Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.868830233812332
cohesive_energy=4.130745590537839
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9559532565535397e-19, 2.7100016675793e-19, 3.28420575143856e-19, 3.7546688982463196e-19, 4.1539954025044794e-19, 4.49724572457264e-19, 4.79576327501952e-19, 5.057494849949759e-19, 5.2891856129925e-19, 5.49365539502358e-19, 5.674156614610019e-19, 5.833493080861319e-19, 5.97488516881182e-19, 6.098813531451719e-19, 6.20673614951796e-19, 6.299854655486039e-19, 6.379258529467079e-19, 6.4458770339088e-19, 6.500511257128199e-19, 6.543882178610579e-19, 6.576742821373919e-19, 6.599782121370839e-19, 6.61325642686278e-19, 6.61766241260628e-19, 6.61291996976964e-19, 6.597555095849579e-19, 6.570045723043799e-19, 6.5287896747183e-19, 6.47061464113776e-19, 6.39222013843614e-19, 6.289152115570919e-19, 6.15657199910742e-19, 5.988519691967159e-19, 5.77764120340008e-19, 5.5158936067035e-19, 5.19102025062732e-19, 4.78863358899822e-19, 4.2916864624304393e-19, 3.6771876362260793e-19, 2.91344605656462e-19, 1.9603592422970398e-19, 7.645795180410419e-20, -7.4571709252896e-20, -2.6681848574319e-19, -5.14745706794886e-19, -8.38487926167462e-19, -1.2681676667567519e-18, -1.8511548829236e-18, -2.6616159332324998e-18, -3.824539821255059e-18, -5.562581033818259e-18, -8.304081494021999e-18, -1.296407632107636e-17, -2.1799856152857597e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012647550430435915
Energy: -0.3133872199805268
Energy: 0.27828982909936095
Energy: 0.013356105658203355
Energy: -0.3133871082149639
Energy: 0.3030432934330601
Energy: -0.3288483312630046
Energy: 0.30304329343402836
Energy: 0.28793977314346386
Energy: -0.3289340314647784
Energy: 0.21011770860791712
Energy: -0.328933162965703
Energy: 0.013356105658203355
Energy: 0.30304329343402836
Energy: -0.3288563606841055
Energy: 0.30304329343402836

minimum gb energy = -0.3289340314647784 eV
minimum distance =  2.44354896205967 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.8634136151454037
Energy: 0.8348929726490152
Energy: 0.8350191888819585
Energy: 0.9132933364429051
Energy: 2.0418537710961253
Energy: 0.8363043909636746
Energy: 0.836023245461369
Energy: 0.8363043909660903
Energy: 2.0404266889054257
Energy: 0.83135352559598
Energy: 0.8380608511530727
Energy: 0.8313535255947722
Energy: 2.029596898654739
Energy: 0.834123405674405
Energy: 0.8540040928751902
Energy: 0.8341234056756128
Energy: 1.5918495468671645
Energy: 0.8324815078948273
Energy: 1.0337382775848778
Energy: 0.8324815078924117
Energy: 2.0290054324039386
Energy: 0.8500750568842038
Energy: 1.09374954301126
Energy: 0.8500750568805804
Energy: 1.591921025333769
Energy: 0.8356051203622659
Energy: 1.0986726164321285
Energy: 0.8356051203634738
Energy: 1.5966535424402917
Energy: 0.8346044766983142
Energy: 1.0970663675785726
Energy: 0.834604476692275
Energy: 1.3142972311109793
Energy: 0.8634291651301828
Energy: 1.063806496363219
Energy: 0.8634291651289749
Energy: 1.6028740666590253
Energy: 0.9120846760738536
Energy: 1.6026375583798564
Energy: 0.9120846760738536
Energy: 1.4989145732617728
Energy: 0.8665020250535728
Energy: 1.4575392932619269
Energy: 0.8665020250535728
Energy: 1.0826112749604355
Energy: 0.8367859192268365
Energy: 1.5851296078641095
Energy: 0.8367859192244207
Energy: 1.0987162508857964
Energy: 0.9118565681286199
Energy: 1.5931421839711262
Energy: 0.9118565681322436
Energy: 1.0922756577157964
Energy: 0.8314452997421636
Energy: 2.019251495578447
Energy: 0.8314452997421636
Energy: 1.0860264523332814
Energy: 0.8344800704038035
Energy: 1.737631420624058
Energy: 0.8344800704025955
Energy: 0.8776148986523071
Energy: 0.8758833311409296
Energy: 2.024688767210456
Energy: 0.875883331138514
Energy: 0.8378304779558282
Energy: 0.8304773126731845
Energy: 2.037790519836118
Energy: 0.8304773126731845
Energy: 0.8351981242829657
Energy: 0.8369111636164447
Energy: 2.044863211768186
Energy: 0.8369111636140291
Energy: 0.8334457449920769
Energy: 0.8363528800606028
Energy: 1.869690186336543
Energy: 0.8363528800606028
Energy: 0.9200827723201185
Energy: 0.8501533227146354
Energy: 2.017866802612968
Energy: 0.8501533227146354
Energy: 0.9263372283739096
Energy: 0.8326257688619311
Energy: 1.884785740113943
Energy: 0.8326257688740094
Energy: 0.9265240913895955
Energy: 0.8332956122332914
Energy: 1.8584723666599277
Energy: 0.8332956122272523
Energy: 0.9157589551133165
Energy: 0.8508502498310999
Energy: 1.5920378295394897
Energy: 0.8508502498371392
Energy: 1.3152653450375493
Energy: 0.846616337180622
Energy: 1.8807100771981955
Energy: 0.846616337180622
Energy: 1.318431522315672
Energy: 0.9252597395483868
Energy: 1.5101251480382905
Energy: 0.9252597395459712
Energy: 1.3141766419520875
Energy: 0.9385003646847229
Energy: 1.3170042097445134
Energy: 0.9385003646810994
Energy: 1.3161284656751877
Energy: 0.8444367848493352
Energy: 1.3172250151494334
Energy: 0.8444367848469194
Energy: 1.858990945250744
Energy: 0.8352711369986148
Energy: 1.3003894408138144
Energy: 0.8352711370010304
Energy: 1.7513540950318565
Energy: 0.8517206041712672
Energy: 1.3149649534960137
Energy: 0.8517206041688515
Energy: 1.740877377623809
Energy: 0.8459972192904932
Energy: 0.9170805496013457
Energy: 0.8459972192784148
Energy: 1.8695090630594986
Energy: 0.8341684996732052
Energy: 0.9248385864714951
Energy: 0.8341684996756208
Energy: 2.001782045995363
Energy: 0.8351175875696492
Energy: 0.9167428343356784
Energy: 0.8351175875672334
Energy: 1.9993984313601596
Energy: 0.835568914632201
Energy: 0.9114437939174856
Energy: 0.8355689146309931

minimum gb energy = 0.8304773126731845 eV
minimum distance =  2.35839525858902 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 2.9571819382571176
Energy: 0.8953911235019025
Energy: 0.9433385096656965
Energy: 0.9163903909618322
Energy: 1.9404045278563467
Energy: 0.895653580930862
Energy: 0.8973708893919197
Energy: 0.8956535809377476
Energy: 1.9223684706078887
Energy: 0.8944793219957964
Energy: 0.89365803400053
Energy: 0.8944793219957964
Energy: 1.9448310331530003
Energy: 0.8950654730533079
Energy: 0.9261682529797842
Energy: 0.8950654730588166
Energy: 1.574186229276831
Energy: 0.8960433540681246
Energy: 0.9572868385700106
Energy: 0.8960433540695018
Energy: 1.9145618249860625
Energy: 0.8960396851659667
Energy: 1.0948290747906841
Energy: 0.8960396851659667
Energy: 1.5967158175045417
Energy: 0.9916482719512983
Energy: 1.1189231960687063
Energy: 0.9916482719512983
Energy: 1.5976704822492132
Energy: 0.8942858468834393
Energy: 1.1209043082492305
Energy: 0.8942858468834393
Energy: 1.6088192409161313
Energy: 0.8935330113400934
Energy: 1.3354107027589999
Energy: 0.8935330113332078
Energy: 1.593731399484159
Energy: 0.9907827124623177
Energy: 1.610681753806944
Energy: 0.9907827124692035
Energy: 1.3646699205773591
Energy: 0.8937178353048987
Energy: 1.2891292573306692
Energy: 0.8937178353062759
Energy: 1.1331504827454832
Energy: 0.8881769340379975
Energy: 1.2575626546406986
Energy: 0.8881769340269802
Energy: 1.1147675427710761
Energy: 0.985883285432717
Energy: 1.6032624816028522
Energy: 0.9858832854478656
Energy: 1.0949512274955713
Energy: 0.8932252747677444
Energy: 1.9501863086480338
Energy: 0.8932252747760071
Energy: 1.091156002244824
Energy: 0.8946401816907086
Energy: 1.876996696715696
Energy: 0.8946401816920858
Energy: 0.9248267369528376
Energy: 0.8916017488644417
Energy: 1.9025068142359953
Energy: 0.8916017488630645
Energy: 0.8942892347402293
Energy: 0.8942828414935351
Energy: 1.929382648019215
Energy: 0.8942828414935351
Energy: 0.8946117693335385
Energy: 0.8949677558041885
Energy: 1.9334568469523867
Energy: 0.8949677558028113
Energy: 0.894624619068995
Energy: 0.8947948683057502
Energy: 1.580692087969375
Energy: 0.894794868304373
Energy: 1.0923415239573437
Energy: 0.8949364227593172
Energy: 1.9376149932227194
Energy: 0.8949364227675802
Energy: 1.1180746234367525
Energy: 0.8945734354362402
Energy: 1.613558799040649
Energy: 0.8945734354362402
Energy: 1.113283911226738
Energy: 0.8951779239305896
Energy: 1.5958456613467074
Energy: 0.8951779239305896
Energy: 1.0864571030368162
Energy: 0.8896105576573786
Energy: 1.6031259040151775
Energy: 0.8896105576918074
Energy: 1.6150608271907385
Energy: 0.9774273209490693
Energy: 1.5922558443022456
Energy: 0.9774273209600866
Energy: 1.284516340042982
Energy: 0.895735719004085
Energy: 1.3603273362779775
Energy: 0.895735718994445
Energy: 1.2623646604542293
Energy: 0.8958093637602964
Energy: 1.075667663485962
Energy: 0.8958093637616736
Energy: 1.6153698119040154
Energy: 1.006683800207476
Energy: 1.1145168814833575
Energy: 1.006683800207476
Energy: 1.9412402669808
Energy: 0.9232448439195334
Energy: 1.0594209640062688
Energy: 0.9232448439181563
Energy: 1.8780301908053871
Energy: 0.8942369319793086
Energy: 1.0929333961404217
Energy: 0.8942369319806858

