Energy: 1.5953851336101372
Energy: 1.5946626827674
Energy: 1.4130970671556125
Energy: 1.432815136110889
Energy: 1.1156911449013382
Energy: 1.4118518896033097
Energy: 1.4335402889645354
Energy: 1.4336177685411204
Energy: 1.4145211546279777
Energy: 1.4328919203379604
Energy: 1.1157001696161641
Energy: 1.510167255627149
Energy: 1.4463327740828462
Energy: 1.4155008681286074
Energy: 1.7612565825374673
Energy: 1.5931073900984207
Energy: 1.434365076513714
Energy: 1.4377274731551541
Energy: 1.964559525658378
Energy: 2.09652171570517

minimum gb energy = 1.0589668671619967 eV
minimum distance =  2.27427851955497 Angstroms
sigma value = 11


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

Energy: 1.9005972271422789
Energy: 1.991585497391751
Energy: 1.6174262703512137
Energy: 1.7349458576077827
Energy: 1.6175765197427237
Energy: 2.2931043141075795
Energy: 1.3514613542976406
Energy: 1.6111495498775437
Energy: 1.6689382863452018
Energy: 1.7183165412806705
Energy: 1.5684909441876524
Energy: 1.6246056677235987
Energy: 1.3509240551769786
Energy: 1.3900665916897295
Energy: 1.7473140304460517
Energy: 1.7472604297819059
Energy: 1.6263540464736583
Energy: 1.3519662654502906
Energy: 1.3519122674369788
Energy: 1.3895859752171287
Energy: 1.7737583554764422
Energy: 1.6839703038819878
Energy: 1.3906330522373076
Energy: 1.377708144444625
Energy: 1.3503302801133765
Energy: 1.377261435817955
Energy: 1.6103553814898632
Energy: 1.7164591340822968
Energy: 1.3906815930484995
Energy: 1.3763357623945083
Energy: 1.3506040751635404
Energy: 1.3888089476872238
Energy: 2.0663268851937775
Energy: 1.71657179784448
Energy: 2.0617668293310554
Energy: 1.3527976544666
Energy: 1.5147579300987808
Energy: 1.601452446729828
Energy: 1.7165599904308706
Energy: 1.7172924964702077
Energy: 1.701526697245993
Energy: 1.6189742408666081
Energy: 1.5141916671834592
Energy: 1.888792874181607
Energy: 1.5093614636325532
Energy: 1.4803843500942802
Energy: 1.6257760799874568
Energy: 1.685095071392148
Energy: 1.3502882166731442
Energy: 2.003575843147711
Energy: 1.7015584177838197
Energy: 1.7838807952566589
Energy: 1.7014799381621022
Energy: 1.3524343968293395
Energy: 1.5109531295188052
Energy: 1.4984850974378923
Energy: 1.7020444807213952
Energy: 1.68275271941972
Energy: 1.610101502456847
Energy: 1.4954043916231783
Energy: 1.4953909466917998
Energy: 1.6061368855051776
Energy: 1.5793574022205255
Energy: 1.5104299390148026
Energy: 1.6069337780313326
Energy: 1.5315045381606434
Energy: 1.4964912384026485
Energy: 1.6012130695453812
Energy: 1.6076414175324478
Energy: 1.4955755809178537
Energy: 1.6340109635336366
Energy: 1.5804497582513306
Energy: 1.5150469145258998
Energy: 1.608847722475623
Energy: 1.5318918592855788
Energy: 1.4974687971025402
Energy: 1.6100241639484119
Energy: 1.5072838712183065
Energy: 1.6750213639597762
Energy: 1.3769019673501903
