Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.620000123977662
cohesive_energy=3.54027837806963
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.2894463229206397e-19, 2.31359112479502e-19, 2.8343786396767197e-19, 3.5391601192069794e-19, 4.1614775673852596e-19, 4.492855760595479e-19, 4.62119010897888e-19, 4.706906558897879e-19, 4.7931997924051195e-19, 4.87808311047444e-19, 4.96823758966962e-19, 5.062605793412219e-19, 5.15751873721038e-19, 5.24908313184348e-19, 5.33362999281966e-19, 5.408756055187919e-19, 5.47346796943518e-19, 5.527974018523859e-19, 5.57304324723828e-19, 5.60942867859642e-19, 5.63740268262606e-19, 5.65691719402818e-19, 5.668116408699839e-19, 5.67170528436e-19, 5.66814845223252e-19, 5.657894521774919e-19, 5.6417445813042e-19, 5.62025939264226e-19, 5.59201301858484e-19, 5.55131773208124e-19, 5.4890251045513195e-19, 5.396066816246639e-19, 5.26598609533218e-19, 5.0940404989713e-19, 4.87547156256102e-19, 4.604911994377439e-19, 4.2753122172309596e-19, 3.8725890985087196e-19, 3.3736712946811197e-19, 2.75827524956172e-19, 2.0641963099465799e-19, 1.359092792912886e-19, 5.43669801568488e-20, -6.71411344597308e-20, -2.03583778352478e-19, -2.8519064520526797e-19, -9.909991199579219e-20, 1.126437519536478e-18]
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: 0.013617061569131783
Energy: 0.27829969068929034
Energy: 0.014134510462899638
Energy: 0.0138478226419918
Energy: 0.27782724925371716
Energy: 0.013995158553432693
Energy: 0.2782996906945027
Energy: 0.09863267030409278
Energy: 0.0991844527181478
Energy: 0.09872498792826488
Energy: 0.09887758213867742
Energy: 0.09895922646867022
Energy: 0.014134510460432449
Energy: 0.09918445271846055
Energy: 0.0996143324620977
Energy: 0.014170642909509262
Energy: 0.09868646914643596
Energy: 0.09919465737801048
Energy: 0.013847822642930026
Energy: 0.09872498792767415
Energy: 0.014170642907667556
Energy: 0.013852896399112288
Energy: 0.09848173438027708
Energy: 0.014008431665799617
Energy: 0.27782724925371716
Energy: 0.09887758213958088
Energy: 0.09868646914918115
Energy: 0.09848173438302225
Energy: 0.09887061918956137
Energy: 0.09847075407457956
Energy: 0.013995158553119951
Energy: 0.09895922647051193
Energy: 0.09919465737707227
Energy: 0.014008431667015835
Energy: 0.09847075407642128
Energy: 0.013909328154640351

minimum gb energy = 0.013617061569131783 eV
minimum distance =  2.55648731044584 Angstroms
sigma value = 1


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

Energy: 1.0198134148951543
Energy: 1.118415236118455
Energy: 0.7596318714180852
Energy: 0.8031344509443337
Energy: 1.1194297176181387
Energy: 0.7209225497348364
Energy: 0.9040904354780464
Energy: 0.667307260491007
Energy: 0.6674108081780583
Energy: 0.7513510184853742
Energy: 0.6681030225487218
Energy: 0.6673509523904112
Energy: 0.8690605396950186
Energy: 0.6697231550002528
Energy: 0.669972944035738
Energy: 0.7467585955182126
Energy: 0.6697194887674099
Energy: 0.6700379578660642
Energy: 0.9292878872607735
Energy: 0.7576978005056787
Energy: 0.8400522091403706
Energy: 0.7531615609681904
Energy: 0.7571979773475149
Energy: 0.7205031243410794
Energy: 0.901934419286891
Energy: 0.7397054338137065
Energy: 0.7392926560114019
Energy: 0.7566760374031237
Energy: 0.7419295739444959
Energy: 0.7394476524482734
Energy: 0.8917842545174653
Energy: 0.7360682467759536
Energy: 0.7296546275289885
Energy: 0.7718775380690162
Energy: 0.7390468902333711
Energy: 0.7298706960235046
Energy: 0.8868173997928098
Energy: 0.804951813766835
Energy: 0.7517410168296894
Energy: 0.7839325138155792
Energy: 0.8182519433627554
Energy: 0.7298302743849158
Energy: 0.847904069307257
Energy: 0.7823085375599285
Energy: 0.7878380279122206
Energy: 0.8453259029654556
Energy: 0.7617104665950525
Energy: 0.7573479552581274
Energy: 0.7648595946803375
Energy: 0.7299229831585676
Energy: 0.7358093930310735
Energy: 0.7648102771764829
Energy: 0.7295007907775043
Energy: 0.7346526842602421
Energy: 0.7866571946768705
Energy: 0.7587971696747764
Energy: 0.736181665515029
Energy: 0.7485305922391363
Energy: 0.7573788844631286
Energy: 0.7396833133599285
Energy: 0.6790550459801303
Energy: 0.7149585767056837
Energy: 0.7521043415684169
Energy: 0.6752938284787103
Energy: 0.7302053633136331
Energy: 0.7877698914514157
Energy: 0.6697144540945186
Energy: 0.6981338341349574
Energy: 0.669672053915023
Energy: 0.6702851815225876
Energy: 0.745039551187927
Energy: 0.6753751425096055
Energy: 0.6683807302941032
Energy: 0.7270060293166746
Energy: 0.6673072605782986
Energy: 0.6684459674296985
Energy: 0.7569819226121302
Energy: 0.6677210802975838
Energy: 0.6727124983174221
Energy: 0.7156705980753713
Energy: 0.7249182134122764
Energy: 0.6720759264694335
Energy: 0.709647202904774
Energy: 0.7675403601895757
Energy: 0.7070361473645772
Energy: 0.7494813787837431
Energy: 0.69893404292738
Energy: 0.7078812768905169
Energy: 0.7533333678070055
Energy: 0.6990961048810563
Energy: 0.7056048886698424
Energy: 0.7005295641788735
Energy: 0.7046745061831737
Energy: 0.7054288270752049
Energy: 0.7330930029607328
Energy: 0.7047530695456173
Energy: 0.7052366355154218
Energy: 0.7606945141426643
Energy: 0.7622246580950001
Energy: 0.8773185277213911
Energy: 0.7304941679547186
Energy: 0.7065437899692867
Energy: 0.8366264831193135
Energy: 0.7649744176276259
Energy: 0.7645777517904866
Energy: 0.7854115016857843
Energy: 0.7659008614892461
Energy: 0.7599376696165947
Energy: 0.8388524205340461
Energy: 0.7496726854357578
Energy: 0.7501633872012988
Energy: 0.7804816472396543
Energy: 0.7559577187659764
Energy: 0.7506964767395231
Energy: 0.8578727586060926
Energy: 0.765575911956325
Energy: 0.7697842488925174
Energy: 0.7979055629772345
Energy: 0.7640561752502195
Energy: 0.7605760065583966
Energy: 0.904327558000555
Energy: 0.7021565920306613
Energy: 0.7190642241503836
Energy: 0.7918427433564481
Energy: 0.7034332288006593
Energy: 0.7266101444171401
Energy: 0.8758928218238987
Energy: 0.7010296330111478
Energy: 0.701108392065333
Energy: 0.7744499459005376
Energy: 0.7008480799761422
Energy: 0.70133855313448
Energy: 0.9269606304689136
Energy: 0.6993144891698186
Energy: 0.6990192360972151
Energy: 0.7525904410603085
Energy: 0.704966065757034
Energy: 0.698768063188404

minimum gb energy = 0.667307260491007 eV
minimum distance =  2.34872147947716 Angstroms
sigma value = 33


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

Energy: 1.1166038952590642
Energy: 0.6820687205770706
Energy: 0.7396048912522388
Energy: 1.1153647793708037
Energy: 0.6815183118909334
Energy: 0.7403693171745181
Energy: 0.8575366666902123
Energy: 0.67482796096848
Energy: 0.6749904369234778
Energy: 0.8041394462024023
Energy: 0.675157060771139
Energy: 0.6747815608679876
Energy: 0.8540532178250589
Energy: 0.6759751420865299
Energy: 0.6749315848096286
Energy: 0.7792124425844631
Energy: 0.6756655201436046
Energy: 0.6743889964831279
Energy: 0.8563881842221663
Energy: 0.6942939927091503
Energy: 0.6787533275068108
Energy: 0.8481325092184336
Energy: 0.694252920125198
Energy: 0.735904948776472
Energy: 0.8492788837676961
Energy: 0.7172035581947787
Energy: 0.7173184528636236
Energy: 0.8025957641040133
Energy: 0.7172237864807435
Energy: 0.7166471554531479
Energy: 0.88745926691752
Energy: 0.7132010742854106
Energy: 0.7119426454046419
Energy: 0.8845723076607265
Energy: 0.7141788796500974
Energy: 0.7117450008996593
Energy: 0.8861662552683943
Energy: 0.8125917710834618
Energy: 0.7260809796779333
Energy: 0.882445398663302
Energy: 0.8132348821924164
Energy: 0.726404735742223
Energy: 0.8548040351497764
Energy: 0.7402525779367809
Energy: 0.7444655949606098
Energy: 0.8535036910784937
Energy: 0.7422304692828986
Energy: 0.7433028828157549
Energy: 0.7385016518740366
Energy: 0.7488003817536154
Energy: 0.7130891158346213
Energy: 0.7380700759818931
Energy: 0.7365795943911045
Energy: 0.7130340666673061
Energy: 0.7554438479010622
Energy: 0.752687761497049
Energy: 0.7168406978885556
Energy: 0.7496728210351865
Energy: 0.7536806966524776
Energy: 0.7167358915845955
Energy: 0.7875972081683517
Energy: 0.6899816633141431
Energy: 0.6903316656337822
Energy: 0.783774976986651
Energy: 0.6777905875049243
Energy: 0.7417108667870467
Energy: 0.6760026588158787
Energy: 0.719424125358026
Energy: 0.6744560167588451
Energy: 0.6752779294378355
Energy: 0.7419264724630422
Energy: 0.6740807910512664
Energy: 0.6761672004348793
Energy: 0.7171295529891609
Energy: 0.6741304470995216
Energy: 0.6766267264304786
Energy: 0.7400272488660783
Energy: 0.6752750351625622
Energy: 0.6947420125375586
Energy: 0.7245109269932076
Energy: 0.7363466866457251
Energy: 0.6951946199504871
Energy: 0.8488150704921253
Energy: 0.7373373198457395
Energy: 0.7673398482656859
Energy: 0.7167144775183173
Energy: 0.7166423431346363
Energy: 0.7662992899720602
Energy: 0.7542693106673527
Energy: 0.7163562987968922
Energy: 0.73940773733398
Energy: 0.7104267391473713
Energy: 0.7113471580943174
Energy: 0.7132949553185272
Energy: 0.8347186692205608
Energy: 0.7111032311676206
Energy: 0.7746513538292273
Energy: 0.7254231892040938
Energy: 0.7273907954728647
Energy: 0.7394357413827667
Energy: 0.7231326504266794
Energy: 0.7262560360401483
Energy: 0.8032303267510241
Energy: 0.7242437850734744
Energy: 0.7253875343956613
Energy: 0.8016497961210216
Energy: 0.8141577037778598
Energy: 0.7452516779050109
Energy: 0.8324109897599163
Energy: 0.7142748970412907
Energy: 0.7136405204337013
Energy: 0.7730660142504937
Energy: 0.714266004240048
Energy: 0.7127496192534049
Energy: 0.8559214635340177
Energy: 0.7168442933450293
Energy: 0.7172418320000447
Energy: 0.8022094586670536
Energy: 0.7166811519467908
Energy: 0.7168489753180055
Energy: 0.911902023989935
Energy: 0.7832579203736325
Energy: 0.7432412387361571
Energy: 0.9098252255155596
Energy: 0.7958972706139773
Energy: 0.6900980306774037
Energy: 0.8342250108992387
Energy: 0.6743349745514763
Energy: 0.6741351360446854
Energy: 0.7404221579564776
Energy: 0.6764023643610876
Energy: 0.675428448938015
Energy: 0.8569703415213725
Energy: 0.6758488522104208
Energy: 0.6753757031518098
Energy: 0.75493039869576
Energy: 0.677480482023837
Energy: 0.6743695854444415
Energy: 0.8587645720933458
Energy: 0.6939847457347241
Energy: 0.6936476199681011
Energy: 0.8491491961164257
Energy: 0.6937897390943398
Energy: 0.7375705802393143
Energy: 0.8575460721924818
Energy: 0.6751466449891178
Energy: 0.7163020512268612
Energy: 0.7543518543766095
Energy: 0.7168518432409712
Energy: 0.7165372406262143
Energy: 0.8599541368204562
Energy: 0.7155309632001626
Energy: 0.7154444977634967
Energy: 0.7544849462797285
Energy: 0.7134383762727059
Energy: 0.7159551058205753
Energy: 0.8594537729516528
Energy: 0.7295974025432512
Energy: 0.7295597995424258
Energy: 0.8570989425614308
Energy: 0.716540597804917
Energy: 0.7270548575426711
Energy: 0.8611182306482913
Energy: 0.7456517352371197
Energy: 0.7457943535817992
Energy: 0.8500719181454458
Energy: 0.7419728514783017
Energy: 0.7261781465823863
Energy: 0.7408794246245964
Energy: 0.7422132625549391
Energy: 0.7472294820942682
Energy: 0.7386332059608887
Energy: 0.7373330329817794
Energy: 0.7191681388480821
Energy: 0.7402547191165703
Energy: 0.7522345089056518
Energy: 0.717273328027741
Energy: 0.7157697884284627
Energy: 0.7538265705100682
Energy: 0.7177831496440924
Energy: 0.7700330961157492
Energy: 0.6653372614807671
Energy: 0.6649215387577827
Energy: 0.7705509232622336
Energy: 0.6711343521630319
Energy: 0.6775110047006304
Energy: 0.6768281257562281
Energy: 0.7085967800297465
Energy: 0.7103426274950759
Energy: 0.6750366873963324
Energy: 0.7483705460754283
Energy: 0.675117988766552
Energy: 0.6742446587349792
Energy: 0.7178749709825996
Energy: 0.6744645068538354
Energy: 0.6747885306203883
Energy: 0.7444132044494226
Energy: 0.6738243724847335
Energy: 0.6953674634427398
Energy: 0.7154610133775561
Energy: 0.736111378736817
Energy: 0.6951764000027868
Energy: 0.715117207730647
Energy: 0.7360441801087576
Energy: 0.7598251462638446
Energy: 0.7166093360066739
Energy: 0.7166291399031983
Energy: 0.7570148094264194
Energy: 0.7551567075010572
Energy: 0.6740117669899741
Energy: 0.7422882116035087
Energy: 0.7122501402399889
Energy: 0.71346019923842
Energy: 0.7327058128891344
Energy: 0.7554813786845673
Energy: 0.7155337855131644
Energy: 0.7732564766593043
Energy: 0.7391390611245573
Energy: 0.7392770940341018
Energy: 0.7400912410100576
Energy: 0.7186449602480052
Energy: 0.7128779468370725
Energy: 0.8329005072811634
Energy: 0.7285879350304312
Energy: 0.7297767154108842
Energy: 0.7376763520873983
Energy: 0.8146084408957653
Energy: 0.7290560525368631
Energy: 0.8019500636565511
Energy: 0.7163762464427891
Energy: 0.7171181120268134
Energy: 0.8010254050179382
Energy: 0.7291737277740648
Energy: 0.7444609896275498
Energy: 0.8493280073261503
Energy: 0.7178616069920025
Energy: 0.7181545227522309
Energy: 0.797640501179696
Energy: 0.7179348888268716
Energy: 0.7171889255937272
Energy: 0.912161696642827
Energy: 0.779512413932425
Energy: 0.6646943541421014
Energy: 0.9097052132235005
Energy: 0.7788856714761474
Energy: 0.6646605034882026

