Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
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=2.868830233812332
cohesive_energy=4.130745590537839
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=[1.9559532565535397e-19, 2.7100016675793e-19, 3.28420575143856e-19, 3.7546688982463196e-19, 4.1539954025044794e-19, 4.49724572457264e-19, 4.79576327501952e-19, 5.057494849949759e-19, 5.2891856129925e-19, 5.49365539502358e-19, 5.674156614610019e-19, 5.833493080861319e-19, 5.97488516881182e-19, 6.098813531451719e-19, 6.20673614951796e-19, 6.299854655486039e-19, 6.379258529467079e-19, 6.4458770339088e-19, 6.500511257128199e-19, 6.543882178610579e-19, 6.576742821373919e-19, 6.599782121370839e-19, 6.61325642686278e-19, 6.61766241260628e-19, 6.61291996976964e-19, 6.597555095849579e-19, 6.570045723043799e-19, 6.5287896747183e-19, 6.47061464113776e-19, 6.39222013843614e-19, 6.289152115570919e-19, 6.15657199910742e-19, 5.988519691967159e-19, 5.77764120340008e-19, 5.5158936067035e-19, 5.19102025062732e-19, 4.78863358899822e-19, 4.2916864624304393e-19, 3.6771876362260793e-19, 2.91344605656462e-19, 1.9603592422970398e-19, 7.645795180410419e-20, -7.4571709252896e-20, -2.6681848574319e-19, -5.14745706794886e-19, -8.38487926167462e-19, -1.2681676667567519e-18, -1.8511548829236e-18, -2.6616159332324998e-18, -3.824539821255059e-18, -5.562581033818259e-18, -8.304081494021999e-18, -1.296407632107636e-17, -2.1799856152857597e-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: 0.012647550440173792
Energy: 0.3024580008845372
Energy: 0.3032798832638936
Energy: 0.3025993051399809
Energy: 0.30262345198859
Energy: 0.012750602490441186
Energy: 0.3024580008840393
Energy: -0.29614118806175865
Energy: 0.30349820151115814
Energy: 0.3037326198081285
Energy: 0.3031161327992607
Energy: 0.30291420070648817
Energy: 0.3032798832648618
Energy: 0.30349820150191814
Energy: -0.306386750345852
Energy: 0.01346832499708614
Energy: 0.3028953388444594
Energy: 0.30310078722584294
Energy: 0.30259930505920074
Energy: 0.3037326198090968
Energy: 0.013468324996588179
Energy: 0.01284348273772398
Energy: 0.30302181416816654
Energy: 0.3028480774391931
Energy: 0.30262345198811974
Energy: 0.30311613279975863
Energy: 0.30289531323106555
Energy: 0.3030218116204103
Energy: -0.2982661250291202
Energy: 0.30312559292682195
Energy: 0.012750602492377697
Energy: 0.3029142011469337
Energy: 0.3031007858261609
Energy: 0.3028480774372566
Energy: 0.3031255929346233
Energy: 0.012769300220372088

minimum gb energy = -0.306386750345852 eV
minimum distance =  2.48338946062541 Angstroms
sigma value = 1


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

Energy: 1.6136238086969341
Energy: 1.4619835349017287
Energy: 1.4626900562453993
Energy: 1.4615151026092479
Energy: 1.4624768609118266
Energy: 1.3761507247568687
Energy: 1.6636105083992458
Energy: 1.3396624541778397
Energy: 1.4645974370446972
Energy: 1.5800078158438362
Energy: 1.4641677409840808
Energy: 1.4027345506676194
Energy: 1.6665185972676364
Energy: 1.4241486670058046
Energy: 1.3400431996660547
Energy: 1.5950643873635646
Energy: 1.4167625034521758
Energy: 1.420918178623323
Energy: 1.7368569032263275
Energy: 1.3985745972525818
Energy: 1.3029151459263106
Energy: 1.5917594960636816
Energy: 1.4036225866857814
Energy: 1.390511596472663
Energy: 1.6756388048033193
Energy: 1.3938195889899383
Energy: 1.4564006294422536
Energy: 1.4412882424981874
Energy: 1.3306034728993739
Energy: 1.4191410645309772
Energy: 1.6759537728136185
Energy: 1.2976892567906664
Energy: 1.382926946164169
Energy: 1.5813660765583493
Energy: 1.3011371603543291
Energy: 1.2967900511412296
Energy: 1.6749981875895168
Energy: 1.2974891598309743
Energy: 1.297343238767611
Energy: 1.2960562455491296
Energy: 1.29853174884453
Energy: 1.2970704501722408
Energy: 1.6725788035692255
Energy: 1.3906130484730546
Energy: 1.4637437551593049
Energy: 1.5809990294975151
Energy: 1.3064173146884204
Energy: 1.5453548967963784
Energy: 1.6245344225689806
Energy: 1.402822165710598
Energy: 1.3293904462952462
Energy: 1.5006605372803434
Energy: 1.3295217598123388
Energy: 1.476537061973541
Energy: 1.637211136374454
Energy: 1.3308353034007463
Energy: 1.3328668680995284
Energy: 1.45780185836718
Energy: 1.3288549185181153
Energy: 1.276182579169507
Energy: 1.6782521396325594
Energy: 1.2787091845684722
Energy: 1.4502143864077905
Energy: 1.420933738300852
Energy: 1.444004852590451
Energy: 1.4036506151345096
Energy: 1.7814425131073688
Energy: 1.2710762322804212
Energy: 1.2710902365250676
Energy: 1.4485278182992036
Energy: 1.2702794067991081
Energy: 1.2733724982268115
Energy: 1.674808089464859
Energy: 1.2720519602415723
Energy: 1.2710676688819855
Energy: 1.4423404455939204
Energy: 1.2708998185903724
Energy: 1.274081138931233
Energy: 1.67632090374031
Energy: 1.2798327264926799
Energy: 1.4441790560424954
Energy: 1.4639612361865975
Energy: 1.4567878541928352
Energy: 1.2733067075874978
Energy: 1.620902040770522
Energy: 1.4517762295574752
Energy: 1.4341860011617322
Energy: 1.4465771288598364
Energy: 1.4319497961457601
Energy: 1.3021173618558475
Energy: 1.6177851266578303
Energy: 1.4476704632758954
Energy: 1.4392791031851426
Energy: 1.473202925877363
Energy: 1.4477295046233518
Energy: 1.4660755119242233
Energy: 1.667820720761665
Energy: 1.2700606762483864
Energy: 1.537707697952706
Energy: 1.584021480040092
Energy: 1.2984870735961607
Energy: 1.4564751611824724
Energy: 1.787322799791568
Energy: 1.2981903154085113
Energy: 1.2969740703666728
Energy: 1.295388729366943
Energy: 1.296266186374498
Energy: 1.295866663836153
Energy: 1.674194006333722
Energy: 1.3022834414622082
Energy: 1.5373983326987064
Energy: 1.5325691403130435
Energy: 1.297656809869147
Energy: 1.2968180789657329
Energy: 1.673076532463341
Energy: 1.3007242691934233
Energy: 1.5277236472496762
Energy: 1.4429499786102225
Energy: 1.2959189238121647
Energy: 1.4090727800097442
Energy: 1.6775420851846576
Energy: 1.2991896065494735
Energy: 1.2781081492749202
Energy: 1.5929736912494339
Energy: 1.2971498747417953
Energy: 1.2964979939809955
Energy: 1.6648925061168545
Energy: 1.3035488050706137
Energy: 1.2970445673661972
Energy: 1.5816521847771994
Energy: 1.2987341031367068
Energy: 1.4172546793634555
Energy: 1.6170333602007345
Energy: 1.3406581715276937
Energy: 1.4641742677733682
Energy: 1.4618835318946708
Energy: 1.4638611183458978
Energy: 1.4062010184237275

minimum gb energy = 1.2700606762483864 eV
minimum distance =  2.28292065011732 Angstroms
sigma value = 33


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

Energy: 1.6614474902798968
Energy: 1.6199772209140224
Energy: 1.619902555382956
Energy: 1.6201732734039593
Energy: 1.6199792079869775
Energy: 1.3498519480793971
Energy: 1.6574917578418122
Energy: 1.3793223235105192
Energy: 1.5756216506765424
Energy: 1.6589654197588564
Energy: 1.5778928208486533
Energy: 1.3705798997506575
Energy: 1.6721132121844775
Energy: 1.3853540089429046
Energy: 1.438455388572442
Energy: 1.6659233165722167
Energy: 1.3873139073192777
Energy: 1.3739741128793972
Energy: 1.6595271477674602
Energy: 1.447223272935312
Energy: 1.3926234457104014
Energy: 1.642402370034712
Energy: 1.4456005068668834
Energy: 1.4540688623310742
Energy: 1.6591826204581006
Energy: 1.3738726662815877
Energy: 1.5773824837728088
Energy: 1.658698556879394
Energy: 1.5021874188592717
Energy: 1.4553428106491508
Energy: 1.6597476776385134
Energy: 1.302151658979937
Energy: 1.3069853402860185
Energy: 1.660529910077652
Energy: 1.3033466285780029
Energy: 1.3082173796023986
Energy: 1.6590425065426477
Energy: 1.3077650745968001
Energy: 1.3021595794235665
Energy: 1.3176298765321302
Energy: 1.3087383797685568
Energy: 1.3081095179457582
Energy: 1.6694832719575636
Energy: 1.577020348027429
Energy: 1.5769746040370407
Energy: 1.7239817537654825
Energy: 1.3122790038989733
Energy: 1.575206641878165
Energy: 1.6565242423191575
Energy: 1.4473243121643569
Energy: 1.3874849970394445
Energy: 1.3848825224006465
Energy: 1.3909289754380403
Energy: 1.5772521900913408
Energy: 1.6526340596834783
Energy: 1.3900572812615393
Energy: 1.3863968829223685
Energy: 1.678344906052285
Energy: 1.38823071078001
Energy: 1.329256969955726
Energy: 1.6585188672781326
Energy: 1.5773629703112302
Energy: 1.3860123576148196
Energy: 1.658696400188139
Energy: 1.378629161851515
Energy: 1.574880028792811
Energy: 1.6588951934472393
Energy: 1.551798701015088
Energy: 1.5784420124270828
Energy: 1.6626639606035831
Energy: 1.5801889369571567
Energy: 1.546076295774973
Energy: 1.7306873726473266
Energy: 1.5504036274966564
Energy: 1.620680775221324
Energy: 1.6525917218758033
Energy: 1.5508695417062217
Energy: 1.5473307480066532
Energy: 1.6679864093254146
Energy: 1.6708307416691668
Energy: 1.3860815748524429
Energy: 1.659404341555377
Energy: 1.3846849402541321
Energy: 1.669744450780282
Energy: 1.6558324279978973
Energy: 1.314176915320694
Energy: 1.3144010375294055
Energy: 1.6289814530289486
Energy: 1.3202298796917447
Energy: 1.314276323842534
Energy: 1.6694448063084875
Energy: 1.305601964690683
Energy: 1.3145704074367595
Energy: 1.3797584048631282
Energy: 1.3214590498852636
Energy: 1.6995865186742016
Energy: 1.669585905039109
Energy: 1.6578821711446545
Energy: 1.3768797276629945
Energy: 1.6588856910444052
Energy: 1.3210310717090872
Energy: 1.6574420797523186
Energy: 1.6560873729650278
Energy: 1.3133011517307367
Energy: 1.3133857908544968
Energy: 1.3117332813917595
Energy: 1.31644608465114
Energy: 1.3117086083919218
Energy: 1.6560749441461722
Energy: 1.314292225810596
Energy: 1.309512577365175
Energy: 1.7380368573138671
Energy: 1.3172451153124647
Energy: 1.3131892543211976
Energy: 1.670506986249536
Energy: 1.578172640667466
Energy: 1.4524478460342172
Energy: 1.659963108474636
Energy: 1.383805402279313
Energy: 1.573769860644927
Energy: 1.7264432559563012
Energy: 1.6207815679339381
Energy: 1.4591754053415178
Energy: 1.6535124480252055
Energy: 1.5465954956012775
Energy: 1.6213417349185386
Energy: 1.6605903421205621
Energy: 1.5775774620986949
Energy: 1.449980264675076
Energy: 1.6536958042862133
Energy: 1.5789343352955094
Energy: 1.5756481894309462
Energy: 1.6682603474539859
Energy: 1.4365048068143857
Energy: 1.3671918937643064
Energy: 1.65950885555898
Energy: 1.4463313102775803
Energy: 1.5786090756755005
Energy: 1.6553214709012078
Energy: 1.445393154878175
Energy: 1.4526853788013765
Energy: 1.444271919921258
Energy: 1.4458800934786664
Energy: 1.3378611677970131
Energy: 1.6590823420243206
Energy: 1.5040975815954296
Energy: 1.37420034909655
Energy: 1.7370354217752206
Energy: 1.4475932826613334
Energy: 1.5777143200147772
Energy: 1.6595475265981947
Energy: 1.3094863620123478
Energy: 1.308528251710396
Energy: 1.6605717153722888
Energy: 1.3111753877878027
Energy: 1.5769655831567813
Energy: 1.7918314431636733
Energy: 1.3075754584723145
Energy: 1.301983305022099
Energy: 1.547125454749738
Energy: 1.308336886794316
Energy: 1.3064647603223865
Energy: 1.6612531540847466
Energy: 1.3097124990318176
Energy: 1.5750828786950442
Energy: 1.658346389669421
Energy: 1.3115472004725808
Energy: 1.577044748216037
Energy: 1.6671697556824312
Energy: 1.3908595510657065
Energy: 1.5807460035370808
Energy: 1.6572565229277074
Energy: 1.3878038379533044
Energy: 1.3868254111281126
Energy: 1.667700038471714
Energy: 1.4465167053955459
Energy: 1.3289685165665635
Energy: 1.334328711777267
Energy: 1.4459439958733133
Energy: 1.4463881849307916
Energy: 1.669666874013298
Energy: 1.3889387665277309
Energy: 1.5776681098802257
Energy: 1.6585433462430428
Energy: 1.3163384988290874
Energy: 1.3870728686016238
Energy: 1.6566959238932737
Energy: 1.579637098925086
Energy: 1.5783167229423394
Energy: 1.6610811328456818
Energy: 1.5791091381554239
Energy: 1.5913200266456042
Energy: 1.6512248763429234
Energy: 1.5528852109967184
Energy: 1.5772016091441412
Energy: 1.5753145431652236
Energy: 1.5481560542613353
Energy: 1.4627220018599756
Energy: 1.6710618779929431
Energy: 1.385757200636614
Energy: 1.5769933180679132
Energy: 1.6714266348931963
Energy: 1.5772885713792817
Energy: 1.3859480466404281
Energy: 1.6599648107439577
Energy: 1.3221680773370583
Energy: 1.314270296345781
Energy: 1.591052945220593
Energy: 1.3143777209856382
Energy: 1.388713886523684
Energy: 1.6601577688017437
Energy: 1.3202731584653897
Energy: 1.3139294804200077
Energy: 1.6527712143501354
Energy: 1.305275866525447
Energy: 1.3131514800083688
Energy: 1.6605861901832932
Energy: 1.386218153426975
Energy: 1.6339937172395151
Energy: 1.6688671191599884
Energy: 1.6690683873408365
Energy: 1.625198926704862
Energy: 1.659628257946624
Energy: 1.320314777154357
Energy: 1.3138048354091507
Energy: 1.656458627468346
Energy: 1.3046360780942177
Energy: 1.31312404727534
Energy: 1.6585397680189857
Energy: 1.318649274885693
Energy: 1.313890088019003
Energy: 1.639615013151245
Energy: 1.3137421373156861
Energy: 1.391428096503191
Energy: 1.6568431977808795
Energy: 1.3697669295626183
Energy: 1.5778045700235246
Energy: 1.6701480296347129
Energy: 1.5793063143799588
Energy: 1.4575673206856146
Energy: 1.6542030657913875
Energy: 1.5481147624706801
Energy: 1.5435363030658862
Energy: 1.5488877684615363
Energy: 1.5483899690922667
Energy: 1.349368813614643

minimum gb energy = 1.301983305022099 eV
minimum distance =  2.2732322254954 Angstroms
sigma value = 51


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

Energy: 3.3078987180109696
Energy: 1.5210488981889494
Energy: 1.5216057402385232
Energy: 1.5182955492461314
Energy: 1.5219109991723978
Energy: 1.3269893605585137
Energy: 1.7840740426199184
Energy: 1.3011976302026016
Energy: 1.5216795848445388
Energy: 1.785338292517444
Energy: 1.5255347430566701
Energy: 1.5250939605245482
Energy: 1.784712343019752
Energy: 1.5233298403289055
Energy: 1.300721057009452
Energy: 1.7831290839238871
Energy: 1.5258614608129257
Energy: 1.5277083494260293
Energy: 1.783187800846306
Energy: 1.5243808141411948
Energy: 1.5219293281129656
Energy: 1.5704466319615336
Energy: 1.524491004400101
Energy: 1.525630015868428
Energy: 1.7845918957294307
Energy: 1.524714249188184
Energy: 1.5234159860451417
Energy: 1.784119424303198
Energy: 1.2969040388462718
Energy: 1.52526369311273
Energy: 1.7851176273958356
Energy: 1.307955001077194
Energy: 1.5208560009432142
Energy: 1.7846667528306137
Energy: 1.313103237222935
Energy: 1.318557953338366
Energy: 1.785459732282946
Energy: 1.3120248533042718
Energy: 1.3076441851508955
Energy: 1.3222630610282409
Energy: 1.3181006690036732
Energy: 1.3180332192172377
Energy: 1.7860755453542176
Energy: 1.5241914316896663
Energy: 1.5212666824483054
Energy: 1.784209220343216
Energy: 1.311531975012991
Energy: 1.5207835761853745
Energy: 1.6410179823193511
Energy: 1.5200068765009769
Energy: 1.5186565974136226
Energy: 1.5202077009760264
Energy: 1.5178974790741575
Energy: 1.6391168547139026
Energy: 1.6431509485765954
Energy: 1.525450883129705
Energy: 1.5243881392978729
Energy: 1.7855164210759644
Energy: 1.5226943685850933
Energy: 1.3246678551401938
Energy: 1.788004725584559
Energy: 1.523007427303145
Energy: 1.5257247439739186
Energy: 1.786254614467469
Energy: 1.5261469481811105
Energy: 1.526151516614269
Energy: 1.7853032655530363
Energy: 1.5229917486067877
Energy: 1.518722606472901
Energy: 1.5703339246557906
Energy: 1.525805300595212
Energy: 1.521196698432498
Energy: 1.7841996562238525
Energy: 1.5214912978547632
Energy: 1.519251822203172
Energy: 1.5688172274509806
Energy: 1.525305388256475
Energy: 1.5228593727440425
Energy: 1.7871710247873476
Energy: 1.519820261459591
Energy: 1.5265763482018782
Energy: 1.7856455355237293
Energy: 1.5259187663790232
Energy: 1.5188709322380285
Energy: 1.7847655501568953
Energy: 1.3164836056039302
Energy: 1.3188308766042056
Energy: 1.6970284074184472
Energy: 1.318414903582523
Energy: 1.3177966280833742
Energy: 1.7845671159355998
Energy: 1.3083920894211243
Energy: 1.3180367883050597
Energy: 1.3247332370840001
Energy: 1.3086877593522765
Energy: 1.5229459470080633
Energy: 1.7845526130305707
Energy: 1.5254522573544824
Energy: 1.5201445149516122
Energy: 1.785943378977854
Energy: 1.520218346564115
Energy: 1.5266878959482846
Energy: 1.6426709179808472
Energy: 1.5190573951672643
Energy: 1.5222528780836813
Energy: 1.5233712661598513
Energy: 1.5245906477042521
Energy: 1.3280877228560846

minimum gb energy = 1.2969040388462718 eV
minimum distance =  2.27905018286697 Angstroms
sigma value = 19


