Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338475299679
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.013216275653798898
Energy: 0.013603858061373134
Energy: 0.44047330434750787
Energy: 0.013603858060399023
Energy: 0.013216275653798898
Energy: 0.013603858060399023
Energy: 0.013603858060899993
Energy: 3.0179973058676066
Energy: 0.013603858061373134
Energy: 3.0179973058685805
Energy: 0.013603858061373134
Energy: 3.017997305868079
Energy: 0.44047330434750787
Energy: 0.013603858060899993
Energy: 0.013216275653798898
Energy: 0.013603858060899993
Energy: 0.44047330434750787
Energy: 0.013603858060899993
Energy: 0.013603858061373134
Energy: 3.0179973058690814
Energy: 0.013603858061373134
Energy: 3.0179973058685805
Energy: 0.013603858061373134
Energy: 3.0179973058685805
Energy: 0.01321627565429987
Energy: 0.013603858060399023
Energy: 0.44047330434750787
Energy: 0.013603858060899993
Energy: 0.01321627565429987
Energy: 0.013603858060899993
Energy: 0.013603858060899993
Energy: 3.0179973058690814
Energy: 0.013603858061373134
Energy: 3.0179973058676066
Energy: 0.013603858060899993
Energy: 3.0179973058690814

minimum gb energy = 0.013216275653798898 eV
minimum distance =  2.42391149090346 Angstroms
sigma value = 1


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

Energy: 1.3464979565672892
Energy: 1.6031718380259563
Energy: 1.26734444900789
Energy: 1.6031718380259563
Energy: 1.3464979565648776
Energy: 1.6031718380259563
Energy: 1.3503959866842261
Energy: 1.4759257211008527
Energy: 1.8165063339789875
Energy: 1.4759257211020587
Energy: 1.350395986685432
Energy: 1.4759257211008527
Energy: 1.2480200061770605
Energy: 1.5294348718424708
Energy: 1.344195585509179
Energy: 1.5294348718424708
Energy: 1.2480200061758546
Energy: 1.5294348718424708
Energy: 1.3787363540316582
Energy: 1.4135681871439316
Energy: 1.630467207489375
Energy: 1.4135681871451378
Energy: 1.3787363540328639
Energy: 1.4135681871451378
Energy: 1.3793244002664722
Energy: 1.5946839280908813
Energy: 1.3775466108963959
Energy: 1.5946839280908813
Energy: 1.3793244002664722
Energy: 1.5946839280908813
Energy: 1.3424920582522446
Energy: 1.473778891235405
Energy: 1.2448013079231608
Energy: 1.473778891235405
Energy: 1.3424920582522446
Energy: 1.473778891235405
Energy: 1.3425513320900955
Energy: 1.609192774541029
Energy: 1.2440045110354392
Energy: 1.609192774541029
Energy: 1.3425513320900955
Energy: 1.609192774541029
Energy: 1.5928154350561048
Energy: 1.6392178534048465
Energy: 1.6092863771319423
Energy: 1.6392178534048465
Energy: 1.5928154350561048
Energy: 1.6392178534048465
Energy: 1.4770992328589183
Energy: 1.405103384353605
Energy: 1.2801449346759404
Energy: 1.405103384353605
Energy: 1.4770992328589183
Energy: 1.405103384352399
Energy: 1.3461224390056756
Energy: 1.5336247915853696
Energy: 1.2444270180180852
Energy: 1.5336247915853696
Energy: 1.3461224390056756
Energy: 1.5336247915853696
Energy: 1.420951981896315
Energy: 1.9420570894060616
Energy: 1.5651901069094916
Energy: 1.9420570894072673
Energy: 1.420951981896315
Energy: 1.9420570894060616
Energy: 1.2594541478939765
Energy: 1.5893921350118465
Energy: 1.2594421312270911
Energy: 1.5893921350118465
Energy: 1.2594541478951824
Energy: 1.5893921350130524
Energy: 1.5649829650704703
Energy: 1.9420570894060616
Energy: 1.4209266927332012
Energy: 1.9420570894060616
Energy: 1.5649829650692646
Energy: 1.9420570894072673
Energy: 1.2471170379175147
Energy: 1.533699442512494
Energy: 1.3447696257481225
Energy: 1.5336994425112882
Energy: 1.2471170379163088
Energy: 1.5336994425112882
Energy: 1.2543487914990454
Energy: 1.4084446469210063
Energy: 1.4768074292020679
Energy: 1.408444646922212
Energy: 1.2543487914978395
Energy: 1.4084446469210063
Energy: 1.6091728726294996
Energy: 1.6395250153954655
Energy: 1.5925654191467893
Energy: 1.6395250153930534
Energy: 1.6091728726294996
Energy: 1.6395250153942598
Energy: 1.2443330063294817
Energy: 1.6090962016979617
Energy: 1.3429370830402367
Energy: 1.6090962016979617
Energy: 1.2443330063294817
Energy: 1.6090962016979617
Energy: 1.244605682522868
Energy: 1.4738119361523494
Energy: 1.3423220621974608
Energy: 1.4738119361535553
Energy: 1.244605682522868
Energy: 1.4738119361511435
Energy: 1.3795676782426065
Energy: 1.595032224724787
Energy: 1.3792852313885284
Energy: 1.595032224725993
Energy: 1.3795676782426065
Energy: 1.595032224725993
Energy: 1.6303198893869397
Energy: 1.4133758217037689
Energy: 1.4981422785337977
Energy: 1.4133758217025627
Energy: 1.6303198893857338
Energy: 1.4133758217025627
Energy: 1.349422298097672
Energy: 1.5942832940200233
Energy: 1.2485071295553067
Energy: 1.5942832940212293
Energy: 1.349422298097672
Energy: 1.5942832940212293
Energy: 1.8167822167578438
Energy: 1.4758267988916145
Energy: 1.3504394865646248
Energy: 1.4758267988928202
Energy: 1.8167822167566376
Energy: 1.4758267988916145
Energy: 1.26734444900789
Energy: 1.6031718380259563
Energy: 1.3464979565660833
Energy: 1.6031718380259563
Energy: 1.26734444900789
Energy: 1.6031718380259563

minimum gb energy = 1.2440045110354392 eV
minimum distance =  2.26327240870192 Angstroms
sigma value = 33


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

Energy: 1.8162393871237836
Energy: 1.7416411273065036
Energy: 1.3147579518792094
Energy: 1.7416411273071895
Energy: 1.8162393871244695
Energy: 1.7416411273065036
Energy: 1.3613023708672685
Energy: 1.5752826898744172
Energy: 1.7437742810019523
Energy: 1.5752826898737313
Energy: 1.3613023708679541
Energy: 1.5752826898730452
Energy: 1.3118598225275389
Energy: 1.7198402618739095
Energy: 1.5324396351716545
Energy: 1.7198402618745954
Energy: 1.311859822526853
Energy: 1.7198402618752815
Energy: 1.3336796746105266
Energy: 1.51774456975351
Energy: 1.6019317227031549
Energy: 1.5177445697555674
Energy: 1.3336796746105266
Energy: 1.5177445697548817
Energy: 1.333310423989041
Energy: 1.7580265411305178
Energy: 1.4867545391557297
Energy: 1.758026541129832
Energy: 1.3333104239904126
Energy: 1.7580265411305178
Energy: 1.5178420520398528
Energy: 1.6356462168339687
Energy: 1.2996714292270446
Energy: 1.6356462168346548
Energy: 1.517842052039167
Energy: 1.6356462168339687
Energy: 1.451124176999846
Energy: 1.6899580543626376
Energy: 1.5527467799804677
Energy: 1.6899580543612658
Energy: 1.45112417699916
Energy: 1.6899580543612658
Energy: 1.3306989789492236
Energy: 1.6599630136906325
Energy: 1.8064990020283038
Energy: 1.6599630136913184
Energy: 1.3306989789499095
Energy: 1.6599630136906325
Energy: 1.4008578834729943
Energy: 1.5045801792061984
Energy: 1.8715091701396054
Energy: 1.5045801792061984
Energy: 1.4008578834729943
Energy: 1.5045801792061984
Energy: 1.3408945230932257
Energy: 1.712796622785626
Energy: 1.3335846671334652
Energy: 1.7127966227849398
Energy: 1.3408945230939116
Energy: 1.7127966227849398
Energy: 1.6017151913143284
Energy: 1.6635095691374586
Energy: 1.8058924031948391
Energy: 1.6635095691360868
Energy: 1.6017151913095269
Energy: 1.6635095691367727
Energy: 1.4707861897791747
Energy: 1.6697219298236021
Energy: 1.3542473951174028
Energy: 1.669721929822916
Energy: 1.4707861897784886
Energy: 1.6697219298236021
Energy: 1.6018567869485785
Energy: 1.5244063642982602
Energy: 1.4064897027285193
Energy: 1.5244063642968886
Energy: 1.6018567869485785
Energy: 1.5244063642975743
Energy: 1.44075060093013
Energy: 1.7183838040724404
Energy: 1.8812398069939018
Energy: 1.7183838040724404
Energy: 1.44075060093013
Energy: 1.7183838040738124
Energy: 1.5876493149851438
Energy: 1.7908672716324823
Energy: 1.5003418332585132
Energy: 1.7908672716324823
Energy: 1.5876493149851438
Energy: 1.7908672716324823
Energy: 1.58799880594408
Energy: 1.6703126013766345
Energy: 1.3546772044753077
Energy: 1.6703126013752625
Energy: 1.5879988059454517
Energy: 1.6703126013759488
Energy: 1.5343676030819222
Energy: 1.679170003402607
Energy: 1.3338078371721511
Energy: 1.6791700034032926
Energy: 1.5343676030826081
Energy: 1.679170003402607
Energy: 1.4886974819816854
Energy: 1.777854297791147
Energy: 1.6953906280958813
Energy: 1.777854297791147
Energy: 1.4886974819809997
Energy: 1.7778542977904608
Energy: 1.3135850778258855
Energy: 1.6587730690850637
Energy: 1.8103454603298028
Energy: 1.6587730690843778
Energy: 1.3135850778258855
Energy: 1.6587730690843778
Energy: 1.3923354591831192
Energy: 1.5062376728891371
Energy: 1.811245482071355
Energy: 1.5062376728898228
Energy: 1.3923354591817474
Energy: 1.5062376728891371
Energy: 1.585776896940262
Energy: 1.7233146335694685
Energy: 1.3026993904279733
Energy: 1.7233146335694685
Energy: 1.5857768969409478
Energy: 1.7233146335694685
Energy: 1.4772974236534384
Energy: 1.746829811763722
Energy: 1.831180374084799
Energy: 1.7468298117630359
Energy: 1.4772974236554963
Energy: 1.746829811763722
Energy: 1.3460785735828398
Energy: 1.6562554075526803
Energy: 1.486631189453054
Energy: 1.6562554075547382
Energy: 1.3460785735828398
Energy: 1.6562554075540523
Energy: 1.5630741453754486
Energy: 1.7302666623995255
Energy: 1.4361752122433795
Energy: 1.73026666239541
Energy: 1.563074145378192
Energy: 1.7302666623981537
Energy: 1.3546819011287394
Energy: 1.7098558158260937
Energy: 1.5327422866389608
Energy: 1.7098558158260937
Energy: 1.3546819011273676
Energy: 1.7098558158254074
Energy: 1.8129764705318332
Energy: 1.7778626613285093
Energy: 1.3110185423864429
Energy: 1.7778626613257658
Energy: 1.8129764705345768
Energy: 1.7778626613339654
Energy: 1.8128031508934233
Energy: 1.7637806210120306
Energy: 1.3537660064198254
Energy: 1.7637806210127165
Energy: 1.8128031508927374
Energy: 1.7637806210127165
Energy: 1.3547848305343761
Energy: 1.7094070404072481
Energy: 1.532395026224767
Energy: 1.709407040405876
Energy: 1.354784830535062
Energy: 1.709407040405876
Energy: 1.5626929503882587
Energy: 1.7386719617578625
Energy: 1.4481617266497113
Energy: 1.7386719617585487
Energy: 1.5626929503889446
Energy: 1.7386719617592343
Energy: 1.3461606995992932
Energy: 1.657015768543078
Energy: 1.4865289672516984
Energy: 1.6570157685437639
Energy: 1.3461606995992932
Energy: 1.6570157685437639
Energy: 1.4396257485066684
Energy: 1.746829811763722
Energy: 1.831210413126392
Energy: 1.746829811763722
Energy: 1.439625748509412
Energy: 1.746829811763722
Energy: 1.585982964936194
Energy: 1.7233371828743103
Energy: 1.3026622110401047
Energy: 1.7233371828743103
Energy: 1.585982964936194
Energy: 1.7233371828736246
Energy: 1.392197016000173
Energy: 1.506299985291976
Energy: 1.8112090365619666
Energy: 1.50629998529129
Energy: 1.3921970159994874
Energy: 1.50629998529129
Energy: 1.3135335821096554
Energy: 1.6596048595036783
Energy: 1.7601441192611553
Energy: 1.6596048595023065
Energy: 1.3135335821090008
Energy: 1.6596048595043642
Energy: 1.4881739675717631
Energy: 1.778624122456998
Energy: 1.5719742636641931
Energy: 1.7786241224563122
Energy: 1.4881739675710772
Energy: 1.7786241224563122
Energy: 1.534299574288438
Energy: 1.6786053546491855
Energy: 1.333710987361912
Energy: 1.6786053546478137
Energy: 1.5342995742891237
Energy: 1.6786053546498716
Energy: 1.5867553005877608
Energy: 1.6698505357215427
Energy: 1.3547061582041484
Energy: 1.6698505357215427
Energy: 1.5867553005877608
Energy: 1.669850535720171
Energy: 1.5873530016471513
Energy: 1.7910037840013429
Energy: 1.503774882788015
Energy: 1.7910037840013429
Energy: 1.5873530016464656
Energy: 1.7910037840020288
Energy: 1.4407307737730186
Energy: 1.7086531533854428
Energy: 1.8821826455445234
Energy: 1.7086531533847567
Energy: 1.440730773771647
Energy: 1.7086531533847567
Energy: 1.602036541908527
Energy: 1.524416750568089
Energy: 1.4065461535347294
Energy: 1.5244167505708326
Energy: 1.6020365419098987
Energy: 1.524416750568089
Energy: 1.4708197539526509
Energy: 1.6898901076472077
Energy: 1.3544426451261453
Energy: 1.6898901076472077
Energy: 1.4708197539533365
Energy: 1.6898901076472077

minimum gb energy = 1.2996714292270446 eV
minimum distance =  2.2559609564497 Angstroms
sigma value = 51


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

Energy: 1.570419040531325
Energy: 1.7019569494136364
Energy: 1.374060688865611
Energy: 1.7019569494136364
Energy: 1.570419040531325
Energy: 1.7019569494136364
Energy: 1.4946968021097913
Energy: 1.850455913711139
Energy: 1.889956667036923
Energy: 1.850455913711139
Energy: 1.4946968021097913
Energy: 1.850455913711139
Energy: 1.256510919818943
Energy: 1.7918908578670525
Energy: 1.6975148528056312
Energy: 1.7918908578670525
Energy: 1.256510919818943
Energy: 1.7918908578654633
Energy: 1.2759778644571524
Energy: 1.5919950117676291
Energy: 1.738523987802618
Energy: 1.5919950117692183
Energy: 1.2759778644571524
Energy: 1.5919950117692183
Energy: 1.2982013892420707
Energy: 1.662441477089651
Energy: 1.6975187541989134
Energy: 1.662441477089651
Energy: 1.2982013892420707
Energy: 1.662441477089651
Energy: 1.6790118285130005
Energy: 1.5981479849792777
Energy: 1.8083558136260098
Energy: 1.5981479849808669
Energy: 1.679011828511411
Energy: 1.5981479849808669
Energy: 1.6839490051266728
Energy: 1.5987979951789746
Energy: 1.7731631131082226
Energy: 1.5987979951789746
Energy: 1.6839490051266728
Energy: 1.5987979951789746
Energy: 1.2768112554642468
Energy: 1.5981060228707578
Energy: 1.3098600215419827
Energy: 1.5981060228691688
Energy: 1.2768112554642468
Energy: 1.5981060228691688
Energy: 1.8061973162207317
Energy: 1.5682030287598239
Energy: 1.269509904673772
Energy: 1.5682030287614133
Energy: 1.8061973162191425
Energy: 1.5682030287614133
Energy: 1.2763448886464497
Energy: 1.6764512023721407
Energy: 1.3100148704485686
Energy: 1.67645120237373
Energy: 1.2763448886448603
Energy: 1.6764512023721407
Energy: 1.7038806026546816
Energy: 2.00465423678377
Energy: 1.7694627239361942
Energy: 2.00465423678377
Energy: 1.7038806026530922
Energy: 2.00465423678377
Energy: 1.642479929037878
Energy: 1.646617809624225
Energy: 1.8096311904823057
Energy: 1.646617809624225
Energy: 1.6424799290394674
Energy: 1.6466178096258142
Energy: 1.689040840522477
Energy: 1.7397631868509305
Energy: 1.719181028743435
Energy: 1.7397631868509305
Energy: 1.689040840522477
Energy: 1.739763186849341
Energy: 1.276227988596501
Energy: 1.7916600651366459
Energy: 1.7201045105169355
Energy: 1.791660065135057
Energy: 1.276227988596501
Energy: 1.7916600651366459
Energy: 1.276573676984401
Energy: 1.7507163134480705
Energy: 1.7196064302454879
Energy: 1.7507163134464814
Energy: 1.2765736769828115
Energy: 1.7507163134464814
Energy: 1.2762854259257903
Energy: 1.6656229447123931
Energy: 1.720132225055286
Energy: 1.6656229447123931
Energy: 1.2762854259273793
Energy: 1.6656229447108037
Energy: 1.6413040946531336
Energy: 1.6712414327710687
Energy: 1.8012434554390135
Energy: 1.6712414327710687
Energy: 1.6413040946531336
Energy: 1.6712414327710687
Energy: 1.88664310479899
Energy: 1.6007011924186678
Energy: 1.7705919863033672
Energy: 1.6007011924202568
Energy: 1.8866431047974008
Energy: 1.6007011924139

minimum gb energy = 1.256510919818943 eV
minimum distance =  2.2458939309202 Angstroms
sigma value = 19