minimum gb energy = 0.8881769340269802 eV
minimum distance =  2.36530267951265 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.8271817339588108
Energy: 0.9324030687537648
Energy: 1.0116336622993425
Energy: 0.9795671553172226
Energy: 1.7038057181732007
Energy: 0.964223973867913
Energy: 0.9393183610540156
Energy: 0.964223973867913
Energy: 1.7222888394869167
Energy: 0.9428155575679689
Energy: 0.940911017895866
Energy: 0.9428155575695698
Energy: 1.7484056140858442
Energy: 0.9456409163510556
Energy: 0.9392223014032566
Energy: 0.9456409163510556
Energy: 1.5527861902394287
Energy: 0.943730846571745
Energy: 1.0808115355110741
Energy: 0.943730846571745
Energy: 1.721179937077347
Energy: 0.9764522140253818
Energy: 1.2830351150546357
Energy: 0.9764522140253818
Energy: 1.2686703103165295
Energy: 1.0172570588399803
Energy: 1.3194731912057227
Energy: 1.0172570588399803
Energy: 1.2627733439264004
Energy: 1.050872121861343
Energy: 1.3051031755657143
Energy: 1.050872121861343
Energy: 1.313526059086136
Energy: 1.0595206203730287
Energy: 1.235876162432429
Energy: 1.0595206203730287
Energy: 1.2456251725104674
Energy: 0.9779785000723904
Energy: 1.6952336084017825
Energy: 0.9779785000707895
Energy: 1.1147943931654531
Energy: 0.9779112190735311
Energy: 1.728676835286461
Energy: 0.9779112190735311
Energy: 1.0127277204297644
Energy: 0.9399719664792872
Energy: 1.6987209373242675
Energy: 0.9399719664808881
Energy: 0.9432537513642588
Energy: 0.9428570726334444
Energy: 1.692529610482909
Energy: 0.9428570726334444
Energy: 0.9473023760256651
Energy: 0.9782841761499277
Energy: 1.7304561346341194
Energy: 0.9782841761499277
Energy: 0.94434100922304
Energy: 0.9434360278961196
Energy: 1.5378932913029302
Energy: 0.9434360278961196
Energy: 1.0391158712233362
Energy: 0.9456312119607124
Energy: 1.7311094733841272
Energy: 0.9456312119623134
Energy: 1.0448251679312404
Energy: 0.944426987360979
Energy: 1.7344882165282085
Energy: 0.944426987360979
Energy: 1.065312380175992
Energy: 0.9425931689026509
Energy: 1.4927682639936524
Energy: 0.9425931689058528
Energy: 1.0234972185842397
Energy: 0.9457335584967623
Energy: 1.2877487045561788
Energy: 0.9457335584967623
Energy: 1.5490347641311857
Energy: 1.0428652379781955
Energy: 1.5610959833416613
Energy: 1.0428652379813972
Energy: 1.4059378965698026
Energy: 1.0129718214794403
Energy: 1.5800343310282212
Energy: 1.0129718214794403
Energy: 1.4268799154375247
Energy: 0.9656608560853027
Energy: 1.10064129615619
Energy: 0.9656608560869038
Energy: 1.5232769270403062
Energy: 0.9350843503421279
Energy: 1.0577930669135458
Energy: 0.9350843503485314
Energy: 1.716547704436655
Energy: 1.0110736338090007
Energy: 1.088261937595309
Energy: 1.0110736338106017
Energy: 1.6606160258901534
Energy: 0.9441327414386699
Energy: 1.0104602476897628
Energy: 0.9441327414370689

minimum gb energy = 0.9324030687537648 eV
minimum distance =  2.37140483580584 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 2.4917447854743466
Energy: 1.0000567102634688
Energy: 0.983543762893621
Energy: 0.9366269361251333
Energy: 1.4978351332831794
Energy: 1.0142290486314252
Energy: 1.0071028133184463
Energy: 1.0142290486445982
Energy: 1.47842303145574
Energy: 1.0031197347207323
Energy: 0.9884878613921224
Energy: 1.0031201750355072
Energy: 1.352218933361588
Energy: 0.9844389427634125
Energy: 1.0627315792741916
Energy: 0.9844389364017995
Energy: 1.248005169902203
Energy: 1.0211604519495117
Energy: 0.9782031444910148
Energy: 1.0211604519569553
Energy: 1.4428903706238327
Energy: 1.1128234271008024
Energy: 1.2955297316784626
Energy: 1.1128234276958
Energy: 1.4793245689547914
Energy: 1.0739178775297837
Energy: 0.9536076123810272
Energy: 1.019904290952351
Energy: 1.3163378667865326
Energy: 1.0587287176865436
Energy: 1.295966874369675
Energy: 1.076583200632854
Energy: 1.2881252139822967
Energy: 1.0962810721927145
Energy: 1.2293163197318469
Energy: 1.0962500856016426
Energy: 1.2793960141510607
Energy: 1.0098722420159536
Energy: 1.3692122721307436
Energy: 1.0098722419268027
Energy: 1.2022705479596372
Energy: 0.943596298882123
Energy: 1.505959719869071
Energy: 0.9265521050493035
Energy: 0.9672004958919623
Energy: 1.0229856363251513
Energy: 1.457460068737838
Energy: 1.0229856363682943
Energy: 0.997466743367536
Energy: 0.9696191189896823
Energy: 1.4816899265463463
Energy: 0.9696181333852932
Energy: 1.0206436987320564
Energy: 0.9200262387401057
Energy: 1.4675472946364843
Energy: 0.9210490180311468
Energy: 1.006109725150835
Energy: 1.0082376679704488
Energy: 1.2906615885498125
Energy: 1.0082376680099676
Energy: 1.3352220151476077
Energy: 1.0106631980759164
Energy: 1.4278534106596836
Energy: 1.0062619118019598
Energy: 0.939660861220336
Energy: 0.9831232948077524
Energy: 1.4865071205685423
Energy: 0.9831232948073618
Energy: 0.9570234036995253
Energy: 1.0672802565965704
Energy: 1.3095489663968791
Energy: 1.0674280099631346
Energy: 1.312371666690719
Energy: 1.11699218707863
Energy: 1.3194573286595985
Energy: 1.1170917978117125
Energy: 1.4345040572613375
Energy: 1.09311856820501
Energy: 1.2633428593419227
Energy: 1.0931185691506862
Energy: 1.5056183608657148
Energy: 1.005352430359882
Energy: 1.193577327737217
Energy: 1.0053524310125412

minimum gb energy = 0.9200262387401057 eV
minimum distance =  2.37057314675516 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.3194421757350265
Energy: 1.191908087442621
Energy: 1.2153821821855004
Energy: 1.217836994884774
Energy: 1.159115944883248
Energy: 1.1522087302265698
Energy: 1.1495115228628068
Energy: 1.1522087302369564
Energy: 1.3059418532552065
Energy: 1.1669797336973127
Energy: 1.1349897934551645
Energy: 1.1669797337001577
Energy: 1.1891434139908272
Energy: 1.2023110871592027
Energy: 1.207086736853252
Energy: 1.2023110871596858
Energy: 1.1614574524828625
Energy: 1.2173904637489161
Energy: 1.2602604185910338
Energy: 1.217390463745132
Energy: 1.2863033165751188
Energy: 1.2729992181307852
Energy: 1.3240004962822287
Energy: 1.2729992181305438
Energy: 1.182333768137016
Energy: 1.2431136546560786
Energy: 1.2999692595228758
Energy: 1.2431136546494765
Energy: 1.0843716877042704
Energy: 1.1624399145848447
Energy: 1.2951607041213617
Energy: 1.1624399145767932
Energy: 1.2122039263321434
Energy: 1.1765515271548541
Energy: 1.260454258911986
Energy: 1.1765515271491913
Energy: 1.1618384187639623
Energy: 1.1318144673677866
Energy: 1.232285907384001
Energy: 1.1318144618830823
Energy: 1.1874549846170648
Energy: 1.1792083417085473
Energy: 1.1870973490069068
Energy: 1.1792083417401897
Energy: 1.2452035989672563
Energy: 1.154908702504335
Energy: 1.2106423558006112
Energy: 1.1549087025291338
Energy: 1.260620394430898
Energy: 1.134820200674768
Energy: 1.2104929368316546
Energy: 1.13482020064691
Energy: 1.265835813996411
Energy: 1.258584586515251
Energy: 1.2118965873563217
Energy: 1.2585845865308172
Energy: 1.3044340868462208
Energy: 1.2567736952247308
Energy: 1.2675755596076896
Energy: 1.2567736958696853
Energy: 1.2224903422856725
Energy: 1.1565078980136843
Energy: 1.273454762896374
Energy: 1.1565078980103827
Energy: 1.1365528845914095
Energy: 1.086154329745976
Energy: 1.2600169667692416
Energy: 1.0861556790568405