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

Energy: 1.8354818940443232
Energy: 1.786794115789855
Energy: 1.7873214739519896
Energy: 1.7509354902519874
Energy: 1.7871657680716873
Energy: 1.7102425713549638
Energy: 1.84962006036411
Energy: 1.5184753504376356
Energy: 1.7860147447253407
Energy: 1.8301388471627609
Energy: 1.6816354270164162
Energy: 1.5215394775882902
Energy: 1.8495566032108957
Energy: 1.5294746834810158
Energy: 1.5324398046608594
Energy: 1.8300312538148646
Energy: 1.520629269215026
Energy: 1.5210153449138453
Energy: 1.8493361217366997
Energy: 1.5190666078160509
Energy: 1.5191183976868117
Energy: 1.669323225444512
Energy: 1.5191014294284084
Energy: 1.5103475468015513
Energy: 1.8497057511023165
Energy: 1.5179128220420905
Energy: 1.6754750280738737
Energy: 1.8301617480370118
Energy: 1.5408515107935956
Energy: 1.5197977048388094
Energy: 1.8486869239454857
Energy: 1.5084664439115771
Energy: 1.6756367403769123
Energy: 1.8300087508892724
Energy: 1.2940209618497884
Energy: 1.5032667970797684
Energy: 1.8491039297235554
Energy: 1.511395916618293
Energy: 1.3366308914408396
Energy: 1.3183095599191719
Energy: 1.5119360487346456
Energy: 1.5184332099365236
Energy: 1.8505069083940586
Energy: 1.5177965696128894
Energy: 1.681256606168321
Energy: 1.8303876707222855
Energy: 1.2953449722044605
Energy: 1.5198235211924296
Energy: 1.8210505680320332
Energy: 1.6570145792465183
Energy: 1.7539724651602198
Energy: 1.8306469970117656
Energy: 1.7551437253882982
Energy: 1.5086436745666865
Energy: 1.8411413433125299
Energy: 1.7529728437436531
Energy: 1.788425101983152
Energy: 1.7871672306737916
Energy: 1.7886954199169076
Energy: 1.5587653912227133
Energy: 1.8497454864267893
Energy: 1.5141872868852937
Energy: 1.7482247945082592
Energy: 1.7508325849910527
Energy: 1.6758637115356918
Energy: 1.517289684237903
Energy: 1.8500211939455933
Energy: 1.2919022573902528
Energy: 1.2926635341255204
Energy: 1.6476685811556773
Energy: 1.295931361300202
Energy: 1.5041794601708136
Energy: 1.8256637463298866
Energy: 1.2865368680362894
Energy: 1.2505462855149394
Energy: 1.6501090947144588
Energy: 1.3054174660971551
Energy: 1.2900168340616396
Energy: 1.8495313715485757
Energy: 1.306107391801526
Energy: 1.5276049931618623
Energy: 1.8500799921076745
Energy: 1.520702890804257
Energy: 1.677485470238439
Energy: 1.832368066670577
Energy: 1.750900431555049
Energy: 1.522402149649758
Energy: 1.8247598396434785
Energy: 1.6830012241203867
Energy: 1.7506658261539825
Energy: 1.8492766748696292
Energy: 1.7897248832137866
Energy: 1.7119986733038786
Energy: 1.8193465703505356
Energy: 1.7536642188101772
Energy: 1.7899581531062934
Energy: 1.8278832754946286
Energy: 1.6828803417312899
Energy: 1.5292024895433076
Energy: 1.839169931800317
Energy: 1.5254837942806228
Energy: 1.785938023817565
Energy: 1.8403549911277832
Energy: 1.5204402058605149
Energy: 1.5182835083659594
Energy: 1.8501259004800659
Energy: 1.5123271834824856
Energy: 1.5169415768147765
Energy: 1.8401368088703702
Energy: 1.5199118560444884
Energy: 1.5283002490513273
Energy: 1.5205454819890407
Energy: 1.520731247455772
Energy: 1.5426135502006428
Energy: 1.8278025406151643
Energy: 1.678958746701844
Energy: 1.5183132111022486
Energy: 1.849352251039856
Energy: 1.2759476696802003
Energy: 1.6812101436128997
Energy: 1.8231819983006894
Energy: 1.5167326829473473
Energy: 1.5003424946981367
Energy: 1.5174617509190613
Energy: 1.500594343760863
Energy: 1.6495644148989872
Energy: 1.8271552776812299
Energy: 1.5084892674385064
Energy: 1.5186746296949618
Energy: 1.8499189600594024
Energy: 1.5107001957805768
Energy: 1.3181106712037662
Energy: 1.8298798542743788
Energy: 1.6819998409272072
Energy: 1.5208966373893904
Energy: 1.8501306611244959
Energy: 1.5157395787845396
Energy: 1.7533075644172769
Energy: 1.8500088037831373
Energy: 1.7516022811557794
Energy: 1.5577127753745796
Energy: 1.8224651006071724
Energy: 1.7532281506290885
Energy: 1.7512558899777313
Energy: 1.947855067985086
Energy: 1.7521919630815852
Energy: 1.278176515963099
Energy: 1.821274976241862
Energy: 1.6564527031572382
Energy: 1.7558418749612636
Energy: 1.8498530494603163
Energy: 1.5136456613757114
Energy: 1.5176305822041396
Energy: 1.849978191915015
Energy: 1.5206810528760377
Energy: 1.7519385150282327
Energy: 1.8495137588055577
Energy: 1.2778758634676881
Energy: 1.2880193492492766
Energy: 1.8490996943227256
Energy: 1.2768741422858707
Energy: 1.2897866474528707
Energy: 1.8497661322061825
Energy: 1.2886729014669251
Energy: 1.2947912650346405
Energy: 1.3157771536872878
Energy: 1.292821314048887
Energy: 1.5211296175063123
Energy: 1.8493421281978542
Energy: 1.5285126882912763
Energy: 1.6778006429103764
Energy: 1.8496945068500366
Energy: 1.6782854203272108
Energy: 1.5149534683440222
Energy: 1.817971344447187
Energy: 1.6604433602717334
Energy: 1.753265237726135
Energy: 1.7866541410270673
Energy: 1.7518452146675334
Energy: 1.710795685921921

minimum gb energy = 1.2505462855149394 eV
minimum distance =  2.25934394134432 Angstroms
sigma value = 27


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

Energy: 2.3909726876443567
Energy: 1.5328653779318018
Energy: 1.5352453098261738
Energy: 1.8317643897930902
Energy: 1.534810220980476
Energy: 1.1306725545139267
Energy: 1.8302867215550973
Energy: 1.0233701631425798
Energy: 1.532511572053867
Energy: 1.8281976811717764
Energy: 1.0276988031653007
Energy: 1.5403609228091184
Energy: 1.8332266744281425
Energy: 1.5434695767779574
Energy: 1.0396271632784075
Energy: 1.8307396822173196
Energy: 1.0266799506052238
Energy: 1.5428444381310495
Energy: 1.9362174033854986
Energy: 1.5350201473675094
Energy: 1.5342956491905755
Energy: 1.5339385641399743
Energy: 1.5349408845290824
Energy: 1.5327043222660803
Energy: 1.8315044359446429
Energy: 1.017239769534271
Energy: 1.0572539666375675
Energy: 1.8309321676320849
Energy: 1.0461452976453671
Energy: 1.530687904157623
Energy: 1.8343782572209697
Energy: 1.5291019916666932
Energy: 1.0578063070097803
Energy: 1.8319798784572319
Energy: 1.0643524385593963
Energy: 1.532708757336156
Energy: 1.8317743231092423
Energy: 1.5323066920485264
Energy: 1.1306640511277937
Energy: 1.0987375977384797
Energy: 1.5329733861024448
Energy: 1.5319911903492551
Energy: 1.827876087287774
Energy: 1.5340004559776124
Energy: 1.0286596485511634
Energy: 1.8320894825469296
Energy: 1.0690260750621654
Energy: 1.5349056285527887
Energy: 1.8307634608087526
Energy: 1.0401184241317045
Energy: 1.5425454823446654
Energy: 1.8340321062519036
Energy: 1.5434083502875346
Energy: 1.0007364606507712
Energy: 1.9368275977931333
Energy: 1.5339293424044085
Energy: 1.5337086130395656
Energy: 1.5332752149679658
Energy: 1.535229935756436
Energy: 1.5406347042992175
Energy: 1.8310913994740354
Energy: 1.0281039994638512
Energy: 1.5361490968041642
Energy: 1.83179781357581
Energy: 1.0521628300583281
Energy: 1.0613177497116375
Energy: 1.8304916818607078
Energy: 1.0619256871115603
Energy: 1.5336348904362942
Energy: 1.835360945371944
Energy: 1.0599372145985841
Energy: 1.0667339354563234

minimum gb energy = 1.0007364606507712 eV
minimum distance =  2.29073527795554 Angstroms
sigma value = 9


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

Energy: 1.968657522130447
Energy: 1.8209424227820903
Energy: 1.820781248925884
Energy: 1.8279859529491007
Energy: 1.8206337647944448
Energy: 1.6839559400286939
Energy: 1.8300456565785828
Energy: 1.4509869335762364
Energy: 1.8250783989212624
Energy: 1.8300620947780744
Energy: 1.644136714581625
Energy: 1.4509391745143077
Energy: 1.8279567258943432
Energy: 1.4452766527938306
Energy: 1.445739416672427
Energy: 1.9212115591188903
Energy: 1.4468950016948081
Energy: 1.6451214544531838
Energy: 1.827234202445031
Energy: 1.442756979006385
Energy: 1.4443548640334507
Energy: 1.8271088386791294
Energy: 1.4433692293549851
Energy: 1.4414806239518192
Energy: 1.9210652908476447
Energy: 1.4456668694622528
Energy: 1.44505349415913
Energy: 1.829435834861324
Energy: 1.4457540410532819
Energy: 1.442257934719373
Energy: 1.8295600544324324
Energy: 1.8243561817715255
Energy: 1.4511032087603943
Energy: 1.8308903934735452
Energy: 1.4435901849851915
Energy: 1.825298034300776
Energy: 1.830933518691154
Energy: 1.820585753045755
Energy: 1.7459274568569865
Energy: 1.608039753045233
Energy: 1.8205768147066903
Energy: 1.820834023787909
Energy: 1.8251899944111787
Energy: 1.82385897712411
Energy: 1.4510420106060207
Energy: 1.8309061605978592
Energy: 1.452800116494456
Energy: 1.8248149741309114
Energy: 1.8275377373906252
Energy: 1.558558433935225
Energy: 1.5671540020920272
Energy: 1.8378457347318478
Energy: 1.4460399662829329
Energy: 1.5506743258874578
Energy: 1.8336280419843332
Energy: 1.5567938852584795
Energy: 1.5551573488632504
Energy: 1.8462549914427235
Energy: 1.5542631864834306
Energy: 1.5467415793108141
Energy: 1.8236282962445267
Energy: 1.5632175712810188
Energy: 1.5697318403473888
Energy: 1.9459051353316599
Energy: 1.5612785993977363
Energy: 1.5494695080128358
Energy: 1.8249661120686576
Energy: 1.560559041873338
Energy: 1.7426776289421888
Energy: 1.8291843660751015
Energy: 1.7380043352017556
Energy: 1.5570826863147376
Energy: 1.9982103985386641
Energy: 1.7331302857412776
Energy: 1.7391791227224929
Energy: 1.8355887863349116
Energy: 1.7333714079702083
Energy: 1.5723122344550884
Energy: 1.8253566870746056
Energy: 1.5634362609086156
Energy: 1.74261722443506
Energy: 1.8339025990245865
Energy: 1.7372046049398977
Energy: 1.5600042250786137
Energy: 1.8258358732615125
Energy: 1.5562738218226302
Energy: 1.7367670520671095
Energy: 1.8357609263261556
Energy: 1.5629475636152919
Energy: 1.663357792734581
Energy: 2.0077337916816034
Energy: 1.7358229821776776
Energy: 1.7379220537916584
Energy: 1.8360925914390969
Energy: 1.7351377693362706
Energy: 1.6668761672809058
Energy: 1.8261525501732208
Energy: 1.5685605044380428
Energy: 1.7380604896820122
Energy: 1.8307645848881269
Energy: 1.7430034403410546
Energy: 1.6723541308923466
Energy: 1.8207166198459779
Energy: 1.567190152716381
Energy: 1.7354379516013372
Energy: 1.922753340652599
Energy: 1.6096366311318766
Energy: 1.5546827573663995
Energy: 1.8299791122135194
Energy: 1.5576015134307504
Energy: 1.5451066694094235
Energy: 1.4712163113476202
Energy: 1.5453268694456466
Energy: 1.5494552200930032
Energy: 1.8324600499638206
Energy: 1.5628107039880303
Energy: 1.563714412397209
Energy: 1.9226034186955854
Energy: 1.5578763499140158
Energy: 1.55445870314806
Energy: 1.8260792459145343
Energy: 1.649726734364307
Energy: 1.4463390839957242
Energy: 1.8260336085852538
Energy: 1.450843310467031
Energy: 1.8222273575120185
Energy: 1.8264429284392072
Energy: 1.8228645307829228
Energy: 1.808420213464122
Energy: 1.8265980556898496
Energy: 1.8230787573854845
Energy: 1.823468817064329
Energy: 1.8319156843096265
Energy: 1.824319428716328
Energy: 1.4434040961168457
Energy: 1.8240562213206164
Energy: 1.651963249179314
Energy: 1.822466149260193
Energy: 1.923035360728683
Energy: 1.4450393106124135
Energy: 1.4461847402636232
Energy: 1.8302431760742808
Energy: 1.4489602039091056
Energy: 1.7946775122014549
Energy: 1.9324704980445861
Energy: 1.4433726653143677
Energy: 1.4443932421056498
Energy: 1.848743262278906
Energy: 1.4442931899008817
Energy: 1.444561500894203
Energy: 1.9228784221252933
Energy: 1.4446456496386921
Energy: 1.4436912050968327
Energy: 1.8281737560960167
Energy: 1.4446336716272312
Energy: 1.6475745557475399
Energy: 1.8304594305830655
Energy: 1.4483465378898217
Energy: 1.8210561174487414
Energy: 1.8693656648260457
Energy: 1.4444801691514573
Energy: 1.653069792000507
Energy: 1.9286288643903813
Energy: 1.7942595318702248
Energy: 1.8227809382750915
Energy: 1.8488529007102872
Energy: 1.8229143939942
Energy: 1.754086341997191
Energy: 1.826200364656722
Energy: 1.451750702416332
Energy: 1.8215646405021686
Energy: 1.842041232611479
Energy: 1.8284106652313385
Energy: 1.5854549387673977
Energy: 1.8338804255755279
Energy: 1.4451363795104135
Energy: 1.5521925710604403
Energy: 1.8280576351679985
Energy: 1.5584818678855594
Energy: 1.7433068582238744
Energy: 2.0066683029539742
Energy: 1.560918529397236
Energy: 1.561092395828823
Energy: 1.553024290912862
Energy: 1.56472715821675
Energy: 1.5666338986136716
Energy: 2.0062537113849057
Energy: 1.553756880043705
Energy: 1.5531733180719975
Energy: 1.8268907459489572
Energy: 1.5570442439583623
Energy: 1.455291715905131
Energy: 1.8282496225695757
Energy: 1.7362913416971204
Energy: 1.5574265769025355
Energy: 1.8234660418223907
Energy: 1.5594302626152605
Energy: 1.7421962792112362
Energy: 1.8536311070336873
Energy: 1.735569443535942
Energy: 1.7359616599922048
Energy: 1.8247135197705113
Energy: 1.734904659842729
Energy: 1.742349391348616
Energy: 1.852947923517914
Energy: 1.7422861611379845
Energy: 1.5561714362182275
Energy: 1.845943515029028
Energy: 1.7446444336290157
Energy: 1.748827766621038
Energy: 1.836285816042333
Energy: 1.6617278759871452
Energy: 1.4479254946830598
Energy: 1.8201025788579859
Energy: 1.4448023164055714
Energy: 1.7299537147851414
Energy: 1.8520501477462288
Energy: 1.749328552937229
Energy: 1.5569701070892938
Energy: 1.8255910206011292
Energy: 1.7348368250007138
Energy: 1.753787378783259
Energy: 1.8522255520524415
Energy: 1.7354352364825187
Energy: 1.6631052083288933
Energy: 2.0092494946017525
Energy: 1.7341108154202527
Energy: 1.7374535084693683
Energy: 1.8500343391106635
Energy: 1.7363465489170524
Energy: 1.5604653388257737
Energy: 1.8247780783109657
Energy: 1.5619850727719855
Energy: 1.7384734576109848
Energy: 1.931796379352654
Energy: 1.553569975377027
Energy: 1.5506337215760575
Energy: 1.825926435077997
Energy: 1.559992322858404
Energy: 1.5540239524152817
Energy: 1.9240294033639622
Energy: 1.5546193990406667
Energy: 1.5609843051824408
Energy: 1.550131783711551
Energy: 1.566612535397281
Energy: 1.567363681484077
Energy: 1.8565416638061694
Energy: 1.447905502715254
Energy: 1.5568768143801242
Energy: 1.828075861278867
Energy: 1.5589495436191783
Energy: 1.7392153701927264
Energy: 1.8236919779031748
Energy: 1.4462286759852894
Energy: 1.825956548090952
Energy: 1.8462147571890655
Energy: 1.8219190100310572
Energy: 1.4635520392611352

minimum gb energy = 1.4414806239518192 eV
minimum distance =  2.26286747948505 Angstroms
sigma value = 57


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

Energy: 3.262724774948463
Energy: 1.5965371974463711
Energy: 1.5970563591082196
Energy: 1.6432613219469747
Energy: 1.5965347904338258
Energy: 1.5108901291055123
Energy: 1.6476521257020313
Energy: 1.51257706008399
Energy: 1.6078127498208423
Energy: 1.6722630846253435
Energy: 1.4930693181526549
Energy: 1.4868279805008073
Energy: 1.670005635413146
Energy: 1.510186740636372
Energy: 1.510027498672754
Energy: 1.6468695151820005
Energy: 1.5086742233539117
Energy: 1.4867829808702704
Energy: 1.6400024493467162
Energy: 1.5068220618042265
Energy: 1.5081720049804241
Energy: 1.6436485669561682
Energy: 1.5069817324670274
Energy: 1.5102875714318464
Energy: 1.6379611817941457
Energy: 1.5103395705661866
Energy: 1.4901081950193207
Energy: 1.6688279523963865
Energy: 1.5084248315398943
Energy: 1.5909940334865835
Energy: 1.6706831754537559
Energy: 1.6091115817982165
Energy: 1.508281235226085
Energy: 1.646074247008034
Energy: 1.495718117177738
Energy: 1.6152172999702858
Energy: 1.6426478172971162
Energy: 1.5963993134859311
Energy: 1.5958629144225183
Energy: 1.685823710095353
Energy: 1.5976262048016427
Energy: 1.6019901870811502
Energy: 1.6489629975948412
Energy: 1.604259155375125
Energy: 1.4942560400614828
Energy: 1.6017257636608977
Energy: 1.494762480590143
Energy: 1.5887165796294829
Energy: 1.644927907378816
Energy: 1.4891456001462378
Energy: 1.4905138687284243
Energy: 1.668634794128187
Energy: 1.4900712913997367
Energy: 1.5921071086562788
Energy: 1.6455254893768783
Energy: 1.5996828215371484
Energy: 1.5180014221667129
Energy: 1.6371339254149246
Energy: 1.46944475141835
Energy: 1.5975192869997061
Energy: 1.6459624557840418
Energy: 1.5914705734658676
Energy: 1.4994142986773158
Energy: 1.6380414916314896
Energy: 1.5026682270824716
Energy: 1.5991910373710103
Energy: 1.648354428280626
Energy: 1.4891655735211042
Energy: 1.5024129205195995
Energy: 1.672428166120909
Energy: 1.5122009473279174
Energy: 1.4842989726040428
Energy: 1.6458699510163273
Energy: 1.5100118954906303
Energy: 1.5107958778007888
Energy: 1.5978332563577897
Energy: 1.5106216523452067
Energy: 1.5105373409907847
Energy: 1.645154620295936
Energy: 1.5092219688079884
Energy: 1.5088497835759327
Energy: 1.6385721376978226
Energy: 1.5086988619576887
Energy: 1.4852690959430626
Energy: 1.669714109480047
Energy: 1.5103420869139086
Energy: 1.5951651656833348
Energy: 1.6709352546176612
Energy: 1.4858566235160695
Energy: 1.494717009073698
Energy: 1.6357459739150206
Energy: 1.4743149493197942
Energy: 1.5957210343067856
Energy: 1.6456124935809693
Energy: 1.59574041130685
Energy: 1.5736489012251036
Energy: 1.6356286472724786
Energy: 1.499169332598164
Energy: 1.6030996852376236
Energy: 1.6475745553803047
Energy: 1.593618578738009
Energy: 1.4990451663467217
Energy: 1.6702103649112359
Energy: 1.4868791477979082
Energy: 1.5869125988542703
Energy: 1.6434795544148562
Energy: 1.4878693967768553
Energy: 1.5013810613044174
Energy: 1.6368087423636553
Energy: 1.5000826457793626
Energy: 1.6223462788935648
Energy: 1.6457892244683887
Energy: 1.6147365221978585
Energy: 1.4896795240280958

minimum gb energy = 1.46944475141835 eV
minimum distance =  2.26105732918495 Angstroms
sigma value = 11