Energy: 1.3520795563219685
Energy: 1.4640020469142037
Energy: 1.3770839350364754
Energy: 1.6201368143896906
Energy: 1.5774280596931018
Energy: 1.6251291617933483
Energy: 1.4958835507706845
Energy: 1.350665762623116
Energy: 1.6000922593197293
Energy: 1.6205515017521759
Energy: 1.7349861908437751
Energy: 1.4800346947378682
Energy: 2.086654523045
Energy: 2.293817588957056
Energy: 1.8501102298418022
Energy: 1.6204505391562747
Energy: 1.7169229581444438
Energy: 1.6214474733072526
Energy: 1.599265120537632
Energy: 1.3400652543533897
Energy: 1.6112861783422001
Energy: 1.6724522428399184
Energy: 1.6412273244126512
Energy: 1.8074546230563289
Energy: 1.352275818966166
Energy: 1.350480660486833
Energy: 1.3897119365405448
Energy: 1.8217148378373382
Energy: 1.67684985799046
Energy: 1.3903651661143757
Energy: 1.3890551145756747
Energy: 1.3790682301461377
Energy: 1.3896325889044157
Energy: 1.7455643713466897
Energy: 1.7170846477306851
Energy: 1.3898168115931304
Energy: 1.3766847100499326
Energy: 1.3525536596490686
Energy: 1.389597449640263
Energy: 1.746981460792975
Energy: 1.7162434011728627
Energy: 2.0603096038352238
Energy: 1.3517673585584835
Energy: 1.3506861869634477
Energy: 1.6159894363537703
Energy: 2.063342873604258
Energy: 1.7174155410379195
Energy: 1.678049667514793
Energy: 1.5984278579015812
Energy: 1.5154577294060023
Energy: 1.5325479563701965
Energy: 1.6780431111114276
Energy: 1.7397860446949949
Energy: 1.5093072297192127
Energy: 2.0575855933326883
Energy: 1.6752388859792593
Energy: 1.7673577868768513
Energy: 1.5089923141818213
Energy: 1.6827077112861115
Energy: 1.701449576526907
Energy: 1.4974172958180747
Energy: 1.351521317606436
Energy: 1.5793112802789944
Energy: 1.6860844929975374
Energy: 1.7838763396770252
Energy: 1.6248092143827981
Energy: 1.4645622857731564
Energy: 1.3509463182830157
Energy: 1.498011980529361
Energy: 1.5827931781688873
Energy: 1.5198400480067877
Energy: 1.6082236240695313
Energy: 1.5313124795324906
Energy: 1.4955672925517731
Energy: 1.6119550192359409
Energy: 1.5092780452672083
Energy: 1.4953332342546615
Energy: 1.60007234776841
Energy: 1.6006471429214544
Energy: 1.4952707772991376
Energy: 1.6134736693690366
Energy: 1.5317008059324906
Energy: 1.4952604774589022
Energy: 1.6068022951935939
Energy: 1.522963228632028
Energy: 1.516615324243268
Energy: 1.608322742931735
Energy: 1.5324793945268314
Energy: 1.465019331569052
Energy: 1.3515790391875053
Energy: 1.6203965328076235
Energy: 1.675480148774328
Energy: 1.5310770426251596
Energy: 1.3503791364080893
Energy: 1.3504212075615079
Energy: 1.4962033831296708
Energy: 1.750045917043266
Energy: 1.5772998758030563
Energy: 1.6248506596986914
Energy: 1.5831332910072242
Energy: 1.6805906345019688
Energy: 1.9536428822158505
Energy: 1.4808316039005334
Energy: 1.6186704099858245
Energy: 1.5083070934903602
Energy: 1.819190659076533