minimum gb energy = 1.0843716877042704 eV
minimum distance =  2.37089196214612 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.3890646042319228
Energy: 1.322920531919747
Energy: 1.2630136004408425
Energy: 1.3107517391689711
Energy: 1.3199367192883038
Energy: 1.1854674254010542
Energy: 1.1905247096704303
Energy: 1.1854674253970414
Energy: 1.2894011867026254
Energy: 1.3285508266988242
Energy: 1.3190874542058995
Energy: 1.3285508266988242
Energy: 1.362836464253869
Energy: 1.3261429514671992
Energy: 1.3269171991558066
Energy: 1.3261429514685368
Energy: 1.3945808883637252
Energy: 1.3461700267867969
Energy: 1.256699875406932
Energy: 1.3461700267814465
Energy: 1.2934192928149821
Energy: 1.296611743342741
Energy: 1.2757556820718035
Energy: 1.296611743344079
Energy: 1.3315699465068025
Energy: 1.236508371828559
Energy: 1.2636353826853906
Energy: 1.236508371828559
Energy: 1.2357635643693665
Energy: 1.234994377487524
Energy: 1.3270192054451282
Energy: 1.2349943774848489
Energy: 1.2347611124773483
Energy: 1.3265047785984425
Energy: 1.2599449669254759
Energy: 1.326504778595767
Energy: 1.2792894270751631
Energy: 1.2824045611922217
Energy: 1.3110869466712924
Energy: 1.282404561438219
Energy: 1.2369658256946285
Energy: 1.2925545471463697
Energy: 1.3487381537152772
Energy: 1.2925545471477073
Energy: 1.279741881742417
Energy: 1.289935482999744
Energy: 1.2972756937199539
Energy: 1.2899354830010819
Energy: 1.3194892870439907
Energy: 1.289076165455159
Energy: 1.2809570120273226
Energy: 1.2890761654444582
Energy: 1.3227524677683802
Energy: 1.2901987167969617
Energy: 1.2176468441049433
Energy: 1.2901987168116449
Energy: 1.2424433137764792
Energy: 1.2902331375672411
Energy: 1.2849122404819011
Energy: 1.2902331375685785
Energy: 1.2600307985398478
Energy: 1.2935028020214598
Energy: 1.2350424794198092
Energy: 1.2935028020214598
Energy: 1.2864786889368063
Energy: 1.2293505291771525
Energy: 1.1655010943092907
Energy: 1.2293505291798275
Energy: 1.2945250948878173
Energy: 1.2278980046241919
Energy: 1.299890744188966
Energy: 1.2278980046241919
Energy: 1.2632700199091762
Energy: 1.388072606837933
Energy: 1.3330374809339265
Energy: 1.3880726068365954
Energy: 1.192475510625675
Energy: 1.3366008373036096
Energy: 1.4070852902759827
Energy: 1.3366008373824976
Energy: 1.3251536792392555
Energy: 1.326366920488393
Energy: 1.325832742171439
Energy: 1.3263669204910684
Energy: 1.1918017479488359
Energy: 1.3282758478113124
Energy: 1.291373949472381
Energy: 1.3282758478099745
Energy: 1.1925881310161053
Energy: 1.1846009531684218
Energy: 1.2747296106015145
Energy: 1.1846009531684218
Energy: 1.3955768450945036
Energy: 1.3270065183689523
Energy: 1.2568186452752705
Energy: 1.3270065183609265
Energy: 1.2710480704544935
Energy: 1.1840285107195614
Energy: 1.3305656792026344
Energy: 1.1840285107195614
Energy: 1.373237347941787
Energy: 1.3247228141731142
Energy: 1.289431881850796
Energy: 1.324722814177127
Energy: 1.376647591539918
Energy: 1.3963965625697912
Energy: 1.3605362637569873
Energy: 1.3963965625697912
Energy: 1.3206606769511002
Energy: 1.3122853218106028
Energy: 1.3742591749489161
Energy: 1.3122853219951003
Energy: 1.3022755653930616
Energy: 1.1797480019844846
Energy: 1.2706008091301852
Energy: 1.1797480019951856
Energy: 1.250719606339835
Energy: 1.3260789296656907
Energy: 1.3759697335879528
Energy: 1.3260789296630155

minimum gb energy = 1.1655010943092907 eV
minimum distance =  2.35746693689554 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4745232793271885
Energy: -0.1886871949008637
Energy: -0.14053218366311215
Energy: 1.482235019515951
Energy: -0.16135198057041916
Energy: 1.559208666525855
Energy: -0.216350028322869
Energy: 1.5592086665237204
Energy: -0.15269330453904115
Energy: -0.167135765590742
Energy: -0.21653287962092038
Energy: -0.14474540315536175
Energy: -0.16617788004310857
Energy: -0.19342329396111516
Energy: -0.2516334582244728
Energy: -0.17499022849945126
Energy: -0.16555494576606755
Energy: 1.300919678340435
Energy: 0.9492736607228
Energy: 1.3009196783428845
Energy: -0.16816147885367858
Energy: 0.9994095095429183
Energy: -0.11199853027289565
Energy: -0.19874290632782193
Energy: -0.15106017453968815
Energy: -0.19547920664164276
Energy: -0.6738545403446976
Energy: -0.22887456238485054
Energy: -0.22759421759480472
Energy: -0.16353093612313618
Energy: -0.6433400042825196
Energy: -0.17057470675047845
Energy: -0.19136104837471235
Energy: 1.0581502641415788
Energy: -0.09626813801494079
Energy: 1.0581634840027005
Energy: 0.9857054401888931
Energy: 0.9236464145958786
Energy: 0.9715403172014597
Energy: -0.22509232346379024
Energy: 0.8898062875572476
Energy: 1.2818604625706391
Energy: -0.10139961576668442
Energy: 1.2818607218576277
Energy: 0.8783273204596566
Energy: 0.9276770302457401
Energy: -0.1576204778510958
Energy: -0.19914971132022602
Energy: -0.6836350549104284
Energy: 0.8255938453308712
Energy: -0.12939225942971103
Energy: -0.15973597052428903

minimum gb energy = -0.6836350549104284 eV
minimum distance =  2.42442375428868 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.4147855810315892
Energy: 1.3487803844489326
Energy: 1.3463227390829555
Energy: 1.3290906741866857
Energy: 1.3478012244606234
Energy: 1.3721145734551026
Energy: 1.2914209898008082
Energy: 1.3721145734585218
Energy: 1.2763798996427602
Energy: 1.491182116266292
Energy: 1.3317022940126133
Energy: 1.491182116267432
Energy: 1.2974598752022632
Energy: 1.4911183827748233
Energy: 1.3529599243132697
Energy: 1.4911183827736834
Energy: 1.4163388005774136
Energy: 1.501832709655958
Energy: 1.2605936584628048
Energy: 1.501832709655958
Energy: 1.2960498308995418
Energy: 1.4454020771599458
Energy: 1.3493395192267288
Energy: 1.4454020771599458
Energy: 1.278524317053908
Energy: 1.2617893980168777
Energy: 1.411350923192484
Energy: 1.2617893981717778
Energy: 1.3414952448956248
Energy: 1.2881774261977317
Energy: 1.3585561313829877
Energy: 1.288177426196592
Energy: 1.3728945109589765
Energy: 1.4115414127416783
Energy: 1.3574222135567535
Energy: 1.411541412742818
Energy: 1.4149792508234849
Energy: 1.3802835135584506
Energy: 1.2905177328866102
Energy: 1.3802835135595903
Energy: 1.3777055512439438
Energy: 1.406572534410328
Energy: 1.3931878997876417
Energy: 1.4065725344080484
Energy: 1.3089634813846547
Energy: 1.3670973843589762
Energy: 1.281620894799431
Energy: 1.3670973843589762
Energy: 1.366050303912601
Energy: 1.291674208437502
Energy: 1.290495437210505
Energy: 1.2916742084409212
Energy: 1.396910073328246
Energy: 1.294219103743707
Energy: 1.4053143937850423
Energy: 1.2942191037448467
Energy: 1.39200613618559
Energy: 1.382555694292748
Energy: 1.3927891964365318
Energy: 1.382555694293888
Energy: 1.3695766026676433
Energy: 1.3530410958680192
Energy: 1.4813336774866908
Energy: 1.3530410958680192
Energy: 1.34894305239533
Energy: 1.3471165940213434
Energy: 1.363196987711803
Energy: 1.3471165940190641
Energy: 1.2835673787111324
Energy: 1.2514591186819464
Energy: 1.3254000765093445
Energy: 1.2514591186842259
Energy: 1.3109168011525425
Energy: 1.308719952366093
Energy: 1.380369581550918
Energy: 1.3087199523649533
Energy: 1.2791441295569579
Energy: 1.3142386957840364
Energy: 1.4353797802892727
Energy: 1.3142386957828966
Energy: 1.3442528622466117
Energy: 1.298491179084287
Energy: 1.370217223080497
Energy: 1.298491179126457
Energy: 1.3594220065305256
Energy: 1.3112922691922089
Energy: 1.3953911990675074
Energy: 1.31129226918765
Energy: 1.3858185355668224
Energy: 1.2977777703834605
Energy: 1.272323329744551
Energy: 1.2977777706147224
Energy: 1.359980945379294
Energy: 1.3417195210261597
Energy: 1.3098375124476638
Energy: 1.3417195210272994
Energy: 1.4000521261111611
Energy: 1.345840945811409
Energy: 1.336776780854106
Energy: 1.3458409458091294
Energy: 1.4258100163791363
Energy: 1.3511460312026966
Energy: 1.2736667292116564
Energy: 1.351146031204976
Energy: 1.404662976568052
Energy: 1.3438913781939792
Energy: 1.4133255579742807
Energy: 1.3438913781962585
Energy: 1.4258117275861126
Energy: 1.2900087969676637
Energy: 1.3273079888776966
Energy: 1.2900087969676637
Energy: 1.2842571251444403
Energy: 1.2960791692607478
Energy: 1.3495690738387984
Energy: 1.2960791692596079
Energy: 1.2897751900241285
Energy: 1.2891149471866514
Energy: 1.3928881414760035
Energy: 1.2891149471820926
Energy: 1.3083555805808986
Energy: 1.4095173423170289
Energy: 1.3844077939454849
Energy: 1.4095173423238154
Energy: 1.3128722871909502
Energy: 1.4119293118369747
Energy: 1.3783103579590574
Energy: 1.4119293118369747
Energy: 1.351435988684963
Energy: 1.4088326807494709
Energy: 1.4460505548790588
Energy: 1.4088326807551697
Energy: 1.3492834174996944
Energy: 1.3165996343755977
Energy: 1.3776845201847185
Energy: 1.3165996343767377
Energy: 1.4035879317871391
Energy: 1.2936260114594142
Energy: 1.3816031936189845
Energy: 1.2936260114582745