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

Energy: 1.4006437677075965
Energy: 1.4406186899787512
Energy: 1.440852995074958
Energy: 1.4192899623612207
Energy: 1.4404018660022713
Energy: 1.4436914803751952
Energy: 1.4277838340686997
Energy: 1.5116220082477378
Energy: 1.4580322801615093
Energy: 1.4114120875609035
Energy: 1.4501493821056075
Energy: 1.5090770073052469
Energy: 1.4268452281368034
Energy: 1.5087990324401483
Energy: 1.4843016203755173
Energy: 1.4204334637090077
Energy: 1.4875110877787128
Energy: 1.4944428806155539
Energy: 1.4140977299221418
Energy: 1.4809768915859016
Energy: 1.483968812839127
Energy: 1.4195927503646384
Energy: 1.4859158091813844
Energy: 1.5209924784554396
Energy: 1.404584289807239
Energy: 1.4856446509856087
Energy: 1.4872510476504632
Energy: 1.4216857786906438
Energy: 1.4886500851692828
Energy: 1.4501301993974196
Energy: 1.4106582508168737
Energy: 1.501520158046594
Energy: 1.4839188018651848
Energy: 1.4170718931588564
Energy: 1.4908031382092113
Energy: 1.4907302159006075
Energy: 1.4224622470622206
Energy: 1.4832139920640066
Energy: 1.476712959030107
Energy: 1.453642811530938
Energy: 1.4766136598576252
Energy: 1.445286183768455
Energy: 1.419184187069203
Energy: 1.4996006072769947
Energy: 1.486165121350376
Energy: 1.430367572775235
Energy: 1.4902974238677225
Energy: 1.509247575710508
Energy: 1.426024067555114
Energy: 1.4446809373674239
Energy: 1.5089063708400723
Energy: 1.425662869471207
Energy: 1.479048449426614
Energy: 1.4454569952152907
Energy: 1.42270561829432
Energy: 1.4423862740470097
Energy: 1.4441120081776804
Energy: 1.5091497072616438
Energy: 1.44349005600101
Energy: 1.449585785274852
Energy: 1.4158397840353953
Energy: 1.4458236946752638
Energy: 1.457269521117089
Energy: 1.4478718578817316
Energy: 1.4487681047333116
Energy: 1.4469472773780172
Energy: 1.4201995209942413
Energy: 1.4422464009021405
Energy: 1.5084899468250406
Energy: 1.4259321140825099
Energy: 1.435464242691341
Energy: 1.423346076384846
Energy: 1.4233440147598844
Energy: 1.4526228084579151
Energy: 1.4935008762611377
Energy: 1.4122368331571429
Energy: 1.4556840353447649
Energy: 1.423523758723948
Energy: 1.4203628464463984
Energy: 1.4423019007317737
Energy: 1.4452507517610578
Energy: 1.3902553611880404
Energy: 1.4345580756348455
Energy: 1.4214016935083458
Energy: 1.424058930791191
Energy: 1.4416443111138904
Energy: 1.5094479639993355
Energy: 1.4221987088754264
Energy: 1.4805887839100509
Energy: 1.445782869042756
Energy: 1.425993247203196
Energy: 1.4904438445205035
Energy: 1.5119604030815967
Energy: 1.4284763306485957
Energy: 1.4837139601143177
Energy: 1.4812319218634336
Energy: 1.4212064680089815
Energy: 1.4840699912424877
Energy: 1.5174321525724233
Energy: 1.4175460610187036
Energy: 1.4778037924137057
Energy: 1.437976606929967
Energy: 1.4188453453787746
Energy: 1.4943480118852726
Energy: 1.4835169357278801
Energy: 1.4126631110123493
Energy: 1.4933845789382008
Energy: 1.437431359305739
Energy: 1.426097922787991
Energy: 1.4931243518713098
Energy: 1.4875382225217555
Energy: 1.4145940428545434
Energy: 1.4985569422959588
Energy: 1.4817509864762661
Energy: 1.4129749968324725
Energy: 1.477951480879657
Energy: 1.4763104285291015
Energy: 1.4209399593311591
Energy: 1.484489195337931
Energy: 1.4796871073337579
Energy: 1.4294334675167686
Energy: 1.483615745520424
Energy: 1.482041195051861
Energy: 1.4181687054707681
Energy: 1.4948766157035198
Energy: 1.4866043444942996
Energy: 1.427562751946631
Energy: 1.4802767750067025
Energy: 1.4448230031450702
Energy: 1.4181254729339419
Energy: 1.4476411465999177
Energy: 1.5091761760987106
Energy: 1.3996774837174852
Energy: 1.4360463864591808
Energy: 1.4440225818237309
Energy: 1.4219771647831598
Energy: 1.441848130669698
Energy: 1.5070025627978676
Energy: 1.4090536325675844
Energy: 1.4566972473127748
Energy: 1.4497987566677
Energy: 1.4209726037752863
Energy: 1.4529444005276198
Energy: 1.5114269113182788
Energy: 1.4283263856572535
Energy: 1.4790718401780165
Energy: 1.4443832428046781
Energy: 1.4207213181471783
Energy: 1.4367217009273838
Energy: 1.5078063194576925
Energy: 1.4148924411708308
Energy: 1.4549491912545462
Energy: 1.4449600991364864
Energy: 1.4219748273055
Energy: 1.4459095826761978
Energy: 1.5090979137697496

minimum gb energy = 1.3902553611880404 eV
minimum distance =  2.21992692386757 Angstroms
sigma value = 41


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

Energy: 1.1928077936365484
Energy: 1.2674918094416296
Energy: 1.2706181639538356
Energy: 1.238719425285427
Energy: 1.2666988631746914
Energy: 1.4017609091033763
Energy: 1.2400258893326737
Energy: 1.367280712518488
Energy: 1.2903860118945663
Energy: 1.2398781698921535
Energy: 1.270894868496459
Energy: 1.368203382029465
Energy: 1.232120328441048
Energy: 1.363811261452703
Energy: 1.3246730418339578
Energy: 1.2389317935713924
Energy: 1.3350439064783344
Energy: 1.3759526265435
Energy: 1.215341237745262
Energy: 1.3409379151883252
Energy: 1.3230085580353423
Energy: 1.2390781128918664
Energy: 1.3316107330746458
Energy: 1.3922050527112286
Energy: 1.2160210207132964
Energy: 1.3510986474287587
Energy: 1.3283556638036205
Energy: 1.2385658811149658
Energy: 1.335486391257604
Energy: 1.400014509517806
Energy: 1.2291756760269286
Energy: 1.3759088271454356
Energy: 1.336569003211555
Energy: 1.2514291673904283
Energy: 1.396445150732151
Energy: 1.372336672814361
Energy: 1.2519582343533764
Energy: 1.3766114768600335
Energy: 1.3753825035171707
Energy: 1.3733613329984948
Energy: 1.3751418018430588
Energy: 1.335476199548392
Energy: 1.2366608825741314
Energy: 1.375032440564735
Energy: 1.3737301273021512
Energy: 1.2516644246931887
Energy: 1.3756357896428395
Energy: 1.3887935139350052
Energy: 1.237249178045861
Energy: 1.3442792837832767
Energy: 1.376100638037559
Energy: 1.2795972946210563
Energy: 1.3780111151073144
Energy: 1.3509466436318835
Energy: 1.2392844228001594
Energy: 1.327356526186931
Energy: 1.3412349292170154
Energy: 1.3337133607252887
Energy: 1.3338280021585875
Energy: 1.2696221603425017
Energy: 1.2393332465747382
Energy: 1.3288451072794139
Energy: 1.3554351767939008
Energy: 1.3349605666962587
Energy: 1.3501912496135933
Energy: 1.3296815460530587
Energy: 1.2383082895131374
Energy: 1.3295526655434071
Energy: 1.3800582286125984
Energy: 1.3354338557262388
Energy: 1.334101406878951
Energy: 1.270804056339725
Energy: 1.2434709764413499
Energy: 1.272581334408211
Energy: 1.3285345888147104
Energy: 1.3400993590943968
Energy: 1.271971140881935
Energy: 1.2710389211325004
Energy: 1.237541851996347
Energy: 1.270849340342871
Energy: 1.2727233366034334
Energy: 1.3735296193035693
Energy: 1.2708120007441628
Energy: 1.2395312436900183
Energy: 1.2363319966732496
Energy: 1.2713257002728728
Energy: 1.3664311681922612
Energy: 1.371421541119097
Energy: 1.289570212404875
Energy: 1.270900322319953
Energy: 1.238357858361496
Energy: 1.2693844280023372
Energy: 1.3293500723751335
Energy: 1.3678540025002195
Energy: 1.2395635817416113
Energy: 1.2388688504877192
Energy: 1.2375544788510178
Energy: 1.2695271778960442
Energy: 1.2263450928525268
Energy: 1.4237169035999921
Energy: 1.271647728968173
Energy: 1.238624444329197
Energy: 1.2382014597540327
Energy: 1.2724354270417189
Energy: 1.3529982448217681
Energy: 1.3773498925950112
Energy: 1.3052648737958035
Energy: 1.2705088960993687
Energy: 1.2415298783749236
Energy: 1.2804984779624302
Energy: 1.3816252819936181
Energy: 1.3353640808897012
Energy: 1.3276090873809483
Energy: 1.2714326588703941
Energy: 1.283347713097513
Energy: 1.3423554778252909
Energy: 1.3549202710686348
Energy: 1.338578699964184
Energy: 1.3523640498973841
Energy: 1.333784896509358
Energy: 1.2357049013254857
Energy: 1.3279860527736858
Energy: 1.3883747147431966
Energy: 1.2175219718299968
Energy: 1.3302505987224778
Energy: 1.2814177090412069
Energy: 1.2380539685671303
Energy: 1.3467472016942665
Energy: 1.376290900252686
Energy: 1.3307980874639118
Energy: 1.3787286783099355
Energy: 1.3501648536745505
Energy: 1.2386319479088244
Energy: 1.3756239410533995
Energy: 1.3635923557717335
Energy: 1.240320712300352
Energy: 1.376040751921914
Energy: 1.3766428831274022
Energy: 1.2514149441455207
Energy: 1.3770589502361847
Energy: 1.3754625833399985
Energy: 1.2360323812691583
Energy: 1.375167581484904
Energy: 1.33473047192523
Energy: 1.239189429401122
Energy: 1.376427820192662
Energy: 1.3358530322038735
Energy: 1.248404204074437
Energy: 1.343564671131367
Energy: 1.3712865926355429
Energy: 1.2242002989881582
Energy: 1.3538205869090638
Energy: 1.3204999827495763
Energy: 1.2421117136350674
Energy: 1.3400670708437723
Energy: 1.3598265330223624
Energy: 1.22150283116747
Energy: 1.3392402653720465
Energy: 1.3305617793355384
Energy: 1.2387778467033794
Energy: 1.3297433604570381
Energy: 1.3463293152187772
Energy: 1.2336612826580127
Energy: 1.33839795161693
Energy: 1.3314150446826096
Energy: 1.2401417213052979
Energy: 1.3381495960873215
Energy: 1.376208293505838
Energy: 1.2362551906814854
Energy: 1.3299031797581
Energy: 1.2870904473819975
Energy: 1.2407056246568533
Energy: 1.2724810759200924
Energy: 1.3676651736025613
Energy: 1.1990319732249952
Energy: 1.2706296595457158
Energy: 1.2666675908627736
Energy: 1.2388369145770532
Energy: 1.26709634654963
Energy: 1.3585618766922616
Energy: 1.2339453016095434
Energy: 1.2708772761496907
Energy: 1.287433059919833
Energy: 1.236194025042673
Energy: 1.2887466253422508
Energy: 1.369534703870324
Energy: 1.2330766209988373
Energy: 1.3359118337999978
Energy: 1.239001251932247
Energy: 1.2380228083775866
Energy: 1.283560851403781
Energy: 1.3659353090730846
Energy: 1.1877243003499136
Energy: 1.2772344524552945
Energy: 1.238547554122619
Energy: 1.238131166800314
Energy: 1.2710384614779147
Energy: 1.2286270009704767

minimum gb energy = 1.1877243003499136 eV
minimum distance =  2.25343133662743 Angstroms
sigma value = 33


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

Energy: 1.311196210506277
Energy: 1.0429559619782234
Energy: 1.0077718534770994
Energy: 1.0145486780051398
Energy: 1.0420201241782263
Energy: 1.1678323756859994
Energy: 0.9961304682364839
Energy: 1.106047109036224
Energy: 0.9989088360380528
Energy: 1.0195620318899303
Energy: 1.005987097168554
Energy: 1.166982245764239
Energy: 1.0076697115686788
Energy: 1.1024250529798612
Energy: 1.006189701406693
Energy: 1.1690007543221812
Energy: 1.0058286938666894
Energy: 1.1658106352485818
Energy: 0.9831826351569342
Energy: 1.005927951249926
Energy: 1.0066246443500373
Energy: 1.0100285101721762
Energy: 1.044106800721047
Energy: 1.1846369788702358
Energy: 0.9826394748463547
Energy: 1.0064282258946322
Energy: 1.0071698682119705
Energy: 1.0025620899407977
Energy: 1.0445578868840197
Energy: 1.1822866673855579
Energy: 1.0062894052805773
Energy: 1.1751139930485566
Energy: 1.1051666999848926
Energy: 1.0359093372472095
Energy: 1.1054399696515598
Energy: 1.1812075974343423
Energy: 0.9997791792186345
Energy: 1.177202342046596
Energy: 1.1850293608709848
Energy: 1.1031383579541538
Energy: 1.1843639324757138
Energy: 1.1764888951855332
Energy: 1.0114152565522276
Energy: 1.1639661043212637
Energy: 1.1652277590003512
Energy: 1.1192320728856138
Energy: 1.1614844918109108
Energy: 1.1777094823022076
Energy: 1.0056816398630661
Energy: 1.1749401524524647
Energy: 1.1795665337148313
Energy: 1.2559095946217638
Energy: 1.1810571398771532
Energy: 1.175125682960897
Energy: 1.013784199266575
Energy: 1.1759406763501228
Energy: 1.1846255084658122
Energy: 1.1492668146955396
Energy: 1.186588532004761
Energy: 1.1760404268835734
Energy: 1.0046922290899483
Energy: 1.1838844967119688
Energy: 1.178097641826176
Energy: 1.151693139360571
Energy: 1.183502788571069
Energy: 1.1834963527447404
Energy: 1.0054345359243313
Energy: 1.1804112414798968
Energy: 1.1844405967263094
Energy: 1.1189985340351705
Energy: 1.1870742778685084
Energy: 1.1778029847665359
Energy: 0.9906846147988945
Energy: 1.1895461436218717
Energy: 1.1777927133119468
Energy: 1.175065298629137
Energy: 1.1797710181735614
Energy: 1.1002583636770884
Energy: 1.0034853997820807
Energy: 1.1030090034354043
Energy: 1.1688724482818267
Energy: 1.1887473066279945
Energy: 1.1664019110257409
Energy: 1.1030823226620565
Energy: 1.3223100043706697
Energy: 1.1853323786138035
Energy: 1.1757787683847793
Energy: 1.1759226689407272
Energy: 1.1751424556108039
Energy: 1.1843781123929582
Energy: 1.003584292122665
Energy: 1.1109103459439646
Energy: 1.1640586815894511
Energy: 1.1850172443356735
Energy: 1.1050700996307115
Energy: 1.1038027030219817
Energy: 1.0065352440304594
Energy: 1.1165806491307304
Energy: 1.1029683676596231
Energy: 1.1901614014676698
Energy: 1.1176882083645945
Energy: 1.1010766931461453
Energy: 1.1659530528369475
Energy: 1.0445145261155737
Energy: 1.1064355766894451
Energy: 1.1851931510302054
Energy: 1.1072593122051517
Energy: 1.0470658689489991
Energy: 1.1616667095990372
Energy: 1.0037961899322692
Energy: 1.1029377262913476
Energy: 1.1831075511812732
Energy: 1.1042318502013166
Energy: 1.0038243270580844
Energy: 1.012248375396926
Energy: 1.0047665293245585
Energy: 1.1041892794128918
Energy: 1.184595490636021
Energy: 1.0030537406307727
Energy: 1.0015540525062947
Energy: 1.0093327213858472
Energy: 1.0505157388346387
Energy: 0.9995129228952019
Energy: 1.198758523851541
Energy: 1.0433361853880154
Energy: 1.0060916948797953
Energy: 1.0015643196145267
Energy: 1.00521983590535
Energy: 1.1688513360750747
Energy: 1.176431416963114
Energy: 1.0073469259598906
Energy: 1.0031391229140263
Energy: 0.9831884922032494
Energy: 1.0050242116062535
Energy: 1.1048449939024922
Energy: 1.1735366220562224
Energy: 1.0040354618782863
Energy: 0.9927636884282544
Energy: 1.0136314095138697
Energy: 1.042378799891944
Energy: 0.9641801698270864
Energy: 1.1887358420716179
Energy: 1.044314062428764
Energy: 1.0114617395031869
Energy: 1.0147908115603472
Energy: 1.0060305680879842
Energy: 1.1048538798278698
Energy: 1.1861907011570902
Energy: 1.045046946835546
Energy: 0.9983089931573208
Energy: 1.1685960750188304
Energy: 1.0435267104947115
Energy: 1.1668443018592063
Energy: 1.183410093137134
Energy: 1.1041637155676902
Energy: 1.0059567680002628
Energy: 1.1687709437150002
Energy: 1.0068846650779453
Energy: 1.1064465713168061
Energy: 1.190012965818842
Energy: 1.0061315728881837
Energy: 1.0058827748165222
Energy: 1.0009658697742132
Energy: 1.0446100267624816
Energy: 1.0176515150732042
Energy: 1.1921992585409649
Energy: 1.051180168176473
Energy: 1.1256317008944967
Energy: 1.0034752885883602
Energy: 1.1042729751014098
Energy: 1.1768383263758344
Energy: 1.1819460107869004
Energy: 1.1642486417276257
Energy: 1.1043613569047954
Energy: 1.0060839106475774
Energy: 1.1843928813226348
Energy: 1.1759530154752487
Energy: 1.1745374974254086
Energy: 1.1766975584449577
Energy: 1.179873819631445
Energy: 1.0012851143673789
Energy: 1.166637965602274
Energy: 1.1762071995436476
Energy: 1.1936274236279605
Energy: 1.163544487156157
Energy: 1.1030043415166173
Energy: 0.9908792370889234
Energy: 1.185909260510536
Energy: 1.1762540703235247
Energy: 1.1761016576303434
Energy: 1.1767509597821657
Energy: 1.1843290521585732
Energy: 1.0084455229961018
Energy: 1.1843615309763151
Energy: 1.1774453556344977
Energy: 1.1189479147405144
Energy: 1.187907693854113
Energy: 1.180448818546413
Energy: 1.007902505350662
Energy: 1.183104715482859
Energy: 1.1805201694857952
Energy: 1.3503065134410976
Energy: 1.1862020111861125
Energy: 1.1799891397947238
Energy: 1.0130029886312752
Energy: 1.1836400126115894
Energy: 1.1810908756331049
Energy: 1.177599983127598
Energy: 1.1864237163906965
Energy: 1.1774250923339282
Energy: 1.0025960132633376
Energy: 1.1764305640256754
Energy: 1.186091206692974
Energy: 1.256408644428031
Energy: 1.186354688081385
Energy: 1.176243090435599
Energy: 0.986443283292584
Energy: 1.1643552260104693
Energy: 1.102954750121039
Energy: 1.0024084884948892
Energy: 1.1644515768919361
Energy: 1.1865433249425605
Energy: 0.998048174419055
Energy: 1.176064990342257
Energy: 1.179541084492968
Energy: 1.007202606153853
Energy: 1.191589709033135
Energy: 1.1754998940833246
Energy: 1.0066241224029047
Energy: 1.1646955311790204
Energy: 1.1036117294470793
Energy: 1.0053496024110822
Energy: 1.1040074922052328
Energy: 1.1781403419071836
Energy: 0.9895729994558643
Energy: 1.0063224853797796
Energy: 1.1240691531887963
Energy: 1.0063058096462474
Energy: 1.006568204755749
Energy: 1.1937617755588175
Energy: 0.990982705704328
Energy: 1.1124354043437032
Energy: 1.0034376193863799
Energy: 1.0060336515515016
Energy: 1.0054386069736092
Energy: 1.1068722124995813
Energy: 1.007748175465251
Energy: 1.103554716776712
Energy: 1.0038255464597785
Energy: 1.006921194735149
Energy: 1.006249380667452
Energy: 1.1031829169890222
Energy: 0.9976897348786052
Energy: 1.0453497935705989
Energy: 1.0075214940055157
Energy: 1.0159689127575462
Energy: 1.004528506325728
Energy: 1.1672188132546206
Energy: 0.9837765892234442
Energy: 1.043544467772585
Energy: 1.0428542935289526
Energy: 1.0103664713399925
Energy: 1.0433759583064446
Energy: 1.1036049780510762
Energy: 0.9973366876681631
Energy: 1.006666963072156
Energy: 1.007806633529859
Energy: 0.987778791266425
Energy: 1.0044242025742647
Energy: 1.1674798105344097
Energy: 0.9991497527030166
Energy: 1.0067494473583314
Energy: 0.9936275434685407
Energy: 1.0040586989314055
Energy: 1.0087544969926479
Energy: 1.1694076126480806
Energy: 0.9822489976133923
Energy: 1.0455114504673915
Energy: 1.0116956239056236
Energy: 1.0078194998236942
Energy: 1.0444902430562517
Energy: 0.9649687025668061

minimum gb energy = 0.9641801698270864 eV
minimum distance =  2.2722397321504 Angstroms
sigma value = 67