minimum gb energy = 1.3400652543533897 eV
minimum distance =  2.24961347207923 Angstroms
sigma value = 57


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

Energy: 2.671842641477276
Energy: 2.140588028564904
Energy: 1.679181766149288
Energy: 1.6768532936424636
Energy: 1.6770202634286393
Energy: 2.3208464447793653
Energy: 1.4897645893540141
Energy: 1.5006182130159975
Energy: 1.5008858958945117
Energy: 1.6994960310413625
Energy: 1.500277112706757
Energy: 1.4815263899357238
Energy: 1.4291838846967369
Energy: 1.6501912865830517
Energy: 1.4861885878540542
Energy: 1.4773631495698898
Energy: 1.4997629084919597
Energy: 1.4309911423508832
Energy: 1.4292306777868498
Energy: 1.4791347059381137
Energy: 1.4803378611579092
Energy: 1.486972635563459
Energy: 1.480531211183584
Energy: 1.4609663402058388
Energy: 1.4298785036004753
Energy: 1.461865983326601
Energy: 1.4811454754454143
Energy: 1.6980964926004
Energy: 1.481026682269704
Energy: 1.4611675918427705
Energy: 1.4291608904786561
Energy: 1.507353470210793
Energy: 1.9088854474471233
Energy: 1.6976765000726806
Energy: 1.9064318887581804
Energy: 1.4324008055536464
Energy: 1.4694611294359528
Energy: 1.5004877015758424
Energy: 1.4743971194340784
Energy: 1.4734767279549221
Energy: 1.4746916539371353
Energy: 1.5012936571044975
Energy: 1.6976902301334065
Energy: 1.4626104586415478
Energy: 1.5354863231282103
Energy: 1.67742697312565
Energy: 1.5326193425334045
Energy: 1.500835603935201
Energy: 1.6765757962793322
Energy: 1.4298942451312782
Energy: 1.7628192385076935
Energy: 1.9617283464294832
Energy: 1.9094574747419328
Energy: 1.5355565410780336
Energy: 1.675480091591362
Energy: 1.4297710925834757
Energy: 1.7629507239653852
Energy: 1.9629211612348947
Energy: 1.499550210580035
Energy: 1.4745154218796437
Energy: 1.411712659881952
Energy: 1.488382899607564
Energy: 1.4776130243275556
Energy: 1.500248232833122
Energy: 1.5316028715080579
Energy: 1.499969249780547
Energy: 1.411661169561384
Energy: 1.500271469427551
Energy: 1.4626288076771679
Energy: 1.4309237650622304
Energy: 1.4621654064857366
Energy: 1.5004499361897305
Energy: 1.4730170167018928
Energy: 1.4807300981865068
Energy: 1.480264215968551
Energy: 1.4306793304669694
Energy: 1.4805595804284264
Energy: 1.4861114979542216
Energy: 1.6970315252588168
Energy: 1.500408978412224
Energy: 1.4600698589451109
Energy: 1.4317936390343426
Energy: 1.5074264477076245
Energy: 1.9088340318410035
Energy: 1.697380577492682
Energy: 1.539913764827071
Energy: 1.4796899770264744
Energy: 1.5425375969463841
Energy: 1.5004197784340874
Energy: 1.6983781448643314
Energy: 1.6767606213551058
Energy: 1.6805333576176213
Energy: 1.5190469017374453
Energy: 1.9005779989680354
Energy: 1.5177466746255674
Energy: 1.6799830360854067
Energy: 1.7513083011325856
Energy: 1.7455505577789199
Energy: 1.5010531425059848
Energy: 1.787102429960738
Energy: 1.4993169763436136
Energy: 1.6971501947980283

minimum gb energy = 1.411661169561384 eV
minimum distance =  2.24450010293115 Angstroms
sigma value = 9