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

Energy: 1.674058223349843
Energy: 1.8811750022047786
Energy: 1.4656189938691373
Energy: 1.881175002206664
Energy: 1.6740582233489005
Energy: 1.8811750022057212
Energy: 1.4710401444177532
Energy: 1.8401507028355253
Energy: 1.7006623672055123
Energy: 1.8401507028355253
Energy: 1.4710401444177532
Energy: 1.8401507028345825
Energy: 1.4246615405834164
Energy: 1.8132242900178668
Energy: 1.5407735369323312
Energy: 1.8132242900169238
Energy: 1.4246615405824739
Energy: 1.8132242900178668
Energy: 1.3864533838453081
Energy: 1.7179948515815053
Energy: 1.7734002665686657
Energy: 1.7179948515815053
Energy: 1.386453383846251
Energy: 1.7179948515815053
Energy: 1.399171422687011
Energy: 1.8122559131760771
Energy: 1.7479630182744228
Energy: 1.8122559131760771
Energy: 1.399171422687011
Energy: 1.8122559131760771
Energy: 1.7479286538456869
Energy: 1.8122809724396585
Energy: 1.3989717479946935
Energy: 1.8122809724396585
Energy: 1.7479286538466297
Energy: 1.8122809724396585
Energy: 1.7734859571640043
Energy: 1.7182434088603202
Energy: 1.3864411386488573
Energy: 1.7182434088593779
Energy: 1.7734859571630615
Energy: 1.7182434088593779
Energy: 1.541126145595786
Energy: 1.8212358753485824
Energy: 1.4219861526768425
Energy: 1.8212358753485824
Energy: 1.541126145595786
Energy: 1.8212358753485824
Energy: 1.7005691518740904
Energy: 1.847680322405145
Energy: 1.4810343929039298
Energy: 1.847680322405145
Energy: 1.7005691518750332
Energy: 1.847680322405145
Energy: 1.5442805587004802
Energy: 1.8811750022057212
Energy: 1.6740582233489005
Energy: 1.881175002206664
Energy: 1.5442805587004802
Energy: 1.8811750022057212
Energy: 1.7006623672055123
Energy: 1.8401507028355253
Energy: 1.3277627352866403
Energy: 1.8401507028345825
Energy: 1.7006623672055123
Energy: 1.8401507028355253
Energy: 1.5407735369313886
Energy: 1.8132242900178668
Energy: 1.4246615405824739
Energy: 1.8132242900188094
Energy: 1.5407735369313886
Energy: 1.8132242900188094
Energy: 1.7734002665696085
Energy: 1.7179948515815053
Energy: 1.386453383846251
Energy: 1.7179948515824477
Energy: 1.7734002665686657
Energy: 1.7179948515815053
Energy: 1.7479630182744228
Energy: 1.8122559131760771
Energy: 1.399171422687011
Energy: 1.8122559131760771
Energy: 1.7479630182744228
Energy: 1.8122559131760771
Energy: 1.3989717479946935
Energy: 1.8122809724396585
Energy: 1.6874539283698724
Energy: 1.8122809724396585
Energy: 1.3989717479946935
Energy: 1.8122809724396585
Energy: 1.41086606267935
Energy: 1.7182434088593779
Energy: 1.7734859571630615
Energy: 1.7182434088603202
Energy: 1.4108660626802927
Energy: 1.7182434088593779
Energy: 1.4219861526768425
Energy: 1.8212358753485824
Energy: 1.541126145595786
Energy: 1.8212358753485824
Energy: 1.4219861526768425
Energy: 1.8212358753485824
Energy: 1.481034392902987
Energy: 1.847680322405145
Energy: 1.7005691518740904
Energy: 1.8476803224042022
Energy: 1.481034392902987
Energy: 1.847680322405145
Energy: 1.674058223349843
Energy: 1.881175002206664
Energy: 1.618089284913235
Energy: 1.8811750022057212
Energy: 1.6740582233489005
Energy: 1.881175002206664
Energy: 1.3277627352866403
Energy: 1.8401507028355253
Energy: 1.7006623672055123
Energy: 1.8401507028355253
Energy: 1.3277627352866403
Energy: 1.8401507028355253
Energy: 1.4246615405834164
Energy: 1.8132242900188094
Energy: 1.5407735369313886
Energy: 1.8132242900188094
Energy: 1.4246615405824739
Energy: 1.8132242900188094
Energy: 1.386453383846251
Energy: 1.7179948515815053
Energy: 1.7734002665686657
Energy: 1.7179948515815053
Energy: 1.386453383846251
Energy: 1.7179948515815053
Energy: 1.3991714226888963
Energy: 1.8122559131751343
Energy: 1.74796301827348
Energy: 1.8122559131760771
Energy: 1.3991714226888963
Energy: 1.8122559131760771
Energy: 1.620905510193515
Energy: 1.8122809724396585
Energy: 1.3989717479946935
Energy: 1.8122809724396585
Energy: 1.620905510193515
Energy: 1.8122809724396585
Energy: 1.7734859571640043
Energy: 1.7182434088593779
Energy: 1.4343574515236164
Energy: 1.7182434088603202
Energy: 1.7734859571640043
Energy: 1.7182434088603202
Energy: 1.541126145595786
Energy: 1.8212358753485824
Energy: 1.4219861526768425
Energy: 1.8212358753485824
Energy: 1.541126145595786
Energy: 1.8212358753495252
Energy: 1.7005691518740904
Energy: 1.847680322405145
Energy: 1.4810343929039298
Energy: 1.847680322405145
Energy: 1.7005691518740904
Energy: 1.8476803224042022
Energy: 1.6180892849141564
Energy: 1.8811750022057212
Energy: 1.674058223349843
Energy: 1.881175002206664
Energy: 1.6180892849141564
Energy: 1.8811750022057212
Energy: 1.7006623672055123
Energy: 1.8401507028345825
Energy: 1.3277627352875616
Energy: 1.8401507028355253
Energy: 1.7006623672055123
Energy: 1.8401507028355253
Energy: 1.5407735369313886
Energy: 1.8132242900178668
Energy: 1.4246615405824739
Energy: 1.8132242900178668
Energy: 1.5407735369323312
Energy: 1.8132242900169238

minimum gb energy = 1.3277627352866403 eV
minimum distance =  2.25776255566559 Angstroms
sigma value = 27


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

Energy: 1.3682929963766914
Energy: 1.6379527062472603
Energy: 1.5734480308582297
Energy: 1.6379527062474966
Energy: 1.3682929963766914
Energy: 1.637952706246788
Energy: 1.287923467857444
Energy: 1.53055976768459
Energy: 1.3298113963058293
Energy: 1.5305597676848
Energy: 1.287923467857654
Energy: 1.5305597676843539
Energy: 1.287373587997671
Energy: 1.9415734798292212
Energy: 1.330193227913555
Energy: 1.9415734798294313
Energy: 1.287373587997671
Energy: 1.9415734798275943
Energy: 1.6377605054620448
Energy: 1.6333775221540228
Energy: 1.3050576368676652
Energy: 1.6333775221540228
Energy: 1.6377605054622808
Energy: 1.633377522154731
Energy: 1.9813032328154758
Energy: 1.6366577679723378
Energy: 1.3054414734058384
Energy: 1.6366577679718657
Energy: 1.9813032328150035
Energy: 1.6366577679716292
Energy: 1.319685906994414
Energy: 1.5628246974277382
Energy: 1.3448361637346353
Energy: 1.5628246974203386
Energy: 1.319685906994414
Energy: 1.562824697433275
Energy: 1.3086151191306987
Energy: 1.330377711565344
Energy: 1.31760758646147
Energy: 1.330377711565344
Energy: 1.3086151191297801
Energy: 1.3303777115648716
Energy: 1.3608921919420822
Energy: 1.633311174228019
Energy: 1.559763571547789
Energy: 1.633311174228019
Energy: 1.3608921919425283
Energy: 1.6333111742282553
Energy: 1.6494602766674704
Energy: 1.5153320025715782
Energy: 1.527505655161262
Energy: 1.5153320025711057
Energy: 1.6494602766674704
Energy: 1.5153320025720243
Energy: 1.31951237116092
Energy: 2.164799407891013
Energy: 1.3194381997411682
Energy: 2.164799407891249
Energy: 1.3195123711606838
Energy: 2.164799407891249
Energy: 1.3299766564713185
Energy: 1.5149532678647655
Energy: 1.6494605232977761
Energy: 1.51495326786592
Energy: 1.3299766564708724
Energy: 1.5149532678661564
Energy: 1.5596238140572476
Energy: 1.6334220011589309
Energy: 1.360143526069732
Energy: 1.6334220011589309
Energy: 1.5596238140588745
Energy: 1.6334220011589309

minimum gb energy = 1.287373587997671 eV
minimum distance =  2.2409840712711 Angstroms
sigma value = 9


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

Energy: 1.6886189058799501
Energy: 1.889520383751206
Energy: 1.4567302780535187
Energy: 1.889520383751206
Energy: 1.6886189058793013
Energy: 1.8895203837518548
Energy: 1.7661624969407026
Energy: 1.7641245083117738
Energy: 1.429865464907128
Energy: 1.7641245083117738
Energy: 1.7661624969413514
Energy: 1.7641245083098274
Energy: 1.3432626580658618
Energy: 1.9450553164375393
Energy: 1.4596825606322945
Energy: 1.9450553164368904
Energy: 1.3432626580652134
Energy: 1.9450553164368904
Energy: 1.4370279052504835
Energy: 1.9430405600928842
Energy: 1.591458859723352
Energy: 1.9430405600928842
Energy: 1.4370279052498347
Energy: 1.9430405600928842
Energy: 1.3276947866235056
Energy: 1.9414519186620505
Energy: 1.7338776951611383
Energy: 1.9414519186620505
Energy: 1.327694786622208
Energy: 1.9414519186620505
Energy: 1.4229152180011806
Energy: 1.750108801181531
Energy: 1.5584709199798297
Energy: 1.7501088011834773
Energy: 1.4229152180005318
Energy: 1.750108801181531
Energy: 1.736669377305741
Energy: 1.7992016546240768
Energy: 1.5800559381143813
Energy: 1.7992016546253744
Energy: 1.7366693773070385
Energy: 1.7992016546234277
Energy: 1.5211224632780302
Energy: 1.8753580082323917
Energy: 1.528162166001437
Energy: 1.8753580082330406
Energy: 1.5211224632780302
Energy: 1.8753580082330406
Energy: 1.5224197654902478
Energy: 1.7983040064477327
Energy: 1.5621258119329662
Energy: 1.7983040064470839
Energy: 1.5224197654915452
Energy: 1.7983040064470839
Energy: 1.5465970812602066
Energy: 1.9158415670637563
Energy: 1.3968732332587477
Energy: 1.9158415670637563
Energy: 1.5465970812595577
Energy: 1.9158415670637563
Energy: 1.684872067940717
Energy: 1.7740491254865822
Energy: 1.4491913590935468
Energy: 1.7740491254878799
Energy: 1.6848720679387708
Energy: 1.7740491254885287
Energy: 1.368387020000341
Energy: 1.8486265344796056
Energy: 1.4247592677094478
Energy: 1.8486265344815522
Energy: 1.3683870199996921
Energy: 1.8486265344809034
Energy: 1.4532047207320677
Energy: 1.7595687082044829
Energy: 1.6934700401799956
Energy: 1.7595687082044829
Energy: 1.4532047207320677
Energy: 1.7595687082044829
Energy: 1.6293013408819972
Energy: 1.9110190847005295
Energy: 1.7347179684859844
Energy: 1.9110190847005295
Energy: 1.6293013408819972
Energy: 1.9110190846998807
Energy: 1.4186830594490112
Energy: 1.9128299931287542
Energy: 1.6565045556645261
Energy: 1.9128299931287542
Energy: 1.4186830594490112
Energy: 1.9128299931287542
Energy: 1.5275794285770303
Energy: 1.7950358899517678
Energy: 1.4300059519459232
Energy: 1.7950358899517678
Energy: 1.5275794285763813
Energy: 1.7950358899517678
Energy: 1.5463593087728298
Energy: 1.903927863714473
Energy: 1.4495607151577192
Energy: 1.903927863714473
Energy: 1.546359308772181
Energy: 1.9039278637138242
Energy: 1.6154052132440395
Energy: 1.7561522245261387
Energy: 1.4731951102669523
Energy: 1.7561522245254901
Energy: 1.6154052132433907
Energy: 1.7561522245274361
Energy: 1.5464393538222354
Energy: 1.9181965237405214
Energy: 1.440343208366924
Energy: 1.9181965237405214
Energy: 1.5464393538222354
Energy: 1.9181965237405214
Energy: 1.5043875947178411
Energy: 1.8873145745235773
Energy: 1.507176563829592
Energy: 1.8873145745235773
Energy: 1.5043875947184902
Energy: 1.8873145745235773
Energy: 1.4401643302095166
Energy: 1.9181892916766148
Energy: 1.5464170519672236
Energy: 1.9181892916766148
Energy: 1.4401643302101654
Energy: 1.9181892916766148
Energy: 1.4732278553181806
Energy: 1.7557385908296541
Energy: 1.6153346333701721
Energy: 1.7557385908290055
Energy: 1.4732278553181806
Energy: 1.7557385908296541
Energy: 1.448918194487269
Energy: 1.8972888867837885
Energy: 1.5460254302762553
Energy: 1.8972888867837885
Energy: 1.448918194487269
Energy: 1.8972888867837885
Energy: 1.430096288511511
Energy: 1.79498756430183
Energy: 1.5275681414537923
Energy: 1.7949875643024789
Energy: 1.430096288511511
Energy: 1.7949875643031277
Energy: 1.6563932742912242
Energy: 1.9129504346605317
Energy: 1.4186141301354827
Energy: 1.9129504346605317
Energy: 1.6563932742905754
Energy: 1.9129504346611805
Energy: 1.7347089137552052
Energy: 1.9111107166101284
Energy: 1.6292776168061707
Energy: 1.9111107166101284
Energy: 1.7347089137552052
Energy: 1.9111107166101284
Energy: 1.693496062228452
Energy: 1.760775630198072
Energy: 1.453108702032286
Energy: 1.760775630198072
Energy: 1.6934960622297495
Energy: 1.7607756301987207
Energy: 1.4246919356966894
Energy: 1.8106680853224622
Energy: 1.3684872181174421
Energy: 1.8106680853218133
Energy: 1.4246919356960406
Energy: 1.8106680853218133
Energy: 1.449634505898033
Energy: 1.7158814078426612
Energy: 1.6862511154529554
Energy: 1.7158814078439588
Energy: 1.4496345058986817
Energy: 1.7158814078439588
Energy: 1.3995082372596845
Energy: 1.9157537798567033
Energy: 1.5465868704541916
Energy: 1.915753779857352
Energy: 1.3995082372603334
Energy: 1.915753779857352
Energy: 1.5658086126277697
Energy: 1.7983040064477327
Energy: 1.5223680116948721
Energy: 1.7983040064477327
Energy: 1.565808612627121
Energy: 1.7983040064477327
Energy: 1.528180271290372
Energy: 1.8749496227851956
Energy: 1.5212230196582253
Energy: 1.874949622784547
Energy: 1.5281802712897234
Energy: 1.874949622784547
Energy: 1.580590776052485
Energy: 1.7981062127857748
Energy: 1.7367358741081664
Energy: 1.7981062127877212
Energy: 1.580590776052485
Energy: 1.7981062127870724
Energy: 1.557756797565351
Energy: 1.9032955298742713
Energy: 1.423089436465888
Energy: 1.9032955298742713
Energy: 1.5577567975647022
Energy: 1.9032955298736225
Energy: 1.76471861255028
Energy: 1.9435980787363198
Energy: 1.327820689513034
Energy: 1.9435980787369687
Energy: 1.7647186125489824
Energy: 1.9435980787369687
Energy: 1.5913532834755355
Energy: 1.9430758260722325
Energy: 1.4370905601895705
Energy: 1.9430758260722325
Energy: 1.5913532834768331
Energy: 1.9430758260722325
Energy: 1.4759302187369694
Energy: 1.9420506703840716
Energy: 1.3431436767749714
Energy: 1.9420506703847205
Energy: 1.4759302187376182
Energy: 1.9420506703834228
Energy: 1.4256695341743661
Energy: 1.7318245455127785
Energy: 1.7664219300810304
Energy: 1.7318245455134273
Energy: 1.4256695341763126
Energy: 1.7318245455127785
Energy: 1.489311352653304
Energy: 1.8895203837492596
Energy: 1.6886189058793013
Energy: 1.8895203837492596
Energy: 1.4893113526539525
Energy: 1.889520383751206
Energy: 1.4298654649045626
Energy: 1.764124508311125
Energy: 1.7661624969407026
Energy: 1.7641245083143688
Energy: 1.4298654649058304
Energy: 1.764124508311125
Energy: 1.4596825606329433
Energy: 1.9450553164355928
Energy: 1.343262658063267
Energy: 1.9450553164362414
Energy: 1.459682560633592
Energy: 1.9450553164355928
Energy: 1.591458859723352
Energy: 1.9430405600928842
Energy: 1.4370279052504835
Energy: 1.9430405600928842
Energy: 1.591458859724001
Energy: 1.9430405600922354
Energy: 1.706449565807152
Energy: 1.9414519186620505
Energy: 1.327694786622208
Energy: 1.9414519186626993
Energy: 1.7064495658078007
Energy: 1.9414519186626993

minimum gb energy = 1.327694786622208 eV
minimum distance =  2.21031274056208 Angstroms
sigma value = 57


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

Energy: 1.3819844657227036
Energy: 1.5407771373505283
Energy: 1.3947583356708084
Energy: 1.5407771373505283
Energy: 1.3819844657212268
Energy: 1.5407771373505283
Energy: 1.8058373752328387
Energy: 1.6103053776416019
Energy: 1.3720600328556252
Energy: 1.6103053776416019
Energy: 1.8058373752328387
Energy: 1.6103053776416019
Energy: 1.3494859089525646
Energy: 1.6870847647486436
Energy: 1.2521039943048962
Energy: 1.6870847647486436
Energy: 1.3494859089525646
Energy: 1.6870847647486436
Energy: 1.184409201092577
Energy: 1.6131645930482976
Energy: 1.3986138136471615
Energy: 1.6131645930497744
Energy: 1.184409201092577
Energy: 1.6131645930482976
Energy: 1.184985942193312
Energy: 1.6404700086367223
Energy: 1.3536836596401067
Energy: 1.6404700086367223
Energy: 1.184985942193312
Energy: 1.6404700086367223
Energy: 1.8437318871193327
Energy: 1.7841779655335839
Energy: 1.4320193089881326
Energy: 1.7841779655335839
Energy: 1.8437318871193327
Energy: 1.7841779655335839
Energy: 1.8436957394239564
Energy: 1.784005851043272
Energy: 1.430808481216943
Energy: 1.784005851043272
Energy: 1.8436957394239564
Energy: 1.784005851043272
Energy: 1.1850699499707187
Energy: 1.6405564333479081
Energy: 1.398329157709475
Energy: 1.6405564333464313
Energy: 1.1850699499692416
Energy: 1.6405564333493852
Energy: 1.1843759679258627
Energy: 1.6131627632432293
Energy: 1.3373064069933147
Energy: 1.6131627632432293
Energy: 1.1843759679258627
Energy: 1.6131627632417525
Energy: 1.3496966282854572
Energy: 1.687064502223909
Energy: 1.2528594654129175
Energy: 1.6870645022253858
Energy: 1.3496966282854572
Energy: 1.6870645022253858
Energy: 1.8057576097168013
Energy: 1.610305377643079
Energy: 1.2517024195819546
Energy: 1.610305377643079
Energy: 1.8057576097153243
Energy: 1.610305377643079
Energy: 1.3819844657227036
Energy: 1.5407771373490513
Energy: 1.4641991568393002
Energy: 1.5407771373490513
Energy: 1.3819844657227036
Energy: 1.5407771373490513
Energy: 1.8058373752328387
Energy: 1.6103053776416019
Energy: 1.2816421005913918
Energy: 1.6103053776416019
Energy: 1.8058373752328387
Energy: 1.6103053776416019
Energy: 1.3494859089540416
Energy: 1.6870847647486436
Energy: 1.252103994306373
Energy: 1.6870847647486436
Energy: 1.3494859089540416
Energy: 1.6870847647486436
Energy: 1.184409201092577
Energy: 1.6131645930482976
Energy: 1.3986138136456845
Energy: 1.6131645930468206
Energy: 1.184409201092577
Energy: 1.6131645930482976
Energy: 1.184985942193312
Energy: 1.6404700086381991
Energy: 1.2307836518999882
Energy: 1.6404700086367223
Energy: 1.184985942193312
Energy: 1.6404700086367223
Energy: 1.8437318871193327
Energy: 1.7841779655335839
Energy: 1.4320193089881326
Energy: 1.7841779655335839
Energy: 1.8437318871193327
Energy: 1.7841779655335839
Energy: 1.8436957394239564
Energy: 1.784005851044749
Energy: 1.430808481216943
Energy: 1.784005851043272
Energy: 1.8436957394239564
Energy: 1.784005851044749
Energy: 1.1850699499692416
Energy: 1.6405564333464313
Energy: 1.3983291577079981
Energy: 1.6405564333464313
Energy: 1.1850699499692416
Energy: 1.6405564333464313

minimum gb energy = 1.1843759679258627 eV
minimum distance =  2.2212983720699 Angstroms
sigma value = 11