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

Energy: 0.2098204180690841
Energy: -0.3075036891119871
Energy: -0.29408933015549843
Energy: -0.3401151885148513
Energy: -0.29426916933168035
Energy: 0.2086731746060792
Energy: -0.6234142684725195
Energy: -0.33175181307480595
Energy: -0.27985469188047135
Energy: -0.4938508778253951
Energy: -0.336364434289455
Energy: -0.33347706127654786
Energy: -0.5642590408400263
Energy: -0.5478959918588948
Energy: -0.5245460068039518
Energy: -0.5118621299909791
Energy: -0.5370869605817488
Energy: -0.5047258823308458
Energy: 0.20985615134402516
Energy: -0.5248739422379628
Energy: -0.5035218349921586
Energy: -0.5597885210959409
Energy: -0.5288621454027598
Energy: 0.20821146262284052
Energy: 0.20896608488355328
Energy: -0.49287965623858526
Energy: -0.5152148758342558
Energy: -0.5098583534796426
Energy: -0.5367561574046926
Energy: 0.20839301613112035
Energy: -0.38479658646659726
Energy: -0.5218015368527648
Energy: -0.5160900419995291
Energy: -0.33340818381898135
Energy: -0.5154957515091361
Energy: -0.5186841274909577
Energy: 0.035785590248427174
Energy: -0.49401238546167153
Energy: -0.5334018215579326
Energy: -0.4931340644652458
Energy: -0.5394835630693215
Energy: -0.49032283169122093

minimum gb energy = -0.6234142684725195 eV
minimum distance =  2.39896219254523 Angstroms
sigma value = 3


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

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Energy: 1.021773151147296
Energy: 1.0221882845458161
Energy: 1.0388733545564315
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Energy: 1.1605254037505595
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Energy: 0.8637588721037601
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Energy: 1.1894825326066796
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Energy: 1.2134083822545638
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Energy: 1.1999132250455893
Energy: 1.0389805471851423
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Energy: 0.9469444659863995
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Energy: 1.2013978571547046
Energy: 1.2168483676970596
Energy: 1.2063537926269732
Energy: 1.201287588779044
Energy: 0.9463158499519758
Energy: 1.2025321226014627
Energy: 1.200669401435806
Energy: 1.2055365073402595
Energy: 1.2076639671958007
Energy: 1.2016734642433067
Energy: 1.2151046979893814
Energy: 1.2046022006657708
Energy: 1.2018246218335864
Energy: 1.1986707008540531
Energy: 1.2019206051738518
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Energy: 1.027275044520893
Energy: 1.1987028312375145
Energy: 1.2040758300895142
Energy: 1.180894016426384
Energy: 1.2036019102992233
Energy: 1.2033205412716086
Energy: -1.2185036511631115
Energy: 1.203079863631639
Energy: 1.2069466898851002
Energy: 1.0525671386658308
Energy: 1.2086238793891755
Energy: 1.21201441378928
Energy: 1.0263488239157292
Energy: 1.1982970710685845
Energy: 1.1864379767551136
Energy: 1.0452521193311684
Energy: 1.1852855745327027
Energy: 1.198276821106716
Energy: 1.040656719605989
Energy: 1.1783885735765978
Energy: 1.1830434259046885
Energy: 1.0269769135588547
Energy: 1.1793649174193197
Energy: 1.1979649411682312
Energy: 0.9420565986064416
Energy: 1.178087689924916
Energy: 1.1812461399759175
Energy: 1.03484164305704
Energy: 1.1779567732404717
Energy: 1.1847886794791336
Energy: 0.9419957823163555
Energy: 1.1773803786812898
Energy: 1.0431664917206267
Energy: 1.030730676690529
Energy: 1.1785431272365592
Energy: 1.1837932717604698
Energy: 1.0503888120921925
Energy: 1.1834278766794104
Energy: 1.016246962254885
Energy: 0.8605106673340018
Energy: 1.0168519096510213
Energy: 1.1800303215679686
Energy: 0.940902711023162
Energy: 1.1004824505022155
Energy: 1.016456786046941
Energy: 0.8600303527930643
Energy: 1.015742950678572
Energy: 1.1826987645310238

minimum gb energy = -1.2185036511631115 eV
minimum distance =  2.27769453415045 Angstroms
sigma value = 81


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

Energy: 1.1084739435258937
Energy: 0.9728318676811716
Energy: 0.9876722762507831
Energy: 0.9830173683278706
Energy: 1.217536914290137
Energy: 1.4534029994927327
Energy: -0.078941801144881
Energy: 1.3107377338364743
Energy: 0.9732319794301869
Energy: 0.9849473180257091
Energy: 0.982087795016999
Energy: 1.436367486326578
Energy: 0.17204268584678567
Energy: 1.4083409985058377
Energy: 0.9793398778272009
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Energy: 0.9797995090262834
Energy: 1.4384107323803572
Energy: 1.1253245434679504
Energy: 1.211101995531648
Energy: 0.9798497046855412
Energy: 0.9794941549615963
Energy: 1.0960635872488922
Energy: 1.4204042158516552
Energy: 1.1259103260599792
Energy: 1.2103581158849626
Energy: 1.2103327980098941
Energy: 0.9846860492495478
Energy: 1.2102471853519667
Energy: 1.418633643276547
Energy: 0.13255995203292198
Energy: 1.407264258240711
Energy: 1.2097106328538483
Energy: 0.9857873248221376
Energy: 1.2101155142504711
Energy: 1.3110026704616295
Energy: -0.036848065680116004
Energy: 1.427847293286117
Energy: 1.2138872920727688
Energy: 0.982210545892275
Energy: 1.0984492359348803
Energy: 1.4281378072617439
Energy: 1.109454113566601
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Energy: 0.9817633996243672
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Energy: 1.4390918360013072
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Energy: 1.1194654629221124
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Energy: 1.4283163511810621
Energy: 1.44452960657881
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Energy: 1.4396235472549899
Energy: 1.4400849585963782
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Energy: 1.4433933641741419
Energy: 1.4399087061472624
Energy: 0.14084010999694394
Energy: 1.3646461976328301
Energy: 1.441518249553405
Energy: 1.4171245243705557
Energy: 1.4436714342171355
Energy: 1.3388580203726566
Energy: 0.3538127741287371
Energy: 1.3464928998772634
Energy: 1.4472546040769414
Energy: 1.4376184269894698
Energy: 1.429655318599762
Energy: 1.332161966888506
Energy: 0.19063018966924675
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Energy: 1.433254542016639
Energy: 1.4409217406167
Energy: 1.3438586094048557
Energy: 1.30353270267414
Energy: 0.59831034221029
Energy: 1.3294513717405791
Energy: 1.4343350224449505
Energy: 1.4282649876421059
Energy: 1.348507816235619
Energy: 1.3517510236671186
Energy: 1.099233189301956
Energy: 1.3064943212197175
Energy: 1.436686832040853
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Energy: 1.3439410476411708
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Energy: 1.3022599849824437
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Energy: 1.3013402574649904
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Energy: 1.402007226284256
Energy: 1.4459982652843213
Energy: 1.400966566339809
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Energy: 0.6719910793867783
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Energy: 1.4453880254329925
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Energy: 1.1010711949493333
Energy: 1.0906232665542868
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Energy: 1.0931988749910262
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Energy: 1.0965254544471383
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Energy: 1.0930062447760007
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Energy: 1.4285476083399722
Energy: 1.44079588574645
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Energy: 1.0941713977548746
Energy: -0.20522460691244093
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Energy: 1.424586161569619
Energy: 1.4368851522967978
Energy: 1.4243291014570691
Energy: 0.4457829310583102
Energy: -0.04530313575680669
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Energy: 1.4237314167393507
Energy: 1.4459559368046664
Energy: 1.4237195710903234
Energy: 1.4262279934750217
Energy: 1.111338996175831
Energy: 1.4279332132282918
Energy: 1.422893474734469
Energy: 1.3307851912619966
Energy: 1.4243185976911978
Energy: 1.4273868376569812
Energy: 0.2855452410105221
Energy: 1.4220016280379777
Energy: 1.445645271949195
Energy: 1.4249082898755228
Energy: 1.4498335292106383
Energy: 1.4227814543920105
Energy: -0.12312725516029056
Energy: 1.4552040872586902
Energy: 1.4418915728878705
Energy: 1.2297743218503105
Energy: 1.4417803843007646
Energy: 1.4482909876296775
Energy: 1.109964041729555
Energy: 1.4462165967154914
Energy: 1.4544963862191445
Energy: 1.2512937339221406
Energy: 1.4450261229277708
Energy: 1.4177171817813676
Energy: 0.27408171586583535
Energy: 1.445323505052245
Energy: 1.4247660040816703
Energy: 1.0901096741051886
Energy: 1.4429275741668837
Energy: 1.444977595030371
Energy: 0.9440807578335242
Energy: 1.428675091614478
Energy: 1.434671064943752
Energy: 1.09572394746115
Energy: 1.429657516091088
Energy: 1.438962660335295
Energy: 1.1063930126364812
Energy: 1.428521634351686
Energy: 1.4322779848048242
Energy: -0.5578321749756965
Energy: 1.429260402133038
Energy: 1.4321186677185016
Energy: 1.1032931086449016
Energy: 1.430394795436832
Energy: 1.2473158652976324
Energy: 0.9777806996669396
Energy: 1.4316841477158182
Energy: 1.4636895765503823
Energy: 0.9192073379604064
Energy: 1.2006737864586192
Energy: 1.2106949369518925
Energy: 0.9819541291186248
Energy: 1.2108992816398905
Energy: 1.4365651355628468
Energy: 0.2829401916007053
Energy: 1.310300577889115
Energy: 1.2131812774979758
Energy: 0.9806617295721592
Energy: 1.2113289833250505
Energy: 1.435431496913376
Energy: 1.1180072118421935
Energy: 1.214924008658797
Energy: 1.2139546182114487
Energy: 0.9852746652403588
Energy: 1.2137259049096032
Energy: 1.4582042511666702

minimum gb energy = -0.5578321749756965 eV
minimum distance =  2.29873939789895 Angstroms
sigma value = 43


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

Energy: 1.0410648195896233
Energy: 1.0742262040342492
Energy: 1.072087335084225
Energy: 1.070984877743039
Energy: 1.3546618192384254
Energy: 1.6446344650616012
Energy: 1.0701994520813145
Energy: 1.5855558834287506
Energy: 1.0680341523606856
Energy: 1.067629420866951
Energy: 1.0679134791845442
Energy: 1.604502535713282
Energy: 0.9665765037440928
Energy: 1.581727901615615
Energy: 1.0671704833063267
Energy: 1.0660615879908892
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Energy: 1.5741931144916748
Energy: 1.0557708624686304
Energy: 1.351293225683618
Energy: 1.070144343843205
Energy: 1.071459561690827
Energy: 1.070556837519338
Energy: 1.6256949501617148
Energy: 1.056848327418218
Energy: 1.350207139174184
Energy: 1.3498497476911226
Energy: 1.0723424326923097
Energy: 1.3499446049107675
Energy: 1.615473972388657
Energy: 0.9804496284269609
Energy: 1.579943729936557
Energy: 1.3503035755214232
Energy: 1.0758185523656092
Energy: 1.3504182432768046
Energy: 1.6124407223301864
Energy: 1.0691856109707758
Energy: 1.6032790255462384
Energy: 1.353981292652984
Energy: 1.0686145993969232
Energy: 1.3561668640315645
Energy: 1.6029298967384424
Energy: 1.0583579745058775
Energy: 1.6047399459437321
Energy: 1.597580329983146
Energy: 1.0676242392052704
Energy: 1.5985322499146017
Energy: 1.597734216616554
Energy: 1.071376475429683
Energy: 1.6143398800752484
Energy: 1.599550451795723
Energy: 1.073412253787751
Energy: 1.6001570829926592
Energy: 1.5979961736168353
Energy: 1.0661152331101416
Energy: 1.5958326320225824
Energy: 1.60140979990296
Energy: 1.076810106894428
Energy: 1.6010487276341276
Energy: 1.5974702972106336
Energy: 1.0699557450053123
Energy: 1.601433455896074
Energy: 1.608369860668891
Energy: 1.0661407413327533
Energy: 1.6024707555786648
Energy: 1.578566366305823
Energy: 1.0688586631075965
Energy: 1.602433021898315
Energy: 1.6018724909437345
Energy: 1.0654083867072912
Energy: 1.602327230784487
Energy: 1.6014613946642438
Energy: 1.0682105503548716
Energy: 1.3955118043496786
Energy: 1.6120558911418117
Energy: 1.3484282188276824
Energy: 1.6031213111730396
Energy: 1.3629891801171379
Energy: 1.0712662778807633
Energy: 1.3503463339981514
Energy: 1.614310561989003
Energy: 1.3948975272807786
Energy: 1.5872671778217575
Energy: 1.350253691515421
Energy: 1.0756364186184608
Energy: 1.350920585342516
Energy: 1.5761738373955998
Energy: 1.3952855335999126
Energy: 1.3556297298076383
Energy: 1.3507918677146793
Energy: 1.0730456901958063
Energy: 1.354423389283734
Energy: 1.5893472967104783
Energy: 1.6004777046541854
Energy: 1.3544357306881905
Energy: 1.0708943604869088
Energy: 1.0671476282860846
Energy: 1.068389781202045
Energy: 1.6104469355048308
Energy: 1.3935361648704263
Energy: 1.3504448365092145
Energy: 1.0683972913831596
Energy: 1.0648902711767687
Energy: 1.0668746341129178
Energy: 1.5808650445411607
Energy: 1.614417401591759
Energy: 1.3564068911641438
Energy: 1.067177263487812
Energy: 1.069846303050948
Energy: 1.0696626700834218
Energy: 1.3505554062005911
Energy: 1.0541424421363461
Energy: 1.3504539964328601
Energy: 1.0696696933003162
Energy: 1.0724421783237554
Energy: 1.350388890623312
Energy: 1.3514454649182623
Energy: 1.6280626253130035
Energy: 1.3508858874150866
Energy: 1.3507646500695814
Energy: 1.0759154934183273
Energy: 1.351330024589156
Energy: 1.579912590479515
Energy: 1.3994328991110518
Energy: 1.350605775628332
Energy: 1.3510339131750566
Energy: 1.0688452499256802
Energy: 1.352846549050053
Energy: 1.6038098730382435
Energy: 1.3937543140787259
Energy: 1.6031413844800877
Energy: 1.3528194438127248
Energy: 1.0675473599657685
Energy: 1.5973706777006438
Energy: 1.6162822020130376
Energy: 1.0545157048261986
Energy: 1.616526741289842
Energy: 1.3984002742569037
Energy: 1.0725391184333037
Energy: 1.6003268451813224
Energy: 1.614622198500907
Energy: 1.0735242352463503
Energy: 1.6032211011088378
Energy: 1.5784560094402134
Energy: 1.067791250864913
Energy: 1.6002777077766814
Energy: 1.596257579173654
Energy: 1.067649717208228
Energy: 1.5991192777996142
Energy: 1.6025386508557458
Energy: 1.0750241041074269
Energy: 1.599606354432914
Energy: 1.6013563909837174
Energy: 1.393385433652085
Energy: 1.6023854114030331
Energy: 1.5956021191656384
Energy: 1.0538183638599232
Energy: 1.6021523875344643
Energy: 1.6019384768675926
Energy: 1.0764875688658309
Energy: 1.6034040351524175
Energy: 1.6020784463848154
Energy: 1.0553987497774522
Energy: 1.6037290993411866
Energy: 1.396163108312132
Energy: 1.0682797737482779
Energy: 1.5982071761491425
Energy: 1.5864713050645145
Energy: 1.0722467708350454
Energy: 1.6028317945638368
Energy: 1.350703353589462
Energy: 1.0706233342474811
Energy: 1.3509927738529086
Energy: 1.6140926327350484
Energy: 1.0725577277094789
Energy: 1.583172912831413
Energy: 1.351548179757197
Energy: 1.073964764351849
Energy: 1.352982029903939
Energy: 1.6148696885848095
Energy: 1.0361749617780953
Energy: 1.3534641352873518
Energy: 1.3529064738023309
Energy: 1.0722246902956574
Energy: 1.3530674846321964
Energy: 1.6104585009537946

minimum gb energy = 0.9665765037440928 eV
minimum distance =  2.30456972300535 Angstroms
sigma value = 57


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

Energy: 2.47126549118973
Energy: 1.1890729771854036
Energy: 1.1891290754839865
Energy: 1.1883925918969487
Energy: 1.1903199862648717
Energy: 1.1833557809687778
Energy: 1.1828797511908633
Energy: 1.5502544493038228
Energy: 1.1828317344880317
Energy: 1.1828527993635187
Energy: 1.1826328992052764
Energy: 1.8574420378885974
Energy: 1.1826499673454003
Energy: 1.8717592735580495
Energy: 1.182010370073816
Energy: 1.181426992634979
Energy: 1.1818729270415385
Energy: 1.8485523095487693
Energy: 1.1723558072608398
Energy: 1.550732809376442
Energy: 1.184889610393745
Energy: 1.1865444049032585
Energy: 1.1849754782145077
Energy: 1.1676905367475467
Energy: 1.1716944732062302
Energy: 1.5497079071576774
Energy: 1.5500284469737966
Energy: 1.1901819050552374
Energy: 1.5498105172592973
Energy: 1.1650359730210786
Energy: 1.1833085746170495
Energy: 1.853456725866553
Energy: 1.5507213878358972
Energy: 1.187724171832098
Energy: 1.5508621161430571
Energy: 1.590415328385051
Energy: 1.1840788469653167
Energy: 1.857346628630414
Energy: 1.5529269014064393
Energy: 1.1864494448751681
Energy: 1.552899703196299
Energy: 1.8557551106140913
Energy: 1.1719314337082698
Energy: 1.8541614909774253
Energy: 1.5921756037284553
Energy: 1.1857958856707393
Energy: 1.8699064303991069
Energy: 1.8511890001742166
Energy: 1.1847561150348396
Energy: 1.8693548194006269
Energy: 1.8644166977587668
Energy: 1.1805329780232898
Energy: 1.8531051810496184
Energy: 1.591950588184284
Energy: 1.186901848225491
Energy: 1.5540465737192077
Energy: 1.8569180637825737
Energy: 1.184063298286534
Energy: 1.8582560657324252
Energy: 1.1874756066484786
Energy: 1.1924351669933897
Energy: 1.5507468356416547
Energy: 1.8702228112277794
Energy: 1.1832911869644949
Energy: 1.549252881358256
Energy: 1.1859700419032235
Energy: 1.1911234217042097
Energy: 1.5499010688977661
Energy: 1.5499945155899606
Energy: 1.1713713475082856
Energy: 1.5499913918577946
Energy: 1.186207815521317
Energy: 1.1866256744664156
Energy: 1.1854189191058413
Energy: 1.86908006245462
Energy: 1.8559689813836728
Energy: 1.5516139212807867
Energy: 1.1853384689016813
Energy: 1.181080325012968
Energy: 1.181908780076262
Energy: 1.8499796005737932
Energy: 1.1827971949317633
Energy: 1.552506495002156
Energy: 1.1819767907309813
Energy: 1.1817379345355261
Energy: 1.1825346465686717
Energy: 1.8509318428824661
Energy: 1.1841233451373672
Energy: 1.550607605767056
Energy: 1.182626749864846
Energy: 1.1893770957829357
Energy: 1.1869226174768024
Energy: 1.8783515433123357
Energy: 1.1676235705030233
Energy: 1.5536080017932457
Energy: 1.186831569250759
Energy: 1.1914371596846607
Energy: 1.5493712774402375
Energy: 1.549953911953551
Energy: 1.1846553481475193
Energy: 1.5496663722882011
Energy: 1.5502029139993572
Energy: 1.1896570465602363
Energy: 1.549561186873091
Energy: 1.8524170674198328
Energy: 1.1837013895565127
Energy: 1.549332495682987
Energy: 1.5499168949268032
Energy: 1.18531591517587
Energy: 1.1880211889742667
Energy: 1.8544637048387307
Energy: 1.1928928117291329
Energy: 1.8570514960850644
Energy: 1.1878977936757569
Energy: 1.1862385508117363
Energy: 1.8558042693116212
Energy: 1.8530353387139646
Energy: 1.1940798730915732
Energy: 1.8561779052330178
Energy: 1.5875621396535358
Energy: 1.1770827746025474
Energy: 1.8543508982785255
Energy: 1.5887557071306893
Energy: 1.18539159648263
Energy: 1.8531022267638757
Energy: 1.17641245028424
Energy: 1.1842485485555025
Energy: 1.858291502063291
Energy: 1.551261137819487
Energy: 1.1880735527785287
Energy: 1.550773035589231
Energy: 1.5870196441226998
Energy: 1.1829224754751069
Energy: 1.8421040578357868
Energy: 1.552527027628781
Energy: 1.1874843106282893
Energy: 1.5535008554150997
Energy: 1.8699212719074
Energy: 1.1677500563979901
Energy: 1.5519713077860327
Energy: 1.5510942742335387
Energy: 1.1906278416065377
Energy: 1.5514689760419251
Energy: 1.851977901277456

minimum gb energy = 1.1650359730210786 eV
minimum distance =  2.28311452539021 Angstroms
sigma value = 17