minimum gb energy = 1.2514591186819464 eV
minimum distance =  2.37685276251164 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.5392426904716332
Energy: 1.271381449535093
Energy: 1.280892516909917
Energy: 1.2466903168542955
Energy: 1.1715642641023978
Energy: 1.3609362189479002
Energy: 1.0737775213327052
Energy: 1.3609362188531915
Energy: 1.0560222128309087
Energy: 1.4312104757413695
Energy: 1.116679599726596
Energy: 1.4312104757437325
Energy: 1.3048356607936533
Energy: 1.4120245588882963
Energy: 1.392957969149484
Energy: 1.4120245420017639
Energy: 1.3482667848439103
Energy: 1.4101695717797782
Energy: 0.9342387925361794
Energy: 1.4101695669294187
Energy: 1.1277233519164196
Energy: 1.3528437876710504
Energy: 1.2811494318722294
Energy: 1.352843787734669
Energy: 1.0322884244218393
Energy: 1.0577932380927522
Energy: 1.3359486731591368
Energy: 1.0573756651059525
Energy: 0.8122524846550079
Energy: 1.1074623652869575
Energy: 1.2379042720806275
Energy: 1.0396523226945924
Energy: 0.8091508874356235
Energy: 1.3190285735113394
Energy: 1.2714011516889117
Energy: 1.3190285735115241
Energy: 1.2790157133462334
Energy: 1.3068179469566523
Energy: 1.1674915146891904
Energy: 1.3068179469631664
Energy: 1.0287947420770995
Energy: 1.265332747632565
Energy: 1.2747262272744058
Energy: 1.2418713641612458
Energy: 1.0149577105553602
Energy: 1.2565114489461064
Energy: 1.164683957350559
Energy: 1.2565114489462708
Energy: 1.1866333343131332
Energy: 1.1272864317424551
Energy: 1.2188324723918085
Energy: 1.1933249519437732
Energy: 1.118956834961365
Energy: 1.1711570330294236
Energy: 1.341628388324324
Energy: 1.1627114170652717
Energy: 1.3190257800485823
Energy: 1.290086314478646
Energy: 1.295026956023611
Energy: 1.290086324649682
Energy: 1.2847414915213358
Energy: 1.1770798037381003
Energy: 1.424567291902489
Energy: 1.1717510182370041
Energy: 1.160340576897147
Energy: 1.2208034697003507
Energy: 1.4292237986378902
Energy: 1.2208034876894405
Energy: 1.1676637096384697
Energy: 1.1714180794113642
Energy: 1.0988006185662278
Energy: 1.1714147474274839
Energy: 1.2706772521487137
Energy: 1.2950456164332227
Energy: 1.0417447276654246
Energy: 1.2950456164630386
Energy: 1.2041973882079582
Energy: 1.2938977975778394
Energy: 1.3531780516936662
Energy: 1.2938977975761954
Energy: 1.2183479119618283
Energy: 1.311117893214857
Energy: 1.1938930437171673
Energy: 1.3111178932144874
Energy: 1.2114436976117797
Energy: 1.075847871574348
Energy: 1.2652590335417782
Energy: 1.05223505157575

minimum gb energy = 0.8091508874356235 eV
minimum distance =  2.39117997662483 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.5663963471670215
Energy: 1.3216196004551746
Energy: 1.3361515518791633
Energy: 1.3223509358680623
Energy: 1.3113598990875233
Energy: 1.3516158269417164
Energy: 1.2850837412684135
Energy: 1.351615826944274
Energy: 1.320445170451562
Energy: 1.3459849814284799
Energy: 1.3418383040641577
Energy: 1.3459849814272011
Energy: 1.437407851488969
Energy: 1.346309200418239
Energy: 1.4338547202857181
Energy: 1.3463092004169603
Energy: 1.384228485091548
Energy: 1.3463338448388733
Energy: 1.3115399071219045
Energy: 1.3463338448388733
Energy: 1.2956371202596964
Energy: 1.3526630061947185
Energy: 1.2839924664656501
Energy: 1.3526630061947185
Energy: 1.3183315960698527
Energy: 1.2781382839726656
Energy: 1.3933087072646855
Energy: 1.2781382841605393
Energy: 1.349074958442281
Energy: 1.3143263558913256
Energy: 1.4639042325631482
Energy: 1.314326355893883
Energy: 1.2898407723423124
Energy: 1.259000859901725
Energy: 1.2931923276484323
Energy: 1.2590004608407916
Energy: 1.4491674191068147
Energy: 1.264072815420068
Energy: 1.2937437826118796
Energy: 1.264072811846571
Energy: 1.606494245880841
Energy: 1.2600390630747027
Energy: 1.2912548244223523
Energy: 1.2600390650748834
Energy: 1.2912932549800888
Energy: 1.2782778769444973
Energy: 1.2926129045681425
Energy: 1.2782778765112397
Energy: 1.4314241732885047
Energy: 1.2860929724102905
Energy: 1.2924210565016563
Energy: 1.2860929724102905
Energy: 1.6228649061960605
Energy: 1.2929507453557787
Energy: 1.2902501213575666
Energy: 1.2929507453557787
Energy: 1.3193120488006256
Energy: 1.3488588765596854
Energy: 1.3140420245521587
Energy: 1.3488588765596854
Energy: 1.346178125723696
Energy: 1.2575803134970795
Energy: 1.2729706050697662
Energy: 1.2575803134651133
Energy: 1.3205505779199094
Energy: 1.3512054683899384
Energy: 1.2839206808635266
Energy: 1.351205468391217
Energy: 1.3361741139184355
Energy: 1.347455596641138
Energy: 1.326205699446332
Energy: 1.3474555966398591
Energy: 1.3888951512034828
Energy: 1.3482870022368239
Energy: 1.4362748243417445
Energy: 1.3482870022355453
Energy: 1.3242145289699865
Energy: 1.3547415958570488
Energy: 1.3846013954297216
Energy: 1.3547415958544915
Energy: 1.3398064317627316
Energy: 1.3510875171128658
Energy: 1.2980479860429692
Energy: 1.3510875171128658
Energy: 1.465818225743991
Energy: 1.3020330370121067
Energy: 1.2774273519884776
Energy: 1.3020330369942346
Energy: 1.4350131521939693
Energy: 1.3060704786442998
Energy: 1.3556193772918246
Energy: 1.3060704785305584
Energy: 1.2847934664335836
Energy: 1.2848917514259297
Energy: 1.3031768705426912
Energy: 1.2848917514272082
Energy: 1.2911215810186327
Energy: 1.2774791249892816
Energy: 1.4394066478093437
Energy: 1.2774791249522297
Energy: 1.291865792701223
Energy: 1.288698296686037
Energy: 1.4153054498196445
Energy: 1.288698296686037
Energy: 1.2669318286355018
Energy: 1.2784086792599738
Energy: 1.2533015856532195
Energy: 1.2784086792727603
Energy: 1.2900454755996946
Energy: 1.2884203890179486
Energy: 1.3547963015373543
Energy: 1.288420389019227
Energy: 1.291803268581175
Energy: 1.2902691984007184
Energy: 1.5543515957280714
Energy: 1.2902691983968826
Energy: 1.3162193247456884
Energy: 1.2882976433875817
Energy: 1.2979740693551434
Energy: 1.2882976433888604
Energy: 1.2821592053741657
Energy: 1.3459924845214337
Energy: 1.3319694955158532
Energy: 1.3459924845406137

minimum gb energy = 1.2533015856532195 eV
minimum distance =  2.33733323038618 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4789097489025151
Energy: 0.3611075436772364
Energy: 0.37574298624640123
Energy: 0.34734605879028135
Energy: 0.6852200459383189
Energy: 1.0029654272333046
Energy: 0.32171140309822255
Energy: 1.002956890665952
Energy: 0.7880646153878749
Energy: 0.9760870695992627
Energy: 0.6140283099841769
Energy: 0.982387367797355
Energy: 1.1308724985932885
Energy: 0.9993746391128926
Energy: 0.7367711668129426
Energy: 0.9189654324665496
Energy: 0.9532788106722072
Energy: 0.9494468152091248
Energy: 0.719450536127501
Energy: 0.9690449814585457
Energy: 0.2912511819535524
Energy: 0.48064825428137314
Energy: 0.3632804850482983
Energy: 0.6344076517712844
Energy: 0.3154555619782223
Energy: 0.3073477276974693
Energy: 0.16936716975811728
Energy: 0.32450177689504534
Energy: 0.2822624919325984
Energy: 0.41585199656985794
Energy: 0.2888340691303458
Energy: 0.42543267564576037
Energy: 1.4189824688605024
Energy: 0.4901451180952298
Energy: 0.30866688220916316
Energy: 0.4511127339730733