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

Energy: 1.2689257274517927
Energy: 1.7881688561090956
Energy: 1.2889851220793365
Energy: 1.7881688561090956
Energy: 1.2689257274528745
Energy: 1.7881688561090956
Energy: 1.8615900143552215
Energy: 1.5500893908161906
Energy: 1.2752235186177445
Energy: 1.5500893908161906
Energy: 1.8615900143541397
Energy: 1.5500893908161906
Energy: 1.230193374912986
Energy: 1.2949364467981854
Energy: 1.2762527918078204
Energy: 1.2949364467992674
Energy: 1.230193374914068
Energy: 1.294936446800349
Energy: 1.444469890322271
Energy: 1.5187152392093468
Energy: 1.2926704227313142
Energy: 1.5187152392093468
Energy: 1.444469890322271
Energy: 1.5187152392093468
Energy: 1.3521380057097363
Energy: 1.7917320049749157
Energy: 1.2479874210679094
Energy: 1.7917320049759975
Energy: 1.3521380057086547
Energy: 1.7917320049759975
Energy: 1.1146824536223545
Energy: 1.6596315635667727
Energy: 1.1984832411817983
Energy: 1.6596315635678547
Energy: 1.114682453623436
Energy: 1.6596315635678547
Energy: 1.1135793152055096
Energy: 1.4573856660386313
Energy: 1.3409803085044298
Energy: 1.4573856660386313
Energy: 1.1135793152055096
Energy: 1.4573856660375497
Energy: 1.5676706387424073
Energy: 1.7610289405082893
Energy: 1.406945914858742
Energy: 1.7610289405104531
Energy: 1.5676706387434893
Energy: 1.7610289405082893
Energy: 1.56630067932404
Energy: 1.7252384775702985
Energy: 1.5610668066411881
Energy: 1.7252384775692167
Energy: 1.56630067932404
Energy: 1.7252384775692167
Energy: 1.1149962119093333
Energy: 1.4560307206255745
Energy: 1.4484107656723773
Energy: 1.4560307206244922
Energy: 1.1149962119093333
Energy: 1.4560307206244922
Energy: 1.227881550185205
Energy: 1.7074497029360274
Energy: 1.199112185888901
Energy: 1.7074497029349454
Energy: 1.2278815501862868
Energy: 1.7074497029360274
Energy: 1.349163628653998
Energy: 1.7843415197480725
Energy: 1.1884955784506397
Energy: 1.7843415197469907
Energy: 1.349163628653998
Energy: 1.7843415197480725
Energy: 1.565418042122666
Energy: 1.3743265909593876
Energy: 1.2288948722524282
Energy: 1.3743265909604694
Energy: 1.565418042122666
Energy: 1.3743265909626332
Energy: 1.2316973573209038
Energy: 1.4173205069484107
Energy: 1.2752084451033354
Energy: 1.4173205069484107
Energy: 1.2316973573219858
Energy: 1.417320506947329
Energy: 1.7698846556407906
Energy: 1.5505545459906485
Energy: 1.3737040797447075
Energy: 1.5505545459906485
Energy: 1.7698846556407906
Energy: 1.5505545459906485
Energy: 1.2701337666502792
Energy: 1.7902091488536034
Energy: 1.461145877780351
Energy: 1.7902091488536034
Energy: 1.2701337666502792
Energy: 1.7902091488536034
Energy: 1.8291284627089093
Energy: 1.5502735418677382
Energy: 1.2842291449300647
Energy: 1.5502735418677382
Energy: 1.8291284627078275
Energy: 1.5502735418677382
Energy: 1.2315882028272689
Energy: 1.291084867867991
Energy: 1.2651417068487198
Energy: 1.291084867867991
Energy: 1.2315882028272689
Energy: 1.2910848678701545
Energy: 1.558992165934398
Energy: 1.5688188232606755
Energy: 1.187132612846533
Energy: 1.5688188232606755
Energy: 1.5589921659322339
Energy: 1.5688188232595937
Energy: 1.3132017151310322
Energy: 1.7741804939413253
Energy: 1.274535415709128
Energy: 1.7741804939413253
Energy: 1.3132017151321143
Energy: 1.7741804939413253
Energy: 1.6142691119740709
Energy: 1.6729133439536616
Energy: 1.261702692965357
Energy: 1.6729133439547432
Energy: 1.6142691119729893
Energy: 1.6729133439536616
Energy: 1.115219536746202
Energy: 1.5424813452152035
Energy: 1.3396900259216133
Energy: 1.542481345216285
Energy: 1.115219536746202
Energy: 1.542481345217367
Energy: 1.5403030885225675
Energy: 1.7600573657241767
Energy: 1.3769622649889854
Energy: 1.7600573657252583
Energy: 1.5403030885204034
Energy: 1.7600573657241767
Energy: 1.2929299069769042
Energy: 1.7865971713389002
Energy: 1.7726019551851173
Energy: 1.7865971713378184
Energy: 1.292929906977986
Energy: 1.7865971713378184
Energy: 1.1178287598902055
Energy: 1.5068284601856319
Energy: 1.2621479001666716
Energy: 1.5068284601834678
Energy: 1.1178287598902055
Energy: 1.5068284601834678
Energy: 1.228550051349716
Energy: 1.7246373311838352
Energy: 1.313353889922875
Energy: 1.7246373311838352
Energy: 1.2285500513486343
Energy: 1.7246373311849172

minimum gb energy = 1.1135793152055096 eV
minimum distance =  2.21573145574765 Angstroms
sigma value = 41


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

Energy: 1.635338004847931
Energy: 1.6154259521883896
Energy: 1.2251654517658912
Energy: 1.6154259521875758
Energy: 1.635338004847931
Energy: 1.6154259521875758
Energy: 1.8203334535283595
Energy: 1.4138766409524375
Energy: 1.1706525735636049
Energy: 1.4138766409524375
Energy: 1.8203334535283595
Energy: 1.4138766409524375
Energy: 1.136962009607207
Energy: 1.5677635448298264
Energy: 1.2032629235536758
Energy: 1.567763544830679
Energy: 1.136962009607207
Energy: 1.5677635448298264
Energy: 1.7304274216454811
Energy: 1.1697927690909262
Energy: 1.195547739115885
Energy: 1.1697927691037169
Energy: 1.7304274216454811
Energy: 1.1697927690986005
Energy: 1.1246647428516303
Energy: 1.4289783123381392
Energy: 1.148347245242766
Energy: 1.4289783123389919
Energy: 1.1246647428516303
Energy: 1.4289783123389919
Energy: 1.4345118565904902
Energy: 1.4959612954198822
Energy: 1.261779420281503
Energy: 1.4959612954207349
Energy: 1.4345118565913428
Energy: 1.4959612954207349
Energy: 1.2301894903726371
Energy: 1.5522116792477958
Energy: 1.279203122885046
Energy: 1.5522116792486484
Energy: 1.2301894903726371
Energy: 1.5522116792469431
Energy: 1.4298707085968756
Energy: 1.5384105821417593
Energy: 1.2551428310445683
Energy: 1.5384105821417593
Energy: 1.429870708596023
Energy: 1.5384105821417593
Energy: 1.045117149177511
Energy: 1.5041846852489262
Energy: 1.4789236596707294
Energy: 1.5041846852489262
Energy: 1.0451171491766584
Energy: 1.5041846852480734
Energy: 1.435847706714928
Energy: 1.519485184561491
Energy: 1.700361204177323
Energy: 1.519485184561491
Energy: 1.435847706714928
Energy: 1.5194851845623436
Energy: 1.3942704342864087
Energy: 1.5847426999546221
Energy: 1.6095788561020412
Energy: 1.5847426999546221
Energy: 1.3942704342864087
Energy: 1.5847426999546221
Energy: 1.0442540007542593
Energy: 1.5612994862736087
Energy: 1.255269967883475
Energy: 1.5612994862727558
Energy: 1.0442540007534067
Energy: 1.5810113435346376
Energy: 1.1217847006082677
Energy: 1.547959307264467
Energy: 1.4536745408876888
Energy: 1.5479593072636144
Energy: 1.1217847006082677
Energy: 1.547959307264467
Energy: 1.2041203022387876
Energy: 1.565967036320664
Energy: 1.2620312771295858
Energy: 1.565967036320664
Energy: 1.2041203022387876
Energy: 1.565967036320664
Energy: 1.389610103600068
Energy: 1.557273116399072
Energy: 1.2453819410934541
Energy: 1.557273116399072
Energy: 1.389610103600068
Energy: 1.557273116399072
Energy: 1.1244717200589103
Energy: 1.5593049464016742
Energy: 1.1122295343317985
Energy: 1.5708724835258165
Energy: 1.124471720059763
Energy: 1.5972126192310294
Energy: 1.5015654870686033
Energy: 1.5074594786779314
Energy: 1.139936918386155
Energy: 1.5074594786787845
Energy: 1.5015654870677502
Energy: 1.5074594786770787
Energy: 1.1346730824243798
Energy: 1.5247931110335278
Energy: 1.1992358123470792
Energy: 1.524793111035233
Energy: 1.1346730824243798
Energy: 1.5247931110335278
Energy: 1.7851469264170672
Energy: 1.4125167431836567
Energy: 1.2423000449783557
Energy: 1.4125167431845094
Energy: 1.7851469264162143
Energy: 1.4125167431836567
Energy: 1.6147117620001121
Energy: 1.5872414215788835
Energy: 1.4029219272680489
Energy: 1.5928907654152005
Energy: 1.614711762000965
Energy: 1.5872414215788835
Energy: 1.8078645591359044
Energy: 1.3832639163383031
Energy: 1.210424428552019
Energy: 1.3832639163391558
Energy: 1.8078645591359044
Energy: 1.3832639163400084
Energy: 1.134530586065653
Energy: 1.5614934931419258
Energy: 1.2057520677208984
Energy: 1.5614934931419258
Energy: 1.1345305860648003
Energy: 1.5614934931419258
Energy: 1.6214875279318905
Energy: 1.3520855319282248
Energy: 1.101112729191936
Energy: 1.352085531926519
Energy: 1.6214875279318905
Energy: 1.3520855319282248
Energy: 1.124578711821809
Energy: 1.4345313336126038
Energy: 1.2123617459446452
Energy: 1.4345313336134564
Energy: 1.1245787118226616
Energy: 1.33116692206744
Energy: 1.2208474705356382
Energy: 1.4926995067254811
Energy: 1.1243222590238928
Energy: 1.4926995067254811
Energy: 1.2208474705364911
Energy: 1.492699506724628
Energy: 1.2041613605872252
Energy: 1.475560422865082
Energy: 1.2148151699284486
Energy: 1.4755604228642292
Energy: 1.2041613605872252
Energy: 1.475560422865082
Energy: 1.5212570425320728
Energy: 1.507683746241427
Energy: 1.228917046207786
Energy: 1.507683746241427
Energy: 1.5212570425320728
Energy: 1.5076837462405743
Energy: 1.0443318840324658
Energy: 1.3971128416884184
Energy: 1.5566962751940168
Energy: 1.4699488009541788
Energy: 1.0443318840333187
Energy: 1.3971128416884184
Energy: 1.393779101710255
Energy: 1.5682622712443473
Energy: 1.6167158303470675
Energy: 1.5682622712443473
Energy: 1.393779101710255
Energy: 1.5682622712443473
Energy: 1.1647264548707144
Energy: 1.5619507170245537
Energy: 1.6378056106209864
Energy: 1.5619507170254063
Energy: 1.1647264548707144
Energy: 1.5619507170245537
Energy: 1.1236129308294518
Energy: 1.5081937276552357
Energy: 1.229336342742124
Energy: 1.5081937276552357
Energy: 1.1236129308294518
Energy: 1.5081937276552357
Energy: 1.1212783415811953
Energy: 1.5428938942170782
Energy: 1.5091308647976067
Energy: 1.5428938942170782
Energy: 1.1212783415811953
Energy: 1.5428938942162256
Energy: 1.1649749979377237
Energy: 1.5108593272592046
Energy: 1.124206245104446
Energy: 1.5108593272600574
Energy: 1.1649749979377237
Energy: 1.5108593272592046

minimum gb energy = 1.0442540007534067 eV
minimum distance =  2.2096307233114 Angstroms
sigma value = 33


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

Energy: 1.4625625964921323
Energy: 1.4260377691771122
Energy: 1.0978485029340828
Energy: 1.426037769178309
Energy: 1.4625625964939277
Energy: 1.4260377691777106
Energy: 2.022822418667482
Energy: 1.1456544452360022
Energy: 1.0723040997258628
Energy: 1.1456544452360022
Energy: 2.022822418667482
Energy: 1.145654445238396
Energy: 1.4489073380024742
Energy: 1.4144007858153798
Energy: 1.1802511798525266
Energy: 1.4144007858165766
Energy: 1.4489073380018755
Energy: 1.4144007858171752
Energy: 1.8511567262903799
Energy: 1.065630143253931
Energy: 0.973682316655816
Energy: 1.0656301431133535
Energy: 1.8511567262897815
Energy: 1.065630143223411
Energy: 1.0949935242957827
Energy: 1.3493907588756808
Energy: 1.2122753674319133
Energy: 1.3493907588750824
Energy: 1.0949935242957827
Energy: 1.3493907588750824
Energy: 1.599644397924378
Energy: 1.3056449774419123
Energy: 1.1680022039837932
Energy: 1.3056449774419123
Energy: 1.599644397924378
Energy: 1.305644977443109
Energy: 1.0799140604368753
Energy: 1.3420929986269985
Energy: 1.1831069258718525
Energy: 1.3420929986269985
Energy: 1.079914060437474
Energy: 1.3420929986269985
Energy: 1.5474421214138459
Energy: 1.3221584427018274
Energy: 1.1133625235253652
Energy: 1.3221584427012292
Energy: 1.5474421214132474
Energy: 1.3221584427012292
Energy: 1.0402824552239085
Energy: 1.3417104701608111
Energy: 1.3899568817784105
Energy: 1.341710470162008
Energy: 1.0402824552245071
Energy: 1.341710470162008
Energy: 1.291367442546095
Energy: 1.3425171135697203
Energy: 1.25133070379188
Energy: 1.3425171135685232
Energy: 1.2913674425454966
Energy: 1.3425171135685232
Energy: 1.0066825834770485
Energy: 1.3236524702087449
Energy: 1.4100172008921532
Energy: 1.3236524702081467
Energy: 1.00668258347645
Energy: 1.3236524702081467
Energy: 1.4693237139604247
Energy: 1.364507098451704
Energy: 1.4722867306795466
Energy: 1.3645070984529009
Energy: 1.4693237139598263
Energy: 1.3645070984529009
Energy: 1.1385317935449168
Energy: 1.3404854733841836
Energy: 1.6311527072904024
Energy: 1.3404854733877742
Energy: 1.1385317935449168
Energy: 1.340485473387176
Energy: 1.1610122898175061
Energy: 1.3520210454970294
Energy: 1.4658247837272673
Energy: 1.3520210454970294
Energy: 1.1610122898175061
Energy: 1.3520210454970294
Energy: 1.1143685202276072
Energy: 1.3240896757234277
Energy: 1.6256580497448663
Energy: 1.3240896757258216
Energy: 1.1143685202282052
Energy: 1.324089675725223
Energy: 1.1614059239664187
Energy: 1.36250894771531
Energy: 1.4046917116583557
Energy: 1.3625089477159087
Energy: 1.1614059239664187
Energy: 1.36250894771531
Energy: 1.24746923500252
Energy: 1.354807174990168
Energy: 1.607059822807747
Energy: 1.3548071749913646
Energy: 1.24746923500252
Energy: 1.3548071749919632
Energy: 1.0699955058942032
Energy: 1.3719498472944203
Energy: 1.2528446227137704
Energy: 1.3719498472932232
Energy: 1.069995505893605
Energy: 1.371949847292625
Energy: 1.255000578187143
Energy: 1.3239638993811953
Energy: 1.457370985524227
Energy: 1.3239638993811953
Energy: 1.2550005781877414
Energy: 1.3239638993811953
Energy: 1.077294510314212
Energy: 1.3456659211239073
Energy: 1.160307671492582
Energy: 1.345665921124506
Energy: 1.07729451031481
Energy: 1.3456659211227107
Energy: 1.3301117012164465
Energy: 1.3342583619326793
Energy: 1.2666127083772103
Energy: 1.3342583619320807
Energy: 1.3301117012170451
Energy: 1.3342583619320807
Energy: 1.114570435930688
Energy: 1.3722222699010862
Energy: 1.1705810155287681
Energy: 1.3722222698998894
Energy: 1.114570435930688
Energy: 1.3722222699004878
Energy: 1.6171097524642992
Energy: 1.3122958595244312
Energy: 1.1291861770417493
Energy: 1.3122958595250298
Energy: 1.6171097524637006
Energy: 1.3122958595250298
Energy: 1.150024982481458
Energy: 1.3544528123210837
Energy: 1.0672493670102325
Energy: 1.3544528123210837
Energy: 1.150024982481458
Energy: 1.3544528123210837
Energy: 1.674852687363354
Energy: 1.2717845511887909
Energy: 1.1317052134896215
Energy: 1.2717845511911843
Energy: 1.674852687363354
Energy: 1.271784551190586
Energy: 1.45440215570069
Energy: 1.3870472279715642
Energy: 1.0818752343723217
Energy: 1.3870472279727608
Energy: 1.4544021557012885
Energy: 1.387047227973958
Energy: 1.9829955314858019
Energy: 1.1444887171931548
Energy: 0.9768151058428867
Energy: 1.144488717196147
Energy: 1.9829955314858019
Energy: 1.1444887171997375
Energy: 1.4934985734460275
Energy: 1.363935408566204
Energy: 1.2268467000208243
Energy: 1.363935408566204
Energy: 1.493498573444831
Energy: 1.363935408566204
Energy: 1.6701301196699923
Energy: 1.2286821503259528
Energy: 1.134071113623864
Energy: 1.2286821503271497
Energy: 1.670130119669394
Energy: 1.2286821503271497
Energy: 1.4533263049359162
Energy: 1.350516811285024
Energy: 1.22784232034913
Energy: 1.3505168112874177
Energy: 1.4533263049347194
Energy: 1.350516811286221
Energy: 1.6757698823223501
Energy: 1.2147188884610747
Energy: 1.0364069118138184
Energy: 1.2147188884610747
Energy: 1.6757698823229488
Energy: 1.2147188884604763
Energy: 1.1500781776404683
Energy: 1.3285025506831225
Energy: 1.211055307768844
Energy: 1.3285025506843193
Energy: 1.150078177641067
Energy: 1.3285025506843193
Energy: 1.4418140849244472
Energy: 1.289568458867445
Energy: 1.0430274830083561
Energy: 1.289568458867445
Energy: 1.4418140849232504
Energy: 1.289568458866847
Energy: 1.1139216585346257
Energy: 1.3121038590949685
Energy: 1.5200906766770719
Energy: 1.312103859095567
Energy: 1.1139216585346257
Energy: 1.3121038590961653
Energy: 1.524013324948363
Energy: 1.3196432618689218
Energy: 1.1427772097992372
Energy: 1.3196432618689218
Energy: 1.5240133249489614
Energy: 1.3196432618695204
Energy: 1.076220919053693
Energy: 1.2488723844331693
Energy: 1.4936004568537256
Energy: 1.2488723844349645
Energy: 1.076220919053693
Energy: 1.2488723844355631
Energy: 1.2377721871728786
Energy: 1.3265556822907096
Energy: 1.1560245636776214
Energy: 1.3265556822919062
Energy: 1.2377721871734773
Energy: 1.3265556822919062
Energy: 1.040204176638836
Energy: 1.2062470263033025
Energy: 1.678136256177368
Energy: 1.2062470263027039
Energy: 1.0402041766406314
Energy: 1.2062470263039007
Energy: 1.2531766976339378
Energy: 1.3854984626178866
Energy: 1.4320625867052148
Energy: 1.3854984626172884
Energy: 1.253176697634536
Energy: 1.3854984626178866
Energy: 1.1464012882837735
Energy: 1.2584794943843363
Energy: 1.6701784476202235
Energy: 1.2584794943837379
Energy: 1.146401288284372
Energy: 1.2584794943831392
Energy: 1.1775906272043815
Energy: 1.3540766766815122
Energy: 1.4085623819910547
Energy: 1.3540766766815122
Energy: 1.1775906272043815
Energy: 1.354076676680914
Energy: 0.9981974581664927
Energy: 1.2966882159821596
Energy: 1.877796592606635
Energy: 1.2966882159803643
Energy: 0.9981974581664927
Energy: 1.2966882159803643
Energy: 1.033552718906505
Energy: 1.3756108221095775
Energy: 1.4323652385598171
Energy: 1.375610822108979
Energy: 1.0335527189059066
Energy: 1.375610822108979
Energy: 1.1813448490395388
Energy: 1.3086336959163158
Energy: 1.6779591034020767
Energy: 1.3086336959169143
Energy: 1.1813448490395388
Energy: 1.3086336959169143
Energy: 1.0893095915324735
Energy: 1.3437589871070796
Energy: 1.1561896238557952
Energy: 1.3437589871070796
Energy: 1.0893095915336704
Energy: 1.3437589871082767
Energy: 1.0644677976346701
Energy: 1.306698033418598
Energy: 1.5747588202288765
Energy: 1.3066980334174012
Energy: 1.0644677976352688
Energy: 1.3066980334168028
Energy: 1.146528071963765
Energy: 1.3630121595607128
Energy: 1.1428144616378073
Energy: 1.3630121595607128
Energy: 1.146528071963765
Energy: 1.3630121595625082

minimum gb energy = 0.973682316655816 eV
minimum distance =  2.27029500515574 Angstroms
sigma value = 67


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

Energy: 0.27451114169692653
Energy: 0.2758751855440664
Energy: 0.8882527818426904
Energy: 0.2758751855440664
Energy: 0.2745111416973356
Energy: 0.27587518554447543
Energy: 0.34689201947155546
Energy: 0.8295206880272927
Energy: 0.7971610621310617
Energy: 0.8295206880272927
Energy: 0.34689201947155546
Energy: 0.8295206880277017
Energy: 0.27451114169692653
Energy: 0.2758751855436574
Energy: 0.8882527818430995
Energy: 0.2758751855436574
Energy: 0.2745111416977446
Energy: 0.2758751855436574
Energy: 0.34689201947155546
Energy: 0.8295206880272927
Energy: 0.797161062121063
Energy: 0.8295206880268837
Energy: 0.34689201947155546
Energy: 0.8295206880277017
Energy: 0.2745111416973356
Energy: 0.27587518554324836
Energy: 1.4663314794095634
Energy: 0.2758751855440664
Energy: 0.27451114169692653
Energy: 0.2758751855440664
Energy: 0.3468920194711919
Energy: 0.8295206880268837
Energy: 0.797161062120654
Energy: 0.8295206880268837
Energy: 0.34689201947155546
Energy: 0.8295206880272927
Energy: 0.2745111416973356
Energy: 0.2758751855436574
Energy: 1.7703274572359673
Energy: 0.27587518554324836
Energy: 0.27451114169692653
Energy: 0.2758751855440664

minimum gb energy = 0.27451114169692653 eV
minimum distance =  2.44843840825769 Angstroms
sigma value = 3