minimum gb energy = 0.6646605034882026 eV
minimum distance =  2.42818092551739 Angstroms
sigma value = 51


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

Energy: 1.0653675081847902
Energy: 0.6932416197357107
Energy: 0.6926053322104612
Energy: 1.0648406240910708
Energy: 0.6931924998680004
Energy: 0.7493442480272561
Energy: 0.8437664394161863
Energy: 0.6927223946970144
Energy: 0.6930188035049608
Energy: 0.825268761943507
Energy: 0.6923422189839042
Energy: 0.6933911927339611
Energy: 0.8636517079808506
Energy: 0.6910950262757899
Energy: 0.6912553020464212
Energy: 0.7664453878474865
Energy: 0.6925049107442701
Energy: 0.6917605130673531
Energy: 0.9722802093911693
Energy: 0.885800029469879
Energy: 0.7431280244738905
Energy: 0.7161400547713827
Energy: 0.741181743207069
Energy: 0.7407952078169229
Energy: 0.8480858886790995
Energy: 0.7664343387877236
Energy: 0.7640421604777089
Energy: 0.8472789504250836
Energy: 0.7615534940993238
Energy: 0.7626014545072349
Energy: 0.829163342982025
Energy: 0.7433914474145045
Energy: 0.7420109308477801
Energy: 0.7632693953591956
Energy: 0.7623342300625725
Energy: 0.7415337606292773
Energy: 0.8297723692660045
Energy: 0.7405991304460688
Energy: 0.7603021441569847
Energy: 0.8312330055553973
Energy: 0.7586165087290089
Energy: 0.7644511388309545
Energy: 0.8144893192384738
Energy: 0.701327478556584
Energy: 0.7010748698216756
Energy: 0.8152487455019702
Energy: 0.6859290063693948
Energy: 0.7011967886722598
Energy: 0.702355961455323
Energy: 0.7195196443589337
Energy: 0.7270537662292131
Energy: 0.7023253350389769
Energy: 0.7558432839478083
Energy: 0.6826959885114997
Energy: 0.6924648117596087
Energy: 0.7810469903308499
Energy: 0.6930228489845937
Energy: 0.6925268466146899
Energy: 0.7882171080463583
Energy: 0.6925687190080848
Energy: 0.7008198624880791
Energy: 0.6980131652025336
Energy: 0.6971091984908971
Energy: 0.7011513508267714
Energy: 0.695057855326741
Energy: 0.7221368036380297
Energy: 0.7498772308249825
Energy: 0.7609185921795728
Energy: 0.7308584581038641
Energy: 0.7499097788161729
Energy: 0.759891809404336
Energy: 0.6935345793851152
Energy: 0.73508326422919
Energy: 0.7024840115412427
Energy: 0.7100691433543299
Energy: 0.7256958948342229
Energy: 0.7655405025142332
Energy: 0.7097193742899905
Energy: 0.7366140284650904
Energy: 0.7448755097587483
Energy: 0.7339311933802085
Energy: 0.7367556111934827
Energy: 0.7288108539400983
Energy: 0.785702710064049
Energy: 0.8767407394559014
Energy: 0.774730061772894
Energy: 0.7588723651999915
Energy: 0.693852506762873
Energy: 0.7776002850629712
Energy: 0.7422077773876731
Energy: 0.875303927691938
Energy: 0.7296131565894651
Energy: 0.7296599653864004
Energy: 0.873603877282506
Energy: 0.7291336969316999
Energy: 0.7481278890821434
Energy: 0.8520315204156357
Energy: 0.716206615359614
Energy: 0.7158105218634819
Energy: 0.8345389260010603
Energy: 0.7159016992199693
Energy: 0.7158303872907494
Energy: 0.9184073458291294
Energy: 0.73822352136478
Energy: 0.7119810991634025
Energy: 0.8664854968063237
Energy: 0.7453091352206568
Energy: 0.6816421220237289

minimum gb energy = 0.6816421220237289 eV
minimum distance =  2.40041835085419 Angstroms
sigma value = 19


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

Energy: 0.892348053844329
Energy: 0.6412000125160278
Energy: 0.6452195577086037
Energy: 0.8929298394577044
Energy: 0.6422743885174552
Energy: 0.6452233559430756
Energy: 0.7838043745507187
Energy: 0.6363454307331662
Energy: 0.63676012511484
Energy: 0.785140580967278
Energy: 0.63626798929511
Energy: 0.6366838465717013
Energy: 0.9164453877912501
Energy: 0.6228436723640212
Energy: 0.6230046491643639
Energy: 0.6070134598953582
Energy: 0.621590280544843
Energy: 0.6231925575198765
Energy: 0.7563354520758659
Energy: 0.6990361959998785
Energy: 0.654280476022028
Energy: 0.7386831152549285
Energy: 0.6989758246689333
Energy: 0.6544812790603257
Energy: 0.696642909072569
Energy: 0.636633469132683
Energy: 0.6363386320781713
Energy: 0.697334987928815
Energy: 0.6368784679978553
Energy: 0.6367666436490637
Energy: 0.7705491512120924
Energy: 0.6071061441262992
Energy: 0.662497617454317
Energy: 0.7717605700310187
Energy: 0.6075577581561958
Energy: 0.6627322374718062
Energy: 0.7812742261887519
Energy: 0.6896003811583452
Energy: 0.6634046915098636
Energy: 0.6523242932321367
Energy: 0.6829992545032488
Energy: 0.6639403007033217
Energy: 0.7156756359275023
Energy: 0.6283908336064266
Energy: 0.6275658036250055
Energy: 0.7163291002567951
Energy: 0.6285850507679589
Energy: 0.6277715055919398
Energy: 0.6683919509842339
Energy: 0.5830698340613358
Energy: 0.5825346649461444
Energy: 0.6681062080750817
Energy: 0.582994355846879
Energy: 0.5821716983871841
Energy: 0.6409578211343918
Energy: 0.6363839716334873
Energy: 0.6364209938178873
Energy: 0.621949722493029
Energy: 0.6240898862124279
Energy: 0.6528771665226492
Energy: 0.6385180866675803
Energy: 0.6394789402776928
Energy: 0.6385125965053488
Energy: 0.6393939720211105
Energy: 0.7376818604898058
Energy: 0.6217246902575291
Energy: 0.7011395274748033
Energy: 0.6364906376729378
Energy: 0.6892550698716313
Energy: 0.7000101380011773
Energy: 0.7552683290309251
Energy: 0.6531418092525129
Energy: 0.6352658517948424
Energy: 0.6513947921984193
Energy: 0.6519461813125306
Energy: 0.5826710367541718
Energy: 0.6524788325367281
Energy: 0.6523257811920729
Energy: 0.7006100604945527
Energy: 0.6809497338661155
Energy: 0.6820040136351112
Energy: 0.700132735524626
Energy: 0.6508473995140247
Energy: 0.6914868224452888
Energy: 0.8994591857348668
Energy: 0.6377325259248571
Energy: 0.6369812421814145
Energy: 0.5835066432591441
Energy: 0.7189093771082861
Energy: 0.5822928357319563
Energy: 0.8961485139333254
Energy: 0.6680447738353529
Energy: 0.6461977969851294
Energy: 0.8968463463246653
Energy: 0.6681301420991205
Energy: 0.6281283783972271
Energy: 0.6969541656323925
Energy: 0.6365695971951354
Energy: 0.6363231920855398
Energy: 0.6235081937028344
Energy: 0.6219143173524302
Energy: 0.6364991928368401
Energy: 0.7621872633016818
Energy: 0.653467031025117
Energy: 0.6536240790330153
Energy: 0.761097030513554
Energy: 0.6533472964406449
Energy: 0.6237702661980549
Energy: 0.7631466742333954
Energy: 0.6238069002478726
Energy: 0.6215750666380966
Energy: 0.7474079666052322
Energy: 0.6987859445527458
Energy: 0.6356751782963943
Energy: 0.7829338193087814
Energy: 0.6064378680360744
Energy: 0.6463667354305608
Energy: 0.7742753762658886
Energy: 0.6073301711125694
Energy: 0.647828838073077
Energy: 0.7679940241514646
Energy: 0.6528111459703996
Energy: 0.6482332753279643
Energy: 0.7688152546519748
Energy: 0.6523814304731257
Energy: 0.6497873319357214
Energy: 0.6995860628792511
Energy: 0.66686526494104
Energy: 0.6663200895915097
Energy: 0.7190606041909077
Energy: 0.684483347303354
Energy: 0.666479182869096
Energy: 0.6995183895095731
Energy: 0.6295511215648627
Energy: 0.6295119221045086
Energy: 0.7194180171682644
Energy: 0.8939325843898188
Energy: 0.645239839518585
Energy: 0.6546797555199333
Energy: 0.6394752872914989
Energy: 0.6369836484873765
Energy: 0.6367487744044983
Energy: 0.680829972267036
Energy: 0.6368267033221289
Energy: 0.6526527278429043
Energy: 0.6229868786712636
Energy: 0.6228619535908804
Energy: 0.6217409800378073
Energy: 0.6362226768816508
Energy: 0.6231348543632597
Energy: 0.6411521103519885
Energy: 0.6388684866520586
Energy: 0.6389838254751444
Energy: 0.6424134890917438
Energy: 0.7391602956080091
Energy: 0.6399230186543415
Energy: 0.7807566604456178
Energy: 0.6342360559529594
Energy: 0.6345413321000066
Energy: 0.6524560997124447
Energy: 0.698333346453695
Energy: 0.6362672793384817
Energy: 0.6267832046921087
Energy: 0.6518792745549228
Energy: 0.6642606161837326
Energy: 0.6072964779525378
Energy: 0.6506108088094149
Energy: 0.6630477001166033
Energy: 0.6969460437837893
Energy: 0.6652722069723016
Energy: 0.6651441022144232
Energy: 0.6242123881603221
Energy: 0.6520077760091758
Energy: 0.6639873681239212
Energy: 0.8984671901991138
Energy: 0.7183294332481533
Energy: 0.6280970501000996
Energy: 0.899364684662105
Energy: 0.7185102928903393
Energy: 0.6271573667274423

minimum gb energy = 0.5821716983871841 eV
minimum distance =  2.43217625550546 Angstroms
sigma value = 27