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

Energy: 3.3673618285549707
Energy: 1.3447173800993875
Energy: 1.3464930681609315
Energy: 1.3457938017467865
Energy: 1.342379035087778
Energy: 2.2340686951056745
Energy: 1.344247561461085
Energy: 1.8281265464368828
Energy: 1.3381774234330057
Energy: 1.3396393021020354
Energy: 1.3379782869257046
Energy: 1.3401071304642354
Energy: 1.343569571968527
Energy: 1.8330915982382219
Energy: 1.3373616889409514
Energy: 1.3378881817764472
Energy: 1.3370912127521002
Energy: 1.3422738158387066
Energy: 1.3253472149973162
Energy: 1.8273925720443438
Energy: 1.3408422239514002
Energy: 1.3455638952213096
Energy: 1.3408526509547225
Energy: 1.45881959756952
Energy: 1.3276066440848058
Energy: 1.8274657606898137
Energy: 1.3410155293362571
Energy: 1.3463476379224644
Energy: 1.8274030714281417
Energy: 1.4557168042210564
Energy: 1.3444101049727581
Energy: 1.456288472690511
Energy: 1.8311845826360358
Energy: 1.332374925974302
Energy: 1.8310270261641426
Energy: 1.3414943780263795
Energy: 1.3474736859452725
Energy: 1.828209346136018
Energy: 1.3414519712109998
Energy: 1.3450768955715993
Energy: 1.457126468278305
Energy: 1.340052502577946
Energy: 1.3481716130852703
Energy: 1.8305605430487726
Energy: 1.840667258560372
Energy: 1.345215600837665
Energy: 1.8310467423183145
Energy: 1.3403143355432423
Energy: 1.3486496114100028
Energy: 1.3420818496323739
Energy: 1.3316539650569537
Energy: 1.3310143317357228
Energy: 1.8277668352118848
Energy: 1.3430203579455586
Energy: 1.3404774358070108
Energy: 1.3387505970574403
Energy: 1.457908407775844
Energy: 1.3313835544729133
Energy: 1.826938033331539
Energy: 1.3391770793872224
Energy: 1.3362697041761071
Energy: 1.3370425037507447
Energy: 1.3419864385519313
Energy: 1.3434208467224662
Energy: 1.336689843796225
Energy: 1.3371826800247806
Energy: 1.3414774690777826
Energy: 1.3395552154526658
Energy: 1.4568808878879138
Energy: 1.325625395783894
Energy: 1.827231179692724
Energy: 1.3396493634570943
Energy: 1.347890635337555
Energy: 1.8284348876564953
Energy: 1.4563743331739574
Energy: 1.3263039657875353
Energy: 1.8273061835723472
Energy: 1.3438465721621264
Energy: 1.3327596346659434
Energy: 1.8322165718280203
Energy: 1.840038529537964
Energy: 1.3443291528720251
Energy: 1.8338382163278486
Energy: 1.3288954322611377
Energy: 1.3455342478366354
Energy: 1.8283345337524797
Energy: 1.341064254644914
Energy: 1.3466687785606561
Energy: 1.456953290297103
Energy: 1.3407766892206265
Energy: 1.343860964156515
Energy: 1.456379753631858
Energy: 1.8338624106750145
Energy: 1.3393932754732891
Energy: 1.8318618320983266
Energy: 1.3412754098532513
Energy: 1.3309287585005827
Energy: 1.8268106398983874
Energy: 1.3422377527379334
Energy: 1.3488027242232452
Energy: 1.8277689794400407
Energy: 1.3311137992693511

minimum gb energy = 1.3253472149973162 eV
minimum distance =  2.30784591008814 Angstroms
sigma value = 17


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

Energy: 1.4625524739012072
Energy: 1.2766938934225396
Energy: 1.2790378899069574
Energy: 1.2790010159712248
Energy: 1.278986768249907
Energy: 1.2781091028849738
Energy: 1.3669779638390211
Energy: 1.3683300237758638
Energy: 1.3676937872019135
Energy: 1.3693978215030447
Energy: 1.367848755392182
Energy: 1.361580510252481
Energy: 1.3730078365588572
Energy: 1.6687608398598641
Energy: 1.3675181968975345
Energy: 1.3679885183997287
Energy: 1.3670710871689833
Energy: 1.2772617844918357
Energy: 1.4533487847745723
Energy: 1.365594435526719
Energy: 1.3706397758454851
Energy: 1.3740108067023116
Energy: 1.369754921733784
Energy: 1.6506047007917601
Energy: 1.3774735958810447
Energy: 1.6463588108702174
Energy: 1.374749566735355
Energy: 1.3767577932556332
Energy: 1.3656240908783603
Energy: 1.6487010794993666
Energy: 1.3721845709509166
Energy: 1.3709390898220715
Energy: 1.2729389137797174
Energy: 1.278107101080216
Energy: 1.366923635365908
Energy: 1.371751471569856
Energy: 1.3678918886475886
Energy: 1.3677502116073814
Energy: 1.3629611771957582
Energy: 1.3754874920710978
Energy: 1.369362447093427
Energy: 1.3676428024700382
Energy: 1.368062190436118
Energy: 1.3673323950871152
Energy: 1.369802794725353
Energy: 1.3693944067710377
Energy: 1.3672067789983267
Energy: 1.3676709908991576
Energy: 1.3746967114182584
Energy: 1.369422881911944
Energy: 1.6674547472715542
Energy: 1.3692490740962122
Energy: 1.3698286607211285
Energy: 1.3705048273359046
Energy: 1.7666007339671947
Energy: 1.3690429436701772
Energy: 1.3697399587253716
Energy: 1.465311776829018
Energy: 1.3679802079694938
Energy: 1.3689989972593841
Energy: 1.5442722680248782
Energy: 1.3676676833075918
Energy: 1.2789184252089736
Energy: 1.3729853487463954
Energy: 1.3716551110325328
Energy: 1.3679177395424866
Energy: 1.7680700768622775
Energy: 1.3690441138293339
Energy: 1.2754101955764487
Energy: 1.2801145403282426
Energy: 1.2753528458483967
Energy: 1.3701271275127878
Energy: 1.470878584704063
Energy: 1.2755160964569274
Energy: 1.275127123166262
Energy: 1.3612487700940943
Energy: 1.275068149396484
Energy: 1.3737475553735459
Energy: 1.2801444774495736
Energy: 1.2772852874528318
Energy: 1.2780503174505926
Energy: 1.2783569910851897
Energy: 1.2787731337752142
Energy: 1.9978057021800038
Energy: 1.465137743938069
Energy: 1.2753878845737534
Energy: 1.2749486620620325
Energy: 1.2767409798402618
Energy: 1.27492253439861
Energy: 1.6655851998751399
Energy: 1.4684328562553612
Energy: 1.27437771277138
Energy: 1.274364170512557
Energy: 1.2748398183363348
Energy: 1.2747147464298088
Energy: 1.2791928942288695
Energy: 1.3723671185378417
Energy: 1.2760964496226237
Energy: 1.2761798580931867
Energy: 1.2781154316442402
Energy: 1.2758396974381814
Energy: 1.6491860561333076
Energy: 1.3682818565523356
Energy: 1.668722422836459
Energy: 1.27632767822665
Energy: 1.6787573754663818
Energy: 1.276426380978782
Energy: 1.6490877035713576
Energy: 1.469791132647171
Energy: 1.737527300889949
Energy: 1.2749418751371642
Energy: 1.2761059123485912
Energy: 1.2750364043324394
Energy: 1.3737409817362278
Energy: 1.7672390196360195
Energy: 1.3683604037145976
Energy: 1.2764271746157083
Energy: 1.6799787584437578
Energy: 1.669024399618303
Energy: 1.369054859419684
Energy: 1.5444387348603057
Energy: 1.3679690129696487
Energy: 1.6718218301596461
Energy: 1.3709856950002133
Energy: 1.369439753549195
Energy: 1.368175446626
Energy: 1.3759675830617015
Energy: 1.3703510190185861
Energy: 1.2750314717737934
Energy: 1.457426236754907
Energy: 1.3688568576542548
Energy: 1.3705814280010375
Energy: 1.3706579366859384
Energy: 1.3687571372859988
Energy: 1.369910323961311
Energy: 1.8136054536884358
Energy: 1.3687092841474795
Energy: 1.3688302860322665
Energy: 1.3668326665649848
Energy: 1.367028245700459
Energy: 1.2787459385665623
Energy: 1.3738439504767082
Energy: 1.3691365751016764
Energy: 1.3667179566344194
Energy: 1.3698926519540715
Energy: 1.36879127947431
Energy: 1.6474777297296994
Energy: 1.680902156248729
Energy: 1.6462127004859086
Energy: 1.369062110904582
Energy: 1.3758292312034544
Energy: 1.3638573922358497
Energy: 1.6488564906851788
Energy: 1.2760281847805548
Energy: 1.3671629895210635
Energy: 1.372703810440416
Energy: 1.2823378760665518
Energy: 1.3663419818334948
Energy: 1.373070409259694
Energy: 1.374717996062471
Energy: 1.3658920250000284
Energy: 1.2732718418488225
Energy: 1.278923576783203
Energy: 1.3647035429449548
Energy: 1.3685291437008416
Energy: 1.3704152078355072
Energy: 1.3680603586950781
Energy: 1.6485211914797093
Energy: 1.3722670806804649
Energy: 1.3678786573124988
Energy: 1.3669228984021136
Energy: 1.3736301165060936
Energy: 1.3661931745479916
Energy: 1.2788179738551222
Energy: 1.3638668295613958
Energy: 1.3695919688619886
Energy: 1.368795735910653
Energy: 1.3713932015924657
Energy: 1.3691089835609531
Energy: 1.45866616711339
Energy: 1.367584164862016
Energy: 1.3684865114239455
Energy: 1.3700334433313308
Energy: 1.4689133526710778
Energy: 1.3701004749142034
Energy: 1.458612571551359
Energy: 1.370589981991516
Energy: 1.3679597612863097
Energy: 1.3678536730945463
Energy: 1.368930896947145
Energy: 1.3675674525364772
Energy: 1.2795878363834439
Energy: 1.6800108633092374
Energy: 1.2763901922186773
Energy: 1.3689385719542115
Energy: 1.37050183859562
Energy: 1.3682773481396595
Energy: 1.2762883646797425
Energy: 1.8547690031958863
Energy: 1.275339364044674
Energy: 1.371870327111643
Energy: 1.469712162503642
Energy: 1.6687168960830177
Energy: 1.2749330706400037
Energy: 1.375537769072077
Energy: 1.2764516152889178
Energy: 1.9910679754220149
Energy: 1.2746471650663538
Energy: 1.2760170447707802
Energy: 1.276484183397469
Energy: 1.2770713862624827
Energy: 1.2759629430448933
Energy: 1.6669153037451048
Energy: 1.277944894087233
Energy: 1.2759928660017816
Energy: 1.27579829582778
Energy: 1.2731756141314312
Energy: 1.274691836007927
Energy: 1.2790499797704027
Energy: 1.4690092806356965
Energy: 1.274380786999297
Energy: 1.2753598097648071
Energy: 1.2757166207317454
Energy: 1.2751035642785848
Energy: 1.6672148769365227
Energy: 1.769331982420913
Energy: 1.2751160040221292
Energy: 1.2750184016432178
Energy: 1.2785459438875604
Energy: 1.278589278753861
Energy: 1.36294668339821
Energy: 1.3723786984864181
Energy: 1.2772131793318242
Energy: 1.2785117633069427
Energy: 1.6220212024379408
Energy: 1.2752065953409661
Energy: 1.458835085669293
Energy: 1.471620503660475
Energy: 1.2754104799128092
Energy: 1.2749319782395039
Energy: 1.4584129735177946
Energy: 1.2755363082571205
Energy: 1.3696944547990186
Energy: 1.7680074062545426
Energy: 1.3686507989537429
Energy: 1.2754087643684915
Energy: 1.3722525476500913
Energy: 1.9742761840582554
Energy: 1.3679081139849933
Energy: 1.3685352158181618
Energy: 1.3678596563412284
Energy: 1.2784017027966654
Energy: 1.7688708713865249
Energy: 1.3704055049003203
Energy: 1.3688379941606101
Energy: 1.546937422159258
Energy: 1.3689247833201261
Energy: 1.2740988493195715

minimum gb energy = 1.2729389137797174 eV
minimum distance =  2.32472201854883 Angstroms
sigma value = 57


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

Energy: 1.756912253222772
Energy: 1.2695133483043817
Energy: 1.2736401167740696
Energy: 1.3226080709443395
Energy: 1.272526356273563
Energy: 1.2426296291948795
Energy: 1.4370422215991874
Energy: 1.3260830368311827
Energy: 1.3286461306156312
Energy: 1.3534841354239917
Energy: 1.326217034632404
Energy: 1.5578738835745491
Energy: 1.4790754484521276
Energy: 1.4980619918869778
Energy: 1.3288966653631493
Energy: 1.3296250633842805
Energy: 1.3263356871066285
Energy: 1.4389656115745229
Energy: 0.13598390110980846
Energy: 1.3432815080267388
Energy: 1.3277301302002447
Energy: 1.3488947987487736
Energy: 1.322643889609899
Energy: 1.3374050999761182
Energy: 1.481643229279118
Energy: 1.3426895943891237
Energy: 1.583858431498637
Energy: 1.2381010616963959
Energy: 1.3434870507284047
Energy: 1.3396957655766157
Energy: 1.440269691864198
Energy: 1.439931209746124
Energy: 1.2528322675541192
Energy: 1.263758788248058
Energy: 1.3462799800821446
Energy: 1.4397487495561776
Energy: 1.438429688907327
Energy: 1.4383441222998536
Energy: 1.5869988424514774
Energy: 1.2678761019540044
Energy: 1.442423274297846
Energy: 1.4400792983544686
Energy: 1.437938298592098
Energy: 1.4389876272920494
Energy: 1.4409400596002493
Energy: 1.3285407451044873
Energy: 1.4392997551769018
Energy: 1.439499885554308
Energy: 1.4401489825018925
Energy: 1.4391909312904223
Energy: 1.3261491345562628
Energy: 1.3214747038260475
Energy: 1.4413887824152607
Energy: 1.4388900046378004
Energy: 1.4769248971367217
Energy: 1.4396107323282192
Energy: 1.4419200732139814
Energy: 1.41561873066026
Energy: 1.439972238165907
Energy: 1.4400816985812748
Energy: -0.04525329512437392
Energy: 1.4402182421924816
Energy: 1.128138752970354
Energy: 1.4830556216038164
Energy: 1.3778835736502897
Energy: 1.4417647042923742
Energy: 1.4777092244382326
Energy: 1.4414465061866952
Energy: 1.1402244092440394
Energy: 1.1490960658732663
Energy: 1.139342841603806
Energy: 1.4782664030462944
Energy: 1.4808218341032482
Energy: 1.1386806348953598
Energy: 1.140169630359218
Energy: 1.1489719425954046
Energy: 1.1399291170061405
Energy: 1.4782071049430592
Energy: 0.07141721834693121
Energy: 1.1194260119512767
Energy: 1.2656275069838439
Energy: 1.2658392217182712
Energy: 1.129109748283835
Energy: 1.1114176075364286
Energy: 1.4769141712226421
Energy: 1.138725439878932
Energy: 1.13958421965018
Energy: 1.1470888927344227
Energy: 1.1392439436950015
Energy: 1.139067349399902
Energy: 1.4787427464674139
Energy: 1.491028909905786
Energy: 1.1414653272327984
Energy: 1.1472834145602466
Energy: 1.1408555839729757
Energy: 1.4773834087524582
Energy: 0.0628464546634082
Energy: 1.3414362189375653
Energy: 1.1346324778061787
Energy: 1.4861450145829604
Energy: 1.1308059952660348
Energy: 1.3383695170504275
Energy: 1.4773689376806287
Energy: 1.352720970312362
Energy: 1.5987772133197247
Energy: 1.3434491043333798
Energy: 1.6002548250317399
Energy: 1.3385849507950403
Energy: 1.44237463202927
Energy: 1.6888300737120343
Energy: 1.245634690376937
Energy: 1.2547609032460358
Energy: 1.3464894449423777
Energy: 1.439615757048025
Energy: 1.4373806856011972
Energy: 1.4403529461024211
Energy: 1.5992199858765126
Energy: 1.3235413164648004
Energy: 1.3426006718646861
Energy: 1.440019356590415
Energy: 1.4376968164247017
Energy: 1.4386970608226715
Energy: 1.440167248593605
Energy: 1.3275669863849215
Energy: 1.4388655686524476
Energy: 1.4396479254981636
Energy: 1.4387739190967186
Energy: 1.4393533584516771
Energy: 1.3262750383487016
Energy: 0.29406260047946403
Energy: 1.4401171017346723
Energy: 1.4399483880013408
Energy: 1.4810841327402104
Energy: 1.4387982281512521
Energy: 1.751970844034095
Energy: 1.8046453342895301
Energy: 1.4404527810710275
Energy: 1.4385758634882913
Energy: -0.04610229178055714
Energy: 1.4405237639126032
Energy: 1.3190306720676859
Energy: 1.3482989052289727
Energy: 1.7538422661655486
Energy: 1.4405602443781467
Energy: 1.4798154961865662
Energy: 1.4407753038397835
Energy: 1.326213439259421
Energy: 1.3281270617230034
Energy: 1.3245619768807944
Energy: 1.4389780103617742
Energy: 1.4408716336713543
Energy: 1.3235536987817698
Energy: 1.3267654355874345
Energy: 1.3292088886972244
Energy: 1.3258222286181804
Energy: 1.4429248121249658
Energy: 0.40968195837430094
Energy: 1.3230289551500056
Energy: 0.10951812795503947
Energy: 1.3059179620798442
Energy: 1.344631111519985
Energy: 1.2446993284437282

minimum gb energy = -0.04610229178055714 eV
minimum distance =  2.32925938086082 Angstroms
sigma value = 43