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

Energy: 1.5936153036588958
Energy: 1.2575295062021412
Energy: 1.1668143033776865
Energy: 1.257529506201597
Energy: 1.5936153036578073
Energy: 1.2575295062026857
Energy: 1.912171029259953
Energy: 0.9168749946501238
Energy: 0.9321743309654883
Energy: 0.9168749946501238
Energy: 1.912171029259953
Energy: 0.9168749946495794
Energy: 1.5821888903880854
Energy: 1.254835496282062
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Energy: 0.9732524012608074
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Energy: 1.284587233210433
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Energy: 1.5205609388740138
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Energy: 1.5444038417856862
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Energy: 1.4603573501329021
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Energy: 1.2561672170334295
Energy: 0.9022067886080423
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Energy: 1.2876439944534845
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Energy: 1.339426278558006
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Energy: 1.2334647586751182
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Energy: 1.1562406140865704
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Energy: 1.23346475867403
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Energy: 1.2409086893974601
Energy: 0.9702580808088112
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Energy: 1.1987243726853378
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Energy: 1.1757079542974416
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Energy: 0.983741725273378
Energy: 1.2209915619381515
Energy: 1.0476383595146002
Energy: 1.2575703013835717
Energy: 1.2848748949718367
Energy: 1.2575703013830273
Energy: 1.047638359512423
Energy: 1.2575703013830273
Energy: 0.9406608697071452
Energy: 1.1630785411177413
Energy: 1.424675567379066
Energy: 1.163078541117197
Energy: 0.9406608697071452
Energy: 1.1630785411166529
Energy: 1.0214253215609896
Energy: 1.214276359667371
Energy: 1.2928315691933474
Energy: 1.2142763596662822
Energy: 1.021425321561534
Energy: 1.2142763596679151
Energy: 0.9389286763659491
Energy: 1.1818315722988688
Energy: 1.4551149034345612
Energy: 1.1818315723015898
Energy: 0.9389286763664934
Energy: 1.1818315722988688
Energy: 1.1518230236257758
Energy: 1.247770440798102
Energy: 1.5973397482972513
Energy: 1.2477704407970136
Energy: 1.1518230236268645
Energy: 1.2477704407970136
Energy: 0.93945998176464
Energy: 0.9152878401770222
Energy: 1.6263612799209501
Energy: 0.9152878401770222
Energy: 0.9394599817651843
Energy: 0.9152878401759337
Energy: 0.9227978892662425
Energy: 1.2666536000334665
Energy: 1.6081265616863072
Energy: 1.2666536000345552
Energy: 0.9227978892656982
Energy: 1.266653600034011
Energy: 0.939354966508465
Energy: 1.0693038720269572
Energy: 1.6260536883223635
Energy: 1.0693038720258687
Energy: 0.939354966508465
Energy: 1.0693038720269572
Energy: 0.9432519264198919
Energy: 1.2471671617636217
Energy: 1.5972243883456456
Energy: 1.247167161764166
Energy: 0.943251926420436
Energy: 1.247167161764166
Energy: 0.8907730489922834
Energy: 0.924465326803211
Energy: 1.6571238566942224
Energy: 0.9244653268026669
Energy: 0.8907730489933718
Energy: 0.9244653268026669
Energy: 1.1322843582428075
Energy: 1.2226376025632346
Energy: 1.292504007896366
Energy: 1.222637602565956
Energy: 1.132284358243352
Energy: 1.2226376025648675
Energy: 0.9621449297308848
Energy: 1.1987725258097017
Energy: 1.3606079480816125
Energy: 1.1987725258102462
Energy: 0.9621449297303405
Energy: 1.1987725258086135
Energy: 1.3204016047914802
Energy: 1.2102118190277436
Energy: 1.2851509519382498
Energy: 1.2102118190261109
Energy: 1.320401604793657
Energy: 1.2102118190293765

minimum gb energy = 0.887680144239359 eV
minimum distance =  2.25005439182119 Angstroms
sigma value = 81


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

Energy: 1.698854568501551
Energy: 1.485472220254009
Energy: 1.3102252807222095
Energy: 1.485472220252515
Energy: 1.698854568500804
Energy: 1.4854722202517678
Energy: 1.9141945736525268
Energy: 1.0253621142923053
Energy: 1.0504401609228087
Energy: 1.0253621142923053
Energy: 1.9141945736525268
Energy: 1.0253621142923053
Energy: 1.598977980653719
Energy: 1.4199860232524097
Energy: 1.3523822858252226
Energy: 1.4199860232516628
Energy: 1.598977980653719
Energy: 1.4199860232516628
Energy: 1.7639651069195135
Energy: 1.0976778028479204
Energy: 1.0788161000422336
Energy: 1.0976778028464267
Energy: 1.7639651069187665
Energy: 1.0976778028471734
Energy: 1.217587433834211
Energy: 1.4078234215186456
Energy: 1.327061419243807
Energy: 1.407823421519393
Energy: 1.217587433834211
Energy: 1.4078234215186456
Energy: 1.5989126924147414
Energy: 1.4057296631299174
Energy: 1.2145372521475144
Energy: 1.4057296631276763
Energy: 1.5989126924154882
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Energy: 1.1325560685141025
Energy: 1.4318940711726562
Energy: 1.3524854567325004
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Energy: 1.1325560685148495
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Energy: 1.423060091364812
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Energy: 1.5621934824126
Energy: 1.4335306018377312
Energy: 1.0227920447529453
Energy: 1.4335306018377312
Energy: 1.021866808908792
Energy: 1.3315974734400053
Energy: 1.7801471832362539
Energy: 1.3315974734392584
Energy: 1.021866808908792
Energy: 1.3315974734385116
Energy: 1.0930990669784428
Energy: 1.416261435663139
Energy: 1.5762303119489887
Energy: 1.416261435662392
Energy: 1.0930990669776959
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Energy: 1.140561765787027
Energy: 1.374805927172178
Energy: 1.488412348286339
Energy: 1.3748059271714308
Energy: 1.140561765787774
Energy: 1.374805927172178
Energy: 1.0874807725152564
Energy: 1.4337790160439772
Energy: 1.232932025634309
Energy: 1.4337790160439772
Energy: 1.0874807725160034
Energy: 1.4337790160439772
Energy: 1.1661514965776023
Energy: 1.429431271912981
Energy: 1.4685687557176128
Energy: 1.4294312719122337
Energy: 1.1661514965783493
Energy: 1.429431271912981
Energy: 1.5546072393228192
Energy: 1.4063244241639203
Energy: 1.2100692431885998
Energy: 1.4063244241631734
Energy: 1.5546072393235664
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Energy: 1.5496373712213525
Energy: 1.4629311387578643
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Energy: 1.4917748056850717
Energy: 1.4369129551273454
Energy: 1.0764919813059075
Energy: 1.436912955125851
Energy: 1.4917748056835776
Energy: 1.4369129551280921
Energy: 1.4928411353396605
Energy: 1.4600636209988398
Energy: 1.296933116631898
Energy: 1.4600636209980928
Energy: 1.4928411353396605
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Energy: 1.7289554054721827
Energy: 1.3577224825436507
Energy: 1.0324110105468902
Energy: 1.3577224825429037
Energy: 1.7289554054744238
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Energy: 1.718992014355731
Energy: 1.439930519791271
Energy: 1.0264911643085546
Energy: 1.439930519790524
Energy: 1.7189920143691768
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Energy: 1.4930540952688238
Energy: 1.4542520305967115
Energy: 1.1792747470001734
Energy: 1.4542520305959645
Energy: 1.4930540952688238
Energy: 1.4542520305967115
Energy: 1.3615115103794537
Energy: 1.4666653521054291
Energy: 1.053946813056774
Energy: 1.4666653521046824
Energy: 1.3615115103884177
Energy: 1.4666653521046824
Energy: 1.4836524303471812
Energy: 1.4471022212550695
Energy: 1.095775261143571
Energy: 1.4471022212550695
Energy: 1.4836524303471812
Energy: 1.4471022212550695
Energy: 1.5464071230778538
Energy: 1.432652908983018
Energy: 1.1566883798614853
Energy: 1.4326529089837652
Energy: 1.5464071230786005
Energy: 1.4326529089837652
Energy: 1.1557560297280742
Energy: 1.4079635317264636
Energy: 1.2851694391751785
Energy: 1.4079635317257169
Energy: 1.1557560297280742
Energy: 1.40796353172497
Energy: 1.1515792699688183
Energy: 1.4569416899255616
Energy: 1.2200354838064036
Energy: 1.4569416899263083
Energy: 1.1515792699688183
Energy: 1.4569416899255616
Energy: 1.167683236817103
Energy: 1.374805927172925
Energy: 1.5230417737791702
Energy: 1.374805927173672
Energy: 1.16768323681785
Energy: 1.374805927173672
Energy: 1.1293587406338228
Energy: 1.4680151240700707
Energy: 1.5719278885624066
Energy: 1.4680151240700707
Energy: 1.1293587406338228
Energy: 1.4680151240700707
Energy: 1.0559742417681846
Energy: 1.4423618316469653
Energy: 1.729871791000938
Energy: 1.4423618316462183
Energy: 1.0559742417681846
Energy: 1.4423618316469653
Energy: 1.0202022372287158
Energy: 1.4173427343225282
Energy: 1.5621100524790938
Energy: 1.417342734321034
Energy: 1.0202022372287158
Energy: 1.417342734321034
Energy: 1.018805488107414
Energy: 1.1058553800676165
Energy: 1.6205229089824869
Energy: 1.1058553800676165
Energy: 1.018805488107414
Energy: 1.1058553800676165
Energy: 1.1549544174145085
Energy: 1.4676140429876712
Energy: 1.5719712782082695
Energy: 1.4676140429876712
Energy: 1.1549544174145085
Energy: 1.4676140429869242
Energy: 1.013661676215217
Energy: 1.2020340872282476
Energy: 1.5147217853480472
Energy: 1.2020340872297417
Energy: 1.013661676215217
Energy: 1.2020340872289943
Energy: 1.275075622388586
Energy: 1.4201421340683458
Energy: 1.2154019274797794
Energy: 1.4201421340683458
Energy: 1.275075622388586
Energy: 1.4201421340675988
Energy: 1.1324787133862337
Energy: 1.4252647329379622
Energy: 1.3140252428365296
Energy: 1.4252647329364683
Energy: 1.132478713385487
Energy: 1.4252647329357213

minimum gb energy = 1.013661676215217 eV
minimum distance =  2.16315421111421 Angstroms
sigma value = 43


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

Energy: 1.6641156512614987
Energy: 1.5815229472092605
Energy: 1.4574422506788076
Energy: 1.581522947210178
Energy: 1.6641156512614987
Energy: 1.581522947210178
Energy: 1.8508965023621482
Energy: 1.142811592869402
Energy: 1.1190197027778783
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Energy: 1.8508965023612305
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Energy: 1.2042005962932212
Energy: 1.5251053924226505
Energy: 1.2302134510703384
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Energy: 1.6805579023030959
Energy: 1.0656444011770796
Energy: 1.055104053101971
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Energy: 1.435578298918158
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Energy: 1.31313406852147
Energy: 1.5637616517592654
Energy: 1.1222942642372926
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Energy: 1.3131340685205526
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Energy: 1.0518376512384813
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Energy: 1.5468290702789103
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Energy: 1.1890772217741725
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Energy: 1.8644847739963737
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Energy: 1.065117056942823
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Energy: 1.584377270743886
Energy: 1.654500573447433
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Energy: 1.1070828144651086
Energy: 1.5843772707429682
Energy: 1.1355869562553818
Energy: 1.5667628068402457
Energy: 1.340203199123341
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Energy: 1.5667628068402457
Energy: 1.0650603705527495
Energy: 1.5469607106194496
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Energy: 1.0650603705536672
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Energy: 1.0652303446973141
Energy: 1.0655267426845845
Energy: 1.5424755107769854
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Energy: 1.0549653967439265
Energy: 1.5550853447621749
Energy: 1.1319065244056674
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Energy: 1.0549653967439265
Energy: 1.5550853447630923
Energy: 1.135779972190285
Energy: 1.5299321375756774
Energy: 1.067395579924213
Energy: 1.529932137576595
Energy: 1.1357799721893678
Energy: 1.529932137576595
Energy: 1.3389458041054882
Energy: 1.2969772726238356
Energy: 1.051122056939521
Energy: 1.296977272622918
Energy: 1.3389458041054882
Energy: 1.2969772726238356
Energy: 1.6359126930050816
Energy: 1.5376815755402293
Energy: 1.5867944122317672
Energy: 1.5376815755402293
Energy: 1.6359126930050816
Energy: 1.5376815755402293
Energy: 1.368004680473578
Energy: 1.5368237074743387
Energy: 1.0726824996655113
Energy: 1.5368237074752562
Energy: 1.368004680473578
Energy: 1.5368237074752562
Energy: 1.5711633052494838
Energy: 1.5727762094537012
Energy: 1.0673165448642705
Energy: 1.5727762094537012
Energy: 1.5711633052494838
Energy: 1.5727762094527837
Energy: 1.6347811732852586
Energy: 1.540731686239577
Energy: 1.0514147286758522
Energy: 1.540731686239577
Energy: 1.6347811732852586
Energy: 1.5407316862386595
Energy: 1.6358518802197073
Energy: 1.6540661178493994
Energy: 1.064866463132143
Energy: 1.6540661178503173
Energy: 1.6358518802197073
Energy: 1.6540661178493994
Energy: 1.1372581700843563
Energy: 1.537108360884102
Energy: 1.0660733551941342
Energy: 1.537108360884102
Energy: 1.1372581700843563
Energy: 1.5371083608831846
Energy: 1.1365155605160704
Energy: 1.5559023114816477
Energy: 1.1240927723280334
Energy: 1.5559023114816477
Energy: 1.1365155605151527
Energy: 1.5559023114816477
Energy: 1.065135128255524
Energy: 1.5370653033508155
Energy: 1.0500537693498668
Energy: 1.5370653033508155
Energy: 1.065135128255524
Energy: 1.5370653033508155
Energy: 1.0649712727059757
Energy: 1.6427732987477013
Energy: 1.2142280682564703
Energy: 1.6427732987477013
Energy: 1.0649712727050582
Energy: 1.6427732987486188
Energy: 1.1337927546154816
Energy: 1.5620363349748891
Energy: 1.3413066211239748
Energy: 1.5620363349748891
Energy: 1.1337927546154816
Energy: 1.5620363349748891
Energy: 1.1057958834245398
Energy: 1.579656071753171
Energy: 1.5695611570029078
Energy: 1.579656071753171
Energy: 1.1057958834245398
Energy: 1.579656071753171
Energy: 1.0666913121473816
Energy: 1.5976232734710527
Energy: 1.367750130559078
Energy: 1.5976232734710527
Energy: 1.0666913121464643
Energy: 1.5976232734710527
Energy: 1.1911066127345091
Energy: 1.5467486785669486
Energy: 1.2142710484543482
Energy: 1.5467486785669486
Energy: 1.1911066127335916
Energy: 1.5467486785669486
Energy: 1.0545914337389208
Energy: 1.2957958972895087
Energy: 1.3402244402227748
Energy: 1.2957958972904264
Energy: 1.0545914337389208
Energy: 1.2957958972895087
Energy: 1.091871966574165
Energy: 1.545943799171489
Energy: 1.1236216187574897
Energy: 1.545943799171489
Energy: 1.0918719665732475
Energy: 1.5459437991705716

minimum gb energy = 1.0500537693498668 eV
minimum distance =  2.16819145198063 Angstroms
sigma value = 57


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

Energy: 1.358762495887982
Energy: 1.7148744130698583
Energy: 1.6245615660865163
Energy: 1.7148744130698583
Energy: 1.35876249588917
Energy: 1.7148744130686704
Energy: 1.5099221844583866
Energy: 1.252083127507069
Energy: 1.146620617681503
Energy: 1.252083127508257
Energy: 1.5099221844571984
Energy: 1.252083127507069
Energy: 1.1629355550973717
Energy: 1.6975443519245013
Energy: 1.335777942248205
Energy: 1.6975443519245013
Energy: 1.1629355550961837
Energy: 1.6975443519245013
Energy: 1.4994816296917723
Energy: 1.147535686408768
Energy: 1.1411833511013607
Energy: 1.14753568640758
Energy: 1.4994816296929603
Energy: 1.14753568640758
Energy: 1.1402494058153205
Energy: 1.1839172376183031
Energy: 1.4620745703093623
Energy: 1.1839172376183031
Energy: 1.1402494058153205
Energy: 1.183917237619491
Energy: 1.1528952144173616
Energy: 1.7579533205164628
Energy: 1.1559035694027773
Energy: 1.7579533205164628
Energy: 1.1528952144173616
Energy: 1.757953320517651
Energy: 1.1455518793192134
Energy: 1.4409182362128385
Energy: 1.50734537508242
Energy: 1.4409182362128385
Energy: 1.1455518793192134
Energy: 1.4409182362128385
Energy: 1.168762009894525
Energy: 1.7568451278901223
Energy: 1.3601156967126844
Energy: 1.7568451278901223
Energy: 1.168762009894525
Energy: 1.7568451278889339
Energy: 1.1472352335199751
Energy: 1.2524817477566312
Energy: 1.4690066137152828
Energy: 1.2524817477566312
Energy: 1.147235233521163
Energy: 1.2524817477566312
Energy: 1.144916057378221
Energy: 1.7363875676534126
Energy: 1.152950512741147
Energy: 1.7363875676534126
Energy: 1.144916057378221
Energy: 1.7363875676546006
Energy: 1.1456963617802431
Energy: 1.1466533843749898
Energy: 1.1413507780687024
Energy: 1.1466533843749898
Energy: 1.1456963617802431
Energy: 1.1466533843749898
Energy: 1.3222280809758835
Energy: 1.4352035713166393
Energy: 1.13528908363401
Energy: 1.4352035713166393
Energy: 1.3222280809758835
Energy: 1.4352035713166393
Energy: 1.2315948114493376
Energy: 1.7087514953265097
Energy: 1.2553701179939598
Energy: 1.7087514953265097
Energy: 1.2315948114493376
Energy: 1.7087514953265097
Energy: 1.524587527677209
Energy: 1.4672165474217311
Energy: 1.1513921106049514
Energy: 1.4672165474205432
Energy: 1.524587527677209
Energy: 1.4672165474217311
Energy: 1.924029604107227
Energy: 1.745834934966339
Energy: 1.161603735122337
Energy: 1.7458349349675268
Energy: 1.924029604107227
Energy: 1.745834934966339
Energy: 1.127650558195083
Energy: 1.7062279001578835
Energy: 1.2347141355179028
Energy: 1.7062279001578835
Energy: 1.127650558195083
Energy: 1.7062279001578835
Energy: 1.2311329713725696
Energy: 1.4351280530480404
Energy: 1.145653175477556
Energy: 1.4351280530480404
Energy: 1.2311329713737578
Energy: 1.4351280530480404
Energy: 1.1422030271794592
Energy: 1.4874633712259557
Energy: 1.1422234989633568
Energy: 1.4874633712259557
Energy: 1.1422030271794592
Energy: 1.4874633712259557
Energy: 1.1457009745007454
Energy: 1.436059529640716
Energy: 1.2312622045635078
Energy: 1.436059529641904
Energy: 1.1457009745007454
Energy: 1.436059529640716
Energy: 1.2337426076213458
Energy: 1.7062780697307285
Energy: 1.127342354685726
Energy: 1.7062780697307285
Energy: 1.2337426076213458
Energy: 1.7062780697307285
Energy: 1.1614581312932544
Energy: 1.7459490573775824
Energy: 1.9238757720408473
Energy: 1.7459490573787704
Energy: 1.1614581312932544
Energy: 1.7459490573763945
Energy: 1.1513661398976818
Energy: 1.4584356326467216
Energy: 1.5241006255256069
Energy: 1.4584356326455339
Energy: 1.1513661398976818
Energy: 1.4584356326467216
Energy: 1.210842564540135
Energy: 1.7091413625898804
Energy: 1.2314201990912352
Energy: 1.7091413625898804
Energy: 1.210842564540135
Energy: 1.7091413625898804
Energy: 1.135314754117469
Energy: 1.4352159330188148
Energy: 1.3221903763825187
Energy: 1.4352159330200027
Energy: 1.135314754117469
Energy: 1.4352159330188148

minimum gb energy = 1.127342354685726 eV
minimum distance =  2.19093506249429 Angstroms
sigma value = 17