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

Energy: 0.7581703621521226
Energy: 0.6411623451734417
Energy: 0.6616900462590712
Energy: 0.7593825682645176
Energy: 0.6406148063389193
Energy: 0.6623344050647272
Energy: 0.7264865651076149
Energy: 0.6538152788649927
Energy: 0.652947837994332
Energy: 0.7171781043356524
Energy: 0.6525261473176044
Energy: 0.6529740769480911
Energy: 0.6877023623246945
Energy: 0.624321750417903
Energy: 0.6237056184620314
Energy: 0.6874739037115897
Energy: 0.6232969187082763
Energy: 0.6236294886537258
Energy: 0.8207566815469901
Energy: 0.670429001021761
Energy: 0.6241252278333358
Energy: 0.6299571018501284
Energy: 0.7464516398136823
Energy: 0.6957964759039418
Energy: 0.7477974979273166
Energy: 0.6795768859395315
Energy: 0.6726355529560744
Energy: 0.7486011638216555
Energy: 0.765883657636932
Energy: 0.6374855306317455
Energy: 0.6451730841110758
Energy: 0.6784570540631178
Energy: 0.6367686797045047
Energy: 0.6263082446991619
Energy: 0.761914449215081
Energy: 0.5716293288762418
Energy: 0.6407142418030726
Energy: 0.6218575113121488
Energy: 0.6276086702103191
Energy: 0.6411108833530824
Energy: 0.7971870116954355
Energy: 0.6276774202464214
Energy: 0.6382503853720299
Energy: 0.6900541290045409
Energy: 0.6199944701448006
Energy: 0.6385617343372634
Energy: 0.7219715568800993
Energy: 0.6196976028372672
Energy: 0.7284020496246219
Energy: 0.690407131798965
Energy: 0.6571228982190798
Energy: 0.7283420625423473
Energy: 0.6973614633044994
Energy: 0.6699639774940984
Energy: 0.6830260258610543
Energy: 0.6104393255349952
Energy: 0.6070538003061754
Energy: 0.6712584313721428
Energy: 0.6558461666003256
Energy: 0.6383502513034824
Energy: 0.6882564973086972
Energy: 0.6353537187652286
Energy: 0.6369138957782019
Energy: 0.6878043098799824
Energy: 0.6705528665831163
Energy: 0.6098454640734529
Energy: 0.7328152304780305
Energy: 0.652573053678353
Energy: 0.6532313126081662
Energy: 0.6581425152001321
Energy: 0.7350561191216998
Energy: 0.6526548109769943

minimum gb energy = 0.5716293288762418 eV
minimum distance =  2.38851236275751 Angstroms
sigma value = 9


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

Energy: 0.5968500182443799
Energy: 0.6499607036448525
Energy: 0.5550022843160816
Energy: 0.6039611040490328
Energy: 0.6487620098608937
Energy: 0.5315556277969994
Energy: 0.6497145478799965
Energy: 0.5759918555659878
Energy: 0.5764730096604079
Energy: 0.5719687173692009
Energy: 0.5761976861166749
Energy: 0.5766724128812779
Energy: 0.5813500408012879
Energy: 0.5491279820557521
Energy: 0.5496755712522294
Energy: 0.5687691185617617
Energy: 0.5519998312363219
Energy: 0.5498724276899523
Energy: 0.6548584915540253
Energy: 0.5711838034852122
Energy: 0.6167535634048344
Energy: 0.5794963352713824
Energy: 0.5685893964086283
Energy: 0.6133625151407475
Energy: 0.6413813606779246
Energy: 0.6016144213896178
Energy: 0.5908410101715854
Energy: 0.6377212849402457
Energy: 0.6667374490446296
Energy: 0.6366047578872961
Energy: 0.5773896982243522
Energy: 0.5339236033017543
Energy: 0.5732983587351144
Energy: 0.5774572664406142
Energy: 0.5376718100636672
Energy: 0.5726794809235679
Energy: 0.6041568430194609
Energy: 0.6221212020452177
Energy: 0.6047797932615084
Energy: 0.6059128290948625
Energy: 0.6633477781672874
Energy: 0.6043088856509634
Energy: 0.5587641448322171
Energy: 0.5654041558163205
Energy: 0.5662589330202441
Energy: 0.5593113305503231
Energy: 0.5633256771268261
Energy: 0.5574854450217676
Energy: 0.6878845330974421
Energy: 0.5718271979709594
Energy: 0.5741589171038289
Energy: 0.6886532551607593
Energy: 0.619893769727833
Energy: 0.5623780924520098
Energy: 0.5452973892612264
Energy: 0.5653307047585188
Energy: 0.6083010291190067
Energy: 0.5396274774666981
Energy: 0.5657117289185724
Energy: 0.5968984065615507
Energy: 0.5425347133119832
Energy: 0.5576630821822092
Energy: 0.5578173026584572
Energy: 0.525308214452038
Energy: 0.557679922938732
Energy: 0.5577693913362094
Energy: 0.5836154566674376
Energy: 0.5790684881209721
Energy: 0.5803773767569482
Energy: 0.5839836089223952
Energy: 0.5777750703728349
Energy: 0.580000658810227
Energy: 0.7929132326502562
Energy: 0.5720685556725614
Energy: 0.5709268134775802
Energy: 0.5685021052767372
Energy: 0.5736824226949138
Energy: 0.5571460831958339
Energy: 0.6409307037296476
Energy: 0.565239921988731
Energy: 0.5668634850442384
Energy: 0.6413121080659426
Energy: 0.6518544605075375
Energy: 0.6166717117599161
Energy: 0.5569532114974423
Energy: 0.5849168121367654
Energy: 0.6143694676476812
Energy: 0.5596295905358282
Energy: 0.6201784925390849
Energy: 0.5956326150580264
Energy: 0.5559881807689756
Energy: 0.5680132783904203
Energy: 0.5493254387220291
Energy: 0.549952596950504
Energy: 0.5767021339877082
Energy: 0.5491331534228819
Energy: 0.5739645973311066
Energy: 0.6128354754477068
Energy: 0.5941238604473374
Energy: 0.574018948148977
Energy: 0.6441739930663404
Energy: 0.5752731967037109
Energy: 0.6304555256586777
Energy: 0.5763278538077602
Energy: 0.6080429898578394
Energy: 0.629995349325679
Energy: 0.5651502828506935
Energy: 0.6084350009289858
Energy: 0.5788938211751516
Energy: 0.607740969847655
Energy: 0.5507441060419916
Energy: 0.5787208602927283
Energy: 0.5696064745747906
Energy: 0.5499122041137755
Energy: 0.5759223938850256
Energy: 0.5565754288383208
Energy: 0.5575585323616649
Energy: 0.5682547073606085
Energy: 0.5772974129570112
Energy: 0.5703629780680284
Energy: 0.5760046990969934
Energy: 0.5579044048049646
Energy: 0.5578275692776256
Energy: 0.5766936245984059
Energy: 0.5770765219833679
Energy: 0.5593313513933313
Energy: 0.6029712708205393
Energy: 0.5724245844641971
Energy: 0.5983751714411183
Energy: 0.5843767054564789
Energy: 0.6297286717980065
Energy: 0.5712543371686022
Energy: 0.5986031274390184
Energy: 0.5756373607799508
Energy: 0.5763036972741827
Energy: 0.5990371090368742
Energy: 0.5751318431516199
Energy: 0.619520636647963
Energy: 0.5780612001720224
Energy: 0.5489870078674082
Energy: 0.5491767186801616
Energy: 0.5776864651729231
Energy: 0.5484719711336808
Energy: 0.549246113172648
Energy: 0.8051341526215465
Energy: 0.5502515104321787
Energy: 0.5566667225646523
Energy: 0.7374968735393581
Energy: 0.5604279853318043
Energy: 0.5939359188746496
Energy: 0.6506024862480194
Energy: 0.5676093014220291
Energy: 0.5599916587677529
Energy: 0.650818737966609
Energy: 0.5889126754909922
Energy: 0.5588459879975284
Energy: 0.5566107020828572
Energy: 0.612608626930995
Energy: 0.5877927925357592
Energy: 0.5636610938188048
Energy: 0.6016357772756087
Energy: 0.5475857587774074
Energy: 0.5771976805982236
Energy: 0.6055810388313064
Energy: 0.5874736038644279
Energy: 0.5773620178326752
Energy: 0.6375023445932421
Energy: 0.5783045095925625
Energy: 0.5569425731500839
Energy: 0.6071956834350346
Energy: 0.5574838215928235
Energy: 0.5578863272810415
Energy: 0.6083851715843822
Energy: 0.5575248952831576
Energy: 0.5815804325623406
Energy: 0.5659522892108881
Energy: 0.5982482361954388
Energy: 0.5815909683193082
Energy: 0.5774687056233896
Energy: 0.6082852969697725
Energy: 0.5323080491277692
Energy: 0.5588657031437189
Energy: 0.5674474105883488
Energy: 0.5333723176833464
Energy: 0.6895527301589965
Energy: 0.5664499938619144
Energy: 0.5214695169609781
Energy: 0.5574167560335895
Energy: 0.5573520925348504
Energy: 0.5386488091519746
Energy: 0.5573979801092918
Energy: 0.5910788313923692
Energy: 0.6405977054541379
Energy: 0.5589914272228329
Energy: 0.5590801901904909
Energy: 0.6408884018430209
Energy: 0.5591653729095121
Energy: 0.5597945093796132
Energy: 0.5718874313193782
Energy: 0.5710534474343708
Energy: 0.5708048947947211
Energy: 0.565627176016814
Energy: 0.5761878817239606
Energy: 0.5934514218161481
Energy: 0.5799221881432839
Energy: 0.5795242044732115
Energy: 0.5784087641716436
Energy: 0.5668987494388209
Energy: 0.6377223874622198
Energy: 0.6948171012208969
Energy: 0.6414968017016259
Energy: 0.5914993420999132
Energy: 0.5676571439234108
Energy: 0.5725224761166036
Energy: 0.5890768703883207
Energy: 0.6169664272359673
Energy: 0.5561482357047072
Energy: 0.5677884225749851
Energy: 0.6015801927982241
Energy: 0.5499303335814978
Energy: 0.5708308674003619
Energy: 0.549474020558176
Energy: 0.5738380094233132
Energy: 0.5891457570193357
Energy: 0.5466864226009452
Energy: 0.5741870738529082
Energy: 0.5852147538410145
Energy: 0.5747111709772074
Energy: 0.6152598214589792
Energy: 0.59766163885204
Energy: 0.5787981821023056
Energy: 0.6149627511301906
Energy: 0.6329177329204508
Energy: 0.5825688420707964
Energy: 0.6304828101147879
Energy: 0.558508725287797
Energy: 0.5554524055424145
Energy: 0.6290168288039363
Energy: 0.5850152967350994
Energy: 0.5602418651322782
Energy: 0.5738567497444685
Energy: 0.5686241963163453
Energy: 0.553293393696102
Energy: 0.5694567540106922
Energy: 0.5681938707166577
Energy: 0.5543989424766702
Energy: 0.577732562607041
Energy: 0.5562220782959275
Energy: 0.5569336091949226
Energy: 0.5780768192621456
Energy: 0.5704658929435684
Energy: 0.5561131066706047
Energy: 0.624464375216561
Energy: 0.5757988785923572
Energy: 0.576032015988268
Energy: 0.624019177586297
Energy: 0.5770775080758839
Energy: 0.6186546458231563

minimum gb energy = 0.5214695169609781 eV
minimum distance =  2.36414632514946 Angstroms
sigma value = 57