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

Energy: 3.7488591610131583
Energy: 0.7202471029275811
Energy: 1.392852330012113
Energy: 1.3925591009205716
Energy: 1.3938687350910501
Energy: 1.3600252692361576
Energy: 1.3650525673897236
Energy: 1.454009420023171
Energy: 1.4539596293421775
Energy: 1.4577827105952244
Energy: 1.4540880328201518
Energy: 1.8065960637665488
Energy: 1.5642871656258577
Energy: 1.4552210182484249
Energy: 1.4534293959944211
Energy: 1.455534733009581
Energy: 1.4532756073845072
Energy: 1.4564650301973598
Energy: 0.4912652629668223
Energy: 1.3633300847400065
Energy: 1.4567523664783324
Energy: 1.4575167873892907
Energy: 1.7690078843804744
Energy: 1.361196589881607
Energy: 1.566336043982471
Energy: 1.3617122136416997
Energy: 1.455869741711382
Energy: 1.5446643851620638
Energy: 1.4560697277228603
Energy: 1.3616741980796918
Energy: 1.3644862940547882
Energy: 1.3638144774935226
Energy: 1.360402838911274
Energy: 1.3613637631188378
Energy: 1.3625060754607128
Energy: 1.3636976232554547
Energy: 1.3624593929934323
Energy: 1.3606530529210503
Energy: 1.4565755121699973
Energy: 1.4554293953905908
Energy: 1.3606441914917369
Energy: 1.3607202785656507
Energy: 1.3615884505220426
Energy: 1.3604109690479274
Energy: 1.4566301139215831
Energy: 1.4561744112929043
Energy: 1.3605556754961432
Energy: 1.360598238267988
Energy: 1.3638360845051944
Energy: 1.3632389858356004
Energy: 1.455624961092503
Energy: 1.3599375173047388
Energy: 1.3613964612776026
Energy: 1.363178953031411
Energy: 0.8401429741916259
Energy: 1.3620216681939732
Energy: 1.4558024972763424
Energy: 1.5636403719573122
Energy: 1.4556385059028878
Energy: 1.3620004413684585
Energy: 1.5451689335728573
Energy: 1.3634944503767152
Energy: 1.4567994208496728
Energy: 1.4571450533826764
Energy: 1.4532536936606328
Energy: 1.3596259599726204
Energy: 1.5644938678050642
Energy: 1.454232412576548
Energy: 1.4536236902868542
Energy: 1.4564695139008799
Energy: 1.4536599318137202
Energy: 1.4563984438223028
Energy: 1.4549302489401565
Energy: 1.4536643595336443
Energy: 1.453671898447478
Energy: 1.456889421705236
Energy: 1.4536407175053845
Energy: 1.4576159311284984
Energy: 1.5080505506470514
Energy: 1.455383340922875
Energy: 1.4573202866062522
Energy: 1.4571426477804705
Energy: 1.4570700275674724
Energy: 1.4529199748006574
Energy: 1.452868050319259
Energy: 1.4534076785167134
Energy: 1.4544610968374934
Energy: 1.4555783865966097
Energy: 1.4542211791164001
Energy: 1.4538008071956148
Energy: 1.56407458495814
Energy: 1.455101268123788
Energy: 1.4535179959355533
Energy: 1.455767744687045
Energy: 1.4537201770383588
Energy: 1.4562501732068285
Energy: 1.5672621900011188
Energy: 1.4536154247709285
Energy: 1.4559542230438058
Energy: 1.5644887770512668
Energy: 1.638072838367837
Energy: 1.4537754834149694
Energy: 1.5665926115707673
Energy: 1.4540329664573726
Energy: 1.4534210691684457
Energy: 1.0034149569645574
Energy: 1.4534685920259363
Energy: 1.4542423973317022
Energy: 1.3931097377497585
Energy: 1.3937706454219978
Energy: 1.3654615709649829
Energy: 1.3603696195272248
Energy: 0.7202974191428259
Energy: 1.3926807139852087
Energy: 1.4566730418761542
Energy: 1.4540131118317852
Energy: 1.4537848647844762
Energy: 1.361136202027518
Energy: 1.4539699407172335
Energy: 1.4539746008716528
Energy: 1.4547184745131554
Energy: 1.453445165633827
Energy: 1.3626523770192498
Energy: 1.564212188578152
Energy: 1.453105236378109
Energy: 1.453598905400534
Energy: 1.4574123924690179
Energy: 1.4565186293771737
Energy: 1.3623770680319747
Energy: 1.3614707459177449
Energy: 1.363643235076772
Energy: 1.4565191982966887
Energy: 1.544769808782224
Energy: 1.4560003553353755
Energy: 1.3616981574561946
Energy: 1.455249772299434
Energy: 1.3647628800784286
Energy: 1.4554875095954045
Energy: 1.546224622688016
Energy: 1.804745774198425
Energy: 1.3637670887531652
Energy: 1.3646073533555576
Energy: 1.363021026554294
Energy: 1.3597285615648975
Energy: 1.4553301387749282
Energy: 1.4565283848523978
Energy: 1.3607817058168392
Energy: 1.3634903121860225
Energy: 1.3605257454141353
Energy: 1.5640002225760075
Energy: 1.4561289675140832
Energy: 1.3641535289617364
Energy: 1.3606031043631837
Energy: 1.3629051154064555
Energy: 1.3603810431895795
Energy: 1.5627198072107662
Energy: 1.5622670599523556
Energy: 1.8046827756234325
Energy: 1.3632155307343783
Energy: 1.3639639959070573
Energy: 1.3635357000279174
Energy: 1.3599728944354383
Energy: 0.8420662219719657
Energy: 1.4556134178825764
Energy: 1.362043203987668
Energy: 1.5644610138362904
Energy: 1.3616497552426807
Energy: 1.4554728494965894
Energy: 1.4571633047091148
Energy: 1.4571148035565424
Energy: 1.361847136201491
Energy: 1.3601608561468037
Energy: 1.3635937947280197
Energy: 1.456850891478993
Energy: 1.4553349157105633
Energy: 1.4536989174827133
Energy: 1.3627487575566872
Energy: 1.5644843870124117
Energy: 1.4553316431808883
Energy: 1.4536727972905803
Energy: 1.4558248699867833
Energy: 1.4536513280606715
Energy: 1.4537979911548675
Energy: 1.4545894496345726
Energy: 1.4537399495514702
Energy: 1.4536408343737848
Energy: 1.457172077729829
Energy: 1.4572063893047114
Energy: 1.453260200420868
Energy: 1.359867468938467
Energy: 1.4562699894294235
Energy: 1.4572473284437317
Energy: 1.5642915533774004
Energy: 1.4545773913665683
Energy: 1.453393507182708
Energy: 1.452645585192107
Energy: 1.4531876850737964
Energy: 1.4547846212534103
Energy: 1.5455664194625869
Energy: 1.4534484605344473
Energy: 1.4560520613388372
Energy: 1.5641623099803317
Energy: 1.4549772518934128
Energy: 1.4535433896479022
Energy: 1.564379929390304
Energy: 1.455364336601546
Energy: 1.4537051371028886
Energy: 1.4562153283064663
Energy: 1.4535543216496538
Energy: 1.4562257807845338
Energy: 1.0242811581597866
Energy: 1.4533614281660698
Energy: 1.454163530706637
Energy: 1.4561035836462644
Energy: 1.4538585939622382
Energy: 2.1695259854552584

minimum gb energy = 0.4912652629668223 eV
minimum distance =  2.27298880233943 Angstroms
sigma value = 81


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

Energy: 1.4879095186619722
Energy: 1.6123536154910234
Energy: 1.4918535268252109
Energy: 1.491774670960605
Energy: 1.611677241150124
Energy: 1.4883145218132752
Energy: 1.4918330634963282
Energy: 1.616600117933723
Energy: 1.491724100994815
Energy: 1.4916455083638032
Energy: 1.4916787749584297
Energy: 1.611890487036231
Energy: 1.613240127544474
Energy: 1.6118399460148327
Energy: 1.491750304018875
Energy: 1.4911763802621154
Energy: 1.4918885942766638
Energy: 1.6113382626808064
Energy: 1.6104925002656572
Energy: 1.6117202989347768
Energy: 1.4922983192856325
Energy: 1.4916439454509078
Energy: 1.6115953561607987
Energy: 1.6117284074064078
Energy: 1.610750132143718
Energy: 1.6153193412732048
Energy: 1.6117591943344343
Energy: 1.4885245638090492
Energy: 1.6139173069893635
Energy: 1.6120532512570451
Energy: 1.4918255030200307
Energy: 1.4915093978790968
Energy: 1.4885253243527559
Energy: 1.4906209038612093
Energy: 1.6117838060648615
Energy: 1.4918925919887007
Energy: 1.4927396243893174
Energy: 1.4916420848024492
Energy: 1.6117704729156954
Energy: 1.610999632444282
Energy: 1.6146778265376898
Energy: 1.4916876121048575
Energy: 1.4923238292043106
Energy: 1.4918737070672814
Energy: 1.6119023310992702
Energy: 1.615699095322115
Energy: 1.6154526348323197
Energy: 1.4915790492710552
Energy: 1.4916488811831716
Energy: 1.4918480402442356
Energy: 1.6119571486999198
Energy: 1.611533542494223
Energy: 1.612019568688663
Energy: 1.4917546196944937
Energy: 1.488347441090819
Energy: 1.6161250550156092
Energy: 1.6120076745563174
Energy: 1.610860598283798
Energy: 1.6127720439771323
Energy: 1.6116535086022394

minimum gb energy = 1.4879095186619722 eV
minimum distance =  2.30898429243547 Angstroms
sigma value = 3


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

Energy: 2.6368289730429586
Energy: 1.455986222626057
Energy: 1.1215784828299347
Energy: 1.1257305085675764
Energy: 1.119023572844803
Energy: 0.8837164593337771
Energy: 0.8839563120262627
Energy: 1.452701269608968
Energy: 1.633610491897946
Energy: 1.6692000685085437
Energy: 1.632082433275327
Energy: 1.3845740102175956
Energy: 1.034205187011595
Energy: 0.5006598385924689
Energy: 1.6327720167756758
Energy: 1.493691729491077
Energy: 1.6662575564491708
Energy: 0.9044188431650769
Energy: 1.0065176396432376
Energy: 1.0200140790950967
Energy: 1.220442164642165
Energy: 1.2869747212157
Energy: 0.4878701213570259
Energy: 1.0293045347071037
Energy: 0.9014517303748394
Energy: 0.9180075964684931
Energy: 0.9034815830086943
Energy: 1.486408120223386
Energy: 0.9106649730237204
Energy: 0.919869608181943
Energy: 1.3328056390085692
Energy: 1.3496983475045399
Energy: 1.3265216655703613
Energy: 1.3283493125570907
Energy: 1.029371853559303
Energy: 1.3364122816463735
Energy: 1.00759335685874
Energy: 0.9171878162266637
Energy: 1.4056898346704592
Energy: 1.2793834359171363
Energy: 1.2165864975881076
Energy: 0.9130797832249702
Energy: 1.4467156979797844
Energy: 1.0287552101620712
Energy: 1.2817535918704364
Energy: 1.2866598631336603
Energy: 1.2726391458619697
Energy: 0.9083108585772003
Energy: 1.5452786666881586
Energy: 1.2982201196835543
Energy: 1.3008670095593484
Energy: 1.3101719770182312
Energy: 1.3002516933727435
Energy: 1.3189314381446484
Energy: 1.0355384651238906
Energy: 1.2473733124491704
Energy: 1.2814938492930472
Energy: 1.2855581637780813
Energy: 1.2756673581021953
Energy: 1.1008091696505373
Energy: 1.1731541941780297
Energy: 1.0953071547205524
Energy: 0.8633748583158638
Energy: 1.284778634763773
Energy: 1.4294456607870865
Energy: 1.3744177337585133
Energy: 1.6655017373493788
Energy: 1.5062118654326666
Energy: 1.281873139677197
Energy: 1.2666272032105403
Energy: 1.2084602292760953
Energy: 0.7507003852169126
Energy: 1.5101500372972074
Energy: 1.5094113634939252
Energy: 1.211709723301883
Energy: 1.1367755414587486
Energy: 1.0332895873795724
Energy: 1.5093532650153978
Energy: 1.0208970325281195
Energy: 1.5144348910750665
Energy: 1.5244449269639555
Energy: 1.434534486808592
Energy: 1.0209895188206295
Energy: 1.5130991301752
Energy: 1.020330346480139
Energy: 1.3487511305450666
Energy: 1.223565340216983
Energy: 1.2306970737181195
Energy: 1.3536485656128494
Energy: 1.0457340691333041
Energy: 1.3019281922609045
Energy: 1.414458219386207
Energy: 1.228654801172069
Energy: 1.2308975651242149
Energy: 1.2258696014384962
Energy: 1.0536780053427612
Energy: 0.7626852724755144
Energy: 1.2039255292784559
Energy: 1.2157399461434883
Energy: 1.425438694341747
Energy: 1.210030782953155
Energy: 0.5556951292610224
Energy: 0.7530205914305276
Energy: 1.2098767277473725
Energy: 1.2189119193604288
Energy: 1.4325971949658483
Energy: 1.2147883769140284
Energy: 1.4488490490060308
Energy: 1.2991565005188492
Energy: 0.9725575256183948
Energy: 1.2348640110870794
Energy: 1.2372537694962407
Energy: 1.229271106167006
Energy: 0.7995917911986299
Energy: 1.154022518906354
Energy: 1.4466595379450646
Energy: 1.2213098367610127
Energy: 1.431613180412543
Energy: 1.4427921438276612
Energy: 1.4444650669509749
Energy: 1.1711904672211166
Energy: 1.540200005941158
Energy: 1.2941704489169439
Energy: 1.435504355630053
Energy: 1.4415697945244683
Energy: 1.4449460086986141
Energy: 1.2980968504546735
Energy: 1.2010002476140094
Energy: 1.1765427637349337
Energy: 1.3286007197879235
Energy: 1.4437681278639967
Energy: 1.304232246032633
Energy: 0.8831505769210093
Energy: 1.539171696686268
Energy: 0.6697972782931018
Energy: 1.4862958409650122
Energy: 1.5428530758395946
Energy: 1.544133228906271
Energy: 1.8900166518460264
Energy: 1.4631458088716118
Energy: 1.2780374686007538
Energy: 1.279837459669557
Energy: 0.9800142949198557
Energy: 1.1115154274536159
Energy: 0.9504255794855311
Energy: 0.6693513936762925
Energy: 0.9775713188991834
Energy: 0.9635112590785438
Energy: 1.2826568075038323
Energy: 1.543346156654233
Energy: 1.5140678200096156
Energy: 0.9779061905906417
Energy: 0.977491561167616
Energy: 0.963264330695265
Energy: 0.9741835144589551
Energy: 1.096427695619529
Energy: 1.2420958733033343
Energy: 1.0928464037209058
Energy: 0.9824392567586681
Energy: 0.9733654295600792
Energy: 1.2751549373446527
Energy: 0.9123752844949642
Energy: 1.5157093156251416
Energy: 1.0908930707261881
Energy: 1.2768328298749259
Energy: 0.7827919239246253
Energy: 1.4463467892495256
Energy: 0.8855325486482907
Energy: 0.884504459006914
Energy: 1.0217349007911576
Energy: 1.4286682961755721
Energy: 1.268718660760369
Energy: 1.0950477245160506
Energy: 0.8888482233920154
Energy: 1.3526105793439458
Energy: 0.9891504493543172
Energy: 1.0937432260446924
Energy: 1.164787526243767
Energy: 0.8860339312637728
Energy: 0.8839386020745014
Energy: 1.3502975477647625
Energy: 0.8903492788790147
Energy: 1.4529820917968463
Energy: 0.7772166292050607
Energy: 0.8893048589883963
Energy: 0.8826052801992825
Energy: 0.9005337443890897
Energy: 0.8906627666878998
Energy: 1.5814479829632162
Energy: 1.5747778910466537
Energy: 0.5951748075565739
Energy: 0.9018862550246608
Energy: 1.3117236581129152
Energy: 1.4541480521420096
Energy: 1.667406078560327
Energy: 0.7858409935482182
Energy: 1.6289397649647968
Energy: 1.5621122633605777

minimum gb energy = 0.4878701213570259 eV
minimum distance =  2.29081303022929 Angstroms
sigma value = 67


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

Energy: 2.136650029690935
Energy: 1.1998213075766508
Energy: 1.1999024960780988
Energy: 1.582441112838527
Energy: 1.199701146325332
Energy: 1.2315849250884157
Energy: 1.1284174939690506
Energy: 1.182673016367889
Energy: 1.4588418960108838
Energy: 1.465608801877411
Energy: 1.178975803501288
Energy: 1.117020446126356
Energy: 1.1378099883162065
Energy: 1.1850022656656485
Energy: 1.1761985013399083
Energy: 1.4647473445047905
Energy: 1.1798091212613697
Energy: 1.6575208350529054
Energy: 1.6751417226305736
Energy: 1.7204617109623996
Energy: 1.1749389895022837
Energy: 1.4629961321523144
Energy: 1.1857153135601841
Energy: 1.7284017656342558
Energy: 1.66580889645029
Energy: 1.6651195477986662
Energy: 1.714348637168175
Energy: 1.2040197831365975
Energy: 1.7140081056395853
Energy: 1.659446407792952
Energy: 1.1234409688839893
Energy: 1.113695284029765
Energy: 1.404055555880212
Energy: 1.4062119905233148
Energy: 1.1234554818064617
Energy: 1.119462855397805
Energy: 1.9625581161566423
Energy: 1.7169225509559778
Energy: 1.7456064530619229
Energy: 1.2033077171142315
Energy: 1.8169950781175046
Energy: 1.6639436961849154
Energy: 1.9627212911576604
Energy: 1.7187005808527405
Energy: 1.4328404408265893
Energy: 1.4421119545126502
Energy: 1.4323160095931933
Energy: 1.939040435514675
Energy: 1.3438134395287888
Energy: 1.4342981273092257
Energy: 1.440850491044791
Energy: 1.441717987870951
Energy: 1.4373105767523544
Energy: 1.1237378090205274
Energy: 1.3343545301370394
Energy: 1.252664805054827
Energy: 1.4384379677377144
Energy: 1.4434399017670991
Energy: 1.196749928686774
Energy: 1.1992297979366475
Energy: 1.4813204228057866
Energy: 1.1988262926031896
Energy: 1.4148408147799183
Energy: 1.2102994305293084
Energy: 1.1857733567398199
Energy: 1.1991537615182142
Energy: 1.3428366862804622
Energy: 1.1968842246362663
Energy: 1.1989719388937852
Energy: 1.2023487768370666
Energy: 1.2512377175402445
Energy: 1.203119811379239
Energy: 1.336920290591925
Energy: 1.1968154502538828
Energy: 1.198560240227033
Energy: 1.2028404988616983
Energy: 1.1967179631224072
Energy: 1.1992647082933425
Energy: 1.488246378257847
Energy: 1.198409617588689
Energy: 1.3689688837132281
Energy: 1.2033251662169475
Energy: 1.1247862695330129
Energy: 1.1991320850749088
Energy: 1.3354557868780952
Energy: 1.1978176813215793
Energy: 1.96644016148792
Energy: 1.9646349669244967
Energy: 1.2514657292892093
Energy: 1.1992154873152372
Energy: 1.3450895851809124
Energy: 2.021433329627228
Energy: 2.027940507327846
Energy: 1.9670272186908848
Energy: 2.0276367409410705
Energy: 1.1208668326236375
Energy: 1.427943559693348
Energy: 1.7220733523267266
Energy: 1.4341192381548917
Energy: 1.4447707215553125
Energy: 1.9586245618568412
Energy: 1.4044325680514547
Energy: 1.428131465145568
Energy: 1.6680760754644293
Energy: 2.2130679358032594
Energy: 1.726753771846246
Energy: 1.7298283488633037
Energy: 1.723308467913801
Energy: 1.1326672859437739
Energy: 1.1168191337716422
Energy: 1.996000951143306
Energy: 1.9395028257369082
Energy: 1.7494350845230622
Energy: 1.1214877376525316
Energy: 1.1400549216982956
Energy: 1.1228086648524398
Energy: 1.6387314973885596
Energy: 1.728277778637113
Energy: 1.116912494288329
Energy: 1.1252288358338447
Energy: 1.1378591144500705
Energy: 1.1249597376999925
Energy: 1.1239107453344312
Energy: 1.4660221619770162
Energy: 1.1221256096925434
Energy: 1.1264013220834697
Energy: 1.1423725920384482
Energy: 1.1186969385033856
Energy: 1.171619592838835
Energy: 1.4654846414011342
Energy: 1.1195179627434984
Energy: 1.1242661765943622
Energy: 1.1856195845463302
Energy: 1.121911644554902
Energy: 1.4643990444799373
Energy: 1.4572660919453095
Energy: 1.1789677494815618
Energy: 1.1183676502436266

minimum gb energy = 1.113695284029765 eV
minimum distance =  2.30094933605336 Angstroms
sigma value = 33