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

Energy: 1.2324010842167885
Energy: 1.2314999575503496
Energy: 1.7854412577065768
Energy: 1.2314999575520296
Energy: 1.2324010842167885
Energy: 1.2314999575520296
Energy: 1.2738972216651598
Energy: 1.2439762015832563
Energy: 1.2441091424337827
Energy: 1.2439762015849363
Energy: 1.2738972216651598
Energy: 1.2439762015832563
Energy: 1.2502585991245774
Energy: 1.2539367408070805
Energy: 1.495786953855128
Energy: 1.2539367408070805
Energy: 1.2502585991228972
Energy: 1.2539367408070805
Energy: 1.491274656460528
Energy: 1.2515419517066648
Energy: 1.2491438322216513
Energy: 1.2515419517066648
Energy: 1.491274656460528
Energy: 1.2515419517066648
Energy: 1.2392598621800874
Energy: 1.2396046307699748
Energy: 1.573385582022865
Energy: 1.2396046307682946
Energy: 1.2392598621800874
Energy: 1.2396046307682946
Energy: 1.2501353255448373
Energy: 1.2368942693700835
Energy: 1.2341204837168125
Energy: 1.2368942693700835
Energy: 1.2501353255448373
Energy: 1.2368942693700835
Energy: 1.247302587546698
Energy: 1.4479168641353555
Energy: 1.2753529327048798
Energy: 1.4479168641353555
Energy: 1.247302587546698
Energy: 1.4479168641353555
Energy: 1.470865676545772
Energy: 1.3903355839080538
Energy: 1.2493313241721946
Energy: 1.3903355839080538
Energy: 1.470865676545772
Energy: 1.3903355839080538
Energy: 1.23934866073909
Energy: 1.2494167790710782
Energy: 1.4151741528525223
Energy: 1.2494167790710782
Energy: 1.23934866073909
Energy: 1.2494167790710782
Energy: 1.4820841449828597
Energy: 1.216362549491898
Energy: 1.2389367937563098
Energy: 1.216362549491898
Energy: 1.4820841449828597
Energy: 1.216362549491898
Energy: 1.2403586508139637
Energy: 1.6493597144090089
Energy: 1.251139830751143
Energy: 1.6493597144073286
Energy: 1.2403586508122837
Energy: 1.6493597144090089
Energy: 1.2390150912430062
Energy: 1.2379498039457884
Energy: 1.2510148125567846
Energy: 1.2379498039457884
Energy: 1.2390150912446862
Energy: 1.2379498039457884
Energy: 1.2390439458487683
Energy: 1.391989033602448
Energy: 1.2375296728760432
Energy: 1.391989033602448
Energy: 1.2390439458487683
Energy: 1.391989033602448
Energy: 1.310226067754754
Energy: 1.2379910586664298
Energy: 1.238828109855917
Energy: 1.2379910586664298
Energy: 1.310226067754754
Energy: 1.2379910586664298
Energy: 1.2427900523158448
Energy: 1.6509813543264367
Energy: 1.2496087516562397
Energy: 1.6509813543281167
Energy: 1.2427900523158448
Energy: 1.6509813543281167
Energy: 1.2459870623765237
Energy: 1.6475599243838601
Energy: 1.2413017420890815
Energy: 1.6475595995553978
Energy: 1.2459870623748437
Energy: 1.6475598923008699
Energy: 1.2586155475959602
Energy: 1.2378310927227616
Energy: 1.2376714729222777
Energy: 1.2378310927261218
Energy: 1.2586155475959602
Energy: 1.2378310927244418

minimum gb energy = 1.216362549491898 eV
minimum distance =  2.26352557499036 Angstroms
sigma value = 17


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

Energy: 1.7898881946890752
Energy: 1.9661946714342158
Energy: 1.8452165863431351
Energy: 1.9661946714348646
Energy: 1.7898881946897243
Energy: 1.9661946714342158
Energy: 1.6190176526086688
Energy: 1.280029574551035
Energy: 1.2607015783024118
Energy: 1.280029574551035
Energy: 1.6190176526106153
Energy: 1.2800295745516543
Energy: 1.2509997621673694
Energy: 1.3324574842504684
Energy: 1.5492450920500944
Energy: 1.3324574842498198
Energy: 1.2509997621667204
Energy: 1.3324574842511172
Energy: 1.5288234440236126
Energy: 1.79105523309673
Energy: 1.3313535203085676
Energy: 1.79105523309673
Energy: 1.5288234440236126
Energy: 1.79105523309673
Energy: 1.2589005595667766
Energy: 1.326720446723573
Energy: 1.6585816103240303
Energy: 1.3267204467229243
Energy: 1.2589005595667766
Energy: 1.3267204467222755
Energy: 1.676751565934178
Energy: 1.7633328669066257
Energy: 1.439403676453635
Energy: 1.7633328669072745
Energy: 1.676751565935476
Energy: 1.763332866905977
Energy: 1.2603046822624315
Energy: 1.3603550924674697
Energy: 1.592562224965781
Energy: 1.3603550924674697
Energy: 1.2603046822624315
Energy: 1.3603550924681185
Energy: 1.699415762985748
Energy: 1.508023568583941
Energy: 1.2537415157451344
Energy: 1.5080235686507384
Energy: 1.6994157629850994
Energy: 1.5080235682220835
Energy: 1.4039535095980142
Energy: 1.803832511954824
Energy: 1.2887353574155536
Energy: 1.8038325119554728
Energy: 1.4039535095973654
Energy: 1.8038325119567704
Energy: 1.7734188962509934
Energy: 1.3356443991877402
Energy: 1.2625528936671424
Energy: 1.3356443991877402
Energy: 1.773418896251642
Energy: 1.3356443991883888
Energy: 1.3370610819704698
Energy: 1.841484361073384
Energy: 1.3614123145594796
Energy: 1.8414843610720866
Energy: 1.337061081969821
Energy: 1.8414843610727354
Energy: 1.273981303961377
Energy: 1.8819521257089955
Energy: 1.2649384835668867
Energy: 1.8819521257083467
Energy: 1.2739813039594305
Energy: 1.8819521257083467
Energy: 1.2612882008716386
Energy: 1.5173643745404768
Energy: 1.7245713420246995
Energy: 1.5173643745404768
Energy: 1.2612882008722874
Energy: 1.5173643745404768
Energy: 1.291318462537793
Energy: 1.8628663578182683
Energy: 1.86402337110918
Energy: 1.862866357816322
Energy: 1.291318462537793
Energy: 1.8628663578182683
Energy: 1.2872215226897563
Energy: 1.9141912047537608
Energy: 1.346956412188553
Energy: 1.9141912047537608
Energy: 1.2872215226904051
Energy: 1.9141912047544096
Energy: 1.3976269181989955
Energy: 1.8708031621373957
Energy: 1.2663393655344426
Energy: 1.8708031621373957
Energy: 1.3976269181989955
Energy: 1.8708031621373957
Energy: 1.3973770085017365
Energy: 1.8662900635952322
Energy: 1.3193633529841864
Energy: 1.8662900635952322
Energy: 1.3973770085023856
Energy: 1.8662900635952322
Energy: 1.933440032795084
Energy: 1.724380666140529
Energy: 1.2926903336607871
Energy: 1.724380666140529
Energy: 1.933440032795084
Energy: 1.724380666140529
Energy: 1.6928635803560725
Energy: 1.6736564976193489
Energy: 1.271509036819065
Energy: 1.6736564976212953
Energy: 1.6928635803573704
Energy: 1.673656497622593
Energy: 1.2690784196131975
Energy: 1.6761960484331004
Energy: 1.2690562861181556
Energy: 1.676196048424017
Energy: 1.269078419614495
Energy: 1.6761960484233682
Energy: 1.271558967799729
Energy: 1.6731834923817395
Energy: 1.7547756230143141
Energy: 1.6731834923804416
Energy: 1.2715589677990802
Energy: 1.6731834923810904
Energy: 1.2926958946452243
Energy: 1.7242733275932332
Energy: 1.9349461556031118
Energy: 1.7242733275912867
Energy: 1.292695894645873
Energy: 1.7242733275912867
Energy: 1.2903862417504908
Energy: 1.8454746867401988
Energy: 1.3900027308250453
Energy: 1.8454746867408474
Energy: 1.290386241749842
Energy: 1.8454746867408474
Energy: 1.2653367758662124
Energy: 1.5437270461904213
Energy: 1.396625515728433
Energy: 1.5437270461943138
Energy: 1.2653367758655636
Energy: 1.54372704619107
Energy: 1.3472334825890742
Energy: 1.9141083759276265
Energy: 1.2899899587921098
Energy: 1.9141083759276265
Energy: 1.3472334825877765
Energy: 1.9141083759269775
Energy: 1.864195163262014
Energy: 1.7212962815541692
Energy: 1.2912387355516843
Energy: 1.7212962815580624
Energy: 1.864195163262014
Energy: 1.7212962815567645
Energy: 1.7244580153811897
Energy: 1.5174181647738847
Energy: 1.2613511948005158
Energy: 1.5174181647725873
Energy: 1.7244580153818387
Energy: 1.5174181647719382
Energy: 1.2650183930915442
Energy: 1.8820188951499919
Energy: 1.2737811868787914
Energy: 1.882018895148694
Energy: 1.265018393092193
Energy: 1.8820188951480452
Energy: 1.5284804667197824
Energy: 1.8506807050836036
Energy: 1.3374435035471752
Energy: 1.8506807050836036
Energy: 1.5284804667191338
Energy: 1.8506807050816574
Energy: 1.262556638996538
Energy: 1.6023411422913898
Energy: 1.774151522762906
Energy: 1.602341142290741
Energy: 1.262556638996538
Energy: 1.602341142290741
Energy: 1.288200329823379
Energy: 1.8044133862519767
Energy: 1.4045668077448203
Energy: 1.8044133862390004
Energy: 1.2882003298240277
Energy: 1.8044133862565184
Energy: 1.253699380750365
Energy: 1.5085608652137952
Energy: 1.6994315975482777
Energy: 1.5085608652131466
Energy: 1.253699380749716
Energy: 1.5085608652124978
Energy: 1.5920867830659442
Energy: 1.3607465263118537
Energy: 1.2603079247084228
Energy: 1.3607465263125025
Energy: 1.5920867830646466
Energy: 1.3607465263118537
Energy: 1.3960101020801883
Energy: 1.9095330159125121
Energy: 1.677109020183264
Energy: 1.909533015913161
Energy: 1.3960101020795395
Energy: 1.909533015913161
Energy: 1.5669405935654428
Energy: 1.3267204467255196
Energy: 1.2587410732276576
Energy: 1.3267204467255196
Energy: 1.5669405935673892
Energy: 1.3267204467248706
Energy: 1.3320200401435152
Energy: 1.7912581833847332
Energy: 1.5288910469991326
Energy: 1.791258183385382
Energy: 1.3320200401441642
Energy: 1.791258183385382
Energy: 1.5496199711520058
Energy: 1.3330934196687438
Energy: 1.2508309547605827
Energy: 1.3330934196687438
Energy: 1.5496199711526544
Energy: 1.3330934196693924
Energy: 1.2607368817129816
Energy: 1.2799696666687836
Energy: 1.6188980059220694
Energy: 1.2799696666687836
Energy: 1.2607368817129816
Energy: 1.2799696666687836
Energy: 1.5740003532803057
Energy: 1.9661946714342158
Energy: 1.7898881946897243
Energy: 1.9661946714348646
Energy: 1.5740003532809548
Energy: 1.9661946714348646
Energy: 1.2607015783030606
Energy: 1.280029574551035
Energy: 1.6190176526099664
Energy: 1.280029574551035
Energy: 1.2607015783024118
Energy: 1.280029574551035
Energy: 1.5492450920688805
Energy: 1.3324574842485222
Energy: 1.2509997621660718
Energy: 1.3324574842478731
Energy: 1.5492450920721244
Energy: 1.332457484249171
Energy: 1.3313535203066211
Energy: 1.7910552330973788
Energy: 1.5288234440249102
Energy: 1.7910552330980274
Energy: 1.33135352030727
Energy: 1.7910552330980274
Energy: 1.6585816103266255
Energy: 1.3267204467222755
Energy: 1.258900559566128
Energy: 1.3267204467222755
Energy: 1.6585816103272744
Energy: 1.3267204467216267

minimum gb energy = 1.2508309547605827 eV
minimum distance =  2.24895999550851 Angstroms
sigma value = 57


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

Energy: 1.3801113161636636
Energy: 2.0392838256044894
Energy: 1.6753732789768963
Energy: 2.039283825603433
Energy: 1.3801113161626068
Energy: 2.0392838256044894
Energy: 1.3604446991135668
Energy: 1.262941034606462
Energy: 1.2626741431448094
Energy: 1.262941034608575
Energy: 1.3604446991146235
Energy: 1.2629410346075187
Energy: 1.2396273946258405
Energy: 1.3762931332633992
Energy: 1.7146813255417073
Energy: 1.3762931332655122
Energy: 1.2396273946258405
Energy: 1.376293133264456
Energy: 1.6495272251654576
Energy: 1.355671563273653
Energy: 1.3552956198474309
Energy: 1.3556715632725966
Energy: 1.6495272251654576
Energy: 1.3556715632694274
Energy: 1.2434288303819945
Energy: 1.3400289730326427
Energy: 1.4354969010719736
Energy: 1.3400289730326427
Energy: 1.2434288303819945
Energy: 1.3400289730326427
Energy: 1.6501730699747728
Energy: 1.3557996104159749
Energy: 1.3552142407575176
Energy: 1.3557996104170313
Energy: 1.6501730699747728
Energy: 1.3557996104212573
Energy: 1.239942459119037
Energy: 1.3852823998000197
Energy: 1.7292019197719448
Energy: 1.3852823997989632
Energy: 1.23994245912115
Energy: 1.3852823997989632
Energy: 1.641944197483296
Energy: 1.3027966150496029
Energy: 1.2617117355915974
Energy: 1.3027966150517156
Energy: 1.6419441974811833
Energy: 1.3027966150496029
Energy: 1.3837260607255857
Energy: 2.0095760759796377
Energy: 1.2645096010237815
Energy: 2.0095760759796377
Energy: 1.3837260607245296
Energy: 2.0095760759796377
Energy: 1.7152638480588738
Energy: 1.2666166231866416
Energy: 1.2665571949974472
Energy: 1.266616623187698
Energy: 1.7152638480588738
Energy: 1.2666166231887543
Energy: 1.240034390924574
Energy: 1.6385917122695501
Energy: 1.6415667869345276
Energy: 1.6385917122706066
Energy: 1.2400343909235176
Energy: 1.6385917122695501
Energy: 1.3225233366827178
Energy: 1.3740935541470751
Energy: 1.3719872953627061
Energy: 1.3740935541470751
Energy: 1.3225233366837743
Energy: 1.3740935541481316
Energy: 1.2433880495259058
Energy: 1.7319669864980736
Energy: 1.385802420303057
Energy: 1.7319669864991298
Energy: 1.2433880495259058
Energy: 1.7319669864980736
Energy: 1.3965750563162151
Energy: 1.6500012022005137
Energy: 1.3612439436401613
Energy: 1.6500012021973445
Energy: 1.3965750563141022
Energy: 1.650001202198401
Energy: 1.2474970200230613
Energy: 1.3953939159372577
Energy: 1.2643613917003576
Energy: 1.395393915938314
Energy: 1.2474970200220048
Energy: 1.3953939159393705
Energy: 1.7178489713440048
Energy: 1.9699848889265126
Energy: 1.2665683684535973
Energy: 1.969984888927569
Energy: 1.7178489713440048
Energy: 1.969984888927569
Energy: 1.3925837637722154
Energy: 1.9614887198826563
Energy: 1.27794085335611
Energy: 1.9614887198826563
Energy: 1.392583763771159
Energy: 1.9614887198815998
Energy: 1.3910006598253004
Energy: 1.3962707541370232
Energy: 1.275467278434789
Energy: 1.396270754131741
Energy: 1.3910006598273654
Energy: 1.3962707541401924
Energy: 1.2478379664960002
Energy: 1.6425691999592573
Energy: 1.3911400394130335
Energy: 1.6425691999603138
Energy: 1.2478379664970567
Energy: 1.6425691999603138
Energy: 1.3918833188595234
Energy: 1.982439515139612
Energy: 1.3883660232810493
Energy: 1.9824395151406684
Energy: 1.3918833188595234
Energy: 1.9824395151406684
Energy: 1.251203061881482
Energy: 1.9714193236186006
Energy: 1.390853036264442
Energy: 1.9714193236186006
Energy: 1.251203061881482
Energy: 1.9714193236186006
Energy: 1.2544595947902977
Energy: 1.642092333022695
Energy: 1.3885340430825257
Energy: 1.6420923330216386
Energy: 1.2544595947902977
Energy: 1.6420923330195258
Energy: 1.2567066065719878
Energy: 1.3867815774656134
Energy: 1.2782753345332836
Energy: 1.3867815774761774
Energy: 1.2567066065719878
Energy: 1.3867815774656134
Energy: 1.4112029517296263
Energy: 1.9670758886115614
Energy: 1.2762495478658387
Energy: 1.9670758886115614
Energy: 1.4112029517296263
Energy: 1.967075888610505
Energy: 1.4086281927998543
Energy: 1.9922820524020124
Energy: 1.272932094301563
Energy: 1.9922820524030689
Energy: 1.4086281928009108
Energy: 1.9922820524030689
Energy: 1.254402496049286
Energy: 1.3943313522267085
Energy: 1.272507450848833
Energy: 1.3943313522203702
Energy: 1.2544024960503426
Energy: 1.3943313522267085
Energy: 1.2565068168163056
Energy: 1.6423645618582152
Energy: 1.3837916312162732
Energy: 1.642364561857159
Energy: 1.2565068168173619
Energy: 1.6423645618582152

minimum gb energy = 1.2396273946258405 eV
minimum distance =  2.23719635216497 Angstroms
sigma value = 43