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

Energy: 0.24965033361805583
Energy: 0.2919194037789295
Energy: 0.2594005240183989
Energy: 0.25217228274200554
Energy: 0.9815376487123978
Energy: 0.25118567954891297
Energy: 0.32377499930261056
Energy: 0.29077123317384423
Energy: 0.300012841958913
Energy: 0.2874514605897132
Energy: 0.2897298953696576
Energy: 0.29954176756691464
Energy: 0.3277182147000084
Energy: 0.29175136762829645
Energy: 0.29169583561776746
Energy: 0.3276742116784559
Energy: 0.2914938478878249
Energy: 0.2920056009692588
Energy: 0.3278341096198913
Energy: 0.2922579823371239
Energy: 0.29228703014101215
Energy: 0.3279767875442656
Energy: 0.3276558924311503
Energy: 0.33329421851081237
Energy: 0.32270392104949275
Energy: 0.251268940300674
Energy: 0.2522027886636262
Energy: 0.32352899571244087
Energy: 0.2510703066499452
Energy: 0.29105148920381235
Energy: 0.2919513707683456
Energy: 0.25092546144056543
Energy: 0.25117650809252884
Energy: 0.2918462768992214
Energy: 0.2508564776207709
Energy: 0.27739821683421273
Energy: 0.28565549554545716
Energy: 0.29101209286741553
Energy: 0.3016196324067705
Energy: 0.2863361127450963
Energy: 0.29091157404805346
Energy: 0.30085781242506227
Energy: 0.2922695551126504
Energy: 0.33383333254157105
Energy: 0.3337689556889383
Energy: 0.2920129670149846
Energy: 0.29115499047307736
Energy: 0.29205011696536126
Energy: 0.322350282853844
Energy: 0.29049446111755695
Energy: 0.33026888680421457
Energy: 0.32323778189964536
Energy: 0.3272817297050787
Energy: 0.29156482240399895
Energy: 0.2506846423199989
Energy: 0.32708305713838776
Energy: 0.27960799772914013
Energy: 0.2507548305557579
Energy: 0.3269486029071441
Energy: 0.25144452658004746
Energy: 0.2507947426591477
Energy: 0.2915063580172731
Energy: 0.3043009028083147
Energy: 0.25094677374986185
Energy: 0.29150834946474685
Energy: 0.2818913705648643
Energy: 0.32522468285294015
Energy: 0.29072758594873477
Energy: 0.290967410713183
Energy: 0.3258556308923591
Energy: 0.28979104443680054
Energy: 0.304237389424759
Energy: 0.32849708815085144
Energy: 0.3279202708829197
Energy: 0.33396484675663707
Energy: 0.29200106271859
Energy: 0.3280245438899024
Energy: 0.3337995218282287
Energy: 0.3232717234124391
Energy: 0.2908249502260335
Energy: 0.2905805933726388
Energy: 0.32474933052537536
Energy: 0.289420684103037
Energy: 0.2909441897991107
Energy: 0.32765834168957
Energy: 0.2504032641250501
Energy: 0.25066232108703473
Energy: 0.3277710788684705
Energy: 0.2533823041783541
Energy: 0.27920687099361574
Energy: 0.28963785805274356
Energy: 0.2900442292524588
Energy: 0.30095374569593836
Energy: 0.2901208694124383
Energy: 0.2512877116644055
Energy: 0.2998135234165699
Energy: 0.29165488782221627
Energy: 0.2912132709813886
Energy: 0.2913436006776153
Energy: 0.2914315935567474
Energy: 0.32771771941079086
Energy: 0.2915531525103733
Energy: 0.32820812774753255
Energy: 0.33354651185572576
Energy: 0.3335077556926709
Energy: 0.32797238414804364
Energy: 0.2908205654624983
Energy: 0.2917924831725944
Energy: 0.25092654330256153
Energy: 0.327285808738459
Energy: 0.29094823400186653
Energy: 0.2509121324082665
Energy: 0.3238505973017643
Energy: 0.29086660885876625

minimum gb energy = 0.24965033361805583 eV
minimum distance =  2.42790589960372 Angstroms
sigma value = 11


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

Energy: 0.5628985735421024
Energy: 0.5466882276817709
Energy: 0.4933778718248865
Energy: 0.49681526730970527
Energy: 0.5459095534593941
Energy: 0.4924484617201426
Energy: 0.46692623756359575
Energy: 0.4696090900049788
Energy: 0.4979959486417864
Energy: 0.4965129902679284
Energy: 0.46881065644963177
Energy: 0.5143493484742465
Energy: 0.4690840383610324
Energy: 0.46985538834122853
Energy: 0.4694164232715056
Energy: 0.46978095748592325
Energy: 0.4745390476337627
Energy: 0.4674821716256303
Energy: 0.468560179387692
Energy: 0.4814928212702787
Energy: 0.5046891154950622
Energy: 0.4695367175919842
Energy: 0.46730298872251497
Energy: 0.46804780831565734
Energy: 0.47125783336478355
Energy: 0.4747429569833418
Energy: 0.5003334231919779
Energy: 0.4715372166599651
Energy: 0.5372474476696443
Energy: 0.48259132393577536
Energy: 0.5091226693750002
Energy: 0.47352025840210177
Energy: 0.476791810700035
Energy: 0.5091053692589588
Energy: 0.5324058255274116
Energy: 0.4688941779304006
Energy: 0.507427441593819
Energy: 0.4828879547087588
Energy: 0.5119243609264961
Energy: 0.46761154370577335
Energy: 0.48127242033753787
Energy: 0.4799641331691607
Energy: 0.4909870219496504
Energy: 0.5351872349518522
Energy: 0.5355638642387222
Energy: 0.49062027100342753
Energy: 0.5351461327031204
Energy: 0.4762718335290033
Energy: 0.5080886541057056
Energy: 0.4660115335797773
Energy: 0.4675410601022934
Energy: 0.4673775640786971
Energy: 0.46518197216979523
Energy: 0.47038461564671413
Energy: 0.6364818781859047
Energy: 0.46866340293399417
Energy: 0.4689229853259571
Energy: 0.4704174953657412
Energy: 0.4688840365280456
Energy: 0.4772128139668274
Energy: 0.5455182041065992
Energy: 0.46847895661547906
Energy: 0.4924146359059976
Energy: 0.5364718277139999
Energy: 0.4704785752286235
Energy: 0.48270262638270195
Energy: 0.5094566336018096
Energy: 0.4562980717786899
Energy: 0.46850560641459205
Energy: 0.50825784132733
Energy: 0.45542538899575724
Energy: 0.5102789269318758
Energy: 0.5464701709425993
Energy: 0.45517354750044164
Energy: 0.5804836416432098
Energy: 0.5289189747391009
Energy: 0.4563125754570241
Energy: 0.5413023730310993
Energy: 0.5251816487947811
Energy: 0.48039241701254054
Energy: 0.5257219435389282
Energy: 0.5252625118840849
Energy: 0.48133041137698396
Energy: 0.5270831873923801
Energy: 0.5333310526113372
Energy: 0.4979458927529296
Energy: 0.5054310977749109
Energy: 0.5250581257282261
Energy: 0.4809129766727886
Energy: 0.4796958428544562
Energy: 0.5406122376964789
Energy: 0.5266332058486977
Energy: 0.5095386130166187
Energy: 0.5099951951788655
Energy: 0.5368736649385605
Energy: 0.49850230333574114
Energy: 0.7992999188616342
Energy: 0.508966594122995
Energy: 0.4934076036022458
Energy: 0.6344091604159415
Energy: 0.5081728686151832
Energy: 0.5386758627901979
Energy: 0.5441883440694967
Energy: 0.5264974441782949
Energy: 0.4793621291232414
Energy: 0.4775269390185559
Energy: 0.5270535632312718
Energy: 0.4770788258239081
Energy: 0.5403161233241603
Energy: 0.5294802009223969
Energy: 0.47710405025807207
Energy: 0.4651013725140898
Energy: 0.5289317594986515
Energy: 0.4755731867517682
Energy: 0.6451611052947517
Energy: 0.5800799018757756
Energy: 0.5052980650790754
Energy: 0.4827158307868237
Energy: 0.5780192014863275
Energy: 0.5562315304340268
Energy: 0.5394294136835406
Energy: 0.527218077760122
Energy: 0.5346516361510276
Energy: 0.46672660411938816
Energy: 0.5943221703334327
Energy: 0.50642638422201
Energy: 0.6850872804329605
Energy: 0.5025841661975824
Energy: 0.5117572503240084
Energy: 0.6850099980112647
Energy: 0.6692432871986368
Energy: 0.4770897423613346
Energy: 0.4655266585424341
Energy: 0.47744543378008575
Energy: 0.5289463174509411
Energy: 0.46579052890204614
Energy: 0.4961991263679863
Energy: 0.48088021494217487
Energy: 0.5358125224871576
Energy: 0.46979596916628996
Energy: 0.5172512162572126
Energy: 0.5363922228106381
Energy: 0.4714931580348078
Energy: 0.5338477045086009
Energy: 0.46643346339420266
Energy: 0.4703149459118844
Energy: 0.46753665742116274
Energy: 0.4672596792052592
Energy: 0.4691650339887079
Energy: 0.5380591781759133
Energy: 0.5389595583953023
Energy: 0.4668610052618475
Energy: 0.4800680246035337
Energy: 0.5943031738829215
Energy: 0.4689418414869111
Energy: 0.48190152625945887

minimum gb energy = 0.45517354750044164 eV
minimum distance =  2.39184269006544 Angstroms
sigma value = 41


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

Energy: 1.0395398566310448
Energy: 0.6416648374293945
Energy: 0.5337442199248504
Energy: 1.0404138906916383
Energy: 0.7162093305344133
Energy: 0.598265407986584
Energy: 0.5140912063422627
Energy: 0.5145365620096102
Energy: 0.5147447808103511
Energy: 0.5306263603606992
Energy: 0.5145163924738662
Energy: 0.5313932486810679
Energy: 0.5179552258103346
Energy: 0.5225019355083925
Energy: 0.5218496837791581
Energy: 0.5176965356283337
Energy: 0.5439996666645208
Energy: 0.5162931616999127
Energy: 0.5178210680381895
Energy: 0.5285012690215533
Energy: 0.527978989369169
Energy: 0.5176765039173495
Energy: 0.5162239604096628
Energy: 0.5171370129466747
Energy: 0.5143150495163974
Energy: 0.5372960726072468
Energy: 0.5375954142748725
Energy: 0.5141849478093421
Energy: 0.5370391346970896
Energy: 0.5263711880372207
Energy: 0.6167939280816302
Energy: 0.5269679115485121
Energy: 0.6245376514152875
Energy: 0.6168550382178792
Energy: 0.5384011753997782
Energy: 0.5503596680744267
Energy: 0.5804583442104899
Energy: 0.5542953022609836
Energy: 0.5486719793962129
Energy: 0.5154084321289245
Energy: 0.5275338951772495
Energy: 0.5256792214800222
Energy: 0.5373422886331931
Energy: 0.6291863802347988
Energy: 0.628396232027083
Energy: 0.5430232281461368
Energy: 0.6293273852737414
Energy: 0.5895052727904927
Energy: 0.5790599368764934
Energy: 0.536687533254346
Energy: 0.5369089097797614
Energy: 0.5245512887609222
Energy: 0.5380457505881824
Energy: 0.536942211698303
Energy: 0.7988666076871122
Energy: 0.6228574299066919
Energy: 0.6307190588613328
Energy: 0.5202593750270408
Energy: 0.6227384455352938
Energy: 0.6298445151396518
Energy: 0.6800414258787483
Energy: 0.5273049225011709
Energy: 0.5268925019532288
Energy: 0.5180289331961689
Energy: 0.5257198205402989
Energy: 0.5468056085075105
Energy: 0.5815402469911808
Energy: 0.49431834401657665
Energy: 0.5030619276918855
Energy: 0.5814972207205317
Energy: 0.4945246631155928
Energy: 0.530908175162464
Energy: 0.5418060192436972
Energy: 0.4945375888282985
Energy: 0.5373925305718799
Energy: 0.541801062472547
Energy: 0.4944388648570604
Energy: 0.539252323227915
Energy: 0.5378504241025533
Energy: 0.5316835895108463
Energy: 0.5615299772152081
Energy: 0.5368600706457938
Energy: 0.5248589663011818
Energy: 0.5369348608994392
Energy: 0.6251465685592514
Energy: 0.5859765616006521
Energy: 0.566050022091424
Energy: 0.6249320900163988
Energy: 0.5179917236079682
Energy: 0.6249530281607348
Energy: 0.5144862991708419
Energy: 0.5150632044660726
Energy: 0.5155546764039562
Energy: 0.5145027960212792
Energy: 0.5148607731952661
Energy: 0.5325242119507162
Energy: 1.0363489441602642
Energy: 0.5136440613570039
Energy: 0.514581139260877
Energy: 0.5728695533801906
Energy: 0.5792714012579314
Energy: 0.5831536737353812
Energy: 0.6665442564602692
Energy: 0.5144691604069931
Energy: 0.5145971012976612
Energy: 0.5699453522160138
Energy: 0.514355165899515
Energy: 0.5112688560343499
Energy: 0.5188078197997991
Energy: 0.5172448559387622
Energy: 0.5176119244196709
Energy: 0.5175672319454212
Energy: 0.5200722506286496
Energy: 0.5330250635383729
Energy: 0.5177567371459745
Energy: 0.517649503798724
Energy: 0.5229577103108498
Energy: 0.5186966100276401
Energy: 0.5171191566725651
Energy: 0.520236610320583
Energy: 0.5144192606374669
Energy: 0.5369009647180025
Energy: 0.5298788407292505
Energy: 0.5144175361098934
Energy: 0.5533342883883992
Energy: 0.5146973448396662
Energy: 0.6304410110289653
Energy: 0.5653595383894693
Energy: 0.5493924632039227
Energy: 0.6297616946605071
Energy: 0.5428922570609436
Energy: 0.5524909567490608
Energy: 0.6814141280017905
Energy: 0.5476734207026434
Energy: 0.537294705353342
Energy: 0.5145488013541749
Energy: 0.5382613541994081
Energy: 0.5254365603339187
Energy: 0.5370941211929987
Energy: 0.6216397439948862
Energy: 0.5441754518054447
Energy: 0.537709303871478
Energy: 0.6216632956623018
Energy: 0.5903399372767187
Energy: 0.5807889990332311
Energy: 0.5370160011855571
Energy: 0.537316917830005
Energy: 0.515816751602567
Energy: 0.5369137475373261
Energy: 0.5378865040463453
Energy: 0.5797215651477639
Energy: 0.5368231757720637
Energy: 0.5539141821237711
Energy: 0.5191810932309849
Energy: 0.5369930123516109
Energy: 0.5287380450701814
Energy: 0.7997648815646843
Energy: 0.5160326637288313
Energy: 0.529622229094973
Energy: 0.5203158207957927
Energy: 0.5818914512853363
Energy: 0.5300995360785717
Energy: 0.6818348370203932
Energy: 0.49390526804309126
Energy: 0.537116348926437
Energy: 0.512914117996666
Energy: 0.4955618303863398
Energy: 0.5277131914457946
Energy: 0.5462780709068497
Energy: 0.7392455330508408
Energy: 0.7377625680849063
Energy: 0.622828158273436
Energy: 0.5891424852365899
Energy: 0.6657294666559047
Energy: 0.5367225575503135
Energy: 0.5279424629871243
Energy: 0.5413217344048291
Energy: 0.5362242741918581
Energy: 0.536856271023175
Energy: 0.5366932814688505
Energy: 0.6269783504106947
Energy: 0.672010158978994
Energy: 0.6903361904691762
Energy: 0.6267562956143033
Energy: 0.5165580499059287
Energy: 0.6260134517533722
Energy: 0.515236221715724
Energy: 0.5161450750090635
Energy: 0.5163756229860239
Energy: 0.5151549818167356
Energy: 0.515878376971855
Energy: 0.5281581109046843
Energy: 0.6217476292077638
Energy: 0.5254588841893433
Energy: 0.5130990519773649
Energy: 0.4974278584760785
Energy: 0.57850040066562
Energy: 0.5134368902235238