minimum gb energy = 0.16936716975811728 eV
minimum distance =  2.40714270297881 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.5002559447580774
Energy: 1.287186755761716
Energy: 1.3288715838677845
Energy: 1.2574391800406435
Energy: 0.9746793432205372
Energy: 0.969598216014508
Energy: 1.3201492967710489
Energy: 0.9695982160192844
Energy: 0.965862698655412
Energy: 0.9730786580777074
Energy: 1.441579469983237
Energy: 0.9730786580752917
Energy: 0.972445863326891
Energy: 0.9683582504737505
Energy: 1.3841949723110687
Energy: 0.9683582504701268
Energy: 0.9725795996059581
Energy: 0.9752670744218672
Energy: 1.2296228536488996
Energy: 0.9752670744218672
Energy: 1.1065370463140063
Energy: 1.0835058532241504
Energy: 1.381642442084852
Energy: 1.0835058532241504
Energy: 1.119253875584572
Energy: 1.083632488205209
Energy: 1.369705918384986
Energy: 1.0836324882027935
Energy: 1.1202504720034958
Energy: 1.0804706610701929
Energy: 1.3308547890750657
Energy: 1.0804706610689851
Energy: 1.1221535699144962
Energy: 1.0685658366132453
Energy: 1.1821461951920718
Energy: 1.0685658366120374
Energy: 1.426840140597006
Energy: 1.0951825793918508
Energy: 1.1705907213860305
Energy: 1.0961259113647672
Energy: 1.2087819742295232
Energy: 1.056353203671947
Energy: 1.2344085349665646
Energy: 1.056353203671947
Energy: 1.254960662923568
Energy: 1.1009705705683848
Energy: 1.4766230137148688
Energy: 1.1009705705502673
Energy: 1.1362875672189827
Energy: 1.1763192011433319
Energy: 1.4623276386803543
Energy: 1.1763192011433319
Energy: 1.1630541254117588
Energy: 1.0805210019348188
Energy: 1.1151976571638835
Energy: 1.0805210019360267
Energy: 1.3688746889665515
Energy: 1.0824261045118768
Energy: 1.1209004019478737
Energy: 1.0824261045094612
Energy: 1.3458050164303281
Energy: 1.0831902152037254
Energy: 1.1211438928210087
Energy: 1.0831902152013646
Energy: 1.2471054365483558
Energy: 1.02877735836138
Energy: 1.1237553894200347
Energy: 1.0287788057393812
Energy: 1.439644851906853
Energy: 0.9718324828210028
Energy: 0.9604891412786183
Energy: 0.9718324828222106
Energy: 1.4463110605708365
Energy: 0.9740109266222183
Energy: 0.9730921468737399
Energy: 0.974010926623426
Energy: 1.2231201784213261
Energy: 0.9631726205328356
Energy: 0.9778064655291046
Energy: 0.9631726205352513
Energy: 1.3152093674580936
Energy: 1.1059305151741499
Energy: 1.398084696106681
Energy: 1.1059305150558367
Energy: 1.3982420643042046
Energy: 1.3408719185743334
Energy: 1.30325145053955
Energy: 1.3408719187361282
Energy: 1.4416996808428324
Energy: 0.9722576116610758
Energy: 1.000621447075788
Energy: 0.9722576116598679
Energy: 1.5143766547686308
Energy: 1.0030929556633745
Energy: 0.9705705860686841
Energy: 1.0030929556621666
Energy: 1.4969184039413796
Energy: 1.0002683353158106
Energy: 0.969550490103323
Energy: 1.0002683353158106
Energy: 1.2658972313748278
Energy: 1.1311219766155334
Energy: 0.9321900332203603
Energy: 1.131121976617949
Energy: 1.2625389718333406
Energy: 1.133472570404748
Energy: 1.2670650224748918
Energy: 1.133472570404748
Energy: 1.253161891463641
Energy: 1.1312820568405118
Energy: 1.2634884833917046
Energy: 1.1312820568417197
Energy: 0.995456832263484
Energy: 1.1316137987673192
Energy: 1.1172658979148837
Energy: 1.1316137987685269
Energy: 0.9995391882410816
Energy: 1.0019830369036433
Energy: 1.450775617856146
Energy: 1.0019830369060587
Energy: 0.9979596948329469
Energy: 1.0011271256921384
Energy: 1.434055233325184
Energy: 1.0011271256921384
Energy: 1.000314434281407
Energy: 0.9740626387168012
Energy: 1.3919829352875737
Energy: 0.974062638718009
Energy: 1.1646556705424733
Energy: 1.3183404709518163
Energy: 1.3997181376859236
Energy: 1.3183404709687256

minimum gb energy = 0.9321900332203603 eV
minimum distance =  2.33946771838972 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.4469707129359428
Energy: 0.9117177217663532
Energy: 0.8378658016295465
Energy: 0.588423643367165
Energy: 0.9614505141011973
Energy: 0.7973056971333164
Energy: 0.9788787826972398
Energy: 0.7973108984433203
Energy: 0.9373341559774635
Energy: 0.92214100683543
Energy: 1.1403825354036174
Energy: 0.9221410066351401
Energy: 0.9740540791419859
Energy: 0.9022109559724851
Energy: 1.0859079148473798
Energy: 0.9022109653154838
Energy: 0.8831076167949597
Energy: 0.8711261449009232
Energy: 1.1446323504764315
Energy: 0.8711249024056349
Energy: 0.9659588443408514
Energy: 0.9130910785021596
Energy: 1.1500778621913266
Energy: 0.9130910668071095
Energy: 0.8646867128469611
Energy: 0.8684823720088621
Energy: 1.191779805110247
Energy: 0.7555502048739938
Energy: 0.9493176345850902
Energy: 0.8608627097933201
Energy: 0.9020133687294886
Energy: 0.8904021156805464
Energy: 0.9324460206814331
Energy: 0.841641939565407
Energy: 0.9752118313735328
Energy: 0.8416419395971377
Energy: 1.2312998494705427
Energy: 0.916379394640592
Energy: 0.9157381917748229
Energy: 0.8459891310455
Energy: 1.0094124883735172
Energy: 0.8567166787929213
Energy: 0.9783653980692445
Energy: 0.8567166787929213
Energy: 0.9034198595623031
Energy: 0.722321780635765
Energy: 1.243574818374704
Energy: 0.8487413578360129
Energy: 0.92687636765522
Energy: 0.9203997107971721
Energy: 1.215736628580705
Energy: 0.9203997523541934
Energy: 0.9731016147248266
Energy: 0.6452378365770282
Energy: 0.9576786674777842
Energy: 0.7143507029424095
Energy: 1.0275586873375548
Energy: 0.9336764329222305
Energy: 0.8941283938356136
Energy: 0.9336764329138801
Energy: 1.0030449954827745
Energy: 0.9015554244986518
Energy: 0.9350038265575522
Energy: 0.9015554192587719
Energy: 1.1513315681431786
Energy: 1.0562720257264822
Energy: 0.9732455029369874
Energy: 1.0562720257298224
Energy: 1.171740074750119
Energy: 0.8632449635952806
Energy: 0.9860858573338769
Energy: 0.8293069874554349
Energy: 1.2633366021741563
Energy: 0.9323608093269622
Energy: 0.8107884502028763
Energy: 0.9323608093252922
Energy: 0.9777108957936873
Energy: 0.9198179408178574
Energy: 0.896841495625916
Energy: 0.9198179405925169
Energy: 0.973308266807642
Energy: 0.8116490000106882
Energy: 1.2002530985531912
Energy: 0.8123608579131645
Energy: 0.7253176933595362
Energy: 0.9317212136633021
Energy: 1.2035364426638449
Energy: 0.8321383286955252
Energy: 1.0073377037282947
Energy: 0.773262551035133
Energy: 0.9766929807279605
Energy: 0.7679665840765412
Energy: 1.2409400890089712
Energy: 0.9400664912897334
Energy: 0.9721732107509545
Energy: 0.9400664912914034

minimum gb energy = 0.588423643367165 eV
minimum distance =  2.35160206256743 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4353855000637277
Energy: 1.3699620005934654
Energy: 1.3597162303248038
Energy: 1.2643926976008721
Energy: 0.9019456914607709
Energy: 0.9097552061370138
Energy: 1.1131156860365201
Energy: 0.9097552061349493
Energy: 0.9054801247812799
Energy: 0.9117513557025206
Energy: 1.2359528109860194
Energy: 0.9117513557025206
Energy: 0.910491280514456
Energy: 0.9129444435492639
Energy: 1.3885677857718781
Energy: 0.9129444435482317
Energy: 0.910476207947262
Energy: 0.9119782923561569
Energy: 1.121115781903326
Energy: 0.911978292357189
Energy: 1.2098754134681606
Energy: 1.1032960146281705
Energy: 1.2089571280337226
Energy: 1.1032960146292026
Energy: 1.2144706839103543
Energy: 1.1031481652264439
Energy: 1.21090964295356
Energy: 1.1031481652254116
Energy: 1.209210316677681
Energy: 1.10379543263217
Energy: 1.2076349055509514
Energy: 1.1037954326332022
Energy: 1.1122379568208547
Energy: 0.9121165541657478
Energy: 0.8903788900242889
Energy: 0.9121165541698765
Energy: 1.3407821127552921
Energy: 0.9250096236997853
Energy: 0.9073232723705673
Energy: 0.9250096237008176
Energy: 1.1125312304644488
Energy: 0.9113961961923299
Energy: 0.9042063046431015
Energy: 0.9113961961923299
Energy: 1.2954192334505055
Energy: 0.9771950068595886
Energy: 1.1020616479378245
Energy: 0.977195006861653
Energy: 1.4167047544588418
Energy: 1.2661455510444057
Energy: 1.101763497400555
Energy: 1.266145551041309
Energy: 1.1187634881928483
Energy: 0.9097809141127611
Energy: 0.9025190474716849
Energy: 0.9097809141127611
Energy: 1.3737732219437526
Energy: 0.9582221381469698
Energy: 0.9491755549998271
Energy: 0.9582221381449053
Energy: 1.1684737276390373
Energy: 0.9097390882926
Energy: 0.9694871853207553
Energy: 0.9097390882967289
Energy: 1.1189025722451937
Energy: 1.0703673229358233
Energy: 0.9003076517915886
Energy: 1.0703673229389197
Energy: 1.1228993184282847
Energy: 1.071348657766596
Energy: 1.2802740736056257
Energy: 1.0713486577676286
Energy: 1.1221792703888867
Energy: 1.064332423977448
Energy: 1.283623952264409
Energy: 1.0643324239857057
Energy: 1.0186087173928926
Energy: 1.0581075961102067
Energy: 1.173105258276925
Energy: 1.0581075960524027
Energy: 1.022532429139913
Energy: 1.0060730176917152
Energy: 1.3554165392058206
Energy: 1.006073017690683
Energy: 1.018106622676813
Energy: 1.0068743447990922
Energy: 1.3546798928739463
Energy: 1.0068743448021888
Energy: 1.01652281128513
Energy: 1.0117339855389391
Energy: 0.9986970673458627
Energy: 1.0117339855389391
Energy: 1.2620478176856684
Energy: 1.1682210028585227
Energy: 1.1723862753492889
Energy: 1.1682210028585227
Energy: 1.1122910482780273
Energy: 0.941221892976631
Energy: 1.1081439740188126
Energy: 0.9412218929900497
Energy: 0.9884377269579872
Energy: 0.9456392509485033
Energy: 1.0163103145924792
Energy: 0.9456392509474711
Energy: 1.227282792700685
Energy: 1.168212019566303
Energy: 1.152607782027663
Energy: 1.168212019564239
Energy: 1.0744828989950066
Energy: 1.0075769726395265
Energy: 1.0658247413051158
Energy: 1.0075769726384942
Energy: 1.1957715660339736
Energy: 1.007607429244243
Energy: 1.0177020313708927
Energy: 1.007607429244243
Energy: 1.3102073705863935
Energy: 1.0093487682984226
Energy: 1.0203750495145818
Energy: 1.0093487682973905
Energy: 1.2001122255836398
Energy: 1.0090277489297677
Energy: 1.0200081878239953
Energy: 1.009027748927703
Energy: 1.2794263441428233
Energy: 1.070068447334744
Energy: 1.1196066573210217
Energy: 1.0700684473368083
Energy: 1.2785904964053412
Energy: 1.071615369621068
Energy: 1.1212094375996624
Energy: 1.0716153696221002
Energy: 1.2798385149009333
Energy: 1.0690011297441022
Energy: 1.1192050212690599
Energy: 1.0690011297410056
Energy: 0.8894758127533748
Energy: 0.9091732368449683
Energy: 1.1167241206126286
Energy: 0.9091732368470328
Energy: 0.9555598133407727
Energy: 0.9636822562376461
Energy: 1.2656052217312364
Energy: 0.9636822562376461
Energy: 0.9059568038395037
Energy: 0.9088037839985712
Energy: 1.1185036218165971
Energy: 0.908803783997539
Energy: 1.058919289430528
Energy: 0.9503375250169203
Energy: 1.2812046025585995
Energy: 0.9503375250189847