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

Energy: 2.8566778243051325
Energy: 1.604085523027773
Energy: 1.570226116199137
Energy: 1.5706528693056065
Energy: 1.5710617899479369
Energy: 2.322114947713764
Energy: 1.521231806209782
Energy: 1.6012286049989715
Energy: 1.6007561727963615
Energy: 1.5502305888613295
Energy: 1.6491556522527038
Energy: 1.4743926817929072
Energy: 1.466420524061238
Energy: 1.4964448420790961
Energy: 1.6803911164854588
Energy: 1.637754728157644
Energy: 1.6282341447129725
Energy: 1.4960786028354685
Energy: 1.4725731585291455
Energy: 1.5732407647679012
Energy: 1.7016725123383538
Energy: 1.4715221389194382
Energy: 1.5732231253212834
Energy: 1.5263511841241142
Energy: 1.4967270433685533
Energy: 1.5914399808984767
Energy: 1.646473415901835
Energy: 1.4990875625667086
Energy: 1.5417878052967533
Energy: 1.5880188222113978
Energy: 1.479665093274101
Energy: 1.7012299016367127
Energy: 1.574051719353045
Energy: 1.4984435244315282
Energy: 1.571880784230425
Energy: 1.4796423403086034
Energy: 1.5521464395536462
Energy: 1.5740770080400466
Energy: 1.52513570718514
Energy: 1.4947555135523176
Energy: 1.5246780651961465
Energy: 1.7018331525949792
Energy: 1.5520581563019602
Energy: 1.6492344928635567
Energy: 1.497440602470345
Energy: 1.4651173988601576
Energy: 1.5735092344377828
Energy: 1.636184967342081
Energy: 1.5645369768482842
Energy: 1.5220388916599517
Energy: 1.6502658731686382
Energy: 1.5479095582074995
Energy: 1.5930052286418113
Energy: 1.5214430390521867
Energy: 1.5644668876377814
Energy: 1.5190163749120968
Energy: 1.6503957545577912
Energy: 1.5481274814164976
Energy: 1.649558377116807
Energy: 1.5243993864805858
Energy: 1.5688695536084833
Energy: 1.6493326140989395
Energy: 1.4700235933909924
Energy: 1.5211023422288108
Energy: 1.470948205341996
Energy: 1.6288650440959018
Energy: 1.5711248728802272
Energy: 1.6495699678427407
Energy: 1.508612343248075
Energy: 1.5196796079871338
Energy: 1.539697256311829
Energy: 1.6284103646852737
Energy: 1.4639463792003509
Energy: 1.4971214285068803
Energy: 1.6503203301456264
Energy: 1.5172651007828415
Energy: 1.5768061702059752
Energy: 1.4680083709314116
Energy: 1.4664582082035607
Energy: 1.4977971252609656
Energy: 1.6998638060486344
Energy: 1.5168610449569566
Energy: 1.5731739789981514
Energy: 1.4981350162120943
Energy: 1.4961606585816773
Energy: 1.5739223558540936
Energy: 1.6481199005982672
Energy: 1.4738983937555394
Energy: 1.572824648142008
Energy: 1.5853910136733245
Energy: 1.497180984768708
Energy: 1.5436397303937386
Energy: 1.6043072267860987
Energy: 1.5868101852099705
Energy: 1.573131938067757
Energy: 1.6446848318783123
Energy: 1.5174060249430121
Energy: 1.5745163679695116
Energy: 1.5290460678556181
Energy: 1.5240777081338703
Energy: 1.572096829590879
Energy: 1.7035064245689449
Energy: 1.5500333934756485
Energy: 1.6247689369207923
Energy: 1.4964727943594542
Energy: 1.465339505234655
Energy: 1.5919025502879303
Energy: 1.6360868046813188
Energy: 1.5175551227901036
Energy: 1.5539664153191683
Energy: 1.6504036266960977
Energy: 1.4656073104328824
Energy: 1.6492209045542487
Energy: 1.5221932955833937
Energy: 1.5690283840371946
Energy: 1.467980109892775
Energy: 1.473616283174863
Energy: 1.6340658565508257
Energy: 1.4664329643351337
Energy: 1.5720919183906643
Energy: 1.5674626745894242
Energy: 1.6527678636851941
Energy: 1.4747135617138583
Energy: 1.5212111976947897
Energy: 1.6501199987803723
Energy: 1.552410130484716

minimum gb energy = 1.4639463792003509 eV
minimum distance =  2.28599481564708 Angstroms
sigma value = 27