minimum gb energy = 0.49390526804309126 eV
minimum distance =  2.37358433515313 Angstroms
sigma value = 33


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

Energy: 0.6482314047304338
Energy: 1.331631835599708
Energy: 0.9194312166267143
Energy: 0.6496861203348746
Energy: 1.3302229379947936
Energy: 0.9165296051727678
Energy: 0.5712782586393471
Energy: 0.5964103405854405
Energy: 0.5857899729639365
Energy: 0.592860907762894
Energy: 0.5958047445363777
Energy: 0.5842488794191008
Energy: 0.5869908723274729
Energy: 0.5985250960551867
Energy: 0.59879608730198
Energy: 0.5832372443175183
Energy: 0.5996695851346968
Energy: 0.5840480734863164
Energy: 0.5979623175163645
Energy: 0.5652541051747547
Energy: 0.5799815464841006
Energy: 0.582225712312497
Energy: 0.5801166348842342
Energy: 0.5765031941288092
Energy: 0.6078977603003987
Energy: 0.5942550645099451
Energy: 0.6032784171138573
Energy: 0.608147701903596
Energy: 0.5999068660580995
Energy: 0.595994717146676
Energy: 0.6220100176392683
Energy: 0.6517399129736836
Energy: 0.6126820147876882
Energy: 0.6168001463015991
Energy: 0.5796487173855595
Energy: 0.56905609608691
Energy: 0.6022912939964511
Energy: 0.5822460602885376
Energy: 0.565043027736255
Energy: 0.5965567783231556
Energy: 0.5669904767732374
Energy: 0.6350419180722053
Energy: 0.6294606542589632
Energy: 0.7490342585901634
Energy: 0.5705177224592836
Energy: 0.6279494314532712
Energy: 0.7481093391063754
Energy: 0.5667937362895591
Energy: 0.6012337216322579
Energy: 0.5889380896349887
Energy: 0.5875776633211448
Energy: 0.6084816060133337
Energy: 0.5865946325064505
Energy: 0.5867918459705931
Energy: 0.6807334979060491
Energy: 0.5686259347413642
Energy: 0.568783711371322
Energy: 0.5847361359379075
Energy: 0.5682370900210404
Energy: 0.5694264967510761
Energy: 0.6028343764312841
Energy: 0.5803884717916795
Energy: 0.5655193251111363
Energy: 0.599846296216899
Energy: 0.5766944898494908
Energy: 0.6365622674229786
Energy: 0.605175930722725
Energy: 0.5663909735054204
Energy: 0.6081864802540874
Energy: 0.6062515626961446
Energy: 0.5891957543415494
Energy: 0.5849802277324728
Energy: 0.5981871643264582
Energy: 0.5484346155281141
Energy: 0.5870528212784512
Energy: 0.5989944131071355
Energy: 0.5490994489685355
Energy: 0.5857240779071561
Energy: 0.5952433429117393
Energy: 0.5829644706362829
Energy: 0.5683487403116803
Energy: 0.5963580643822889
Energy: 0.575284637129929
Energy: 0.587388748919881
Energy: 0.5740288677183314
Energy: 0.5744583543053543
Energy: 0.5916226975786069
Energy: 0.6049289464956609
Energy: 0.5743273559875463
Energy: 0.5960856190997864
Energy: 0.5714715888379016
Energy: 0.5965012079476228
Energy: 0.5968236959158265
Energy: 0.5788549098348719
Energy: 0.596672801594832
Energy: 0.5849733301792656
Energy: 0.9716725840945257
Energy: 0.776553511649075
Energy: 0.5831410249292479
Energy: 0.5953306939650271
Energy: 0.7782237190005353
Energy: 0.592890724181331
Energy: 0.605043528159991
Energy: 0.606714526229581
Energy: 0.597337696019123
Energy: 0.6102949497184743
Energy: 0.6113821919918441
Energy: 0.5641445525926049
Energy: 0.5802976316891223
Energy: 0.6146068164087521
Energy: 0.6029710439600756
Energy: 0.5809041220900574
Energy: 0.6178176730727425
Energy: 0.5745795415255142
Energy: 0.5888231435595742
Energy: 0.6062359598382376
Energy: 0.6026306212876132
Energy: 0.5881036538953013
Energy: 0.6175699996522331
Energy: 0.5678857488539767
Energy: 0.587396193795842
Energy: 0.5891755111673841
Energy: 0.5650674520565369
Energy: 0.5883459627545486
Energy: 0.5968220160850506
Energy: 0.5873118238224271
Energy: 0.5687234681452571
Energy: 0.6156214656155422
Energy: 0.6156310804847389
Energy: 0.5684675792935909
Energy: 0.5761664763581557
Energy: 0.5703736965634361
Energy: 0.5714628941380616
Energy: 0.5964639154602235
Energy: 0.597176433538464
Energy: 0.5647177813224089
Energy: 0.5960982771636362
Energy: 0.6026385229560844
Energy: 0.6274844976221241
Energy: 0.5972970589474232
Energy: 0.5851084341686658
Energy: 0.5739995797231451
Energy: 0.5974282837865813
Energy: 0.5842280041333308
Energy: 0.7247831249193701
Energy: 0.595998117158752
Energy: 0.5868307113097067
Energy: 0.5983890238237988
Energy: 0.597387860993303
Energy: 0.5864467046499312
Energy: 0.582816272584374
Energy: 0.5780413228552203
Energy: 0.5771047211728131
Energy: 0.5834476989934836
Energy: 0.5850438216705857
Energy: 0.5769968038005246
Energy: 0.5859943524244259
Energy: 0.5655176260134536
Energy: 0.5763482919326293
Energy: 0.5868058378037196
Energy: 0.5762389570181607
Energy: 0.5789541330980262
Energy: 0.6067185722775611
Energy: 0.5655011938415883
Energy: 0.6025056011376072
Energy: 0.6065583254614828
Energy: 0.5971138052720053
Energy: 0.5979537203207534
Energy: 0.6052111048495481
Energy: 0.6141244800827126
Energy: 0.6135579425515373
Energy: 0.6050910884583145
Energy: 0.5808547640101759
Energy: 0.5930531720897408
Energy: 0.6021480744682831
Energy: 0.5817969781319375
Energy: 0.5652182579032967
Energy: 0.5950073123796237
Energy: 0.5661249251386093
Energy: 0.6341756966947746
Energy: 0.6301111111215452
Energy: 0.5994400669718076
Energy: 0.5664051622339497
Energy: 0.6310657914773986
Energy: 0.7526578796070372
Energy: 0.5708541470535932
Energy: 0.6021497578969557
Energy: 0.5886722815064874
Energy: 0.5691122314060529
Energy: 0.5952978824689229
Energy: 0.5890410343215852
Energy: 0.5646037342662018
Energy: 0.6055712569263949
Energy: 0.5680714130832426
Energy: 0.5680566276500826
Energy: 0.6015278402540724
Energy: 0.5681772462613204
Energy: 0.5680304571054726
Energy: 0.603624758146264
Energy: 0.5656917539528059
Energy: 0.5872183652960122
Energy: 0.5805445189780069
Energy: 0.580436119256316
Energy: 0.62167268798454
Energy: 0.6026357675011268
Energy: 0.5913896799741586
Energy: 0.6085041336460693
Energy: 0.6036794133178283
Energy: 0.5868663396541554
Energy: 0.5880160725089401
Energy: 0.6006851179162086
Energy: 0.6265734266268418
Energy: 0.5856371212098059
Energy: 0.6008299418616245
Energy: 0.5510631263767347
Energy: 0.5844041023515784
Energy: 0.5939373938862803
Energy: 0.608388162896423
Energy: 0.5853681903437513
Energy: 0.5950094907837556
Energy: 0.5875717321152034
Energy: 0.5842842990426146
Energy: 0.5709848433069569
Energy: 0.583876520094435
Energy: 0.5880155263331948
Energy: 0.5730623659359424
Energy: 0.583591159688864
Energy: 0.5970114770769429
Energy: 0.5744133754487778
Energy: 0.5974992747907901
Energy: 0.5976633713083782
Energy: 0.5734300873399474
Energy: 0.5978997005068414
Energy: 0.5979995230739642
Energy: 0.6071219986821209
Energy: 0.6071045497326627
Energy: 0.6083953253124655
Energy: 0.5793526619406218
Energy: 0.6087352926441695
Energy: 0.5861032187718295
Energy: 0.6092909827265859
Energy: 0.6076905183155844
Energy: 0.6076113539100763
Energy: 0.6127355303242784
Energy: 0.6196056726359507
Energy: 0.5946808703459447
Energy: 0.5767883941709523
Energy: 0.6052800190063358
Energy: 0.5985364040799906
Energy: 0.5779995669890619
Energy: 0.6139853645459546
Energy: 0.5971683947678779
Energy: 0.5898842177967545
Energy: 0.6153043195708691
Energy: 0.61458219992055
Energy: 0.5901231368181438
Energy: 0.6234051119038497
Energy: 0.5647514749714379
Energy: 0.5850868661062255
Energy: 0.6280418826571599
Energy: 0.5866245164123313
Energy: 0.5860716235262203
Energy: 0.6152529115020974
Energy: 0.5881119074450828
Energy: 0.7491679840487407
Energy: 0.6158856523470448
Energy: 0.6539854540390023
Energy: 0.7495896978107986
Energy: 0.5738964593616992
Energy: 0.7505840837910028
Energy: 0.5723260484608391
Energy: 0.5964570074865039
Energy: 0.5964431408291262
Energy: 0.5731887247654925
Energy: 0.5967986932878088
Energy: 0.6039984269754436
Energy: 0.7131427354982429
Energy: 0.5964842610553721
Energy: 0.5840505974583735
Energy: 0.5509366817095441
Energy: 0.5960219169285887
Energy: 0.5845793203123028

minimum gb energy = 0.5484346155281141 eV
minimum distance =  2.3764491530733 Angstroms
sigma value = 67


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

Energy: 0.7377253275176288
Energy: 0.5858440756955454
Energy: 0.5762380772445539
Energy: 0.73968123763724
Energy: 0.5872259193388777
Energy: 0.5765138516493594
Energy: 0.6618248569484825
Energy: 0.5815158472581936
Energy: 0.5053188388177234
Energy: 0.6642146640295686
Energy: 0.5816694466179582
Energy: 0.5054043983962806
Energy: 0.5959223530957749
Energy: 0.5711723555043704
Energy: 0.5096646396405892
Energy: 0.5957101198981247
Energy: 0.5719291849785674
Energy: 0.5102200274585423
Energy: 0.5949842688253859
Energy: 0.5072898961714449
Energy: 0.5073966772539537
Energy: 0.5950395641519156
Energy: 0.5904333902954223
Energy: 0.5072903665046429
Energy: 0.5796000515351116
Energy: 0.5585154938465298
Energy: 0.5580858530756608
Energy: 0.5798352261505112
Energy: 0.6450219165331017
Energy: 0.5811733894223993
Energy: 0.5811713879936192
Energy: 0.5960863546939966
Energy: 0.5814489375196575
Energy: 0.5816879534276752
Energy: 0.6540756531359229
Energy: 0.5821820466585623
Energy: 0.7675369263111383
Energy: 0.5808917852854711
Energy: 0.5075184917332329
Energy: 0.7695831851690805
Energy: 0.5806789865827189
Energy: 0.5069492568734154

minimum gb energy = 0.5053188388177234 eV
minimum distance =  2.44915777572609 Angstroms
sigma value = 3