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

Energy: 1.8303296694424962
Energy: 0.9674322686761897
Energy: 0.9570047607548382
Energy: 0.9572992385437016
Energy: 1.2880021475720465
Energy: 1.7317368239709539
Energy: 1.2899410927679
Energy: 1.7816738251902131
Energy: 1.7229702291643205
Energy: 1.294620228692329
Energy: 1.398648102075599
Energy: 1.4020314087344485
Energy: 1.2899897444311297
Energy: 0.9468636591809042
Energy: 1.3939904703478256
Energy: 1.6107738490119228
Energy: 1.3988603595979117
Energy: 1.2838052458475087
Energy: 1.2892280162744425
Energy: 1.3482256639879135
Energy: 1.3369019643989177
Energy: 1.2927570143999425
Energy: 0.948665295282019
Energy: 1.3506404570274004
Energy: 1.2950138865928462
Energy: 1.28501828020155
Energy: 1.0222075404487558
Energy: 1.289344731971475
Energy: 1.2887055743080549
Energy: 1.2827501025994983
Energy: 0.9591061202405146
Energy: 0.9453892351537534
Energy: 1.3503669326934031
Energy: 1.2879354257048063
Energy: 1.7250386030075098
Energy: 0.9503784615100391
Energy: 0.9392904320122883
Energy: 1.2875926664157726
Energy: 1.2811040379402792
Energy: 0.9564632928453562
Energy: 0.9483538254935728
Energy: 1.6043291010125738
Energy: 0.9514198689613936
Energy: 1.0232741907802703
Energy: 1.2818628542607449
Energy: 1.2913659521280203
Energy: 1.2799873985786907
Energy: 1.6076574397692511
Energy: 1.289584312315277
Energy: 1.2910913649498295
Energy: 1.2895066114739957
Energy: 1.29190650917779
Energy: 1.2880916376277065
Energy: 1.3440030529974878
Energy: 1.2950191254460706
Energy: 1.394690664000858
Energy: 1.2835117286454572
Energy: 1.2940012000577115
Energy: 1.3475940689545494
Energy: 1.7173888434857367
Energy: 1.2947268455918939
Energy: 1.3931004586755258
Energy: 0.9491495573578038
Energy: 1.2912256446988113
Energy: 1.4001400636787196
Energy: 2.1248832945681437
Energy: 1.2928762416519421
Energy: 1.2887951053972562
Energy: 0.9500178136713119
Energy: 1.6061148873806388
Energy: 0.9503983015886933
Energy: 1.2922543583591624
Energy: 0.9658645108657273
Energy: 1.288609282789107
Energy: 0.9500442463410483
Energy: 1.6097519766036938
Energy: 0.9507083818387494
Energy: 0.9649170141801783
Energy: 0.9570105533197009
Energy: 1.3938672627491462
Energy: 0.9460799573761052
Energy: 0.9562242031420963
Energy: 1.0264888241043477
Energy: 1.2784790695757107
Energy: 0.9546793185916445
Energy: 0.9441051059646417
Energy: 0.9460669784530635
Energy: 0.970386945448263
Energy: 0.9445418166051119
Energy: 1.7263871522321963
Energy: 0.9648047945228425
Energy: 0.9437453658184195
Energy: 0.9470018341989188
Energy: 0.9670048953189851
Energy: 0.9461887216958278
Energy: 1.0111049362894158
Energy: 1.2882003847280847
Energy: 0.9467785473194126
Energy: 0.9455477712448149
Energy: 0.9566382105596773
Energy: 0.9430186367404828
Energy: 1.3438728363303496
Energy: 0.9690693583141544
Energy: 1.3941596459863397
Energy: 1.2847152152106172
Energy: 0.9557753431365925
Energy: 1.2896925246839657
Energy: 1.294805852217119
Energy: 0.9701342590281362
Energy: 0.9693608006007454
Energy: 0.9451329067902087
Energy: 1.6070916923736478
Energy: 1.2883830249906194
Energy: 0.9690747149444714
Energy: 1.2943754593706454
Energy: 1.347439384565704
Energy: 0.9491820518550502
Energy: 1.2836570193675965
Energy: 1.4047455767212282
Energy: 1.2932889101057685
Energy: 1.6095301648970113
Energy: 1.395534187177087
Energy: 1.2863897455033078
Energy: 1.2893030254857922
Energy: 1.0213337435308731
Energy: 1.3936535306054731
Energy: 1.2938932333209372
Energy: 1.0257316398918452
Energy: 1.3479748827193863
Energy: 1.2904125452908586
Energy: 1.2880879291016618
Energy: 1.295179029917613
Energy: 1.2898968169722889
Energy: 1.2909990943064038
Energy: 1.2838687600268772
Energy: 1.2942823951787503
Energy: 1.2880659220874755
Energy: 1.0107267683364238
Energy: 1.3491009895287793
Energy: 0.9429329946125133
Energy: 0.9478248444164024
Energy: 0.9566431773801839
Energy: 0.9444444194085947
Energy: 1.3343985744212248
Energy: 0.9538228517217415
Energy: 1.2870510452312016
Energy: 1.2821654399200921
Energy: 0.9664358762053414
Energy: 1.29043706210276
Energy: 1.2819806061845571
Energy: 1.2929157820913815
Energy: 1.280520950698552
Energy: 1.2824619223105371
Energy: 0.9440135436744523
Energy: 0.9479775571162998
Energy: 1.2835795526095046
Energy: 1.2919944217626325
Energy: 1.2905866651592364
Energy: 1.2905494270993658
Energy: 1.2875639344196839
Energy: 1.2877251548326725
Energy: 1.2845540584969883
Energy: 1.29324112100709
Energy: 1.2868867385087264
Energy: 1.3954464477764226
Energy: 1.2943946201739962
Energy: 1.0230654266329258
Energy: 1.2821073368440088
Energy: 1.2908185546609792
Energy: 1.018856759983318
Energy: 1.7193832684353725
Energy: 1.294822346823006
Energy: 1.3941495883341577
Energy: 1.2837992032662608
Energy: 0.944598555883028
Energy: 0.94884137175289
Energy: 1.2894652692782442
Energy: 1.2933846395663666
Energy: 1.2767125435320759
Energy: 1.2734937355077558
Energy: 0.9577085701711049
Energy: 0.9511323536882862
Energy: 1.2899108052584645
Energy: 0.9649408071953458
Energy: 1.2885888500831275
Energy: 1.2759971397220522
Energy: 0.9566981776731821
Energy: 1.4019102152195135
Energy: 1.7800688763085
Energy: 0.9567853204124225
Energy: 1.3994992474655055
Energy: 0.9495093356956732
Energy: 0.9717479871008082
Energy: 0.9448327838788482
Energy: 1.0194638213275822
Energy: 0.9540445203883299
Energy: 0.9432086407198365
Energy: 0.9474801649819447
Energy: 0.9660747584769943
Energy: 0.9464640796320328
Energy: 0.9432208102136117
Energy: 0.9653603442199363
Energy: 0.9445411147628071
Energy: 0.948142554343988
Energy: 0.9663865689181409
Energy: 0.9442998183278535
Energy: 1.021730645887197
Energy: 1.2958481741845038
Energy: 0.9434743593259334
Energy: 0.9471455442880446
Energy: 0.9566500062551248
Energy: 1.2855023405352688
Energy: 1.3439710699535747
Energy: 1.2943891680789918
Energy: 1.7809887383308218
Energy: 0.9506894667387563
Energy: 0.9595968682927654
Energy: 0.9503366870412786
Energy: 0.969010781676925
Energy: 0.9629946341278557
Energy: 1.2892590487111817
Energy: 1.6023234679463416

minimum gb energy = 0.9392904320122883 eV
minimum distance =  2.27983857658234 Angstroms
sigma value = 41


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

Energy: 2.6683258527043563
Energy: 1.0612282046233743
Energy: 1.0760263680417634
Energy: 1.1248157355697999
Energy: 1.0952895963038924
Energy: 0.3866340789972235
Energy: 1.1378318359816426
Energy: 0.5121038533881455
Energy: 0.5143030384301494
Energy: 1.1289683210983783
Energy: 0.5075358641283136
Energy: 1.0867571031364556
Energy: 1.1333847046577212
Energy: 0.5167622040473023
Energy: 0.5001187957326155
Energy: 0.4624774315480195
Energy: 0.5199987810013638
Energy: 1.0854299941573653
Energy: 1.1200204452733766
Energy: 0.5132782243724868
Energy: 0.5100045008385077
Energy: 1.1520051973746575
Energy: 0.5131366225149192
Energy: 0.4787992500759312
Energy: 1.1199841866680258
Energy: 1.0933099302264904
Energy: 0.5078615850427753
Energy: 1.112374342095245
Energy: 0.5068174695754474
Energy: 1.0911387172508997
Energy: 1.128945665974245
Energy: 1.0855223627849626
Energy: 0.5100608346214949
Energy: 0.998217617531713
Energy: 1.0832278913405338
Energy: 1.0955985655402791
Energy: 1.7448453132712907
Energy: 0.5070184852549607
Energy: 1.0989773007673755
Energy: 1.1507484778979702
Energy: 0.5061525725425947
Energy: 1.6888423540230288
Energy: 1.7272145539698809
Energy: 0.5084484583053562
Energy: 1.0841573719488369
Energy: 1.1491785661955511
Energy: 0.507182453082238
Energy: 1.6915793618087562
Energy: 1.1509582516333579
Energy: 0.5316637095429987
Energy: 0.5130659795037601
Energy: 0.38013569305862244
Energy: 0.5099642110878851
Energy: 1.093881059979132
Energy: 1.1332559112695633
Energy: 0.5148300596795419
Energy: 0.5042178907283731
Energy: 1.1260943182426109
Energy: 0.5118061251551046
Energy: 1.1212393535328857
Energy: 1.1290492150259401
Energy: 0.513877934769228
Energy: 0.5061940067564845
Energy: 1.1541800911476463
Energy: 0.5303760867052139
Energy: 1.096827995924275
Energy: 1.1226975279697748
Energy: 1.088499792108247
Energy: 0.5057273681057548
Energy: 1.0048268171009826
Energy: 0.5070641908062936
Energy: 1.1193709500477558
Energy: 1.1495422866496405
Energy: 1.090948394076136
Energy: 0.5088408091710506
Energy: 1.1197476026242121
Energy: 0.5065552805459518
Energy: 1.0896508452113132
Energy: 1.7430555222247581
Energy: 0.5087177177496836
Energy: 1.0829684877855257
Energy: 1.1561983897239292
Energy: 1.083042790362609
Energy: 1.1045609523060478

minimum gb energy = 0.38013569305862244 eV
minimum distance =  2.3869682809213 Angstroms
sigma value = 11


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

Energy: 1.322344392500621
Energy: 1.353252218862979
Energy: 1.3517871360458065
Energy: 1.5171943675700612
Energy: 1.3526353613936877
Energy: 1.3266045904073689
Energy: 1.3502127024392039
Energy: 1.3502356815862582
Energy: 1.3416834904271526
Energy: 1.340856307011808
Energy: 1.3935257377789905
Energy: 1.3500322654738657
Energy: 1.3520036368866974
Energy: 1.3430616806640108
Energy: 1.3997438595973555
Energy: 1.3357960681939804
Energy: 1.346996571011987
Energy: 1.348169919729937
Energy: 1.3455437594173443
Energy: 1.3494323609329004
Energy: 1.3416688752230055
Energy: 1.3456195259206931
Energy: 1.34793301106895
Energy: 1.351290864614382
Energy: 1.3466719544086199
Energy: 1.3506695573819811
Energy: 1.3960029481736689
Energy: 1.3408516574154876
Energy: 1.3496015102009045
Energy: 1.3515291502861173
Energy: 1.3498070857342668
Energy: 1.3467991505686363
Energy: 1.3963166104003457
Energy: 1.3415636084293197
Energy: 1.393893226357174
Energy: 1.3481015398688847
Energy: 1.3382822532747396
Energy: 1.3508396746446145
Energy: 1.3403325318016088
Energy: 1.3447871041794015
Energy: 1.3398858507944496
Energy: 1.3300170740062196
Energy: 1.3402739652074016
Energy: 1.3969575301813155
Energy: 1.3457857714080892
Energy: 1.3518684564161818
Energy: 1.3448542852909615
Energy: 1.3305929937560481
Energy: 1.3521473175980745
Energy: 1.3457968406585292
Energy: 1.3440262000344092
Energy: 1.331339336672353
Energy: 1.348795945942906
Energy: 1.3472280173200473
Energy: 1.3485897408498009
Energy: 1.3506692138538081
Energy: 1.399645662926707
Energy: 1.3313283710269583
Energy: 1.3492013747980411
Energy: 1.3507803214431615
Energy: 1.3471588470483096
Energy: 1.3508541200009354
Energy: 1.3483907583236292
Energy: 1.3548811279508468
Energy: 1.4005325203611276
Energy: 1.3499853753377014
Energy: 1.347815464642912
Energy: 1.396079509639509
Energy: 1.3517686076291173
Energy: 1.3474928414424314
Energy: 1.394823187629792
Energy: 1.3498342015465088
Energy: 1.3457252958646286
Energy: 1.3491554625550206
Energy: 1.3494742115626008
Energy: 1.3476291198050065
Energy: 1.350071890811761
Energy: 1.3463145626128754
Energy: 1.3296360055470362
Energy: 1.348632858317777
Energy: 1.344245673265277
Energy: 1.3515563018452224
Energy: 1.3462188637606893
Energy: 1.3897663521150534
Energy: 1.3497361708820865
Energy: 1.3934360490743778
Energy: 1.35072755773273
Energy: 1.3494850026935086
Energy: 1.3502147667688402
Energy: 1.3419689977597729
Energy: 1.3490681757114968
Energy: 1.3485039572907085
Energy: 1.3354099186297022
Energy: 1.3213641911324994
Energy: 1.3467797385916747
Energy: 1.3492532355742306
Energy: 1.3404463320669602
Energy: 1.3424070259964629
Energy: 1.3517202813273748
Energy: 1.3430777002118
Energy: 1.3500388181605194
Energy: 1.341464509404215
Energy: 1.3343081551137246
Energy: 1.3988998417712055
Energy: 1.348519601155807
Energy: 1.350539151746785
Energy: 1.3488330010022491
Energy: 1.3352902248071232
Energy: 1.34105762210505
Energy: 1.34902490344398
Energy: 1.349463793517672
Energy: 1.3474628650207907
Energy: 1.3489965182563846
Energy: 1.341426572368122
Energy: 1.3407483594316136
Energy: 1.3500695190728007
Energy: 1.3517987084483203
Energy: 1.3479294760921994
Energy: 1.3511338897837575
Energy: 1.3423690958240428
Energy: 1.3416981472901255
Energy: 1.3437869191294216
Energy: 1.3477070688692567
Energy: 1.3495607314571547
Energy: 1.3465624506046494
Energy: 1.3410199535963152
Energy: 1.3443855532521203
Energy: 1.3405610461724118
Energy: 1.3508501099521901
Energy: 1.3367160536735052
Energy: 1.3508814694596933
Energy: 1.3411165166393235
Energy: 1.3504607772251402
Energy: 1.3464191918208173
Energy: 1.3288807179346174
Energy: 1.327657004973375
Energy: 1.3407132716870063
Energy: 1.3475197900177582
Energy: 1.3320284259071125
Energy: 1.34979598001857
Energy: 1.3460947153087082
Energy: 1.3530302905062468
Energy: 1.3507508552551202
Energy: 1.3316174304603883
Energy: 1.3309849425388374
Energy: 1.348425269366667
Energy: 1.3498724207999127
Energy: 1.349488818471821
Energy: 1.3504071733708798
Energy: 1.3326616187484184
Energy: 1.3537721269025833
Energy: 1.4014103315322506
Energy: 1.3515329932720428
Energy: 1.3473691915086963
Energy: 1.3507332649051336
Energy: 1.3490010459739792
Energy: 1.3475099764982794
Energy: 1.3966046733780015
Energy: 1.3501614763507221
Energy: 1.3476191160727637
Energy: 1.3951196185150385
Energy: 1.3505050977792166
Energy: 1.3473678102460975
Energy: 1.3523829051878213
Energy: 1.34812819513963
Energy: 1.3466177100513854
Energy: 1.3483409219366922
Energy: 1.350094673116668
Energy: 1.350514699833977
Energy: 1.3467000504514097
Energy: 1.3475560023387583
Energy: 1.328810881158356
Energy: 1.353537983076857
Energy: 1.3468280280844886
Energy: 1.350444117254967
Energy: 1.3503215982289172
Energy: 1.3439577545413914
Energy: 1.3498616488524622
Energy: 1.3499188568343432
Energy: 1.345720527026942
Energy: 1.3194960014505037
Energy: 1.3511185350169712
Energy: 1.347778956043595
Energy: 1.350254872745156
Energy: 1.3469274856668987
Energy: 1.33575500896411

minimum gb energy = 1.3194960014505037 eV
minimum distance =  2.26504940714996 Angstroms
sigma value = 57


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

Energy: 3.080347182805238
Energy: 1.7179861236857643
Energy: 1.7190477203042585
Energy: 1.717860746013257
Energy: 1.7192560801519354
Energy: 1.6917711463678817
Energy: 1.6607710347899733
Energy: 1.6841482108604249
Energy: 1.6614957224696378
Energy: 1.6587099836926027
Energy: 1.6825422453747418
Energy: 1.6608436308826102
Energy: 1.6593691195316684
Energy: 1.6604575641918244
Energy: 1.683477738465004
Energy: 1.639982749202337
Energy: 1.682172870348563
Energy: 1.6609346358665458
Energy: 1.6599675914194953
Energy: 1.6610160409766255
Energy: 1.684333891138807
Energy: 1.6605511715397772
Energy: 1.6626282888071056
Energy: 1.660846238862876
Energy: 1.6609179890493084
Energy: 1.6613200288183045
Energy: 1.6854885706465803
Energy: 1.6583458076921904
Energy: 1.6828229188212622
Energy: 1.661712024287282
Energy: 1.6760444534737702
Energy: 1.6603955420410148
Energy: 1.6835111224706683
Energy: 1.6575630235256233
Energy: 1.682570652586367
Energy: 1.6617114794205552
Energy: 1.6510054740458469
Energy: 1.6834495009044204
Energy: 1.660078486745483
Energy: 1.6590110461880954
Energy: 1.6599147469510969
Energy: 1.6871968508938984
Energy: 1.664821651210122
Energy: 1.6832079281816148
Energy: 1.6591395531313
Energy: 1.658777446928191
Energy: 1.6595327093465289
Energy: 1.6827057792313844
Energy: 1.6592120483696973
Energy: 1.6613201884032547
Energy: 1.6400167811612294
Energy: 1.6389915144778116
Energy: 1.6829473799900663
Energy: 1.660331344449764
Energy: 1.6581426214640735
Energy: 1.6595361350575832
Energy: 1.6402218065369667
Energy: 1.6383257137294103
Energy: 1.6826397585366313
Energy: 1.6674522436348815
Energy: 1.6396095627777296
Energy: 1.6837931529454844
Energy: 1.662308359037849
Energy: 1.660070785322575
Energy: 1.6835223821546035
Energy: 1.6830716273012782
Energy: 1.6392954330652287
Energy: 1.6835012643314573
Energy: 1.6619510934384616
Energy: 1.6607898226135451
Energy: 1.6609016169244566
Energy: 1.681981119422126
Energy: 1.659459324271173
Energy: 1.6830409649638354
Energy: 1.661507101529189
Energy: 1.6604936728036364
Energy: 1.6614148936510915
Energy: 1.6600090811833
Energy: 1.675357107496806
Energy: 1.6848725506740923
Energy: 1.6609027835221783
Energy: 1.6615592744405103
Energy: 1.6593804184321168
Energy: 1.6837982235483322
Energy: 1.6584495664044399
Energy: 1.66044615222635
Energy: 1.6841937803427816
Energy: 1.6603647752819481
Energy: 1.6834376740882404
Energy: 1.66066395107816
Energy: 1.7179912744574155
Energy: 1.661831496402645
Energy: 1.6593165549209008
Energy: 1.6525479873669315
Energy: 1.66058943279281
Energy: 1.7190781391259167
Energy: 1.6388295352569306
Energy: 1.6615507002857115
Energy: 1.6607595491917686
Energy: 1.661123975221317
Energy: 1.6829801181255242
Energy: 1.6606446220119764

minimum gb energy = 1.6383257137294103 eV
minimum distance =  2.26406687433418 Angstroms
sigma value = 9


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

Energy: 3.2198828850447225
Energy: 1.5858763802130265
Energy: 1.5960546067797379
Energy: 1.5864229242729309
Energy: 1.5883199535396402
Energy: 1.484835529779561
Energy: 1.5855871337755822
Energy: 1.5195477168977207
Energy: 1.5943166407500415
Energy: 1.6058590762114116
Energy: 1.5169072084590889
Energy: 1.595898082309185
Energy: 1.5888441169417227
Energy: 1.5890641811144774
Energy: 1.4799588070109997
Energy: 1.4789702588205635
Energy: 1.5234398809134595
Energy: 1.5944442704123594
Energy: 1.589053179166503
Energy: 1.5894357770475525
Energy: 1.5189899125484654
Energy: 1.5937941872717467
Energy: 1.5183637244842967
Energy: 1.594415774086296
Energy: 1.586181784998943
Energy: 1.5876640882679405
Energy: 1.5894398362210822
Energy: 1.5882653888418412
Energy: 1.589604408425886
Energy: 1.591698013520457
Energy: 1.5943205360690167
Energy: 1.5967303417269316
Energy: 1.590595525639929
Energy: 1.5888615013474365
Energy: 1.5873854450804175
Energy: 1.600184992710547
Energy: 1.6031761621217868
Energy: 1.518165107975765
Energy: 1.5912098297160757
Energy: 1.5894229082169653
Energy: 1.5894720239950229
Energy: 1.5218549704301256
Energy: 1.6033718627946694
Energy: 1.519592991252205
Energy: 1.5900427272452553
Energy: 1.5852199800656028
Energy: 1.5220367312785477
Energy: 1.5223149415782238
Energy: 1.5858719556503988
Energy: 1.5885180410932829
Energy: 1.5214648524597054
Energy: 1.594101574862458
Energy: 1.5950769608343023
Energy: 1.596215494053519
Energy: 1.5797699308827065
Energy: 1.5956893647294528
Energy: 1.5212939751824919
Energy: 1.594560181992795
Energy: 1.519203057320089
Energy: 1.590790187939112
Energy: 1.6705348843271313
Energy: 1.5191789684008299
Energy: 1.5917901587541607
Energy: 1.579680339070533
Energy: 1.587922319284016
Energy: 1.4787319365375613
Energy: 1.6717693003044485
Energy: 1.5194440905304958
Energy: 1.5972944110578458
Energy: 1.5955791420885337
Energy: 1.5887198013031623
Energy: 1.6191770727840975
Energy: 1.5848711543660767
Energy: 1.5891093238822696
Energy: 1.521897182138977
Energy: 1.4827052641658958
Energy: 1.5193107059517057
Energy: 1.591876665180512
Energy: 1.5884870485975655
Energy: 1.5949145963768154
Energy: 1.5198360377512161
Energy: 1.4787927326352321
Energy: 1.5174830823105114
Energy: 1.591402159942513
Energy: 1.5875428450873845
Energy: 1.5874086996321803
Energy: 1.6046345434308642
Energy: 1.5939726063996802
Energy: 1.5207433815415736
Energy: 1.595142756929941
Energy: 1.5874185878834937
Energy: 1.5888358891852397
Energy: 1.5920715012910343
Energy: 1.5845645341698082
Energy: 1.5884076084034715
Energy: 1.5941062863587898
Energy: 1.6038229687478356
Energy: 1.5204132153564707
Energy: 1.5914574250276101
Energy: 1.5902550460710316
Energy: 1.5892962873626315
Energy: 1.592904613196364
Energy: 0.5617073774776649
Energy: 1.527020618013471
Energy: 1.5935528215917512
Energy: 1.590841136174261
Energy: 1.589351985204415
Energy: 1.5181393066782856
Energy: 1.602006733700419
Energy: 1.5959304939512753
Energy: 1.524390333401851
Energy: 1.588171262682747
Energy: 1.5162591098175462
Energy: 1.6105224039216735
Energy: 1.5867906371406146
Energy: 1.5881522069459064
Energy: 1.5936368723603889
Energy: 1.5842809337028267
Energy: 1.5872547189482664
Energy: 1.585094358790974
Energy: 1.6705622066449277
Energy: 1.520308547457786
Energy: 1.5974030195453348
Energy: 1.5862764768565096
Energy: 1.5234773988038555
Energy: 1.5941752128835682

minimum gb energy = 0.5617073774776649 eV
minimum distance =  2.26851671786903 Angstroms
sigma value = 27