minimum gb energy = 0.8894758127533748 eV
minimum distance =  2.38717323151443 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.7419813653405034
Energy: 0.9362569288154569
Energy: 0.9449785966359978
Energy: 0.7659306399045227
Energy: 0.4734741520370301
Energy: 0.4315491850951288
Energy: 0.5426149538736188
Energy: 0.2415160953800692
Energy: 0.4874483066815413
Energy: 0.6315255703165621
Energy: 0.9554549525022459
Energy: 0.3471897455145129
Energy: 0.7077922804611961
Energy: 0.4182995324258904
Energy: 1.0733027539306497
Energy: 0.7292730338119403
Energy: 0.56832238923989
Energy: 0.6733056783575777
Energy: 0.7149405748107079
Energy: 0.5861033751871345
Energy: 0.6780152664842272
Energy: 0.6366287384170869
Energy: 0.7021050969304037
Energy: 0.674630974638548
Energy: 0.6784880709651886
Energy: 0.8669631481882093
Energy: 0.5438435707063825
Energy: 0.8668847960811151
Energy: 0.7691467594665109
Energy: 0.8077866356992832
Energy: 0.5973435906928191
Energy: 0.7459566432405049
Energy: 0.6340171948793881
Energy: 0.37523924440350737
Energy: 0.5055165764732338
Energy: 0.5077032873894098
Energy: 0.42749352182940475
Energy: 0.30707268470348026
Energy: 0.7455964426835746
Energy: 0.7309576555016597
Energy: 0.502904311237641
Energy: 0.5345634732862211
Energy: 0.39676275066785066
Energy: 0.34481773592722975
Energy: 0.6589140206764766
Energy: 0.2855077503649746
Energy: 0.4700726307630482
Energy: 0.3543643761479164
Energy: 0.9465631271516466
Energy: 0.9352093844970439
Energy: 0.5080309943062463
Energy: 0.8194561463299956
Energy: 0.4660949869770752
Energy: 0.6558858076076503
Energy: 0.4140096837675839
Energy: 0.63769144239107
Energy: 0.5046458072230203
Energy: 0.7134257431083456
Energy: 0.6387073370837957
Energy: 0.6419425930615452

minimum gb energy = 0.2415160953800692 eV
minimum distance =  2.37055113368103 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.7823728574696562
Energy: 1.0424401320584518
Energy: 1.0307949771460905
Energy: 0.7538676270423467
Energy: 0.8153720117164873
Energy: 0.8478728014833272
Energy: 0.814176609100298
Energy: 0.8478728014878552
Energy: 0.8213532538727842
Energy: 0.8495578030073979
Energy: 0.7258327463737938
Energy: 0.84955780300853
Energy: 0.8269001025978734
Energy: 0.845827229358624
Energy: 0.7463904256947086
Energy: 0.845827229358624
Energy: 0.8203764897956806
Energy: 0.9523598469834333
Energy: 0.9842261526165886
Energy: 0.9523598469845653
Energy: 0.8960556572132008
Energy: 0.9669235090197017
Energy: 0.993627135964031
Energy: 0.9669235090197017
Energy: 0.8950611522773776
Energy: 0.9666232134845478
Energy: 0.9851392614843764
Energy: 0.9666232134845478
Energy: 1.0582397144930622
Energy: 0.9677337620313138
Energy: 0.9991442746557836
Energy: 0.9677337620324458
Energy: 0.8953541514278512
Energy: 0.96700650190567
Energy: 0.987638221869257
Energy: 0.96700650190567
Energy: 0.8925426603101128
Energy: 0.9690719482793706
Energy: 0.9837337876293849
Energy: 0.9690719482793706
Energy: 0.8207760893093674
Energy: 0.9659425367637645
Energy: 0.9863889688125241
Energy: 0.9659425367660285
Energy: 0.8317886897579979
Energy: 0.8502950047501882
Energy: 0.8194279768076943
Energy: 0.8502950047513201
Energy: 0.8273196738158024
Energy: 0.8496192354183624
Energy: 0.8147735312389436
Energy: 0.8496192354183624
Energy: 0.8157722925013527
Energy: 0.817790405176202
Energy: 0.8049399452585674
Energy: 0.8177904051750701
Energy: 0.8342081013225363
Energy: 0.8422284672941608
Energy: 0.8261214628439946
Energy: 0.8422284672952928
Energy: 0.834643535897302
Energy: 0.844471906191601
Energy: 0.8271692018081179
Energy: 0.844471906191601
Energy: 0.8159214508826016
Energy: 0.8252874524660578
Energy: 0.8140762774193853
Energy: 0.8252874524649257
Energy: 0.8150763954954823
Energy: 0.8429490559960175
Energy: 0.7720644326106201
Energy: 0.8429490559948855
Energy: 0.8301583716848376
Energy: 0.848838084803666
Energy: 0.8754758480443003
Energy: 0.8488380848025339
Energy: 0.8158356142374338
Energy: 0.8444896859197427
Energy: 0.8188140371146284
Energy: 0.8444896859220068
Energy: 0.7429259745849498
Energy: 0.8425953350863996
Energy: 0.8302273808002354
Energy: 0.8425953350863996
Energy: 0.8180892702458274
Energy: 0.8411652668718577
Energy: 0.8320627192474873
Energy: 0.8411652668718577
Energy: 0.9939677862826544
Energy: 0.9682165729898295
Energy: 0.8933070581737401
Energy: 0.9682165729898295
Energy: 0.9884795196986509
Energy: 0.9674154007568492
Energy: 1.0403899176010427
Energy: 0.9674154007579812
Energy: 0.9968986573817992
Energy: 0.9669648110557585
Energy: 1.058252839778661
Energy: 0.9669648110546266
Energy: 0.9850974816779589
Energy: 0.9659959861396823
Energy: 0.8968581293011499
Energy: 0.9659959861362861
Energy: 0.9869928563145393
Energy: 0.9691587646648657
Energy: 0.8747520723322071
Energy: 0.9691587646648657
Energy: 0.9858887240817797
Energy: 0.9657320726840493
Energy: 0.8197337894569827
Energy: 0.9657320726840493
Energy: 0.8123233609219744
Energy: 0.8469538701561959
Energy: 0.831399841299195
Energy: 0.8469538701561959
Energy: 0.8761553008503566
Energy: 0.8449564615782473
Energy: 0.8221165785147453
Energy: 0.8449564615793794
Energy: 0.8075702323605456
Energy: 0.826726816232099
Energy: 0.816222819233186
Energy: 0.8267268162332311
Energy: 0.8265357134254377
Energy: 0.8453522691941472
Energy: 0.836072410961018
Energy: 0.8453522691941472
Energy: 0.8254588087217336
Energy: 0.8175273888429531
Energy: 0.8349911327296508
Energy: 0.8175273888440852
Energy: 0.8155635814899559
Energy: 0.7999062496972541
Energy: 0.8158573866632663
Energy: 0.7999062496972541
Energy: 0.9140125024892218
Energy: 0.8455495725734139
Energy: 0.8184148975920207
Energy: 0.8455495725744945

minimum gb energy = 0.7258327463737938 eV
minimum distance =  2.34647065467537 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.5884494593026001
Energy: 0.9341361740644821
Energy: 0.8741447013589513
Energy: 0.6822825134313824
Energy: 0.7311634892032526
Energy: 0.7889499939681304
Energy: 0.7681700265748648
Energy: 0.7889499913412484
Energy: 0.7874903808728699
Energy: 0.7637333595793424
Energy: 0.64670252662347
Energy: 0.7637341033773413
Energy: 0.7522612488274909
Energy: 0.7652343023334252
Energy: 0.685434678336931
Energy: 0.7652810320906533
Energy: 0.7849763097336281
Energy: 0.8027467427762546
Energy: 0.8508696742351831
Energy: 0.8027462109506162
Energy: 0.7226056465252938
Energy: 0.7583338373542468
Energy: 0.8119356461478276
Energy: 0.7329084578359013
Energy: 0.8390817466666507
Energy: 0.8095707421790203
Energy: 0.7308426426925997
Energy: 0.8095708470549825
Energy: 0.8001296789056848
Energy: 0.8420498751875436
Energy: 0.8098002077010995
Energy: 0.8420498798269579
Energy: 0.7348260956678202
Energy: 0.7872180825672592
Energy: 0.7732255270033449
Energy: 0.7741061910400531
Energy: 0.8017802474598611
Energy: 0.8007693097277275
Energy: 0.7680053255991032
Energy: 0.8007697889493319
Energy: 0.7167596186224467
Energy: 0.8124458016142279
Energy: 0.7754673092931227
Energy: 0.7764850203881485
Energy: 0.8530986047586472
Energy: 0.7353541166818564
Energy: 0.6750780749143068
Energy: 0.7835776995794437
Energy: 0.8058901436632636
Energy: 0.7905126963726561
Energy: 0.7553943526946577
Energy: 0.7905133207504148
Energy: 0.8068828174129471
Energy: 0.7184465980518683
Energy: 0.7674152435519601
Energy: 0.6812816037596321
Energy: 0.7319083976873659
Energy: 0.7714468954602303
Energy: 0.7622018398464385
Energy: 0.77145179795895
Energy: 0.7717291406479937
Energy: 0.7680125553599757
Energy: 0.7915921830001885
Energy: 0.768012125815132
Energy: 0.7565169998375206
Energy: 0.8582474650560808
Energy: 0.7093091177116909
Energy: 0.8582474650584045
Energy: 0.932554258865859
Energy: 0.7855724750260664
Energy: 0.6650651983959984
Energy: 0.7855724749110266
Energy: 0.761990101127129
Energy: 0.7975816570627475
Energy: 0.6838071878320784
Energy: 0.7975816570619728
Energy: 0.7686073016141319
Energy: 0.7836098173979646
Energy: 0.7507406516282887
Energy: 0.7836098175706571