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

Energy: 1.7886760299689746
Energy: 1.5589233725381149
Energy: 1.5596928563716943
Energy: 1.5582719766030784
Energy: 1.5583516916718425
Energy: 2.135071749370719
Energy: 1.4918957015424161
Energy: 1.6938162945694357
Energy: 1.509182865856517
Energy: 1.5327265208978527
Energy: 1.776368192428728
Energy: 1.5031957211582319
Energy: 1.487089366924134
Energy: 1.5240462021581143
Energy: 1.8726786688537524
Energy: 1.872993924210001
Energy: 1.6787004378867276
Energy: 1.5216739638912606
Energy: 1.4999439953357343
Energy: 1.6703855473702571
Energy: 1.813426488800113
Energy: 1.5102583427889296
Energy: 1.6686211627995224
Energy: 1.5240055942435884
Energy: 1.4975755193628135
Energy: 1.7063483221387703
Energy: 1.5817866475971618
Energy: 1.5065480152046216
Energy: 1.6400645839437098
Energy: 1.6859234104540284
Energy: 1.4861172282677146
Energy: 1.6517928945153495
Energy: 1.5773792410435086
Energy: 1.492748616842452
Energy: 1.5795307349438779
Energy: 1.6007911462997686
Energy: 1.4579797704403912
Energy: 1.6229571563839247
Energy: 1.5819314446411183
Energy: 1.5532763080693008
Energy: 1.606919091816377
Energy: 1.6034955671315785
Energy: 1.4577266943365763
Energy: 1.6800877169133788
Energy: 1.6020211712725798
Energy: 1.4925237500711637
Energy: 1.6786617329105038
Energy: 1.6887911809845655
Energy: 1.458650156958845
Energy: 1.5013564257904273
Energy: 1.7149086910639426
Energy: 1.5138256342237055
Energy: 1.5035000718734373
Energy: 1.5042139458194916
Energy: 1.4624885054234933
Energy: 1.5136108902688319
Energy: 1.7145030520925248
Energy: 1.566701734629858
Energy: 1.7127664412986456
Energy: 1.4669869234222583
Energy: 1.5260525132569662
Energy: 1.4887641965081164
Energy: 1.5428681146280014
Energy: 1.5366572441648643
Energy: 1.5426100926586095
Energy: 1.667089212950628
Energy: 1.5026516859084937
Energy: 1.7345103643333832
Energy: 1.4659567993279106
Energy: 1.5771675121326103
Energy: 1.6192000744083588
Energy: 1.7414651936942045
Energy: 1.4637914880710245
Energy: 1.4635670991551835
Energy: 1.7366216578649745
Energy: 1.4465733924972866
Energy: 1.44848299666794
Energy: 1.4674841019472755
Energy: 1.4636525814610564
Energy: 1.4487021150389128
Energy: 1.7366684517432946
Energy: 1.462613333079874
Energy: 1.7352912387738533
Energy: 1.4669424665659807
Energy: 1.4935955200516697
Energy: 1.7696894897526119
Energy: 1.4961047287433986
Energy: 1.5067089295470069
Energy: 1.5106081429898026
Energy: 1.872685461619688
Energy: 1.4923397464999473
Energy: 1.6153778543495338
Energy: 1.5543546870812255
Energy: 1.5113885389745065
Energy: 1.5966845029221546
Energy: 1.6229719465008199
Energy: 1.4662551164369981
Energy: 1.6273754715026731
Energy: 1.7442984405130786
Energy: 1.4983974565455396
Energy: 1.587261252046921
Energy: 1.630052755262212
Energy: 1.4919012534199054
Energy: 1.576799248577253
Energy: 1.693543532768963
Energy: 1.5102268568154078
Energy: 1.6972392569586334
Energy: 1.5671777052337321
Energy: 1.4666128376986123
Energy: 1.5812184268472933
Energy: 1.632540714338122
Energy: 1.4842251680839165
Energy: 1.6299839558232048
Energy: 1.5788269161217394
Energy: 1.4659661441759393
Energy: 1.6059248069210836
Energy: 1.6920901344197639
Energy: 1.6922065824003982
Energy: 1.7057514895539096
Energy: 1.551658780700895
Energy: 1.4993040317782738
Energy: 1.6765267925606393
Energy: 1.5281528295070994
Energy: 1.483837337101943
Energy: 1.5587174907778716
Energy: 1.6473009730574657
Energy: 1.4883890263061754
Energy: 1.6469155293505495
Energy: 1.5024827068905169
Energy: 1.4802258967301114
Energy: 1.5036640253614773
Energy: 1.6772098112018419
Energy: 1.565348926965854
Energy: 1.5129736654682449
Energy: 1.776476395869916
Energy: 1.503803076542735
Energy: 1.77634683590441
Energy: 1.5024401082997905
Energy: 1.5596884751893967
Energy: 1.4953409816476104
Energy: 1.6598188224419812
Energy: 1.502368952991306
Energy: 1.5004271328589314
Energy: 1.568329289458171
Energy: 1.4744201220941389
Energy: 1.7763535825550447
Energy: 1.5073415083089603
Energy: 1.5383621177178093
Energy: 1.5092867550459528
Energy: 1.7683459095497998

minimum gb energy = 1.4465733924972866 eV
minimum distance =  2.26254280760563 Angstroms
sigma value = 19