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

Energy: 0.9921528030589849
Energy: 0.7975467078603076
Energy: 0.6920468462432102
Energy: 0.9936191098968513
Energy: 1.1434843914388957
Energy: 0.6945801246279376
Energy: 0.5970582144674479
Energy: 0.6924105536178645
Energy: 0.647655883030904
Energy: 0.7055024968573949
Energy: 0.6873396228321366
Energy: 0.65394773668665
Energy: 0.751836721985746
Energy: 0.7059089553355415
Energy: 0.6725897054565214
Energy: 0.7524052741973702
Energy: 0.6449445043110194
Energy: 0.7512304233777605
Energy: 0.6036966982999524
Energy: 0.5996897591492364
Energy: 0.5995275758759108
Energy: 0.6050385895965309
Energy: 0.6918038850184128
Energy: 0.5994179943529336
Energy: 0.6080974561126747
Energy: 0.6578862496192537
Energy: 0.6035293266383929
Energy: 0.6090618871766198
Energy: 0.6937019269267575
Energy: 0.5986393562305696
Energy: 0.7263655537104936
Energy: 0.6485431449052744
Energy: 0.7412201867380446
Energy: 0.7270799018281426
Energy: 0.6526188838418602
Energy: 0.7476811293857262
Energy: 0.5986755479162681
Energy: 0.6835608355548694
Energy: 0.6930329746690642
Energy: 0.6575404722702566
Energy: 0.6887017436891896
Energy: 0.6911729223855825
Energy: 0.9033741572044927
Energy: 0.7718484015842179
Energy: 0.6965847385856037
Energy: 0.8968058764237666
Energy: 0.7699730831823769
Energy: 0.68713008492037
Energy: 0.6023020498904199
Energy: 0.6918181823831513
Energy: 0.6897930612938352
Energy: 0.6033841498888518
Energy: 0.6919315082172461
Energy: 0.689426521152394
Energy: 0.8129815041748801
Energy: 0.6059475952253812
Energy: 0.6910309979609927
Energy: 0.814828252196862
Energy: 0.7972222282222163
Energy: 0.7076146820347318
Energy: 0.6830264814710884
Energy: 0.6856951883972373
Energy: 0.6930523708633467
Energy: 0.6840841626548367
Energy: 0.6908602765887981
Energy: 0.6936262146760603
Energy: 0.6991607505702536
Energy: 0.7214586809447021
Energy: 0.6709700366989773
Energy: 0.6871679886582784
Energy: 0.6059839616311614
Energy: 0.6552917507007828
Energy: 0.7532982649330515
Energy: 0.6002685354716283
Energy: 0.5991942052902806
Energy: 0.7501665558249312
Energy: 0.5982346837109414
Energy: 0.650162510055842
Energy: 0.6803506897905564
Energy: 0.6027145832181053
Energy: 0.5985900978296282
Energy: 0.6874205237767984
Energy: 0.6016984090421889
Energy: 0.5984784620484044
Energy: 0.8089587528271478
Energy: 0.6105465315332754
Energy: 0.6043622493164443
Energy: 0.8109162443191431
Energy: 0.6120296302022511
Energy: 0.7589009574386897
Energy: 0.6868990465919073
Energy: 0.6477750805634641
Energy: 0.6501697029564111
Energy: 0.6926090233661767
Energy: 0.7027255896356729
Energy: 0.6477633517826795
Energy: 0.8052478362297799
Energy: 0.6759431527290604
Energy: 0.6774973580671978
Energy: 0.8040136091274821
Energy: 0.650484134592671
Energy: 0.7582731756108585
Energy: 0.6427211740618327
Energy: 0.6940436551018718
Energy: 0.6533106776055612
Energy: 0.6416254423690455
Energy: 0.6956409348185656
Energy: 0.6492479409115816
Energy: 0.6868955015605903
Energy: 0.7544480822980201
Energy: 0.7301770665830943
Energy: 0.6917070890939151
Energy: 0.6837083407701753
Energy: 0.604849603312453
Energy: 0.8326133126350544
Energy: 0.6479536118078697
Energy: 0.6482622678667254
Energy: 0.7075795936819871
Energy: 0.6456947376923682
Energy: 0.6050069822495411
Energy: 0.6596374434633551
Energy: 0.6415546128124318
Energy: 0.6542038349007384
Energy: 0.6526642992639569
Energy: 0.6513145517303344
Energy: 0.6486484171579754
Energy: 0.7251132532000231
Energy: 0.7316298482538207
Energy: 0.7402914895843511
Energy: 0.7265200969418497
Energy: 0.7369928833985191
Energy: 0.7354927311200581
Energy: 0.6444420374853037
Energy: 0.6593881296295497
Energy: 0.6467238868174476
Energy: 0.6460361125385635
Energy: 0.6669358837162412
Energy: 0.6487088481212079
Energy: 0.6541241785392136
Energy: 0.6878073418062421
Energy: 0.6868350412085247
Energy: 0.654042706619433
Energy: 0.910972498928112
Energy: 0.6467127995030969
Energy: 0.6046118606365555
Energy: 0.6970056151886515
Energy: 0.6468565172431431
Energy: 0.6046051255556032
Energy: 0.6872747429052686
Energy: 0.6518931102470819
Energy: 0.8209502591423241
Energy: 0.7286692507797672
Energy: 0.7526617640635443
Energy: 0.6528581445270045
Energy: 0.756785363917855
Energy: 0.6906760833287312
Energy: 0.6079278069326868
Energy: 0.7261264939629783
Energy: 0.6866834698212816
Energy: 0.6512481111767356
Energy: 0.7300986685422703
Energy: 0.6923381413610495
Energy: 0.6074228053808087
Energy: 0.6468362856995878
Energy: 0.6481218309553949
Energy: 0.6036447355103916
Energy: 0.6885431731828412
Energy: 0.6026565589344213
Energy: 0.6142658865858434
Energy: 0.6713716146457047
Energy: 0.6722323523923178
Energy: 0.614243836119078
Energy: 0.8439267148753515
Energy: 0.6080829541262783
Energy: 0.5982632719221551
Energy: 0.6093664116323189
Energy: 0.5981975049749686
Energy: 0.6001348789209212
Energy: 0.6839114819098693
Energy: 0.5981398487025119
Energy: 0.705417899303164
Energy: 0.6895096500406932
Energy: 0.6567925751669018
Energy: 0.6057338506501068
Energy: 0.817131629751456
Energy: 0.6547428148769242
Energy: 0.607631853441521
Energy: 0.6939427122271344
Energy: 0.690317286483258
Energy: 0.6058809920994518
Energy: 0.6905341291864732
Energy: 0.6910417373779192
Energy: 0.8849768834945032
Energy: 0.72096514893189
Energy: 0.7140441612256787
Energy: 0.8866647613057534
Energy: 0.7222820027388474
Energy: 0.6573441310923077
Energy: 0.6454824818458631
Energy: 0.6944757480922973
Energy: 0.7168685524436573
Energy: 0.681258862905542
Energy: 0.5992746184921276
Energy: 0.6958699254805586
Energy: 0.6139724028032127
Energy: 0.6853799614328547
Energy: 0.6935351410036137
Energy: 0.6126336155709674
Energy: 0.6910273140180336
Energy: 0.6932010165319271
Energy: 0.724964455072199
Energy: 0.6058588253745324
Energy: 0.6918332341312454
Energy: 0.7247672911745835
Energy: 0.6062038885518419
Energy: 0.707239551042538
Energy: 0.6858068647428718
Energy: 0.7084880114517035
Energy: 0.6895593566116719
Energy: 0.6874323185379936
Energy: 0.6201328558148019
Energy: 0.6893199044194193
Energy: 0.7569362069240615
Energy: 0.6587872650805017
Energy: 0.6580596647357047
Energy: 0.7586693232723766
Energy: 0.6053898885204606
Energy: 0.6557646011419569
Energy: 0.6930529730290658
Energy: 0.6029816668744812
Energy: 0.5984386211876267
Energy: 0.6867438604075944
Energy: 0.6018429717230176
Energy: 0.5985145262653442
Energy: 0.8058492614239012
Energy: 0.6015175976210595
Energy: 0.6021905361396647
Energy: 0.7973588685530183
Energy: 0.613444951523807
Energy: 0.6048622994369997
Energy: 0.6864957884320975
Energy: 0.7664414869513064
Energy: 0.6013672042258842
Energy: 0.694947799090739
Energy: 0.680711793171336
Energy: 0.6490474290851443
Energy: 0.8140274738729806
Energy: 0.6962460674946972
Energy: 0.6947780428506538
Energy: 0.8150186970612131
Energy: 0.6912124341441243
Energy: 0.6493429529041319
Energy: 0.8098090748814444
Energy: 0.6481786341941282
Energy: 0.7212080277503327
Energy: 0.8091810821221254
Energy: 0.7119317029183874
Energy: 0.7304451821969665
Energy: 0.6464174146706863
Energy: 0.6499240182968707
Energy: 0.6493238413660852
Energy: 0.6871429424048879
Energy: 0.6880265908408963
Energy: 0.647672909453572
Energy: 0.8662999881366781
Energy: 0.6508391187736032
Energy: 0.6903323775618432
Energy: 0.8679066542576072
Energy: 0.6509846024637549
Energy: 0.6910147054013275
Energy: 0.6410248524350539
Energy: 0.6496793823558452
Energy: 0.6478362843318646
Energy: 0.6638466494243962
Energy: 0.6480502621540752
Energy: 0.6479599544355594
Energy: 0.7409308447695732
Energy: 0.7281916745592446
Energy: 0.7208077839099725
Energy: 0.7418909027883065
Energy: 0.7272375392398731
Energy: 0.7366525629570988
Energy: 0.6571946664351013
Energy: 0.7133142717259013
Energy: 0.6481313422608428
Energy: 0.6567821363569104
Energy: 0.6422958808692597
Energy: 0.649127790706386
Energy: 0.6428669632223811
Energy: 0.6005289624332532
Energy: 0.649955488627453
Energy: 0.6441704632123834
Energy: 0.6902898252565436
Energy: 0.6414740991394845
Energy: 0.7445186663789204
Energy: 0.6025626472459331
Energy: 0.6561022157650074
Energy: 0.7457215318259361
Energy: 0.6532788935095094
Energy: 0.6870233523427098
Energy: 0.5916172958101353
Energy: 0.6930590106034106
Energy: 0.6476311133846697
Energy: 0.7018211047486967
Energy: 0.6501880088087991
Energy: 0.6473650072386413

minimum gb energy = 0.5916172958101353 eV
minimum distance =  2.37359301451484 Angstroms
sigma value = 81