minimum gb energy = 0.5884494593026001 eV
minimum distance =  2.33960375891615 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.5535729992641364
Energy: 0.8821750318426826
Energy: 0.8626030661114472
Energy: 0.6264212312582519
Energy: 0.693227522947065
Energy: 0.711817951868267
Energy: 0.6937355114883992
Energy: 0.7118179518743503
Energy: 0.6909774212471215
Energy: 0.6920122397515451
Energy: 0.6785018426277096
Energy: 0.6920122451495265
Energy: 0.6869058616659693
Energy: 0.7030769064644586
Energy: 0.6343320173138973
Energy: 0.7030769064644586
Energy: 0.7624455948665626
Energy: 0.792418528832579
Energy: 0.7703113419617031
Energy: 0.7924185288295374
Energy: 0.7670921704916005
Energy: 0.8046579347445139
Energy: 0.7801208669502252
Energy: 0.8046579347460346
Energy: 0.698824533740114
Energy: 0.8054129564176721
Energy: 0.7794315469782633
Energy: 0.8054129564161512
Energy: 0.8220397037975415
Energy: 0.8125093129047696
Energy: 0.7978890423150952
Energy: 0.8125093129032487
Energy: 0.8202252602565813
Energy: 0.8224479881340229
Energy: 0.785386555809858
Energy: 0.8224479881340229
Energy: 0.7973916262570112
Energy: 0.8231667154698504
Energy: 0.8592990147279409
Energy: 0.8231667154713712
Energy: 0.7845751919491203
Energy: 0.8375352765630747
Energy: 0.8694360602498327
Energy: 0.8375352759078857
Energy: 0.8563128147630745
Energy: 0.8371030344076589
Energy: 0.8450093640405221
Energy: 0.8371030344091797
Energy: 0.8457628858688587
Energy: 0.8351663802854243
Energy: 0.8544588999271612
Energy: 0.8351663802854243
Energy: 0.8682473067810503
Energy: 0.8185736381560902
Energy: 0.8402599770621197
Energy: 0.8185736381560902
Energy: 0.7881230995752296
Energy: 0.8228308415047996
Energy: 0.8161889429834698
Energy: 0.8228308415047996
Energy: 0.7821025017324157
Energy: 0.8212250866718583
Energy: 0.803867664608355
Energy: 0.8212250866703373
Energy: 0.7841222945283404
Energy: 0.8003806942776448
Energy: 0.822351261601305
Energy: 0.800380694276124
Energy: 0.7805672468323772
Energy: 0.8064620914978231
Energy: 0.7669813470857839
Energy: 0.8064620914978231
Energy: 0.7488689460913879
Energy: 0.8047017971782834
Energy: 0.8221238587912031
Energy: 0.8047017971782834
Energy: 0.7765120682968222
Energy: 0.7089485995382621
Energy: 0.6830039171127926
Energy: 0.7089485995413036
Energy: 0.6194689928146008
Energy: 0.7104814074909577
Energy: 0.7017752733815714
Energy: 0.7104814074894369
Energy: 0.7510440592522025
Energy: 0.7231530868273013
Energy: 0.6888565808620339
Energy: 0.7231530868273013
Energy: 0.6883041518224206
Energy: 0.704790962819968
Energy: 0.7269835109752971
Energy: 0.7047909627576151
Energy: 0.7019231280913519
Energy: 0.7087516950320254
Energy: 0.5163190593690862
Energy: 0.708751695035067
Energy: 0.6787396028957965
Energy: 0.6950654739968302
Energy: 0.6844768189371275
Energy: 0.6950654739831774
Energy: 0.637724993172572
Energy: 0.6983528520661326
Energy: 0.700772160398422
Energy: 0.6983528520646118

minimum gb energy = 0.5163190593690862 eV
minimum distance =  2.34081673934893 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.5192967538590314
Energy: 0.8453594379708831
Energy: 0.7777054214047096
Energy: 0.5869140538142799
Energy: 0.6275534259544255
Energy: 0.7381530734372214
Energy: 0.6431200846407061
Energy: 0.7381530734197944
Energy: 0.650209908929467
Energy: 0.6709502565800503
Energy: 0.7169332351428253
Energy: 0.6709502565775567
Energy: 0.6502300782005412
Energy: 0.6713495543931614
Energy: 0.5963536540709897
Energy: 0.6713495543931614
Energy: 0.7202750133222438
Energy: 0.7173345329708678
Energy: 0.6957052001082386
Energy: 0.7173345329746084
Energy: 0.7052519043714142
Energy: 0.7293100640743185
Energy: 0.7209101894509932
Energy: 0.7293100640755655
Energy: 0.6436541834285787
Energy: 0.7312307158906838
Energy: 0.7248668280098334
Energy: 0.7312307158881901
Energy: 0.7570556178430563
Energy: 0.7507843526750684
Energy: 0.758675228085056
Energy: 0.7507843526750684
Energy: 0.7690383640477302
Energy: 0.7560572114660526
Energy: 0.8033241279569657
Energy: 0.7560572114648058
Energy: 0.7659300649745022
Energy: 0.7566474095691526
Energy: 0.8035231544311351
Energy: 0.7566474095679059
Energy: 0.7983351562530399
Energy: 0.7722925336295928
Energy: 0.7933461717466349
Energy: 0.7722925336295928
Energy: 0.7998251216238557
Energy: 0.7798781743651052
Energy: 0.7980595356756448
Energy: 0.7798781743613648
Energy: 0.8132373165975159
Energy: 0.7772658182745861
Energy: 0.7963874027796889
Energy: 0.7772658182733393
Energy: 0.8183439124233161
Energy: 0.7791211368879688
Energy: 0.8335932327753232
Energy: 0.7791211368879688
Energy: 0.8051383233587588
Energy: 0.7931701940528978
Energy: 0.8039028493855431
Energy: 0.7931701940504042
Energy: 0.821009286957703
Energy: 0.7869145475304433
Energy: 0.8215764420343045
Energy: 0.7869145475316901
Energy: 0.7952164315204744
Energy: 0.7727888774151718
Energy: 0.8169791749016033
Energy: 0.7727888774189123
Energy: 0.7839078072226796
Energy: 0.7821813977243055
Energy: 0.7564146051362037
Energy: 0.7821813977255523
Energy: 0.7991168766466944
Energy: 0.7750585944466684
Energy: 0.8221100619399443
Energy: 0.7750585944466684
Energy: 0.7848196242410242
Energy: 0.7531567362900264
Energy: 0.7749858933168237
Energy: 0.7531567362887798
Energy: 0.7009011171059828
Energy: 0.7587306488910956
Energy: 0.7665653579196329
Energy: 0.7587306488873551
Energy: 0.7222104553066307
Energy: 0.7480745792370231
Energy: 0.7616124152416741
Energy: 0.7480745792382698
Energy: 0.7284698805732962
Energy: 0.7291291086088195
Energy: 0.7499904466142978
Energy: 0.7291291086125598
Energy: 0.72531356700682
Energy: 0.7310262503262461
Energy: 0.6510743300758264
Energy: 0.7310262503262461
Energy: 0.7140306739198825
Energy: 0.7246254635802823
Energy: 0.7530540431102816
Energy: 0.7246254635777888
Energy: 0.7182674429571427
Energy: 0.6695178313655356
Energy: 0.6559625689298929
Energy: 0.6695178313630418
Energy: 0.575821766695938
Energy: 0.6702944681343139
Energy: 0.6595668893353531
Energy: 0.6702944681355607
Energy: 0.697688602822496
Energy: 0.7425988867906332
Energy: 0.6263262719965587
Energy: 0.7425988867906332
Energy: 0.6553138974677453
Energy: 0.6686878741206691
Energy: 0.5179824035184265
Energy: 0.668687874115682
Energy: 0.6504313838770539
Energy: 0.67019774912042
Energy: 0.6166930440175461
Energy: 0.6701977491179263
Energy: 0.6262764712556375
Energy: 0.6698257237846309
Energy: 0.6206708155848729
Energy: 0.6698257237833841
Energy: 0.4940761548761819
Energy: 0.6708477174660085
Energy: 0.6582900441848212
Energy: 0.670847717468502