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

Energy: 1.5824552281662778
Energy: 1.494185554112485
Energy: 1.4949833251517204
Energy: 1.4955071359434655
Energy: 1.495006276951357
Energy: 1.4450013411406355
Energy: 1.4246696529037237
Energy: 1.6678462470866051
Energy: 1.4424663300041791
Energy: 1.4719978051143674
Energy: 1.806478856875107
Energy: 1.435751283267569
Energy: 1.4253482827418107
Energy: 1.4887297404733861
Energy: 1.65840486020674
Energy: 1.8889096134052612
Energy: 1.4885005730332264
Energy: 1.4904019005946327
Energy: 1.428670638378104
Energy: 1.6928992859210215
Energy: 1.7044439615312967
Energy: 1.4232538476677081
Energy: 1.692709821181827
Energy: 1.499422539299415
Energy: 1.4067570197834127
Energy: 1.715423970397235
Energy: 1.519296298305109
Energy: 1.4493603322288633
Energy: 1.5199466188379667
Energy: 1.7212791336285294
Energy: 1.426519054183963
Energy: 1.5504166788379166
Energy: 1.550454025090152
Energy: 1.4153386159602737
Energy: 1.5500079499543993
Energy: 1.4266815481014112
Energy: 1.4206273252282482
Energy: 1.5917626235674773
Energy: 1.5610970504344908
Energy: 1.5605539221793066
Energy: 1.560725460222201
Energy: 1.5673159429524064
Energy: 1.4203924319646954
Energy: 1.555803577927358
Energy: 1.5781116915582047
Energy: 1.414663758740675
Energy: 1.5560546292466673
Energy: 1.566367346228734
Energy: 1.4266179662470717
Energy: 1.526297467755204
Energy: 1.6192757958008683
Energy: 1.4223513199447197
Energy: 1.5665526519616717
Energy: 1.526772914224411
Energy: 1.4239965105098957
Energy: 1.6146019069353783
Energy: 1.7007702416375046
Energy: 1.4280194805457997
Energy: 1.6999205270853925
Energy: 1.4229310567918756
Energy: 1.429006784494484
Energy: 1.4538196313147043
Energy: 1.4546138856820274
Energy: 1.4227340388536998
Energy: 1.4545386556925168
Energy: 1.75280009973563
Energy: 1.443811699398245
Energy: 1.736120542835088
Energy: 1.4740255590208498
Energy: 1.4372046901978528
Energy: 1.4633926130955663
Energy: 1.737296815905621
Energy: 1.4782383863111768
Energy: 1.4771188164054452
Energy: 1.574173322046359
Energy: 1.4801427445756559
Energy: 1.4764520149389595
Energy: 1.4554134865891952
Energy: 1.4804233628086971
Energy: 1.3875615302988846
Energy: 1.7734333013185755
Energy: 1.4273809551102723
Energy: 1.7707686671653564
Energy: 1.3872801313832415
Energy: 1.4239678839221983
Energy: 1.4261290047594006
Energy: 1.4406264556091937
Energy: 1.4408126137127504
Energy: 1.4407671425901647
Energy: 1.7729485710556603
Energy: 1.3859822643776587
Energy: 1.7735981883273266
Energy: 1.4245790601110153
Energy: 1.4407389333427703
Energy: 1.4251767479885362
Energy: 1.7747013489265844
Energy: 1.4250788220454298
Energy: 1.488009656511876
Energy: 1.7927840430579982
Energy: 1.8894566329502884
Energy: 1.6507646132344802
Energy: 1.4864019508920234
Energy: 1.4315236372286055
Energy: 1.5309835604455788
Energy: 1.6315336868096286
Energy: 1.4650641161432354
Energy: 1.6310671383825504
Energy: 1.531285792402287
Energy: 1.406988014777757
Energy: 1.605011686753631
Energy: 1.4823093801364826
Energy: 1.4053579683351374
Energy: 1.5729440014125993
Energy: 1.6298144192137916
Energy: 1.4295264613560437
Energy: 1.670425551027891
Energy: 1.4930480434795443
Energy: 1.4130732695004589
Energy: 1.51543006929391
Energy: 1.6773337434284308
Energy: 1.4177549208410052
Energy: 1.6132477226492616
Energy: 1.5677805587700866
Energy: 1.5280057721211286
Energy: 1.562987397331273
Energy: 1.6205935981345532
Energy: 1.4173800467959827
Energy: 1.5697257805250964
Energy: 1.5998896079616942
Energy: 1.4136294976130905
Energy: 1.6022212161996756
Energy: 1.5676356588763596
Energy: 1.4148147877943247
Energy: 1.5257347173175202
Energy: 1.6133077906880573
Energy: 1.4286383491339598
Energy: 1.6299892123113104
Energy: 1.5266849958897517
Energy: 1.4164758692014132
Energy: 1.5592070129418674
Energy: 1.7078434769999502
Energy: 1.428360764728507
Energy: 1.706409750125522
Energy: 1.533199819980118
Energy: 1.438286040963283
Energy: 1.6925888072168604
Energy: 1.4931028785383114
Energy: 1.431716879460699
Energy: 1.4907768862604416
Energy: 1.6919260565289305
Energy: 1.4285495773753276
Energy: 1.6517966676082938
Energy: 1.4620280445981562
Energy: 1.4279267884336504
Energy: 1.4905322957557803
Energy: 1.8064370846418516
Energy: 1.4854920172282513
Energy: 1.438371230477687
Energy: 1.8065018135374384
Energy: 1.427371948359285
Energy: 1.8057574550265953
Energy: 1.4410382048188954
Energy: 1.481670561162694
Energy: 1.4222755384070198
Energy: 1.892049245089652
Energy: 1.4812954441038078
Energy: 1.4387337144871666
Energy: 1.424647764018431
Energy: 1.4573407623473418
Energy: 1.4420320151982222
Energy: 1.4573863232666096
Energy: 1.4936693571040223
Energy: 1.4414272623785465
Energy: 1.7939861264128618