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

Energy: 1.143722444276799
Energy: 0.671578085757622
Energy: 0.6077875637481257
Energy: 1.0214677651148
Energy: 0.6837377258493786
Energy: 0.702298090305898
Energy: 0.6579046943467899
Energy: 0.6344361509431734
Energy: 0.6505809037008754
Energy: 0.6356744660675827
Energy: 0.6356910383812564
Energy: 0.6518131958735246
Energy: 0.8798414769888098
Energy: 0.7567233749174612
Energy: 0.745253446374529
Energy: 0.7269463122835674
Energy: 0.7669424249545974
Energy: 0.7714625868115698
Energy: 0.6769127357183115
Energy: 0.755930965918692
Energy: 0.6701380829323591
Energy: 0.6820674907249781
Energy: 0.6779532661540498
Energy: 0.5952221419787573
Energy: 0.7264200051945313
Energy: 0.6631346860919859
Energy: 0.640355533851234
Energy: 0.6794063716892764
Energy: 0.6344586848692096
Energy: 0.5954055599632532
Energy: 0.7660999926111403
Energy: 0.7002367366703487
Energy: 0.7176154409738418
Energy: 0.766242334575171
Energy: 0.695576900891106
Energy: 0.7263109353329258
Energy: 0.8042547825376714
Energy: 0.6744317578047035
Energy: 0.6965786417896433
Energy: 0.8036131431094672
Energy: 0.6758392209609514
Energy: 0.6932087163986701
Energy: 0.9064322548122374
Energy: 0.8000133579396685
Energy: 0.8786029433448287
Energy: 0.7392028794062551
Energy: 0.8007401746817586
Energy: 0.6908056857290084
Energy: 0.8044638063958118
Energy: 0.7007635607603657
Energy: 0.7173827420988925
Energy: 0.8038523519370864
Energy: 0.7109557643094084
Energy: 0.7115793818860866
Energy: 0.74011391265144
Energy: 0.638168543314336
Energy: 0.6374879895606733
Energy: 0.6996552984075557
Energy: 0.5864959091803061
Energy: 0.6041070724046012
Energy: 0.7027365750898219
Energy: 0.6286311251467357
Energy: 0.6281560877322967
Energy: 0.705158661045576
Energy: 0.5831223796274685
Energy: 0.7041388480591206
Energy: 0.6862792787861428
Energy: 0.7439983098042158
Energy: 0.7663316494253624
Energy: 0.6777090645711725
Energy: 0.7843368595342478
Energy: 0.7299813865779686
Energy: 0.7633931121152261
Energy: 0.7392695935982101
Energy: 0.7895478238243974
Energy: 0.7650571985028514
Energy: 0.7494682486649944
Energy: 0.7441163466566378
Energy: 0.6997161927402987
Energy: 0.6704325268594762
Energy: 0.6714390028557347
Energy: 0.7009670959617637
Energy: 0.7502526809373681
Energy: 0.6887012908982162
Energy: 0.968331081183662
Energy: 0.7644848055588213
Energy: 0.7635081021531583
Energy: 0.8941828850202421
Energy: 0.7714237176603282
Energy: 0.7634493025103768
Energy: 0.7502684482992168
Energy: 0.7732326441629578
Energy: 0.7710127190865406
Energy: 0.7505176828487645
Energy: 0.8098690843878319
Energy: 0.7630173121702373
Energy: 0.8693079522318841
Energy: 0.6915324574571716
Energy: 0.691327876136921
Energy: 0.868666760119366
Energy: 0.6906316710149916
Energy: 0.6916069387409665
Energy: 0.7946760485035199
Energy: 0.7949543582757214
Energy: 0.7895948743325368
Energy: 0.778462235633528
Energy: 0.7541594525865175
Energy: 0.7924573763150017
Energy: 0.5807526273768328
Energy: 0.817878163162659
Energy: 0.581946734732022
Energy: 0.5826154086853393
Energy: 0.818386194495821
Energy: 0.5819797001310999
Energy: 0.5821305958688581
Energy: 0.7302287144634249
Energy: 0.5841761644535832
Energy: 0.5819486718935886
Energy: 0.7305385493930854
Energy: 0.5845895631001621
Energy: 0.7938180222475602
Energy: 0.7237562363199822
Energy: 0.7911247814033436
Energy: 0.7748143731743146
Energy: 0.740056371465802
Energy: 0.7913883193400508
Energy: 0.79686193703873
Energy: 0.770116974257244
Energy: 0.754613219655752
Energy: 0.7968638257790279
Energy: 0.7615742689246234
Energy: 0.7443604521768505
Energy: 0.7461500851001786
Energy: 0.7618001124026489
Energy: 0.7602085063773081
Energy: 0.7474029753312766
Energy: 0.6829681633027934
Energy: 0.7393684638616801
Energy: 0.7708342127766563
Energy: 0.7619507737125597
Energy: 0.7620193685764669
Energy: 0.7714966398730461
Energy: 0.8267448523051377
Energy: 0.7599726402089615
Energy: 0.8239319638305663
Energy: 0.695886562543072
Energy: 0.6937556203379805
Energy: 0.8244437025236477
Energy: 0.7375709765302793
Energy: 0.6814243318684418
Energy: 0.7164543559869434
Energy: 0.8752307644127344
Energy: 0.7529461252053115
Energy: 0.7004520944838739
Energy: 0.8605426473124149
Energy: 0.6954741950933568
Energy: 0.7159005905241164
Energy: 0.7097937550804511
Energy: 0.7474966688806044
Energy: 0.7160076419063172
Energy: 0.8025133403494439
Energy: 0.7208739931666742
Energy: 0.8229629631175466
Energy: 0.5804414799725109
Energy: 0.7113514516808008
Energy: 0.8254819829568995
Energy: 0.6178409589544598
Energy: 0.704512542498613
Energy: 0.7307944951636556
Energy: 0.5910283925212809
Energy: 0.5897870439840945
Energy: 0.689679712370169
Energy: 0.628108204579108
Energy: 0.7108817004648488
Energy: 0.6771843639106574
Energy: 0.728825737534703
Energy: 0.7192071604388907
Energy: 0.6783033670496473
Energy: 0.6991933118014687
Energy: 0.7214416824122967
Energy: 0.7661168582160619
Energy: 0.8155109043612099
Energy: 0.7614918352939211
Energy: 0.7682584330310427
Energy: 0.8766576520782261
Energy: 0.7460721080513413
Energy: 0.6798096003677371
Energy: 0.6741774948677126
Energy: 0.6716989461250436
Energy: 0.6797786751964369
Energy: 0.671246812346725
Energy: 0.6693493121475461
Energy: 0.7057569747310926
Energy: 0.6393271200989552
Energy: 0.6996677644351389
Energy: 0.7081573344491834
Energy: 0.6755019592941325
Energy: 0.686589883151771
Energy: 0.7237889905479066
Energy: 0.7235872408388119
Energy: 0.6608971196568914
Energy: 0.5975537484995344
Energy: 0.7239052062835558
Energy: 0.622180349955223
Energy: 0.6852680010734078
Energy: 0.6510426960970986
Energy: 0.6948278321608032
Energy: 0.7487131607822439
Energy: 0.6989438788350879
Energy: 0.6181960221036434
Energy: 0.8059349072305333
Energy: 0.6891320908600442
Energy: 0.6898218189123924
Energy: 0.7951356808552454
Energy: 0.737956518531114
Energy: 0.8271833252976265
Energy: 0.8367455296911849
Energy: 0.6344448843557946
Energy: 0.6520762113337384
Energy: 0.636601897812468
Energy: 0.7590342848526587
Energy: 0.6446273774149965
Energy: 0.7775645035787725
Energy: 0.6720783802905981
Energy: 0.6050235787242597
Energy: 0.8258541439462986
Energy: 0.6720683187709798
Energy: 0.7028544967662219

minimum gb energy = 0.5804414799725109 eV
minimum distance =  2.40805990033762 Angstroms
sigma value = 43


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

Energy: 1.0921539262492055
Energy: 0.7607434313832955
Energy: 0.7204725829777389
Energy: 1.0894125368228762
Energy: 0.760858750461272
Energy: 0.6571857415717921
Energy: 0.7200237999684694
Energy: 0.6686588145185058
Energy: 0.709538438301626
Energy: 0.7127205101231054
Energy: 0.6657877710954456
Energy: 0.6756605718622798
Energy: 0.6200855668390094
Energy: 0.5903662777758911
Energy: 0.5924327372453613
Energy: 0.6202726094525797
Energy: 0.5917240568392284
Energy: 0.6109516586328586
Energy: 0.6101196340457458
Energy: 0.5905105643680939
Energy: 0.609040299343598
Energy: 0.6101679555416081
Energy: 0.663852859114304
Energy: 0.6090881982459648
Energy: 0.6093612394803078
Energy: 0.6567025901280136
Energy: 0.6481921726994767
Energy: 0.6095666534725278
Energy: 0.6110288727387669
Energy: 0.6096722994117932
Energy: 0.735644806880215
Energy: 0.6100744935003739
Energy: 0.6933292837823257
Energy: 0.7302125076224649
Energy: 0.6120170434953001
Energy: 0.7447533111076459
Energy: 0.6105381575420492
Energy: 0.6089616886076447
Energy: 0.6085901653244269
Energy: 0.6091569866813322
Energy: 0.6088636820459273
Energy: 0.6085810261030836
Energy: 0.8838678043628294
Energy: 0.6209671329617099
Energy: 0.6223045613693857
Energy: 0.8845656664580203
Energy: 0.6206654347962864
Energy: 0.8006650658976262
Energy: 0.6593140485424116
Energy: 0.6091091345807212
Energy: 0.6098451681683168
Energy: 0.652089065951221
Energy: 0.7317668694386783
Energy: 0.6752244406269096
Energy: 0.8182856223503099
Energy: 0.6097802530066664
Energy: 0.6736385050782021
Energy: 0.8189131211362458
Energy: 0.6095893957908172
Energy: 0.714198599139321
Energy: 0.5897366548497917
Energy: 0.7206441807555098
Energy: 0.7206272988300781
Energy: 0.5896359090564455
Energy: 0.6074956251334357
Energy: 0.7089090138818515
Energy: 0.6964638446524902
Energy: 0.6891340464174731
Energy: 0.6093828574033813
Energy: 0.5910914312666253
Energy: 0.8262742589993199
Energy: 0.6092422868092795
Energy: 0.941767502221046
Energy: 0.6096240608786809
Energy: 0.6512588952268118
Energy: 0.5922767293125537
Energy: 0.6657509848657247
Energy: 0.6267734050039679
Energy: 0.5887329326926345
Energy: 0.6095922873852431
Energy: 0.6755651669398247
Energy: 0.5887747424775155
Energy: 0.6588607839174428
Energy: 0.7087580197479009
Energy: 0.5894816632154058
Energy: 0.7518692748006222
Energy: 0.5906524577518321
Energy: 0.5894717645449437
Energy: 0.7411258249430588
Energy: 0.6850173462093109
Energy: 0.5885079873823584
Energy: 0.589770798414943
Energy: 0.5887220177464697
Energy: 0.5900032976992294
Energy: 0.6697140464385987
Energy: 0.5885671098066252
Energy: 0.5888688544188233
Energy: 0.5891565269403584
Energy: 0.589417263864694
Energy: 0.588801019902416
Energy: 0.7627802825770019
Energy: 0.5891934274357069
Energy: 0.7066557194321119
Energy: 0.7221570265111995
Energy: 0.668845897784125
Energy: 0.7059290903707468
Energy: 0.6584988365257527
Energy: 0.6674465134161928
Energy: 0.6112364753630909
Energy: 0.6651587393787407
Energy: 0.6679902182434819
Energy: 0.6196308126236105
Energy: 0.7166767199300147
Energy: 0.6083102677741701
Energy: 0.6192441918556171
Energy: 0.6669149326900708
Energy: 0.6726247712438177
Energy: 0.7001838492750697
Energy: 0.7188482938426689
Energy: 0.609236420355707
Energy: 0.7027006610565198
Energy: 0.6701859718553796
Energy: 0.723168522117127
Energy: 0.7030409591277729
Energy: 0.6191619221231528
Energy: 0.7247027962907069
Energy: 0.7477283497272272
Energy: 0.7361792262255026
Energy: 0.7364685016654702
Energy: 0.7482030215118654
Energy: 0.6276079387503044
Energy: 0.736672044001958
Energy: 0.6595127631705704
Energy: 0.6686181976042291
Energy: 0.7225710876161345
Energy: 0.659370888029276
Energy: 0.6584122220972518
Energy: 0.7222155776685139
Energy: 0.8124669902720847
Energy: 0.5892284448673453
Energy: 0.6294473147852581
Energy: 0.729505175338452
Energy: 0.5887255199615364
Energy: 0.6760235652775489
Energy: 0.6725469459620668
Energy: 0.5886387121458687
Energy: 0.5886958648701914
Energy: 0.6726955641098624
Energy: 0.5887117066126205
Energy: 0.5887341794731817
Energy: 0.720103357831226
Energy: 0.5894454292062659
Energy: 0.5891022653371445
Energy: 0.6111114394670956
Energy: 0.5893957785551137
Energy: 0.5897068054053792
Energy: 0.661928211862494
Energy: 0.5887664269422566
Energy: 0.75268422380204
Energy: 0.6106170988636308
Energy: 0.7226750448217931
Energy: 0.6701927897654619
Energy: 0.6623665633796775
Energy: 0.6999800399708503
Energy: 0.6747263618752183
Energy: 0.6577006392261077
Energy: 0.605542289954403
Energy: 0.6096354327957859
Energy: 0.7033642172526585
Energy: 0.6088669137711809
Energy: 0.6992288465973504
Energy: 0.7034601963878567
Energy: 0.6651420305249315
Energy: 0.7586169516420104
Energy: 0.7115444172452217
Energy: 0.6496417347338724
Energy: 0.7013399953940855
Energy: 0.6768624436700882
Energy: 0.588996039791762
Energy: 0.6755354311673305
Energy: 0.5950006138374959
Energy: 0.7899398405338298
Energy: 0.7472120597574982
Energy: 0.6532519470002289
Energy: 0.8479778472100328
Energy: 0.7153895500710313

minimum gb energy = 0.5885079873823584 eV
minimum distance =  2.32963171111208 Angstroms
sigma value = 57