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

Energy: 1.543522302249418
Energy: 2.039409409813131
Energy: 1.9288178232130768
Energy: 2.0394094098123614
Energy: 1.5435223022486482
Energy: 2.0394094098123614
Energy: 1.3743592743368114
Energy: 1.3114944103022923
Energy: 1.2848711717009014
Energy: 1.3114944103022923
Energy: 1.374359274337581
Energy: 1.3114944103015225
Energy: 1.280700794726461
Energy: 1.3987432811307026
Energy: 1.691675739523406
Energy: 1.3987432811314724
Energy: 1.280700794726461
Energy: 1.3987432811314724
Energy: 1.847735394015126
Energy: 1.9630398139442455
Energy: 1.392082706799356
Energy: 1.9630398139442455
Energy: 1.8477353940158958
Energy: 1.9630398139442455
Energy: 1.284378939522694
Energy: 1.3779905031907258
Energy: 1.4942783830920003
Energy: 1.3779905031914956
Energy: 1.284378939522694
Energy: 1.3779905031914956
Energy: 1.6893192840585558
Energy: 1.3701645931906596
Energy: 1.284115947504554
Energy: 1.3701645931906596
Energy: 1.6893192840577862
Energy: 1.37016459318989
Energy: 1.285561594035161
Energy: 1.3861659858391653
Energy: 1.7792300992291767
Energy: 1.386165985837626
Energy: 1.2855615940359308
Energy: 1.386165985837626
Energy: 1.441369872258787
Energy: 1.3755414326370345
Energy: 1.2858521763717838
Energy: 1.3755414326378042
Energy: 1.4413698722603265
Energy: 1.3755414326378042
Energy: 1.3940920119409133
Energy: 1.9098555387818088
Energy: 1.6804406115659936
Energy: 1.9098555387818088
Energy: 1.394092011941683
Energy: 1.9098555387810392
Energy: 1.5814452944302977
Energy: 1.3986203123422962
Energy: 1.2841634915052476
Energy: 1.3986203123422962
Energy: 1.5814452944310675
Energy: 1.3986203123430658
Energy: 1.2807109941779602
Energy: 1.3383298580156981
Energy: 1.6726503268708135
Energy: 1.3383298580156981
Energy: 1.2807109941771906
Energy: 1.3383298580156981
Energy: 1.323069060360459
Energy: 1.9394245631923772
Energy: 1.5416807637459364
Energy: 1.9394245631931466
Energy: 1.323069060360459
Energy: 1.9394245631916074
Energy: 1.2851324194526896
Energy: 1.318109838158008
Energy: 1.438309889076759
Energy: 1.318109838158008
Energy: 1.2851324194534595
Energy: 1.318109838158008
Energy: 1.7049068015324538
Energy: 1.6139557889888245
Energy: 1.284058679389671
Energy: 1.6139557889880896
Energy: 1.704906801531684
Energy: 1.61395578898732
Energy: 1.391722272929881
Energy: 1.939751619817277
Energy: 1.3174958864784319
Energy: 1.939751619817277
Energy: 1.391722272929881
Energy: 1.9397516198165075
Energy: 1.3977652628144934
Energy: 1.7060724381496155
Energy: 1.2831238634325028
Energy: 1.7060724381480763
Energy: 1.3977652628144934
Energy: 1.7060724381480763
Energy: 1.2884322367879772
Energy: 1.6942391861450439
Energy: 1.436621956823857
Energy: 1.6942391861450439
Energy: 1.2884322367879772
Energy: 1.6942391861450439
Energy: 1.3392365918393336
Energy: 1.687914313009576
Energy: 1.2883549831729952
Energy: 1.687914313009576
Energy: 1.3392365918393336
Energy: 1.6879143130080367
Energy: 1.2947015518211837
Energy: 1.5619986949410314
Energy: 1.4120020760216543
Energy: 1.5619986949410314
Energy: 1.2947015518211837
Energy: 1.5619986949441103
Energy: 1.2831779615891974
Energy: 1.6751468227338442
Energy: 1.4142578572039508
Energy: 1.6751468227338442
Energy: 1.2831779615899672
Energy: 1.6751468227346138
Energy: 1.281878499088785
Energy: 1.4231179525139073
Energy: 1.3177839060567504
Energy: 1.4231179523300523
Energy: 1.281878499088785
Energy: 1.4231179526070068
Energy: 1.9761154606111777
Energy: 1.6244209332616069
Energy: 1.2844300453114519
Energy: 1.6244209332623767
Energy: 1.9761154606111777
Energy: 1.6244209332616069
Energy: 1.6640376497041334
Energy: 1.678888893067149
Energy: 1.3165760707406184
Energy: 1.6788888930686885
Energy: 1.6640376497025942
Energy: 1.6788888930686885
Energy: 1.2828054217042213
Energy: 1.4231705356626005
Energy: 1.3353251809249829
Energy: 1.4231705356456668
Energy: 1.2828054217042213
Energy: 1.423170535721063
Energy: 1.2819173659627419
Energy: 1.669478670310098
Energy: 1.4114344049518388
Energy: 1.669478670310098
Energy: 1.2819173659642815
Energy: 1.6694786703093278
Energy: 1.3294578932397072
Energy: 1.9365090018679811
Energy: 1.411864697749962
Energy: 1.9365090018679811
Energy: 1.3294578932404768
Energy: 1.936509001868751
Energy: 1.2939838590419765
Energy: 2.0139211911603194
Energy: 1.399003381589456
Energy: 2.0139211911595494
Energy: 1.2939838590412067
Energy: 2.0139211911603194
Energy: 1.3989403940489207
Energy: 1.918346907689628
Energy: 1.3988182550967525
Energy: 1.918346907689628
Energy: 1.3989403940481508
Energy: 1.9183469076888584
Energy: 1.3989599828029924
Energy: 2.0139114910004854
Energy: 1.3155264707275607
Energy: 2.013911491001255
Energy: 1.398959982801453
Energy: 2.013911491001255
Energy: 1.4121795889945457
Energy: 1.9365349480644052
Energy: 1.3294596302856858
Energy: 1.9365349480636358
Energy: 1.4121795889953155
Energy: 1.9365349480644052
Energy: 1.4119023282298875
Energy: 1.669442744153507
Energy: 1.2819391884524296
Energy: 1.6694427441550463
Energy: 1.4119023282298875
Energy: 1.669442744153507
Energy: 1.3355684969154775
Energy: 1.4233794549378
Energy: 1.2827980364164957
Energy: 1.4233794548523977
Energy: 1.335568496914708
Energy: 1.4233794550447194
Energy: 1.3168004779325377
Energy: 1.6796189811184215
Energy: 1.945245794617018
Energy: 1.6796189811176518
Energy: 1.3168004779333071
Energy: 1.6796189811184215
Energy: 1.2846052280811133
Energy: 1.6242865069538497
Energy: 1.976166534086636
Energy: 1.6242865069546193
Energy: 1.2846052280803435
Energy: 1.6242865069538497
Energy: 1.3178622541556488
Energy: 1.4230393204085792
Energy: 1.2818872923620155
Energy: 1.4230393204078093
Energy: 1.3178622541556488
Energy: 1.4230393204078093
Energy: 1.4644167225552729
Energy: 1.6749822133070547
Energy: 1.2831834576867396
Energy: 1.6749822133062853
Energy: 1.4644167225568123
Energy: 1.6749822133062853

minimum gb energy = 1.280700794726461 eV
minimum distance =  2.16043860553372 Angstroms
sigma value = 81


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

Energy: 1.3204210531814997
Energy: 1.3210314819696218
Energy: 2.4356428784236304
Energy: 1.321031481969879
Energy: 1.3204210531814997
Energy: 1.321031481969879
Energy: 1.6445118524982387
Energy: 1.3160908545489693
Energy: 1.3207249200137345
Energy: 1.3160908545495478
Energy: 1.644511852498528
Energy: 1.3160908545489693
Energy: 1.3211029725360057
Energy: 1.315864507116312
Energy: 1.6451770570040225
Energy: 1.3158645071174366
Energy: 1.3211029725354273
Energy: 1.3158645071168906
Energy: 2.435642878423341
Energy: 1.3210314819696218
Energy: 1.3204210531814997
Energy: 1.321031481969879
Energy: 2.435642878423887
Energy: 1.321031481969879
Energy: 1.3207249200137345
Energy: 1.3160908545484231
Energy: 1.6445118524974032
Energy: 1.3160908545484231
Energy: 1.3207249200137345
Energy: 1.31609085454868
Energy: 1.6451770570040225
Energy: 1.3158645071168906
Energy: 1.3211029725354273
Energy: 1.315864507116601
Energy: 1.645177057004601
Energy: 1.315864507116312
Energy: 1.3204210531814997
Energy: 1.321031481969879
Energy: 2.435642878423887
Energy: 1.3210314819696218
Energy: 1.3204210531814997
Energy: 1.3210314819690432
Energy: 1.6445118524982387
Energy: 1.3160908545489693
Energy: 1.3207249200137345
Energy: 1.316090854549805
Energy: 1.6445118524979498
Energy: 1.3160908545495478
Energy: 1.3211029725354273
Energy: 1.3158645071168906
Energy: 1.645177057003187
Energy: 1.315864507116312
Energy: 1.3211029725360057
Energy: 1.3158645071171797
Energy: 2.4356428784236304
Energy: 1.3210314819696218
Energy: 1.3204210531814997
Energy: 1.3210314819690432
Energy: 2.435642878423341
Energy: 1.3210314819693325

minimum gb energy = 1.315864507116312 eV
minimum distance =  2.25303167229833 Angstroms
sigma value = 3


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

Energy: 1.7760912408671419
Energy: 2.142723409853891
Energy: 2.147784783900137
Energy: 2.142723409854737
Energy: 1.7760912408671419
Energy: 2.142723409854737
Energy: 1.7038258811067053
Energy: 1.318505698985459
Energy: 1.2459599065885645
Energy: 1.3185056989863058
Energy: 1.7038258811075515
Energy: 1.3185056989863058
Energy: 1.2821725092992737
Energy: 1.2935141887785315
Energy: 1.5710531938764998
Energy: 1.293514188777685
Energy: 1.2821725092984273
Energy: 1.293514188777685
Energy: 2.0610711961446673
Energy: 1.6214841789536434
Energy: 1.3005558557029113
Energy: 1.6214841790111543
Energy: 2.0610711961446673
Energy: 1.6214841788927474
Energy: 1.2964175560113715
Energy: 1.2923823168471607
Energy: 1.963660594448179
Energy: 1.2923823168471607
Energy: 1.2964175560113715
Energy: 1.2923823168471607
Energy: 1.6661799170013651
Energy: 1.394937965901076
Energy: 1.2448974855496255
Energy: 1.39493796590023
Energy: 1.6661799170013651
Energy: 1.3949379658993837
Energy: 1.2965932299576362
Energy: 1.2862295429876924
Energy: 1.5884484649159727
Energy: 1.2862295429860382
Energy: 1.2965932299559433
Energy: 1.2862295429860382
Energy: 1.3029764337288403
Energy: 1.9746391806048686
Energy: 1.2997443041971943
Energy: 1.9746391806048686
Energy: 1.3029764337296867
Energy: 1.9746391806048686
Energy: 1.2793005628529426
Energy: 1.630739647246392
Energy: 1.8876503944279412
Energy: 1.6307396472472382
Energy: 1.2793005628520964
Energy: 1.6307396472472382
Energy: 1.2955731569407087
Energy: 1.3213873434184693
Energy: 1.2457287136781263
Energy: 1.321387343417623
Energy: 1.2955731569407087
Energy: 1.321387343417623
Energy: 1.7763632653994381
Energy: 1.715180660407667
Energy: 1.3356828222913515
Energy: 1.715180660407667
Energy: 1.7763632654002846
Energy: 1.7151806604068207
Energy: 1.720083248889434
Energy: 1.6247395307193768
Energy: 1.2417275504615228
Energy: 1.6247395307193768
Energy: 1.7200832488877413
Energy: 1.6247395307202233
Energy: 1.289716063340558
Energy: 1.380944210173542
Energy: 1.2401604648820073
Energy: 1.3809442101769271
Energy: 1.2897160633414044
Energy: 1.3809442101769271
Energy: 1.2822927961018757
Energy: 1.6291430428829834
Energy: 1.333302258017882
Energy: 1.6291430428838298
Energy: 1.282292796102722
Energy: 1.6291430428821372
Energy: 1.2915576408302496
Energy: 1.6318910001374347
Energy: 1.294370039159257
Energy: 1.6318910001374347
Energy: 1.291557640831096
Energy: 1.6318910001374347
Energy: 1.2916682932292245
Energy: 1.742946315611696
Energy: 1.2436248735838595
Energy: 1.7429463156108496
Energy: 1.291668293230071
Energy: 1.7429463156108496
Energy: 1.291330026056336
Energy: 1.7432649324729779
Energy: 1.2436552099861042
Energy: 1.7432649324729779
Energy: 1.291330026056336
Energy: 1.7432649324729779
Energy: 1.291776021164139
Energy: 1.405858684496522
Energy: 1.2944825723758964
Energy: 1.4058586844948295
Energy: 1.2917760211649851
Energy: 1.4058586844973684
Energy: 1.2776356895944967
Energy: 1.632709592478131
Energy: 1.2944978578017299
Energy: 1.6327095924789772
Energy: 1.2776356895944967
Energy: 1.632709592473053
Energy: 1.2896017160861337
Energy: 1.6132288467586027
Energy: 1.2401829642061393
Energy: 1.6132288467569098
Energy: 1.2896017160861337
Energy: 1.6132288467569098
Energy: 1.7276111192043608
Energy: 1.643753766097244
Energy: 1.2393225668056305
Energy: 1.6437537660980903
Energy: 1.7276111192035146
Energy: 1.643753766097244
Energy: 1.7767539278299682
Energy: 1.7148514491111888
Energy: 1.3252131756329295
Energy: 1.7148514491111888
Energy: 1.7767539278299682
Energy: 1.7148514491111888
Energy: 1.2952558725655832
Energy: 1.3304090684570404
Energy: 1.241760089085497
Energy: 1.3304090684553478
Energy: 1.2952558725655832
Energy: 1.3304090684553478
Energy: 1.2771882872324376
Energy: 1.6441677740415102
Energy: 1.728603692355511
Energy: 1.6441677740398177
Energy: 1.2771882872324376
Energy: 1.6441677740423566
Energy: 1.2971638241983183
Energy: 1.4010202156099243
Energy: 1.3695914855109355
Energy: 1.4010202156099243
Energy: 1.2971638241983183
Energy: 1.4010202156099243
Energy: 1.2970030796141652
Energy: 1.73397446810288
Energy: 1.3843910868677487
Energy: 1.73397446810288
Energy: 1.2970030796141652
Energy: 1.73397446810288
Energy: 1.2791173733655394
Energy: 1.7909288150975105
Energy: 1.243936157231819
Energy: 1.7909288150992029
Energy: 1.2791173733655394
Energy: 1.7909288150992029
Energy: 1.2923158782581736
Energy: 1.7257387994255626
Energy: 1.9583067089372495
Energy: 1.7257387994247164
Energy: 1.2923158782581736
Energy: 1.7257387994247164
Energy: 1.412391659218838
Energy: 1.6276056259873213
Energy: 1.299762587331635
Energy: 1.6276056259915528
Energy: 1.4123916592179917
Energy: 1.6276056260000158
Energy: 1.2780874020764206
Energy: 1.2914899064449112
Energy: 1.5708360867447475
Energy: 1.2914899064457577
Energy: 1.2780874020755744
Energy: 1.2914899064457577
Energy: 1.7040846046130758
Energy: 1.3181673577939956
Energy: 1.2457609153827185
Energy: 1.318167357793149
Energy: 1.7040846046130758
Energy: 1.318167357793149
Energy: 1.7760991676542572
Energy: 1.6444548427617594
Energy: 1.3363104562260137
Energy: 1.6444548428539687
Energy: 1.7760991676542572
Energy: 1.64445484234472
Energy: 1.7042347019925745
Energy: 1.3234442207450015
Energy: 1.2455736569719773
Energy: 1.3234442207433086
Energy: 1.7042347019925745
Energy: 1.3234442207441548

minimum gb energy = 1.2393225668056305 eV
minimum distance =  2.24788817391429 Angstroms
sigma value = 67


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

Energy: 1.2620282917377934
Energy: 2.137256498038176
Energy: 2.174577869693066
Energy: 2.1372564980369697
Energy: 1.2620282917377934
Energy: 2.1372564980369697
Energy: 1.9644519897472514
Energy: 1.2427573691348885
Energy: 1.2348130664089771
Energy: 1.2427573691348885
Energy: 1.9644519897472514
Energy: 1.2427573691360942
Energy: 1.2466949402761505
Energy: 1.3395923669600116
Energy: 1.6037664373900513
Energy: 1.3395923669588057
Energy: 1.2466949402761505
Energy: 1.3395923669612175
Energy: 2.0134896975724264
Energy: 1.628158360298224
Energy: 1.2190691343874966
Energy: 1.628158360298224
Energy: 2.0134896975724264
Energy: 1.628158360297018
Energy: 1.2204170458573127
Energy: 1.9243936879575578
Energy: 1.983775992468627
Energy: 1.9243936879587638
Energy: 1.2204170458561066
Energy: 1.9243936879587638
Energy: 1.21823371451638
Energy: 1.7306369521622784
Energy: 1.2185103854026789
Energy: 1.7306369521622784
Energy: 1.2182337145151743
Energy: 1.7306369521634846
Energy: 1.2387037425606022
Energy: 1.2439543297450113
Energy: 1.2573386730599032
Energy: 1.2439543297438054
Energy: 1.2387037425606022
Energy: 1.2439543297438054
Energy: 1.2436378648830764
Energy: 1.6262752299528747
Energy: 1.867786736611467
Energy: 1.6262752299540808
Energy: 1.2436378648854882
Energy: 1.6262752299552865
Energy: 1.2355067892029843
Energy: 1.5610672064451565
Energy: 1.8512085380972088
Energy: 1.5610672064451565
Energy: 1.2355067892018334
Energy: 1.5610672064427449
Energy: 1.2355565426027806
Energy: 1.5391827435929204
Energy: 1.2406966699693995
Energy: 1.5391827435917143
Energy: 1.2355565426039865
Energy: 1.5391827435917143
Energy: 1.2181989311957429
Energy: 1.6079081822898946
Energy: 1.2341560341609334
Energy: 1.6079081822911008
Energy: 1.2181989311957429
Energy: 1.6079081822911008
Energy: 1.2372441173748452
Energy: 1.2847062753353948
Energy: 1.2228506354819901
Energy: 1.284706275336601
Energy: 1.2372441173712272
Energy: 1.284706275336601
Energy: 1.2341967968278706
Energy: 1.6067129149836807
Energy: 1.2182531439739537
Energy: 1.6067129149872983
Energy: 1.2341967968290766
Energy: 1.6067129149872983
Energy: 1.2344988162667458
Energy: 1.539683735371215
Energy: 1.235466269818135
Energy: 1.539683735371215
Energy: 1.2344988162679518
Energy: 1.5396837353700086
Energy: 1.8511414349903874
Energy: 1.5606643048126678
Energy: 1.2355421762262073
Energy: 1.560664304810256
Energy: 1.8511414349891815
Energy: 1.5606643048114621
Energy: 1.867973939980116
Energy: 1.6154720012656618
Energy: 1.2436010292616504
Energy: 1.615472001264456
Energy: 1.867973939980116
Energy: 1.6154720012656618
Energy: 1.2574072770210625
Energy: 1.243698939699848
Energy: 1.2386557044830526
Energy: 1.2436989396986422
Energy: 1.2574072770210625
Energy: 1.2436989396986422
Energy: 1.2184781735291235
Energy: 1.73057836359147
Energy: 1.2203325441876363
Energy: 1.7305783635902643
Energy: 1.2184781735291235
Energy: 1.73057836359147
Energy: 1.9838893027714106
Energy: 1.9243632322270114
Energy: 1.220558573146754
Energy: 1.9243632322282174
Energy: 1.9838893027726163
Energy: 1.9243632322258057
Energy: 1.2191435684685707
Energy: 1.6942407609991743
Energy: 2.0098577819456565
Energy: 1.6942407609991743
Energy: 1.2191435684697767
Energy: 1.6942407609991743
Energy: 1.603948326558368
Energy: 1.3395923669624235
Energy: 1.246707032139636
Energy: 1.3395923669624235
Energy: 1.603948326558368
Energy: 1.3395923669600116
Energy: 1.2349141312802174
Energy: 1.2426479160099355
Energy: 1.965034023867939
Energy: 1.2426479160099355
Energy: 1.2349141312802174
Energy: 1.2426479160099355
Energy: 1.72910037749272
Energy: 2.137256498038176
Energy: 1.2620282917377934
Energy: 2.137256498038176
Energy: 1.72910037749272
Energy: 2.137256498038176

minimum gb energy = 1.2181989311957429 eV
minimum distance =  2.24590978150865 Angstroms
sigma value = 33