minimum gb energy = 1.3859822643776587 eV
minimum distance =  2.26537657535788 Angstroms
sigma value = 101


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

Energy: 1.5382884076052272
Energy: 1.3851876831290424
Energy: 1.3819202395848227
Energy: 1.3805063945300518
Energy: 1.3809693723781862
Energy: 1.796046126455155
Energy: 1.3310435390102187
Energy: 1.6356726478458004
Energy: 1.328371339255181
Energy: 1.4725760130101309
Energy: 1.8119912204151816
Energy: 1.328127636657772
Energy: 1.327406388766345
Energy: 1.416764170364474
Energy: 1.6496662565002487
Energy: 1.7970184104109126
Energy: 1.4112674244282533
Energy: 1.415875980483884
Energy: 1.3496099044078482
Energy: 1.5982112754794477
Energy: 1.5765012089762185
Energy: 1.3263909820119224
Energy: 1.6987948810489268
Energy: 1.4108609327447155
Energy: 1.325003941542132
Energy: 1.4682429866102533
Energy: 1.471112896089573
Energy: 1.4125781761224125
Energy: 1.4725468820858676
Energy: 1.6196996588586117
Energy: 1.342974826371537
Energy: 1.5398013701201272
Energy: 1.5395504022739492
Energy: 1.3259980648315737
Energy: 1.5396916604478845
Energy: 1.3329678416967388
Energy: 1.3276876710846952
Energy: 1.4652565515517868
Energy: 1.479347310166597
Energy: 1.5497197278510884
Energy: 1.5177059258627592
Energy: 1.4630361230208626
Energy: 1.327616331637098
Energy: 1.48915817257623
Energy: 1.4515453384220396
Energy: 1.3293836046186591
Energy: 1.4875205939806435
Energy: 1.4629892800146072
Energy: 1.3452594588496454
Energy: 1.4968266181505978
Energy: 1.5062063879826877
Energy: 1.3263379151875825
Energy: 1.507102896819849
Energy: 1.4643751612819866
Energy: 1.3321373503569325
Energy: 1.5483775214948499
Energy: 1.5391454132849751
Energy: 1.3255752343365772
Energy: 1.5378317870574862
Energy: 1.4489915818750378
Energy: 1.3277330455817273
Energy: 1.5645357057335212
Energy: 1.474659303491732
Energy: 1.473417401888915
Energy: 1.4671485276620493
Energy: 1.6062184243152697
Energy: 1.3712120742134204
Energy: 1.6975569574121863
Energy: 1.4539819916268175
Energy: 1.3257565022799571
Energy: 1.5314133779001569
Energy: 1.7113038514102092
Energy: 1.3274378659506945
Energy: 1.4572363260167664
Energy: 1.527172348846096
Energy: 1.3707053920099064
Energy: 1.4104198801706045
Energy: 1.4569984810956143
Energy: 1.3272573428625325
Energy: 1.4113974992466514
Energy: 1.7001105071126663
Energy: 1.3695098158252412
Energy: 1.6987064076633422
Energy: 1.415485419265682
Energy: 1.4821450357215342
Energy: 1.3251582279355847
Energy: 1.3283194265389588
Energy: 1.3831095320998197
Energy: 1.3272311350083508
Energy: 1.5029542516953636
Energy: 1.3756245996215943
Energy: 1.812324917313038
Energy: 1.3277452471953115
Energy: 1.3828121195003784
Energy: 1.4100005446163373
Energy: 1.5894940989933937
Energy: 1.3818056918274817
Energy: 1.329011240179627
Energy: 1.415360212959856
Energy: 1.8020766460837028
Energy: 1.409891423637603
Energy: 1.3831230978839884
Energy: 1.3826900687393644
Energy: 1.4087265151326647
Energy: 1.8128876271981809
Energy: 1.326160850453227
Energy: 1.8121409020926773
Energy: 1.3281820580545183
Energy: 1.4078410293016963
Energy: 1.4084651195219806
Energy: 1.4133265661241128
Energy: 1.3285301852983222
Energy: 1.410474936267921
Energy: 1.803929265240025