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

Energy: 1.7406545145153403
Energy: 1.6157297030631053
Energy: 1.6121313597101556
Energy: 1.655658867539965
Energy: 1.6138274174212726
Energy: 1.6397464598526232
Energy: 1.6554749748740918
Energy: 1.6106658518778278
Energy: 1.641156406561836
Energy: 1.6089876710605673
Energy: 1.6115117365097233
Energy: 1.6396542867476391
Energy: 1.6081882405239227
Energy: 1.6140134957257266
Energy: 1.6074608040302074
Energy: 1.6114415840587009
Energy: 1.6094056914517285
Energy: 1.6137157553205541
Energy: 1.610848982302921
Energy: 1.613659877432351
Energy: 1.6095563918601794
Energy: 1.6561760111033206
Energy: 1.610129904444644
Energy: 1.6142894502252985
Energy: 1.6798686675892363
Energy: 1.78667218791241
Energy: 1.639938141169354
Energy: 1.6395288081073367
Energy: 1.7767911072637497
Energy: 1.7847905280382814
Energy: 1.6105157253707079
Energy: 1.6095651266233977
Energy: 1.6417127857290288
Energy: 1.6407341748210114
Energy: 1.7760564039866054
Energy: 1.6159877910412375
Energy: 1.6076199224526044
Energy: 1.7857437144613406
Energy: 1.7757436392276125
Energy: 1.636821259050147
Energy: 1.7786030991548067
Energy: 1.6128461934579876
Energy: 1.6073756236817218
Energy: 1.6509337448020363
Energy: 1.6414559093188754
Energy: 1.636676853985669
Energy: 1.6122549691178971
Energy: 1.6120443080327829
Energy: 1.6122872944701483
Energy: 1.6105952346398362
Energy: 1.6096186485452302
Energy: 1.6099400878057326
Energy: 1.6119070044745885
Energy: 1.611827515905639
Energy: 1.6074870661895149
Energy: 1.611867726745731
Energy: 1.65002181450548
Energy: 1.6107058144885493
Energy: 1.6102540293632814
Energy: 1.613548853050729
Energy: 1.6100226928510482
Energy: 1.637223511626516
Energy: 1.639372519306945
Energy: 1.6098387765274789
Energy: 1.6390867687278918
Energy: 1.651209289247673
Energy: 1.610487604537112
Energy: 1.610503464868769
Energy: 1.6410043716436338
Energy: 1.637659886194079
Energy: 1.6377125498927638
Energy: 1.6180403746456538
Energy: 1.6550150518335789
Energy: 1.6167423837361619
Energy: 1.6094539322683832
Energy: 1.6101635467497373
Energy: 1.6389497968753481
Energy: 1.6124973332407204
Energy: 1.6119730869295483
Energy: 1.643882841625356
Energy: 1.6515617175085966
Energy: 1.6093512712298954
Energy: 1.6101291232119506
Energy: 1.6402175197399438
Energy: 1.6062039997452093
Energy: 1.609565991670699
Energy: 1.6146643991494216
Energy: 1.6082750512907122
Energy: 1.6128784362539441
Energy: 1.6088900745453638
Energy: 1.6071261811638893
Energy: 1.6098919720493639
Energy: 1.609942177164922
Energy: 1.6120326377254899
Energy: 1.6158712177755623
Energy: 1.6174645062221076
Energy: 1.63934825805822
Energy: 1.6377489088051755
Energy: 1.784407270798518
Energy: 1.6082135933971673
Energy: 1.7858901557310218
Energy: 1.6432833535878144
Energy: 1.6588975576426168
Energy: 1.7776191196386815
Energy: 1.6130598856151241
Energy: 1.6081622509469198
Energy: 1.6456645825508522
Energy: 1.7754378236665158
Energy: 1.6335881939567
Energy: 1.7768748947216455
Energy: 1.6130986036492099
Energy: 1.6080998304947198
Energy: 1.7766118149516197
Energy: 1.7748795656479974
Energy: 1.638772484962752
Energy: 1.6378883509787843
Energy: 1.7860930543214502
Energy: 1.6078260887237221
Energy: 1.7859209473804267
Energy: 1.6456026391768612
Energy: 1.6098284638831244
Energy: 1.6097303387564843
Energy: 1.6204632747317784
Energy: 1.6120762085686997
Energy: 1.6102171316818124
Energy: 1.6173931669792352
Energy: 1.6089318553710465
Energy: 1.6094679299866865
Energy: 1.6153890198592298
Energy: 1.6083865522614953
Energy: 1.6124231320220848
Energy: 1.6097295369597857
Energy: 1.6097189643917114
Energy: 1.6435197734906986
Energy: 1.6131029325389552
Energy: 1.6107594359978286
Energy: 1.6101012544118096
Energy: 1.610037939450823
Energy: 1.6571483315353521
Energy: 1.616437440256417
Energy: 1.6106457415170368
Energy: 1.6117062339259935
Energy: 1.6383820816979293
Energy: 1.6114494921499054
Energy: 1.6084966591814434
Energy: 1.648489195973138
Energy: 1.6412193619489766
Energy: 1.6547308047388831
Energy: 1.6377877475636384
Energy: 1.608758061727207

minimum gb energy = 1.6062039997452093 eV
minimum distance =  2.30713003389707 Angstroms
sigma value = 19


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

Energy: 1.53987608809575
Energy: 1.537048197947673
Energy: 1.541615269157351
Energy: 1.545237529720371
Energy: 1.5418814190831898
Energy: 1.5063417158190688
Energy: 1.5450114009119331
Energy: 1.5268966999557751
Energy: 1.5253248814148461
Energy: 1.5173054247833235
Energy: 1.4816631792966792
Energy: 1.5493943229559657
Energy: 1.526463923580507
Energy: 1.5281579993930585
Energy: 1.5022574941151272
Energy: 1.5021279914302685
Energy: 1.527096338185696
Energy: 1.5276221069220834
Energy: 1.52776909149612
Energy: 1.5274314634637352
Energy: 1.51690520154495
Energy: 1.5172558833219782
Energy: 1.5169633251164816
Energy: 1.5268325393203581
Energy: 1.508718000358989
Energy: 1.5227406790397013
Energy: 1.5239297663394087
Energy: 1.5235582286948006
Energy: 1.5236928688057245
Energy: 1.520842573526906
Energy: 1.5265245167914077
Energy: 1.5264276776861587
Energy: 1.5250675174742276
Energy: 1.5225808347762437
Energy: 1.52414474567921
Energy: 1.5262354742070496
Energy: 1.5268865785621624
Energy: 1.5759495176159601
Energy: 1.6892184836814774
Energy: 1.6701511805658251
Energy: 1.5744023512528682
Energy: 1.709338563934871
Energy: 1.526374419771265
Energy: 1.567977420334363
Energy: 1.5247555388889276
Energy: 1.5241099391045636
Energy: 1.5244873661178553
Energy: 1.5279782429824587
Energy: 1.4548020138967543
Energy: 1.6094051732301833
Energy: 1.6094902774860018
Energy: 1.5178569075621775
Energy: 1.6090336971894805
Energy: 1.6250633190531167
Energy: 1.527483809603163
Energy: 1.536708147674925
Energy: 1.5193294890415074
Energy: 1.5246646729884534
Energy: 1.6091992714697105
Energy: 1.5269061761168266
Energy: 1.516901703815766
Energy: 1.5245089148598476
Energy: 1.5230772248218334
Energy: 1.5252143148348303
Energy: 1.5233439580091241
Energy: 1.524791836508576
Energy: 1.5365081124727185
Energy: 1.5251089446479114
Energy: 1.517951133876072
Energy: 1.5168715654060818
Energy: 1.4751754213489177
Energy: 1.52832833343229
Energy: 1.4725735948925083
Energy: 1.4897119373172507
Energy: 1.5066935336383773
Energy: 1.5070912004396602
Energy: 1.475812011062866
Energy: 1.4744229002543456
Energy: 1.4934908218397358
Energy: 1.4906616972744267
Energy: 1.4752344501143715
Energy: 1.5089713961300681
Energy: 1.4717947158336198
Energy: 1.4745053797825711
Energy: 1.493511006111786
Energy: 1.4752987741350765
Energy: 1.5180380665344488
Energy: 1.5173474086772905
Energy: 1.516812232977288
Energy: 1.4759864110422145
Energy: 1.4900758745329497
Energy: 1.474995734175264
Energy: 1.47462476322592
Energy: 1.526484091555423
Energy: 1.4749401856636366
Energy: 1.47323533757147
Energy: 1.4746558408565866
Energy: 1.4738805359512364
Energy: 1.502334384734431
Energy: 1.500536848526617
Energy: 1.4912988632499986
Energy: 1.4744342623702298
Energy: 1.538211018215315
Energy: 1.5365690061164055
Energy: 1.4747606751126017
Energy: 1.4995917956066045
Energy: 1.536719572178253
Energy: 1.5365151920401756
Energy: 1.5085398685453144
Energy: 1.5165821252827991
Energy: 1.5184416123642026
Energy: 1.5223094935623647
Energy: 1.516814860745554
Energy: 1.5187735280957606
Energy: 1.5365811113795755
Energy: 1.5200401479714842
Energy: 1.5176899216146256
Energy: 1.5198152888676717
Energy: 1.516996309354511
Energy: 1.4744565580760063
Energy: 1.5482417143896967
Energy: 1.6971317464205034
Energy: 1.6307086709026068
Energy: 1.5246764986390706
Energy: 1.6317307028963717
Energy: 1.5478998418227121
Energy: 1.5463842416945441
Energy: 1.6321318220196601
Energy: 1.5197237308734537
Energy: 1.518454198000087
Energy: 1.6305805372365163
Energy: 1.6314363538732526
Energy: 1.5384466868261384
Energy: 1.5372248180888415
Energy: 1.5169691993077892
Energy: 1.5182045448472734
Energy: 1.537167719245178
Energy: 1.5370331004016766
Energy: 1.5477159559848883
Energy: 1.548663990202732
Energy: 1.6843014060469312
Energy: 1.5347619699001107
Energy: 1.538980324929309
Energy: 1.548361747091248
Energy: 1.5287084987173072
Energy: 1.4812158907658293
Energy: 1.516854797220206
Energy: 1.5203274864414726
Energy: 1.482053385281132
Energy: 1.5720868501365173
Energy: 1.5167829502117105
Energy: 1.5174604726251608
Energy: 1.5213301515058522
Energy: 1.5399865553519156
Energy: 1.5214033083633403
Energy: 1.7093420832915822
Energy: 1.5277760018821909
Energy: 1.5492776659049912
Energy: 1.5599465368112917
Energy: 1.5090327995123975
Energy: 1.5263182798322081
Energy: 1.527922259761355
Energy: 1.5500177663623043
Energy: 1.5271206246751112
Energy: 1.5068070925272308
Energy: 1.5067332085585576
Energy: 1.549551113894598
Energy: 1.5297738101289586
Energy: 1.513534283430285
Energy: 1.516960255992616
Energy: 1.5357048848656079
Energy: 1.5261069364956317
Energy: 1.5257543558695614
Energy: 1.5119896822139574

minimum gb energy = 1.4548020138967543 eV
minimum distance =  2.28035081841523 Angstroms
sigma value = 101


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

Energy: 1.496499344841531
Energy: 1.4674049855555342
Energy: 1.466581790872407
Energy: 1.4652049852041802
Energy: 1.4663373433723568
Energy: 1.4666236533434727
Energy: 1.474113256328991
Energy: 1.4592198012718365
Energy: 1.4706583746958808
Energy: 1.4579555742473245
Energy: 1.4583786775301255
Energy: 1.4680515530160354
Energy: 1.4686718074780956
Energy: 1.4596862564485868
Energy: 1.4538374549970197
Energy: 1.4550492793001983
Energy: 1.4616187350331358
Energy: 1.4593074209030619
Energy: 1.4643780310645491
Energy: 1.4581736597631771
Energy: 1.4602052229293838
Energy: 1.4627775573465038
Energy: 1.4621304066007246
Energy: 1.4581231960498287
Energy: 1.4735090884213535
Energy: 1.476981194686671
Energy: 1.474820952362555
Energy: 1.4761870977095168
Energy: 1.47523268547174
Energy: 1.4543159868879971
Energy: 1.4623401085410617
Energy: 1.4565327966829653
Energy: 1.478230295398659
Energy: 1.4742570725918889
Energy: 1.4760207582064844
Energy: 1.4696203689371388
Energy: 1.4610891064782134
Energy: 1.6110814891582228
Energy: 1.6135610436059058
Energy: 1.621637959833188
Energy: 1.6136925588979627
Energy: 1.4619296801803805
Energy: 1.4628461942291189
Energy: 1.4586771732504398
Energy: 1.475593343615446
Energy: 1.4749018225350892
Energy: 1.4759845062288393
Energy: 1.458934159673697
Energy: 1.462043520880578
Energy: 1.6111898120664536
Energy: 1.6127294569058521
Energy: 1.4638375287039471
Energy: 1.6127062903716778
Energy: 1.6096145052707806
Energy: 1.4610721244948557
Energy: 1.45839290824393
Energy: 1.4761490742826706
Energy: 1.4625918123009496
Energy: 1.612719807474142
Energy: 1.46775615013831
Energy: 1.468588001609621
Energy: 1.476574501849168
Energy: 1.4611305148537372
Energy: 1.4745075632734617
Energy: 1.4761696952637693
Energy: 1.4761354149306687
Energy: 1.4695667569202502
Energy: 1.4596955545152799
Energy: 1.4770639583285539
Energy: 1.4637155383885658
Energy: 1.4620231586098515
Energy: 1.4579855699156687
Energy: 1.4634662439430546
Energy: 1.4603354324148186
Energy: 1.4607229017200245
Energy: 1.466899380148695
Energy: 1.4608155176813176
Energy: 1.4600877612258603
Energy: 1.4673183261887452
Energy: 1.460279342618124
Energy: 1.4556923350989346
Energy: 1.461798663713801
Energy: 1.4588626475968829
Energy: 1.4783949924238602
Energy: 1.4513899958181633
Energy: 1.476586798159548
Energy: 1.4653744911399313
Energy: 1.4641552694617777
Energy: 1.4773474017119657
Energy: 1.4582264552112045
Energy: 1.4567885138195895
Energy: 1.5010458082966935
Energy: 1.4663549301792673
Energy: 1.4755179888118966
Energy: 1.474880698698223
Energy: 1.4702485868088604
Energy: 1.4673324692633842
Energy: 1.45970094777096
Energy: 1.4540594726367184
Energy: 1.472141111972179
Energy: 1.4595464150769126
Energy: 1.473161446373442
Energy: 1.4679284027627866
Energy: 1.4754842432705264
Energy: 1.4568783864132981
Energy: 1.4683481582367062
Energy: 1.4599877904434966
Energy: 1.467349268919679
Energy: 1.4727907427310438
Energy: 1.461307883236895
Energy: 1.4588189503683264
Energy: 1.4733342386965997
Energy: 1.4602041245446347
Energy: 1.461262075887154
Energy: 1.4597708791648514
Energy: 1.501073308490704
Energy: 1.4582073474850301
Energy: 1.462873917451224
Energy: 1.458131285433454
Energy: 1.4578213336625023
Energy: 1.4747823343708424
Energy: 1.4751637957006982
Energy: 1.4761971561139449
Energy: 1.4649138261896655
Energy: 1.4769589383704764
Energy: 1.4808000406481754
Energy: 1.4756669244179423
Energy: 1.4760614680337871
Energy: 1.4581832460397006
Energy: 1.4653512319800068
Energy: 1.4608114871851325
Energy: 1.481142062247103
Energy: 1.4632463116189074
Energy: 1.6115845565782
Energy: 1.4592833356095218
Energy: 1.4648283141651426
Energy: 1.612548775778132
Energy: 1.612441466881379
Energy: 1.474708118018549
Energy: 1.4769087855379
Energy: 1.610889332526506
Energy: 1.461472869368236
Energy: 1.6125896037132206
Energy: 1.4798620754808611
Energy: 1.462911409531072
Energy: 1.6105367577835565
Energy: 1.6102708111796962
Energy: 1.4624502141331994
Energy: 1.731638331500454
Energy: 1.4757674170333268
Energy: 1.463163947328933
Energy: 1.6129227641892636
Energy: 1.4542051675782637
Energy: 1.4640403792431955
Energy: 1.611515923332601
Energy: 1.6124253821953938
Energy: 1.4762831000274999
Energy: 1.4791147141644696
Energy: 1.4821024562361051
Energy: 1.4700217546544156
Energy: 1.4757165472785168
Energy: 1.4773605654009039
Energy: 1.4626905774806758
Energy: 1.4765705741468447
Energy: 1.4750912310589723
Energy: 1.4686929218890168
Energy: 1.476804323026391
Energy: 1.4773184336220968
Energy: 1.4646010696482241
Energy: 1.4599856787402772
Energy: 1.457934550642413
Energy: 1.4627713925684274
Energy: 1.4582800249480317
Energy: 1.4586433541392814
Energy: 1.4656357259719757
Energy: 1.4602517554957153
Energy: 1.459920080617725
Energy: 1.4773134158681
Energy: 1.4752204192741531
Energy: 1.4559368579504113
Energy: 1.4643959970126634
Energy: 1.4696458801165435
Energy: 1.4614430553432711
Energy: 1.4545926479316709
Energy: 1.4771618597243974
Energy: 1.465746738619603
Energy: 1.4729140231465037
Energy: 1.4647102757650328
Energy: 1.4587753560700143
Energy: 1.4519131920653239
Energy: 1.477013078868292
Energy: 1.4710893661385485
Energy: 1.4682924593241191
Energy: 1.4596316337988038
Energy: 1.4652150997930407
Energy: 1.4721845056479705
Energy: 1.4597807358630588
Energy: 1.4578298155556115

minimum gb energy = 1.4513899958181633 eV
minimum distance =  2.31671521776197 Angstroms
sigma value = 33


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

Energy: 0.014309069885124691
Energy: 0.029458209343413377
Energy: 0.030344432535557592
Energy: 0.03086651653698796
Energy: 0.029373850033305015
Energy: 0.019994728243023355
Energy: 0.14237546002592524
Energy: 0.14716187178666015
Energy: 0.14610264489125915
Energy: 0.1427833704397217
Energy: 0.14839083198463063
Energy: 0.14451848653003235
Energy: 0.9602972775719563
Energy: 0.028524130319924575
Energy: 0.021841240830449114
Energy: 0.015274758339237806
Energy: 0.02937968877947255
Energy: 0.03059319341216239
Energy: 0.014973166311952496
Energy: 0.1471618717893988
Energy: 0.14610264488574273
Energy: 0.1427833704397217
Energy: 0.14839083197774494
Energy: 0.1445184865314017

minimum gb energy = 0.014309069885124691 eV
minimum distance =  2.45845368416024 Angstroms
sigma value = 1