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

Energy: 1.6045775070803419
Energy: 1.3375147486425305
Energy: 2.031975994658677
Energy: 1.3375147486425305
Energy: 1.6045775070803419
Energy: 1.3375147486432957
Energy: 1.976554998572853
Energy: 1.5690589879081567
Energy: 1.1633309926990194
Energy: 1.569058987907392
Energy: 1.976554998573618
Energy: 1.569058987907392
Energy: 1.1901903411501222
Energy: 1.2363063985409213
Energy: 1.8711552116046168
Energy: 1.2363063985409213
Energy: 1.1901903411508874
Energy: 1.2363063985416862
Energy: 1.246345601179482
Energy: 1.5636505626519304
Energy: 1.2135412329474846
Energy: 1.563650562559435
Energy: 1.246345601179482
Energy: 1.5636505627337505
Energy: 1.5325978781123792
Energy: 2.061166761157431
Energy: 1.5706533590738518
Energy: 2.061166761157431
Energy: 1.5325978781108491
Energy: 2.061166761157431
Energy: 1.5315129117498616
Energy: 1.5613975199309462
Energy: 1.1592406250991862
Energy: 1.5613975199286514
Energy: 1.5315129117498616
Energy: 1.5613975199301815
Energy: 1.1673731287732387
Energy: 1.1986577350695706
Energy: 1.1981416241342866
Energy: 1.1986577350688057
Energy: 1.167373128772474
Energy: 1.1986577350695706
Energy: 1.1863600081950059
Energy: 1.6936259793312072
Energy: 1.5295154486846845
Energy: 1.6936259793312072
Energy: 1.1863600081942407
Energy: 1.6936259793312072
Energy: 1.5222994987590472
Energy: 1.4229163213650113
Energy: 1.5082397388283424
Energy: 1.4229163213650113
Energy: 1.5222994987582823
Energy: 1.4229163213665414
Energy: 1.2060321390394038
Energy: 1.4922491254718095
Energy: 1.1989442581144991
Energy: 1.4922491254710444
Energy: 1.2060321390394038
Energy: 1.4922491254710444
Energy: 1.168694626082801
Energy: 1.7295289973413428
Energy: 1.181656966834337
Energy: 1.7295289973413428
Energy: 1.1686946260812712
Energy: 1.7295289973405779
Energy: 1.1574645207913072
Energy: 1.2508224687901108
Energy: 1.9285433928238613
Energy: 1.2508224687893459
Energy: 1.1574645207920722
Energy: 1.2508224687901108
Energy: 1.599371509138153
Energy: 1.666261729697027
Energy: 1.5731945189387413
Energy: 1.666261729697027
Energy: 1.5993715091373881
Energy: 1.666261729697027
Energy: 1.1631671785333444
Energy: 1.6962208702717891
Energy: 1.1638315815655205
Energy: 1.6962208702717891
Energy: 1.1631671785333444
Energy: 1.6962208702725543
Energy: 1.6274549447323314
Energy: 1.2623518416152613
Energy: 1.1987062194566411
Energy: 1.2623518416160262
Energy: 1.6274549447300366
Energy: 1.2623518416152613
Energy: 1.2133379489768423
Energy: 1.5421833446787874
Energy: 1.9584572642067715
Energy: 1.5421833446787874
Energy: 1.2133379489776073
Energy: 1.5421833446787874
Energy: 1.9788415704743765
Energy: 1.7364289535271005
Energy: 1.5024119064309944
Energy: 1.7364289533795254
Energy: 1.9788415704743765
Energy: 1.7364289533948254
Energy: 1.1692310497399532
Energy: 1.1934289755692098
Energy: 1.797732893920595
Energy: 1.193428975566915
Energy: 1.1692310497399532
Energy: 1.19342897556768
Energy: 1.3477447432133098
Energy: 1.1966848862963766
Energy: 1.1747629587191932
Energy: 1.1966848862963766
Energy: 1.3477447432148397
Energy: 1.1966848862963766
Energy: 1.5439490679861296
Energy: 1.6614266101037969
Energy: 1.187330429183149
Energy: 1.6614266101015018
Energy: 1.5439490679853645
Energy: 1.661426610105327
Energy: 1.9555595919890099
Energy: 1.8386122790381667
Energy: 1.2075722128773796
Energy: 1.8386122790381667
Energy: 1.9555595919890099
Energy: 1.8386122790381667
Energy: 1.1973265066549155
Energy: 1.510424743801927
Energy: 1.5075554321668945
Energy: 1.510424743802692
Energy: 1.1973265066541505
Energy: 1.510424743804222
Energy: 1.176343678846952
Energy: 1.6967288562335214
Energy: 1.191148275545069
Energy: 1.6967288562335214
Energy: 1.1763436788461865
Energy: 1.6967288562327563
Energy: 1.5730418651809301
Energy: 1.7000231092710583
Energy: 1.1965256566011728
Energy: 1.7000231092710583
Energy: 1.5730418651809301
Energy: 1.7000231092718232
Energy: 1.9034260288028786
Energy: 1.6791266509959633
Energy: 1.1981424102545832
Energy: 1.6791266509951985
Energy: 1.9034260288028786
Energy: 1.6791266509951985
Energy: 1.1818464058358868
Energy: 1.6876652767918372
Energy: 1.1693261338275995
Energy: 1.6876652767918372
Energy: 1.1818464058358868
Energy: 1.6876652767918372
Energy: 1.2012184605328944
Energy: 1.5113600064048225
Energy: 1.5208322159989967
Energy: 1.5113600064032926
Energy: 1.2012184605328944
Energy: 1.5113600064040575
Energy: 1.5301717311936203
Energy: 1.410456281518281
Energy: 1.206059202336234
Energy: 1.4104562815198112
Energy: 1.5301717311936203
Energy: 1.4104562815190458
Energy: 1.5328035578989547
Energy: 1.692988049277351
Energy: 1.2380704094213395
Energy: 1.692988049277351
Energy: 1.5328035578997194
Energy: 1.692988049277351
Energy: 1.1986142036988512
Energy: 1.1891516743785133
Energy: 1.1731547541438874
Energy: 1.189151674377748
Energy: 1.1986142036980865
Energy: 1.189151674379278
Energy: 1.1694191754422296
Energy: 1.4274844874947838
Energy: 1.936977558957601
Energy: 1.4274844874963137
Energy: 1.169419175441465
Energy: 1.427484487494019
Energy: 1.5501204687370855
Energy: 2.015300375074289
Energy: 1.5244381356574899
Energy: 2.0153003750849994
Energy: 1.5501204687370855
Energy: 2.015300375081174
Energy: 1.2264531566824517
Energy: 1.5621686009739233
Energy: 1.8204928665279512
Energy: 1.5621686009739233
Energy: 1.2264531566824517
Energy: 1.5621686009731586
Energy: 1.890125961994174
Energy: 1.2552355208302681
Energy: 1.1993093630119143
Energy: 1.255235520831798
Energy: 1.8901259619949393
Energy: 1.255235520831798
Energy: 1.176841238848465
Energy: 1.5687797202526328
Energy: 1.758145825022893
Energy: 1.5687797202526328
Energy: 1.176841238848465
Energy: 1.5687797202549278
Energy: 1.5925478418939611
Energy: 1.6654214220659902
Energy: 1.573428580556273
Energy: 1.6654214226127209
Energy: 1.5925478418962562
Energy: 1.6654214228918414
Energy: 1.168679211031177
Energy: 1.7767028890566952
Energy: 2.0131116296695377
Energy: 1.7767028890566952
Energy: 1.168679211033472
Energy: 1.7767028890566952

minimum gb energy = 1.1574645207913072 eV
minimum distance =  2.18750624909303 Angstroms
sigma value = 41


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

Energy: 1.012823579632265
Energy: 0.9703330160278776
Energy: 1.9639231375223778
Energy: 0.9703330160278776
Energy: 1.012823579632265
Energy: 0.9703330160278776
Energy: 1.8843801244708294
Energy: 0.9492581620826533
Energy: 0.9524883674075615
Energy: 0.9492581620826533
Energy: 1.8843801250804857
Energy: 0.9492581620826533
Energy: 1.0307888564898207
Energy: 1.1576529148634753
Energy: 0.9512272061788797
Energy: 1.1576529148634753
Energy: 1.030788856487732
Energy: 1.1576529148634753
Energy: 1.8292269668477994
Energy: 0.947949879372241
Energy: 0.9525328523529557
Energy: 0.947949879372241
Energy: 1.8292269668477994
Energy: 0.947949879372241
Energy: 1.013536114168116
Energy: 1.5439759956426016
Energy: 0.9510195764067447
Energy: 1.5439759956426016
Energy: 1.013536114168116
Energy: 1.5439759956446901
Energy: 1.0028434584559958
Energy: 1.0312724739526085
Energy: 0.9509782530000416
Energy: 1.0312724739526085
Energy: 1.0028434584559958
Energy: 1.0312724739526085
Energy: 1.7988595104773533
Energy: 0.9724082505682375
Energy: 0.9509173777264792
Energy: 0.9724082505682375
Energy: 1.7988595104773533
Energy: 0.9724082505682375
Energy: 1.0118395239781661
Energy: 0.9726348520150846
Energy: 0.9506497725450804
Energy: 0.9726348520150846
Energy: 1.0118395239781661
Energy: 0.9726348520129959
Energy: 1.7822737028227336
Energy: 1.031811816298941
Energy: 0.9509831151240233
Energy: 1.031811816298941
Energy: 1.7822737028227336
Energy: 1.031811816298941
Energy: 1.0133032468461676
Energy: 1.5482165301924824
Energy: 0.9507374378884375
Energy: 1.5482165301924824
Energy: 1.0133032468461676
Energy: 1.5482165301945712
Energy: 1.8045593931753234
Energy: 0.9728396017857946
Energy: 0.9525695476620792
Energy: 0.9728396017878833
Energy: 1.8045593931732349
Energy: 0.9728396017878833
Energy: 1.0280254519602305
Energy: 1.1562301024556187
Energy: 1.8149413203811497
Energy: 1.1562301024556187
Energy: 1.028025451962319
Energy: 1.1562301024556187
Energy: 1.8043935357806797
Energy: 0.9729301330006727
Energy: 0.9525737362715622
Energy: 0.9729301330006727
Energy: 1.8043935357806797
Energy: 0.9729301330006727
Energy: 1.0154162868297327
Energy: 1.5482574573358443
Energy: 0.951526634783036
Energy: 1.5482574573358443
Energy: 1.0154162868297327
Energy: 1.5482574573358443

minimum gb energy = 0.947949879372241 eV
minimum distance =  2.24513917867302 Angstroms
sigma value = 11


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

Energy: 1.7234852516789625
Energy: 1.3438330586573901
Energy: 1.9939776501787063
Energy: 1.3438330586592253
Energy: 1.72348525167988
Energy: 1.3438330586583078
Energy: 1.7514250214417568
Energy: 1.7985025337024938
Energy: 1.277820900465149
Energy: 1.7985025337024938
Energy: 1.7514250214417568
Energy: 1.7985025337024938
Energy: 1.2803080463625216
Energy: 1.591927126226902
Energy: 1.3347457405153316
Energy: 1.591927126226902
Energy: 1.2803080463625216
Energy: 1.591927126226902
Energy: 1.300176586940133
Energy: 1.5375418972462844
Energy: 1.2803687033398354
Energy: 1.5375418972462844
Energy: 1.300176586940133
Energy: 1.5375418972462844
Energy: 1.5855737313997842
Energy: 1.5752868058372052
Energy: 1.2504024943972283
Energy: 1.5752868058372052
Energy: 1.5855737314007017
Energy: 1.5752868058372052
Energy: 1.3095637584953974
Energy: 1.5934774463385837
Energy: 1.5245860716178186
Energy: 1.5934774463395014
Energy: 1.3095637584953974
Energy: 1.5934774463385837
Energy: 1.3588845683036075
Energy: 1.768522168929907
Energy: 1.3098369414227689
Energy: 1.7685221689207524
Energy: 1.3588845683036075
Energy: 1.768522168931742
Energy: 1.2964637023485843
Energy: 1.379064445000497
Energy: 1.4111606165060333
Energy: 1.3790644449995795
Energy: 1.2964637023485843
Energy: 1.3790644449995795
Energy: 1.68525378453186
Energy: 1.4712876240647437
Energy: 1.2916385224059905
Energy: 1.4712876240647437
Energy: 1.6852537845327775
Energy: 1.4712876240647437
Energy: 1.286719900388634
Energy: 1.7814256914546713
Energy: 1.4758902696920388
Energy: 1.7814256914546713
Energy: 1.286719900388634
Energy: 1.7814256914546713
Energy: 1.5276804144540317
Energy: 1.8046306079414707
Energy: 1.7148068429438896
Energy: 1.8046306079423882
Energy: 1.5276804144540317
Energy: 1.8046306079414707
Energy: 1.2672293440029032
Energy: 1.5867226796006935
Energy: 1.7793930062734125
Energy: 1.5867226796006935
Energy: 1.267229344001068
Energy: 1.586722679601611
Energy: 1.2768166253070756
Energy: 1.8055618987154325
Energy: 1.5744069411937742
Energy: 1.80556189871635
Energy: 1.2768166253070756
Energy: 1.8055618987154325
Energy: 1.2682192463628512
Energy: 1.470761225547972
Energy: 1.2431291893515766
Energy: 1.4707612255488896
Energy: 1.268219246363769
Energy: 1.470761225547972
Energy: 1.301251927350585
Energy: 1.6378754810554377
Energy: 1.565896498389404
Energy: 1.6378754810554377
Energy: 1.3012519273496674
Energy: 1.6378754810554377
Energy: 1.8542488270881055
Energy: 1.8255277186621721
Energy: 1.314804451585258
Energy: 1.8255277186621721
Energy: 1.8542488270881055
Energy: 1.8255277186621721
Energy: 1.3226265492125004
Energy: 1.7713256476562556
Energy: 1.5244871068421124
Energy: 1.7713256476562556
Energy: 1.3226265492125004
Energy: 1.7713256476571728
Energy: 1.525143440366698
Energy: 1.639176149395879
Energy: 1.2871959301186597
Energy: 1.6391761493967962
Energy: 1.525143440366698
Energy: 1.639176149395879
Energy: 1.273446137464852
Energy: 1.669979515576273
Energy: 1.2678914961622467
Energy: 1.6699795155771908
Energy: 1.273446137464852
Energy: 1.669979515576273
Energy: 1.3211714599831132
Energy: 1.771549234282237
Energy: 1.2676297006279575
Energy: 1.771549234282237
Energy: 1.3211714599831132
Energy: 1.771549234282237
Energy: 1.7982135733880353
Energy: 1.5844007228901178
Energy: 1.2673935358049055
Energy: 1.5844007228901178
Energy: 1.7982135733880353
Energy: 1.5844007228901178
Energy: 1.752448235759091
Energy: 1.3561336867944365
Energy: 1.5356769974033577
Energy: 1.3561336867935188
Energy: 1.752448235759091
Energy: 1.3561336867935188
Energy: 1.4759258439330967
Energy: 1.779592458511826
Energy: 1.2857123418161185
Energy: 1.779592458511826
Energy: 1.475925843930344
Energy: 1.779592458511826
Energy: 1.2905671092845374
Energy: 1.4619152024923108
Energy: 1.7855251980634557
Energy: 1.4619152024923108
Energy: 1.2905671092845374
Energy: 1.4619152024923108
Energy: 1.4010263610028557
Energy: 1.3795003218560198
Energy: 1.2748843528174205
Energy: 1.379500321855102
Energy: 1.4010263610028557
Energy: 1.379500321855102
Energy: 1.3096313983822574
Energy: 1.808373495403172
Energy: 1.300450918015141
Energy: 1.808373495403172
Energy: 1.3096313983822574
Energy: 1.808373495403172
Energy: 1.569273147748856
Energy: 1.5847745798356898
Energy: 1.5854897607301721
Energy: 1.5847745798356898
Energy: 1.569273147748856
Energy: 1.5847745798366075
Energy: 1.2998554839487566
Energy: 1.7885739215268834
Energy: 1.3093034320741284
Energy: 1.7885739215268834
Energy: 1.2998554839487566
Energy: 1.7885739215268834
Energy: 1.280245115980022
Energy: 1.3782612809283108
Energy: 1.3009635888428055
Energy: 1.3782612809283108
Energy: 1.2802451159791044
Energy: 1.378261280930146
Energy: 1.3295346848485248
Energy: 1.5885812798335972
Energy: 1.2933942263280953
Energy: 1.5885812798335972
Energy: 1.3295346848485248
Energy: 1.5885812798335972
Energy: 1.2766269160316484
Energy: 1.7992717716998403
Energy: 1.7509653036930453
Energy: 1.7992717716998403
Energy: 1.2766269160307306
Energy: 1.7992717716998403

minimum gb energy = 1.2431291893515766 eV
minimum distance =  2.19233785216964 Angstroms
sigma value = 57


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

Energy: 1.444515224215246
Energy: 1.8621752296754408
Energy: 1.7969415114251934
Energy: 1.8621752296754408
Energy: 1.444515224215246
Energy: 1.8621752296754408
Energy: 1.4109468989850238
Energy: 1.6583053057236157
Energy: 1.3444709735219693
Energy: 1.6583053057252486
Energy: 1.4109468989850238
Energy: 1.6583053057236157
Energy: 1.4323991264442493
Energy: 1.6017157301681346
Energy: 1.3447205978695498
Energy: 1.6017157301697673
Energy: 1.4323991264458822
Energy: 1.6017157301681346
Energy: 1.3731953301155722
Energy: 1.7604785809095689
Energy: 1.373210416423777
Energy: 1.8144203514888637
Energy: 1.3731953301155722
Energy: 1.7604785809095689
Energy: 1.344699539357342
Energy: 1.6018109056399863
Energy: 1.4323740098745557
Energy: 1.6018109056399863
Energy: 1.344699539357342
Energy: 1.6018109056399863
Energy: 1.3948747770102288
Energy: 1.6571782904444965
Energy: 1.4108074933830888
Energy: 1.6571782904444965
Energy: 1.3948747770102288
Energy: 1.6571782904444965
Energy: 1.7969415114268261
Energy: 1.8621752296754408
Energy: 1.444515224215246
Energy: 1.8621752296754408
Energy: 1.7969415114251934
Energy: 1.8621752296754408
Energy: 1.3444709735203364
Energy: 1.7884514079345588
Energy: 1.4109468989850238
Energy: 1.788451407932926
Energy: 1.3444709735219693
Energy: 1.7884514079345588
Energy: 1.3447205978695498
Energy: 1.6017157301681346
Energy: 1.4323991264458822
Energy: 1.6017157301681346
Energy: 1.344720597867917
Energy: 1.6017157301697673
Energy: 1.373210416423777
Energy: 1.7604785809095689
Energy: 1.3731953301155722
Energy: 1.6203897669521141
Energy: 1.3732104164254098
Energy: 1.8144203514888637
Energy: 1.4323740098745557
Energy: 1.6018109056399863
Energy: 1.344699539357342
Energy: 1.6018109056383536
Energy: 1.4323740098745557
Energy: 1.6018109056399863
Energy: 1.410807493381456
Energy: 1.6571782904444965
Energy: 1.3948747770102288
Energy: 1.6571782904444965
Energy: 1.4108074933830888
Energy: 1.6571782904444965
Energy: 1.444515224215246
Energy: 1.8621752296754408
Energy: 1.7654510746012815
Energy: 1.8621752296754408
Energy: 1.444515224215246
Energy: 1.8621752296754408
Energy: 1.4109468989866567
Energy: 1.6205861323136046
Energy: 1.3444709735203364
Energy: 1.620586132311972
Energy: 1.4109468989850238
Energy: 1.6205861323136046
Energy: 1.4323991264458822
Energy: 1.6017157301697673
Energy: 1.3447205978695498
Energy: 1.6017157301681346
Energy: 1.4323991264442493
Energy: 1.6017157301697673
Energy: 1.3731953301155722
Energy: 1.6203897669521141
Energy: 1.373210416423777
Energy: 1.6203897669521141
Energy: 1.373195330117205
Energy: 1.6203897669504814
Energy: 1.344699539357342
Energy: 1.6018109056399863
Energy: 1.4323740098745557
Energy: 1.6018109056383536
Energy: 1.344699539357342
Energy: 1.6018109056383536

minimum gb energy = 1.3444709735203364 eV
minimum distance =  2.24796694424507 Angstroms
sigma value = 9


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

Energy: 1.6882667711673878
Energy: 1.7114342935383298
Energy: 1.8301428928270087
Energy: 1.7114342935383298
Energy: 1.6882667711673878
Energy: 1.7114342935383298
Energy: 1.7777307992593343
Energy: 1.6582669806074026
Energy: 1.4731045078846021
Energy: 1.6582669806167345
Energy: 1.7777307992593343
Energy: 1.658266980651397
Energy: 1.5960013069741386
Energy: 1.7255586189815642
Energy: 1.5604382370797536
Energy: 1.7255586189815642
Energy: 1.5960013069741386
Energy: 1.7255586189815642
Energy: 1.47671549789253
Energy: 1.5984037092319725
Energy: 1.5016509591032394
Energy: 1.5984037092319725
Energy: 1.47671549789253
Energy: 1.5984037092319725
Energy: 1.538242440033994
Energy: 1.7661369380151881
Energy: 1.5959749363593867
Energy: 1.7661369380151881
Energy: 1.538242440033994
Energy: 1.766136938013855
Energy: 1.4768931817417206
Energy: 1.647648107777867
Energy: 1.6051157367060418
Energy: 1.647648107777867
Energy: 1.4768931817417206
Energy: 1.647648107777867
Energy: 1.5693025282307327
Energy: 1.6510433532553763
Energy: 1.473667925208712
Energy: 1.6510433532540736
Energy: 1.5693025282307327
Energy: 1.6510433532540736
Energy: 1.562857791540585
Energy: 1.6661297462981295
Energy: 1.5618749279007222
Energy: 1.6661297462981295
Energy: 1.562857791540585
Energy: 1.6661297462981295
Energy: 1.5489407435345446
Energy: 1.6485069110726296
Energy: 1.4836914834174801
Energy: 1.6485069110726296
Energy: 1.5489407435358777
Energy: 1.6485069110712964
Energy: 1.748551713876259
Energy: 1.702152337113884
Energy: 1.4760236908402544
Energy: 1.702152337113884
Energy: 1.7485517138789253
Energy: 1.702152337113884
Energy: 1.5258673728335144
Energy: 1.6299611794033402
Energy: 1.4816376589116769
Energy: 1.6299611794033402
Energy: 1.5258673728335144
Energy: 1.6299611794006739
Energy: 1.405762995898512
Energy: 1.6265582632057725
Energy: 1.501775465426801
Energy: 1.6265582632044393
Energy: 1.405762995898512
Energy: 1.6265582632044393
Energy: 1.5264921776273905
Energy: 1.6153063102207637
Energy: 1.49617000502542
Energy: 1.6153063102207637
Energy: 1.5264921776273905
Energy: 1.6153063102194305
Energy: 1.412799942711751
Energy: 1.6157575216009998
Energy: 1.4382773094270662
Energy: 1.6157575216009998
Energy: 1.412799942711751
Energy: 1.6157575216009998
Energy: 1.7504919741402831
Energy: 1.6651827903047702
Energy: 1.4745653533480483
Energy: 1.6651827903047702
Energy: 1.7504919741389502
Energy: 1.6651827903047702
Energy: 1.5531110384623124
Energy: 1.6842748883419971
Energy: 1.4799937722271286
Energy: 1.6842748883419971
Energy: 1.5531110384623124
Energy: 1.6842748883419971
Energy: 1.5494073500669048
Energy: 1.684092685238554
Energy: 1.574614910131838
Energy: 1.684092685238554
Energy: 1.549407350068238
Energy: 1.684092685238554
Energy: 1.5777654785148416
Energy: 1.6503328789440705
Energy: 1.4745384728416464
Energy: 1.6503328789440705
Energy: 1.5777654785135085
Energy: 1.6503328789440705
Energy: 1.4027223774999455
Energy: 1.6562203119714602
Energy: 1.6418927704347908
Energy: 1.6562203119714602
Energy: 1.4027223774999455
Energy: 1.6562203119714602
Energy: 1.5233656875644594
Energy: 1.7643416850890483
Energy: 1.58939838915145
Energy: 1.764341685087715
Energy: 1.5233656875631263
Energy: 1.7643416850890483
Energy: 1.4043037349223124
Energy: 1.6263939831756882
Energy: 1.5050868669230224
Energy: 1.6263939831756882
Energy: 1.4043037349223124
Energy: 1.626393983174355

minimum gb energy = 1.4027223774999455 eV
minimum distance =  2.23002687574508 Angstroms
sigma value = 27