Energy: 1.3648299389922482
Energy: 1.6994223075205306
Energy: 1.4115590616017093
Energy: 1.3508737346353732
Energy: 1.519490885580883
Energy: 1.5660319846508641
Energy: 1.325543788956231
Energy: 1.4725511570270624
Energy: 1.7153786390878205
Energy: 1.6099719180130458
Energy: 1.5298914803119443
Energy: 1.4703346292738584
Energy: 1.3249342770904942
Energy: 1.4680100307772899
Energy: 1.6056552267416588
Energy: 1.3503284653062593
Energy: 1.5393816351934113
Energy: 1.389956827175053
Energy: 1.3259964743563186
Energy: 1.5389128716391096
Energy: 1.4965823001588652
Energy: 1.3279418521117612
Energy: 1.553172052733538
Energy: 1.5538192559992001
Energy: 1.3254380584037713
Energy: 1.573589007047912
Energy: 1.4634418464441656
Energy: 1.3279531276777958
Energy: 1.4869497972939374
Energy: 1.5790635723405284
Energy: 1.3254055522264976
Energy: 1.573563442880926
Energy: 1.4668676521346289
Energy: 1.4076784869954444
Energy: 1.5028141078324897
Energy: 1.5741073189993555
Energy: 1.326075600579854
Energy: 1.5493245752275664
Energy: 1.5500912141223628
Energy: 1.3285527988760695
Energy: 1.5504826803687253
Energy: 1.548660012210766
Energy: 1.3258401414638425
Energy: 1.4675346226862054
Energy: 1.6062071558220143
Energy: 1.3718795209722965
Energy: 1.6048687308414826
Energy: 1.4701043570291978
Energy: 1.3251171106363788
Energy: 1.5315103545399598
Energy: 1.7116222844133853
Energy: 1.3280825942811063
Energy: 1.7077379156711616
Energy: 1.530588552879055
Energy: 1.369376661758707
Energy: 1.6990062382939328
Energy: 1.4575344739254812
Energy: 1.3726812760070544
Energy: 1.4164078750166886
Energy: 1.7007087448251768
Energy: 1.3665149865648731
Energy: 1.4109772805011351
Energy: 1.4165196487971694
Energy: 1.3275223839834829
Energy: 1.4101242639836666
Energy: 1.7012440816674792
Energy: 1.3822698892704004
Energy: 1.328363942761261
Energy: 1.8127049248966673
Energy: 1.3755217166005733
Energy: 1.3280023147532056
Energy: 1.3279809355823566
Energy: 1.382811803255838
Energy: 1.3290496003084886
Energy: 1.8126600052384105
Energy: 1.4823537211072717
Energy: 1.3253781261440747
Energy: 1.3292376514171753
Energy: 1.411452734431306
Energy: 1.8121563954016344
Energy: 1.3286631374602578
Energy: 1.383563147344996
Energy: 1.3261251617286265
Energy: 1.8049554503706966

minimum gb energy = 1.3249342770904942 eV
minimum distance =  2.26780307405006 Angstroms
sigma value = 33


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

Energy: 0.01501489320032357
Energy: 0.0718226932007947
Energy: 0.07387628145674176
Energy: 0.06923628695463957
Energy: 0.07064673857321405
Energy: 0.015670947364283982
Energy: 0.10830420999965042
Energy: 0.07120377855309284
Energy: 0.10814440915522242
Energy: 0.10906672497429436
Energy: 0.07002845919397771
Energy: 0.10798602501764824
Energy: 1.0002835701267385
Energy: 0.07226384529545259
Energy: 0.016001685628040434
Energy: 0.01663839775563217
Energy: 0.07001858993433033
Energy: 0.07644122978856059
Energy: 0.015311711212553349
Energy: 0.07120377855309284
Energy: 0.10814440915522242
Energy: 0.10906672497429436
Energy: 0.07002845919469078
Energy: 0.10798602501832168

minimum gb energy = 0.01501489320032357 eV
minimum distance =  2.44334374674923 Angstroms
sigma value = 1