minimum gb energy = 0.4940761548761819 eV
minimum distance =  2.32221398469966 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.5290590813531342
Energy: 0.7648025491972387
Energy: 0.7845364780582065
Energy: 0.5461159857172928
Energy: 0.5754597410404704
Energy: 0.6655973585761837
Energy: 0.6562837635443781
Energy: 0.6655973585761837
Energy: 0.6028125409251068
Energy: 0.61178339063964
Energy: 0.6615901584349936
Energy: 0.6117833906375275
Energy: 0.6253981239230931
Energy: 0.6128635245417424
Energy: 0.5616998186429413
Energy: 0.6128635245470236
Energy: 0.6524422662378937
Energy: 0.6600657697190486
Energy: 0.6552863860135434
Energy: 0.660065769725386
Energy: 0.7005568199353284
Energy: 0.6662193128996005
Energy: 0.6649353208759281
Energy: 0.6662193128974879
Energy: 0.6302870289827259
Energy: 0.66708153275039
Energy: 0.671375191687573
Energy: 0.6670815327493337
Energy: 0.6951936911511626
Energy: 0.6928906199351949
Energy: 0.7359670856680479
Energy: 0.6928906199373074
Energy: 0.7099670598297659
Energy: 0.693455568986996
Energy: 0.6561175479855199
Energy: 0.6934555689880523
Energy: 0.7147517127277812
Energy: 0.6941368985459209
Energy: 0.7460814653531201
Energy: 0.6941368985448647
Energy: 0.73761734674205
Energy: 0.7109917968866595
Energy: 0.7328362089848934
Energy: 0.7109917968834909
Energy: 0.6975274167208361
Energy: 0.7169972945103229
Energy: 0.738545016968665
Energy: 0.7169972945071541
Energy: 0.7395546706911964
Energy: 0.7161261230643664
Energy: 0.7348933473587801
Energy: 0.7161261230590853
Energy: 0.7537177925105661
Energy: 0.7270566685875484
Energy: 0.7672548532239977
Energy: 0.727056668585436
Energy: 0.7567934445290858
Energy: 0.7375060798348216
Energy: 0.7362333881781323
Energy: 0.737506079836934
Energy: 0.7645961556299516
Energy: 0.7311508721141774
Energy: 0.7582524406175403
Energy: 0.7311508721162898
Energy: 0.7700151763922534
Energy: 0.7347493998332821
Energy: 0.7721653627105868
Energy: 0.7347493998385631
Energy: 0.7627680060484027
Energy: 0.7448200420422343
Energy: 0.765428864885208
Energy: 0.7448200420411781
Energy: 0.7715031182401355
Energy: 0.7354600580805184
Energy: 0.7628681242369957
Energy: 0.7354600580773497
Energy: 0.7605017719211509
Energy: 0.7299373141906844
Energy: 0.7636762726575503
Energy: 0.7299373141854033
Energy: 0.7350163966907127
Energy: 0.7373669361735571
Energy: 0.7553772976728208
Energy: 0.7373669361915128
Energy: 0.767487759994413
Energy: 0.7288379031809102
Energy: 0.7595176139782298
Energy: 0.7288379031819664
Energy: 0.7375481019133966
Energy: 0.7151490104127908
Energy: 0.7412339588070646
Energy: 0.715149010428634
Energy: 0.7358493784409887
Energy: 0.7180080204161284
Energy: 0.7167981750180575
Energy: 0.7180080204224657
Energy: 0.7318277018413184
Energy: 0.7105192558169965
Energy: 0.7656564708296152
Energy: 0.7105192558380728
Energy: 0.7196287614678205
Energy: 0.6937764199606384
Energy: 0.7139085642111086
Energy: 0.6937764199595823
Energy: 0.6663704055394107
Energy: 0.6937204225231056
Energy: 0.7107158764854329
Energy: 0.6937204225199369
Energy: 0.7334620260356327
Energy: 0.6889746027090299
Energy: 0.6971541833445891
Energy: 0.6889746027058612
Energy: 0.6713926918866238
Energy: 0.6673960637589625
Energy: 0.6458388918140596
Energy: 0.6673960637589625
Energy: 0.6650546833709938
Energy: 0.6664330599736558
Energy: 0.6610435201617738
Energy: 0.6664330599757682
Energy: 0.6552596472700108
Energy: 0.6992165192432838
Energy: 0.6957937230204301
Energy: 0.6992165192316654
Energy: 0.5798564445401412
Energy: 0.6120599294458384
Energy: 0.6207226116645458
Energy: 0.6120599294437259
Energy: 0.670134454679303
Energy: 0.61223820418565
Energy: 0.6032847347060166
Energy: 0.6122382041803689
Energy: 0.6572763915537199
Energy: 0.6677033673810087
Energy: 0.5760120966669886
Energy: 0.6677033673767838
Energy: 0.7464153164688622
Energy: 0.7294417729599435
Energy: 0.49350037311483785
Energy: 0.7294417729567749
Energy: 0.6024171910423339
Energy: 0.6115224095986933
Energy: 0.6177196808678603
Energy: 0.6115224095997496
Energy: 0.626695764615402
Energy: 0.6116112473211971
Energy: 0.6031169817399337
Energy: 0.6116112473190847

minimum gb energy = 0.49350037311483785 eV
minimum distance =  2.32671488101589 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.36851368958160463
Energy: 0.5614619659289127
Energy: 0.5818153385875622
Energy: 0.3948400258094993
Energy: 0.4593392782396231
Energy: 0.5332574507424663
Energy: 0.5229697845206189
Energy: 0.5332574507433824
Energy: 0.45815392930481613
Energy: 0.4625660539806574
Energy: 0.5336841981572792
Energy: 0.4625660539815735
Energy: 0.4616883739579788
Energy: 0.45818647070877416
Energy: 0.4729273519301686
Energy: 0.4581864707106063
Energy: 0.5822276072859525
Energy: 0.5345310902302788
Energy: 0.5216318108570424
Energy: 0.5345310902284466
Energy: 0.5563947482944392
Energy: 0.5520789055962234
Energy: 0.5246005448828843
Energy: 0.5520789055962234
Energy: 0.48285495048798627
Energy: 0.553799059839541
Energy: 0.5254940977334537
Energy: 0.553799059840457
Energy: 0.565845749101954
Energy: 0.5696810915112723
Energy: 0.6165966091982336
Energy: 0.5696810915103772
Energy: 0.5789477257805753
Energy: 0.5855413238433975
Energy: 0.5815497661697944
Energy: 0.5855413238433975
Energy: 0.568064754529948
Energy: 0.585929380152579
Energy: 0.5972442035380797
Energy: 0.585929380152579
Energy: 0.6523339207388416
Energy: 0.6048409074297847
Energy: 0.6131055621215366
Energy: 0.6048409074307007
Energy: 0.5836540604639306
Energy: 0.6165202543011674
Energy: 0.6235579622796885
Energy: 0.6165202542993352
Energy: 0.6332779459749132
Energy: 0.613802151234145
Energy: 0.6301631840216241
Energy: 0.6138021512332291
Energy: 0.6431794641862854
Energy: 0.6251179272818023
Energy: 0.6385910939932982
Energy: 0.6251179272808862
Energy: 0.6394529240565946
Energy: 0.6361091431921578
Energy: 0.6092065997025964
Energy: 0.6361091431976335
Energy: 0.6696802210936232
Energy: 0.6297482579463987
Energy: 0.6357668827586844
Energy: 0.6297482579482307
Energy: 0.6547194203522111
Energy: 0.6376322890656856
Energy: 0.6578896247958411
Energy: 0.6376322890656856
Energy: 0.6511223616482836
Energy: 0.6459440556717873
Energy: 0.64771388424266
Energy: 0.6459440556726824
Energy: 0.647943807973106
Energy: 0.6372906960557712
Energy: 0.6772488957021937
Energy: 0.6372906960557712
Energy: 0.6484705414737347
Energy: 0.6431035196386774
Energy: 0.6577323575386699
Energy: 0.6431035196414048
Energy: 0.6608050526064763
Energy: 0.6515087766823842
Energy: 0.6608706171355947
Energy: 0.6515087766851323
Energy: 0.6777575820359723
Energy: 0.6364945806672222
Energy: 0.6628231825788828
Energy: 0.6364945806672222
Energy: 0.6660710265493627
Energy: 0.6410054742569401
Energy: 0.6442405701592891
Energy: 0.6410054742578563
Energy: 0.6519884806254989
Energy: 0.6458220701675895
Energy: 0.6422262428462125
Energy: 0.6458220701694216
Energy: 0.6577183028787117
Energy: 0.6300393279217622
Energy: 0.6743913418672658
Energy: 0.6300393279208462
Energy: 0.6328110144463179
Energy: 0.6334348178820093
Energy: 0.6431936384327461
Energy: 0.6334348178829253
Energy: 0.6428409474979152
Energy: 0.6339805799295053
Energy: 0.6373234126513065
Energy: 0.6339805799295053
Energy: 0.6577831581369606
Energy: 0.6180132054938116
Energy: 0.6457136350751848
Energy: 0.6180132054910633
Energy: 0.6201266293562686
Energy: 0.6167196378141724
Energy: 0.6391813221137673
Energy: 0.6167196378132563
Energy: 0.6233514409582187
Energy: 0.6136982084247244
Energy: 0.6028970774417809
Energy: 0.6136982084256405
Energy: 0.614334693447329
Energy: 0.5812697516995812
Energy: 0.6526600266135146
Energy: 0.5812697516995812
Energy: 0.5332740007991401
Energy: 0.5869645506419363
Energy: 0.5778442537113059
Energy: 0.5869645506428525
Energy: 0.6062189563499434
Energy: 0.5827177726906199
Energy: 0.5883987236374931
Energy: 0.5827177726915359
Energy: 0.5340289724168406
Energy: 0.5261585486888072
Energy: 0.5664485341620029
Energy: 0.5261585486888072
Energy: 0.5255186658211671
Energy: 0.5541925617386463
Energy: 0.4993846393653507
Energy: 0.5541925617395623
Energy: 0.5236621768911123
Energy: 0.5321287754406256
Energy: 0.5623113281368219
Energy: 0.5321287754424577
Energy: 0.5393474051383509
Energy: 0.5318653180865993
Energy: 0.5858201637079664
Energy: 0.5318653180884314
Energy: 0.44215550763996286
Energy: 0.4659110453461391
Energy: 0.46048837177960894
Energy: 0.4659110453461391
Energy: 0.521586553046478
Energy: 0.46045978641832974
Energy: 0.45885871902608943
Energy: 0.46045978640918994
Energy: 0.524547929661137
Energy: 0.5245453367968589
Energy: 0.5101377633663845
Energy: 0.5245453367959428
Energy: 0.4601049417175197
Energy: 0.4575592567242759
Energy: 0.4345749611009457
Energy: 0.45755925672519204
Energy: 0.45891107117525276
Energy: 0.5219358250469047
Energy: 0.4590479562793667
Energy: 0.5219358250478209
Energy: 0.489682280961449
Energy: 0.4628838741437651
Energy: 0.4590028073888362
Energy: 0.4628838741437651

minimum gb energy = 0.36851368958160463 eV
minimum distance =  2.30667684474328 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014309069885124695
Energy: 0.14237546002455595
Energy: 0.9602972725765219
Energy: 0.01497316631265672
Energy: 0.029458209342044066
Energy: 0.14716187178595597
Energy: 0.028524130315816628
Energy: 0.14716187178595597
Energy: 0.03034443253348406
Energy: 0.14610264488918565
Energy: 0.021841240829744896
Energy: 0.14610264488503857
Energy: 0.030866516536987965
Energy: 0.14278337043905662
Energy: 0.01527475834131135
Energy: 0.14278337043905662
Energy: 0.0293738500319357
Energy: 0.14839083198118783
Energy: 0.02937968877743814
Energy: 0.14839083197774497
Energy: 0.019994728242358262
Energy: 0.14451848652729374
Energy: 0.030593193414235935
Energy: 0.14451848653003238

minimum gb energy = 0.014309069885124695 eV
minimum distance =  2.45845368416001 Angstroms
sigma value = 1