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

Energy: 1.7213917491011836
Energy: 1.8152307228656765
Energy: 1.9167993453047294
Energy: 1.8152307228656765
Energy: 1.7213917491011836
Energy: 1.8152307228656765
Energy: 1.6683339704564621
Energy: 1.6439972052390581
Energy: 1.6618329222951975
Energy: 1.643997205240182
Energy: 1.6683339704587092
Energy: 1.6439972052390581
Energy: 1.5498553904299943
Energy: 1.7227516547140012
Energy: 1.6792458855676138
Energy: 1.722751654715125
Energy: 1.5498553904299943
Energy: 1.722751654715125
Energy: 1.5377968722242223
Energy: 1.6392355426805998
Energy: 1.633747139728974
Energy: 1.6392355426794758
Energy: 1.5377968722242223
Energy: 1.6392355426794758
Energy: 1.5880117313776465
Energy: 1.7660543289005244
Energy: 1.5674157964770743
Energy: 1.7660543289005244
Energy: 1.5880117313776465
Energy: 1.7660543289005244
Energy: 1.5132543004820371
Energy: 1.6735180315976648
Energy: 1.5715974646102933
Energy: 1.6735180315976648
Energy: 1.513254300483161
Energy: 1.6735180315976648
Energy: 1.6098203166147895
Energy: 1.6040325835375342
Energy: 1.5973556469014805
Energy: 1.6040325835375342
Energy: 1.609820316615913
Energy: 1.6040325835375342
Energy: 1.708041052975421
Energy: 1.6042619799166604
Energy: 1.5270051757100842
Energy: 1.6042619799166604
Energy: 1.708041052975421
Energy: 1.6042619799177844
Energy: 1.6804232984987755
Energy: 1.6642753635837846
Energy: 1.7803930044240852
Energy: 1.6642753635837846
Energy: 1.6804232984998992
Energy: 1.6642753635837846
Energy: 1.711314041044993
Energy: 1.7551231481008325
Energy: 1.6352095274979963
Energy: 1.7551231481008325
Energy: 1.711314041044993
Energy: 1.7551231481019565
Energy: 1.6695028658622142
Energy: 1.6896847385862714
Energy: 1.6349543738418932
Energy: 1.6896847385862714
Energy: 1.6695028658611162
Energy: 1.6896847385862714
Energy: 1.6804573929516846
Energy: 1.690632590245033
Energy: 1.6593341781483393
Energy: 1.690632590245033
Energy: 1.6804573929516846
Energy: 1.6906325902439092
Energy: 1.6346770045589794
Energy: 1.7622578766661625
Energy: 1.5710878170739442
Energy: 1.7622578766661625
Energy: 1.6346770045589794
Energy: 1.7622578766661625
Energy: 1.556264937314219
Energy: 1.615256128633555
Energy: 1.5268655518190095
Energy: 1.615256128633555
Energy: 1.5562649373130955
Energy: 1.6152561286324312
Energy: 1.4816987564895523
Energy: 1.6864523409890555
Energy: 1.555604802329941
Energy: 1.6864523409890555
Energy: 1.4816987564895523
Energy: 1.6864523409890555
Energy: 1.5929623969704874
Energy: 1.7660543289005244
Energy: 1.6609213559928655
Energy: 1.7660543288994004
Energy: 1.5929623969704874
Energy: 1.7660543288994004
Energy: 1.5185404700839065
Energy: 1.5889438526940634
Energy: 1.4907174127115905
Energy: 1.5889438526940634
Energy: 1.5185404700839065
Energy: 1.5889438526940634
Energy: 1.6240087984720373
Energy: 1.7114253191198538
Energy: 1.630291319367823
Energy: 1.7114253191209776
Energy: 1.6240087984720373
Energy: 1.7114253191209776
Energy: 1.7531315548213964
Energy: 1.739795893480513
Energy: 1.6817756137245268
Energy: 1.7397958934793891
Energy: 1.7531315548202726
Energy: 1.739795893480513
Energy: 1.7213917491023074
Energy: 1.8152307228656765
Energy: 1.9167993453058532
Energy: 1.8152307228656765
Energy: 1.7213917491023074
Energy: 1.8152307228656765
Energy: 1.6683339704587092
Energy: 1.6439972052424294
Energy: 1.6618329222951975
Energy: 1.6439972052413054
Energy: 1.668333970457586
Energy: 1.6439972052413054
Energy: 1.5498553904311179
Energy: 1.7227516547140012
Energy: 1.67924588556649
Energy: 1.7227516547140012
Energy: 1.5498553904299943
Energy: 1.722751654715125
Energy: 1.5377968722242223
Energy: 1.6392355426805998
Energy: 1.633747139728974
Energy: 1.6392355426794758
Energy: 1.5377968722242223
Energy: 1.6392355426794758
Energy: 1.5880117313776465
Energy: 1.7660543289005244
Energy: 1.5674157964770743
Energy: 1.7660543289005244
Energy: 1.5880117313776465
Energy: 1.7660543289005244
Energy: 1.5132543004820371
Energy: 1.6735180315976648
Energy: 1.5715974646102933
Energy: 1.6735180315976648
Energy: 1.5132543004820371
Energy: 1.6735180315976648

minimum gb energy = 1.4816987564895523 eV
minimum distance =  2.20829146931908 Angstroms
sigma value = 19


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

Energy: 1.729141243959572
Energy: 1.8141410988902211
Energy: 1.7529397322834501
Energy: 1.8141410988902211
Energy: 1.7291412439586018
Energy: 1.814141098889251
Energy: 1.6572693247200718
Energy: 1.7514374999887026
Energy: 1.5087441169611775
Energy: 1.7514374999896727
Energy: 1.6572693247200718
Energy: 1.7514374999896727
Energy: 1.547445947039639
Energy: 1.6358663401626379
Energy: 1.506021040894301
Energy: 1.6358663401626379
Energy: 1.547445947039639
Energy: 1.635866340163608
Energy: 1.5828623518872134
Energy: 1.6048068856250473
Energy: 1.4589361381297075
Energy: 1.6048068856260171
Energy: 1.5828623518872134
Energy: 1.6048068856260171
Energy: 1.4925164714596595
Energy: 1.6619191243651843
Energy: 1.480611994216308
Energy: 1.6619191243651843
Energy: 1.4925164714596595
Energy: 1.6619191243651843
Energy: 1.4449640736449896
Energy: 1.5627658356782448
Energy: 1.4623933833653324
Energy: 1.5627658356782448
Energy: 1.4449640736449896
Energy: 1.5627658356782448
Energy: 1.578628052316859
Energy: 1.6068842594346389
Energy: 1.380999368719558
Energy: 1.606884259435609
Energy: 1.5786280523178289
Energy: 1.6068842594346389
Energy: 1.5180606536366619
Energy: 1.6088268655344713
Energy: 1.394969250731181
Energy: 1.6088268655344713
Energy: 1.5180606536366619
Energy: 1.6088268655335012
Energy: 1.5413955319352284
Energy: 1.587873183498111
Energy: 1.4767389172716232
Energy: 1.587873183498111
Energy: 1.5413955319361983
Energy: 1.587873183498111
Energy: 1.5542190533535414
Energy: 1.6161423325516524
Energy: 1.6472848242370586
Energy: 1.6161423325516524
Energy: 1.5542190533535414
Energy: 1.6161423325506823
Energy: 1.608403989159889
Energy: 1.6028264392895766
Energy: 1.5058011419437893
Energy: 1.6028264392886067
Energy: 1.608403989159889
Energy: 1.6028264392895766
Energy: 1.6247199938250954
Energy: 1.725914688814308
Energy: 1.6897250888819197
Energy: 1.7259146888133379
Energy: 1.6247199938260652
Energy: 1.7259146888133379
Energy: 1.6417180275453302
Energy: 1.6930710889785328
Energy: 1.6569143422512924
Energy: 1.6930710889775626
Energy: 1.6417180275453302
Energy: 1.6930710889785328
Energy: 1.5717407964333443
Energy: 1.6034797280786417
Energy: 1.6588713940422177
Energy: 1.6034797280786417
Energy: 1.5717407964333443
Energy: 1.6034797280786417
Energy: 1.5568887228573864
Energy: 1.6594353801761796
Energy: 1.6890101130693709
Energy: 1.6594353801761796
Energy: 1.5568887228573864
Energy: 1.6594353801761796
Energy: 1.5509596794936917
Energy: 1.5866697753650705
Energy: 1.5607418387077998
Energy: 1.5866697753650705
Energy: 1.5509596794927218
Energy: 1.5866697753650705
Energy: 1.509917702014793
Energy: 1.5338577455812947
Energy: 1.5450220789988978
Energy: 1.5338577455812947
Energy: 1.509917702014793
Energy: 1.5338577455812947
Energy: 1.5948666021555766
Energy: 1.6863473599751053
Energy: 1.540388514377554
Energy: 1.6863473599760754
Energy: 1.5948666021555766
Energy: 1.6863473599760754
Energy: 1.5398379580473067
Energy: 1.5796919564247371
Energy: 1.5493327851192924
Energy: 1.579691956423767
Energy: 1.5398379580473067
Energy: 1.5796919564247371
Energy: 1.5285371284436675
Energy: 1.5995426818303324
Energy: 1.6238924050006327
Energy: 1.5995426818293623
Energy: 1.5285371284436675
Energy: 1.5995426818293623
Energy: 1.5583476103873561
Energy: 1.6194956779675165
Energy: 1.6734820744441343
Energy: 1.6194956779675165
Energy: 1.5583476103873561
Energy: 1.6194956779675165
Energy: 1.5254268289439954
Energy: 1.6037184874055834
Energy: 1.667205725005642
Energy: 1.6037184874055834
Energy: 1.5254268289439954
Energy: 1.6037184874055834
Energy: 1.6293781832883678
Energy: 1.7541903237033272
Energy: 1.6937208613051926
Energy: 1.7541903237023573
Energy: 1.6293781832883678
Energy: 1.7541903237033272
Energy: 1.7267739732653853
Energy: 1.8022399434382956
Energy: 1.737290481501018
Energy: 1.8022399434382956
Energy: 1.7267739732653853
Energy: 1.8022399434382956
Energy: 1.6312057285533905
Energy: 1.6360591135561133
Energy: 1.5195994640851394
Energy: 1.6360591135570832
Energy: 1.6312057285524206
Energy: 1.6360591135570832
Energy: 1.5250966589501556
Energy: 1.7289295565553855
Energy: 1.640700412406564
Energy: 1.7289295565544154
Energy: 1.5250966589501556
Energy: 1.7289295565544154
Energy: 1.548634470966491
Energy: 1.5985223479168904
Energy: 1.464177522912904
Energy: 1.5985223479159205
Energy: 1.548634470966491
Energy: 1.5985223479168904
Energy: 1.4739775482366737
Energy: 1.6310572060314321
Energy: 1.4227157505874883
Energy: 1.6310572060314321
Energy: 1.4739775482366737
Energy: 1.6310572060314321
Energy: 1.5373026411423227
Energy: 1.6040733390759634
Energy: 1.3742367365332626
Energy: 1.6040733390759634
Energy: 1.5373026411423227
Energy: 1.6040733390759634

minimum gb energy = 1.3742367365332626 eV
minimum distance =  2.22680498002076 Angstroms
sigma value = 101


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

Energy: 1.6233954672502213
Energy: 1.6107733859506725
Energy: 1.8163168838228705
Energy: 1.6107733859506725
Energy: 1.6233954672493687
Energy: 1.6107733859506725
Energy: 1.5559074923724774
Energy: 1.623358136829601
Energy: 1.541977552225954
Energy: 1.623358136830454
Energy: 1.55590749237333
Energy: 1.6233581368313066
Energy: 1.3536645024112868
Energy: 1.5563585625429381
Energy: 1.562958744887946
Energy: 1.5563585625429381
Energy: 1.3536645024112868
Energy: 1.5563585625437908
Energy: 1.5936721797030309
Energy: 1.522608801223398
Energy: 1.5123400666004811
Energy: 1.5226088012225452
Energy: 1.5936721797030309
Energy: 1.5226088012225452
Energy: 1.4964589335601832
Energy: 1.5491362883160578
Energy: 1.3125919897813327
Energy: 1.5491362883169104
Energy: 1.4964589335601832
Energy: 1.5491362883177633
Energy: 1.4059737202813658
Energy: 1.512552831690688
Energy: 1.4568868163866988
Energy: 1.512552831690688
Energy: 1.4059737202813658
Energy: 1.5125528316898351
Energy: 1.4329117066007269
Energy: 1.5542746245719221
Energy: 1.4294010809474014
Energy: 1.554274624572775
Energy: 1.4329117065998738
Energy: 1.5542746245719221
Energy: 1.4184118121877343
Energy: 1.5271424988194244
Energy: 1.4245834567058735
Energy: 1.5271424988194244
Energy: 1.418411812188587
Energy: 1.5271424988194244
Energy: 1.4874568723411263
Energy: 1.486875768196225
Energy: 1.3708426899842476
Energy: 1.4868757681953724
Energy: 1.4874568723419792
Energy: 1.4868757681953724
Energy: 1.3768454673874142
Energy: 1.5550590078713435
Energy: 1.5108689335382854
Energy: 1.5550590078721962
Energy: 1.3768454673865616
Energy: 1.5550590078713435
Energy: 1.4044816601167756
Energy: 1.4894553359880214
Energy: 1.6126906625350208
Energy: 1.4894553359871687
Energy: 1.4044816601167756
Energy: 1.4894553359871687
Energy: 1.5364718114728588
Energy: 1.5505478837726074
Energy: 1.4258244986008917
Energy: 1.5505478837726074
Energy: 1.5364718114737117
Energy: 1.5505478837726074
Energy: 1.5637251451295358
Energy: 1.5394245757428746
Energy: 1.5469942591460548
Energy: 1.5394245757454326
Energy: 1.5637251451295358
Energy: 1.53942457574458
Energy: 1.5239281884207134
Energy: 1.728977233296938
Energy: 1.5011304531280307
Energy: 1.7289772332960853
Energy: 1.5239281884215659
Energy: 1.728977233296938
Energy: 1.5298622778366784
Energy: 1.7461691994886597
Energy: 1.5507098300753306
Energy: 1.746169199487807
Energy: 1.5298622778358255
Energy: 1.7461691994869541
Energy: 1.573165171828547
Energy: 1.5398662768803633
Energy: 1.3542476056030335
Energy: 1.5398662768812161
Energy: 1.5731651718276944
Energy: 1.5398662768803633
Energy: 1.5290084214879447
Energy: 1.542501694068051
Energy: 1.3835374931411886
Energy: 1.5425016940689038
Energy: 1.5290084214887973
Energy: 1.5425016940689038
Energy: 1.3967618069162495
Energy: 1.5719041897015307
Energy: 1.372382161462304
Energy: 1.5719041897015307
Energy: 1.3967618069171022
Energy: 1.5719041897015307
Energy: 1.49257810223452
Energy: 1.500491435121825
Energy: 1.471566951945585
Energy: 1.500491435121825
Energy: 1.492578102233667
Energy: 1.500491435121825
Energy: 1.4303604120316842
Energy: 1.6546717642069757
Energy: 1.5770445960497301
Energy: 1.6546717642069757
Energy: 1.4303604120316842
Energy: 1.6546717642069757
Energy: 1.3484475253610824
Energy: 1.5352554563669834
Energy: 1.4181477482302058
Energy: 1.5352554563669834
Energy: 1.3484475253610824
Energy: 1.5352554563669834
Energy: 1.5758091581269549
Energy: 1.5030871091027387
Energy: 1.3567098475760304
Energy: 1.5030871091027387
Energy: 1.5758091581278075
Energy: 1.5030871091027387
Energy: 1.4008978217778714
Energy: 1.4847281476197014
Energy: 1.4873265319168012
Energy: 1.4847281476197014
Energy: 1.4008978217778714
Energy: 1.4847281476197014
Energy: 1.5239760816695294
Energy: 1.523477956462142
Energy: 1.4173262055283005
Energy: 1.5234779564629946
Energy: 1.5239760816712349
Energy: 1.5234779564629946
Energy: 1.5031869678212442
Energy: 1.8235513905993173
Energy: 1.5317645123045924
Energy: 1.8235513905993173
Energy: 1.5031869678220968
Energy: 1.8235513905993173
Energy: 1.4072515697631458
Energy: 1.5185300070692533
Energy: 1.5729567668297553
Energy: 1.5185300070684005
Energy: 1.4072515697631458
Energy: 1.5185300070684005
Energy: 1.5378884948504332
Energy: 1.7429437790080664
Energy: 1.5329760545798479
Energy: 1.7429437790072135
Energy: 1.537888494851286
Energy: 1.7429437790080664
Energy: 1.5391268321961074
Energy: 1.694091567505493
Energy: 1.530726908078755
Energy: 1.6940915675046404
Energy: 1.5391268321952545
Energy: 1.6940915675046404
Energy: 1.645510149441294
Energy: 1.5182565418472713
Energy: 1.621611646514092
Energy: 1.518256541848124
Energy: 1.645510149441294
Energy: 1.5182565418472713
Energy: 1.3949967710302895
Energy: 1.5433726386113784
Energy: 1.5593888858447102
Energy: 1.543372638612231
Energy: 1.3949967710302895
Energy: 1.5433726386130837
Energy: 1.575340741547108
Energy: 1.5396078960601618
Energy: 1.3972121803941047
Energy: 1.5396078960593091
Energy: 1.5753407415462553
Energy: 1.5396078960593091
Energy: 1.4334011345237039
Energy: 1.4783480434690626
Energy: 1.45696609470385
Energy: 1.4783480434690626
Energy: 1.4334011345245565
Energy: 1.4783480434699152
Energy: 1.6150379135323618
Energy: 1.6515246266090935
Energy: 1.483373665733915
Energy: 1.6515246266090935
Energy: 1.6150379135323618
Energy: 1.6515246266090935

minimum gb energy = 1.3125919897813327 eV
minimum distance =  2.23156077674084 Angstroms
sigma value = 33


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

Energy: 0.01495920006384239
Energy: 0.015096256599961215
Energy: 1.4091982409662123
Energy: 0.015096256599961215
Energy: 0.01495920006384239
Energy: 0.015096256600669697
Energy: 0.015106744337651619
Energy: 0.9323096030475119
Energy: 0.015106744337651619
Energy: 0.932309603048181
Energy: 0.015106744337651619
Energy: 0.9323096030475119
Energy: 1.4091982409668813
Energy: 0.015096256600669697
Energy: 0.01495920006384239
Energy: 0.015096256600669697
Energy: 1.4091982409668813
Energy: 0.015096256600669697
Energy: 0.015106744337651619
Energy: 0.932309603048181
Energy: 0.015106744337651619
Energy: 0.932309603048181
Energy: 0.015106744337651619
Energy: 0.9323096030488894

minimum gb energy = 0.01495920006384239 eV
minimum distance =  2.45227314350395 Angstroms
sigma value = 1