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

Energy: 0.7701965303200061
Energy: 0.6467658625896989
Energy: 0.6842072822157298
Energy: 0.7712433721212962
Energy: 0.6464080319868919
Energy: 0.6841193574803506
Energy: 0.6503180717013766
Energy: 0.6203107069835231
Energy: 0.6155237143599724
Energy: 0.6195480820308502
Energy: 0.6206280031062317
Energy: 0.7028275351882121
Energy: 0.6329730364229764
Energy: 0.5520658705692775
Energy: 0.6502864549872692
Energy: 0.6329254052476396
Energy: 0.7659025369021554
Energy: 0.651404449061372
Energy: 0.6155616199730594
Energy: 0.5523816857494163
Energy: 0.5519207945231027
Energy: 0.616423503249369
Energy: 0.6716241645587689
Energy: 0.6141138593693087
Energy: 0.6139592086831364
Energy: 0.5798660602293035
Energy: 0.5788465724206263
Energy: 0.6139791496764104
Energy: 0.6681605443022207
Energy: 0.579501996207738
Energy: 0.645381116797255
Energy: 0.61671432633807
Energy: 0.577258451494866
Energy: 0.6885027084874082
Energy: 0.6652555761141905
Energy: 0.6669954651511191
Energy: 0.6672757463493002
Energy: 0.6139561212357963
Energy: 0.6144524477438403
Energy: 0.6677275321383809
Energy: 0.6147485134020914
Energy: 0.6143966761504195
Energy: 0.7249712887759929
Energy: 0.711132577640037
Energy: 0.7115190279679161
Energy: 0.7255317693306104
Energy: 0.6219205468495509
Energy: 0.7104885357252503
Energy: 0.6201147555796227
Energy: 0.6151311443677302
Energy: 0.6154732680792282
Energy: 0.6189827061568198
Energy: 0.64744259141802
Energy: 0.6163081618777361
Energy: 0.7547948201722025
Energy: 0.6134716655527718
Energy: 0.6320894672950468
Energy: 0.755327121200873
Energy: 0.732693788366714
Energy: 0.6328453683115748
Energy: 0.6470169417054453
Energy: 0.6954446521116971
Energy: 0.7054480281537392
Energy: 0.6476888690848153
Energy: 0.6166561602742218
Energy: 0.6166958889578694
Energy: 0.5511246847031203
Energy: 0.6647767789388559
Energy: 0.6336746731287364
Energy: 0.5527993150691727
Energy: 0.6474415560069137
Energy: 0.6657482592807636
Energy: 0.5528493007339448
Energy: 0.6311900787722832
Energy: 0.6651490656221605
Energy: 0.67073251658413
Energy: 0.6328851601377281
Energy: 0.6655294796323086
Energy: 0.6463685027362072
Energy: 0.6203491195647702
Energy: 0.703051269370337
Energy: 0.6463900712805284
Energy: 0.6203616985649542
Energy: 0.614969088231873
Energy: 0.6220169382045818
Energy: 0.7339193800952287
Energy: 0.7332107736968614
Energy: 0.6219708114295867
Energy: 0.7724052709751147
Energy: 0.7373086281349063
Energy: 0.6122857559487607
Energy: 0.6268360416410832
Energy: 0.6255569784254396
Energy: 0.6136304396687353
Energy: 0.6688278116169929
Energy: 0.6125510611519022
Energy: 0.6137852422490664
Energy: 0.7421668168265312
Energy: 0.6677092712702967
Energy: 0.613793516966632
Energy: 0.6159391078404278
Energy: 0.5813435761735719
Energy: 0.6177187028032209
Energy: 0.614901248249342
Energy: 0.6172972992361616
Energy: 0.6173431088582311
Energy: 0.6150159937083648
Energy: 0.5773878972406191
Energy: 0.6206756943861161
Energy: 0.6178943476270733
Energy: 0.6177872006087748
Energy: 0.6209309181145304
Energy: 0.6174610106390557
Energy: 0.6179828915289463
Energy: 0.6201972933232082
Energy: 0.813688409698819
Energy: 0.7107833630890459
Energy: 0.6201969949821857
Energy: 0.7412233321653636
Energy: 0.6165708514087026
Energy: 0.6218693365959922
Energy: 0.669965280145937
Energy: 0.671590039012288
Energy: 0.6221540107638868
Energy: 0.6213612837180752
Energy: 0.6160220415525585
Energy: 0.7061444933424524
Energy: 0.7022176909355737
Energy: 0.7021105387361335
Energy: 0.7055096309108608
Energy: 0.7327396584906565
Energy: 0.7038254838419361
Energy: 0.6482409926783134
Energy: 0.6204006067335148
Energy: 0.7022701079702851
Energy: 0.6476951672806558
Energy: 0.6204451155643359
Energy: 0.702190760889705
Energy: 0.5528908549438774
Energy: 0.6348913027156527
Energy: 0.6649923751849834
Energy: 0.670766271582765
Energy: 0.7321501999193918
Energy: 0.6652170378677877

minimum gb energy = 0.5511246847031203 eV
minimum distance =  2.39837923172114 Angstroms
sigma value = 17


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

Energy: 0.860837535347879
Energy: 0.7337908117438312
Energy: 0.7784795090939024
Energy: 0.8611147430096672
Energy: 0.7332963102358708
Energy: 0.7579379960075943
Energy: 0.6979045792425077
Energy: 0.6565684123920116
Energy: 0.7382048149614135
Energy: 0.6622191968277291
Energy: 0.6566600213711563
Energy: 0.7392547174430351
Energy: 0.8018115448893673
Energy: 0.6295034820850874
Energy: 0.5911752714265404
Energy: 0.8028227405752324
Energy: 0.6295526201479552
Energy: 0.5914356005616737
Energy: 0.6571119475374998
Energy: 0.611398713471554
Energy: 0.5912246390626066
Energy: 0.657536606999059
Energy: 0.6436085224495426
Energy: 0.6569749783783152
Energy: 0.5815554032221477
Energy: 0.6471933739453578
Energy: 0.6449394818681788
Energy: 0.5820887539407479
Energy: 0.5764519137330906
Energy: 0.6630291503191859
Energy: 0.593523567548364
Energy: 0.5748121424288546
Energy: 0.5762261405204272
Energy: 0.666322250854939
Energy: 0.5747153167703574
Energy: 0.6321394811267141
Energy: 0.5740492690031853
Energy: 0.5748608737692339
Energy: 0.5745429924441937
Energy: 0.5744289685071452
Energy: 0.5768470592868961
Energy: 0.5749851200860994
Energy: 0.7122415099240123
Energy: 0.6796415800749036
Energy: 0.6964354343845107
Energy: 0.7136750405232157
Energy: 0.6183073510313303
Energy: 0.6960157508112856
Energy: 0.5754894746926641
Energy: 0.6253790347194021
Energy: 0.6282030467879477
Energy: 0.5768462014476542
Energy: 0.609614824737571
Energy: 0.574051632532814
Energy: 0.574723532396486
Energy: 0.5759708994759075
Energy: 0.5765641696327051
Energy: 0.574781893731926
Energy: 0.5946096092018943
Energy: 0.5748285182598483
Energy: 0.7332728539843795
Energy: 0.6358847709609536
Energy: 0.6449928015579104
Energy: 0.7029867564067291
Energy: 0.694120101270473
Energy: 0.6446720170380528
Energy: 0.6538653202958746
Energy: 0.6548234044233369
Energy: 0.6555168746080775
Energy: 0.6539998431221977
Energy: 0.6552295097220869
Energy: 0.6548223592601233
Energy: 0.7864444352253023
Energy: 0.7022073120407163
Energy: 0.6560196118440699
Energy: 0.6526584938541926
Energy: 0.804489039660185
Energy: 0.6563703480203555
Energy: 0.7387706171101532
Energy: 0.6557019596760452
Energy: 0.6549133516628173
Energy: 0.7378843412275821
Energy: 0.6556061984544467
Energy: 0.6558083231746864
Energy: 0.7349280149138671
Energy: 0.6611794012853136
Energy: 0.7033444089488107
Energy: 0.7346225393673591
Energy: 0.6531083301239272
Energy: 0.703096443804243
Energy: 0.7819480562649124
Energy: 0.6823717807896372
Energy: 0.7449285280012992
Energy: 0.7823664544395389
Energy: 0.6636487592668292
Energy: 0.6752991698711737
Energy: 0.7149838664435851
Energy: 0.7018478656184337
Energy: 0.7162445116524983
Energy: 0.7154319400101257
Energy: 0.8029513202048385
Energy: 0.7164006374762423

minimum gb energy = 0.5740492690031853 eV
minimum distance =  2.3785788593095 Angstroms
sigma value = 17


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

Energy: 0.8842281297188994
Energy: 0.7075001374792265
Energy: 0.6274757784592141
Energy: 0.7276203701498919
Energy: 0.7074249162773274
Energy: 0.6296078421246571
Energy: 0.7260058111443112
Energy: 0.6548068811516574
Energy: 0.6488245384656087
Energy: 0.7101044138896975
Energy: 0.6529923021267108
Energy: 0.6943178618131949
Energy: 0.7437492969686492
Energy: 0.5585095267305782
Energy: 0.601647738203145
Energy: 0.7449315434203049
Energy: 0.61572059788098
Energy: 0.6024259893421319
Energy: 0.6615100566841454
Energy: 0.5957713869627905
Energy: 0.5921932200538048
Energy: 0.6614736706315104
Energy: 0.6800897731942728
Energy: 0.5920009119764923
Energy: 0.6361793516859234
Energy: 0.6039259463516102
Energy: 0.5834035613363568
Energy: 0.6635091260375997
Energy: 0.638695769331322
Energy: 0.6578263836098381
Energy: 0.7621440916694797
Energy: 0.5656835810289103
Energy: 0.55579952146645
Energy: 0.586399340268353
Energy: 0.5657839615373079
Energy: 0.5568445706244882
Energy: 0.6178963919221577
Energy: 0.5742641092995864
Energy: 0.5664371624740325
Energy: 0.6098604501932762
Energy: 0.5712841783148005
Energy: 0.60559839811958
Energy: 0.6737967335537188
Energy: 0.606458406296427
Energy: 0.5904847685761306
Energy: 0.674210098729377
Energy: 0.5900839408797048
Energy: 0.5861469457020401
Energy: 0.5337361680309428
Energy: 0.6082428767354922
Energy: 0.5314737205453912
Energy: 0.5339871444490255
Energy: 0.5661191790735807
Energy: 0.5319598489507013
Energy: 0.5310942082726055
Energy: 0.6429708798900117
Energy: 0.6180016582840651
Energy: 0.5313097959259911
Energy: 0.6166840170461423
Energy: 0.6190409779215714
Energy: 0.6881088158370207
Energy: 0.5322516082933345
Energy: 0.6159047534672565
Energy: 0.6027957431830138
Energy: 0.5316347532438196
Energy: 0.617178309979383
Energy: 0.5666825926478909
Energy: 0.5398213685945561
Energy: 0.5320021134038448
Energy: 0.566819420803573
Energy: 0.5359610534988285
Energy: 0.5316329894254049
Energy: 0.5670257241797078
Energy: 0.6048923343930933
Energy: 0.6080663494362085
Energy: 0.5658843525658653
Energy: 0.6757453814721435
Energy: 0.6094873826779603
Energy: 0.5655395428653676
Energy: 0.6385735835885157
Energy: 0.6062803706878935
Energy: 0.566373977967133
Energy: 0.6095209952240339
Energy: 0.565590258837399
Energy: 0.5682226236408392
Energy: 0.6231733102717348
Energy: 0.621248491505565
Energy: 0.5679579654011632
Energy: 0.6353495859959596
Energy: 0.569787624247974
Energy: 0.6949004677133899
Energy: 0.6372160934468427
Energy: 0.6543554382484421
Energy: 0.639201153684684
Energy: 0.6647649946059724
Energy: 0.6275446016047791
Energy: 0.6761918595563622
Energy: 0.6476910380880221
Energy: 0.6491324173052552
Energy: 0.6480686693802689
Energy: 0.6702471670391554
Energy: 0.5654941429317163
Energy: 0.6543354142837767
Energy: 0.6798523375597092
Energy: 0.6574864750148538
Energy: 0.655668238621478
Energy: 0.744995094472455
Energy: 0.5816890230342263
Energy: 0.7039021402151753
Energy: 0.6453847892021265
Energy: 0.6672822251249348
Energy: 0.704665298319116
Energy: 0.699866272469231
Energy: 0.6298350227145478
Energy: 0.7447604383897797
Energy: 0.6376253803890666
Energy: 0.6375096942466761
Energy: 0.7378791555499172
Energy: 0.6382264073341206
Energy: 0.7302518376444684
Energy: 0.722539964048283
Energy: 0.6483072891479641
Energy: 0.6479954197494834
Energy: 0.7238619676635152
Energy: 0.6549781932557164
Energy: 0.648319809775978
Energy: 0.7310352475739296
Energy: 0.68217515997041
Energy: 0.7432642707178018
Energy: 0.5908897001749082
Energy: 0.7481773992737198
Energy: 0.6048978985162132
Energy: 0.656344028884033
Energy: 0.6540365617274172
Energy: 0.6539862458163532
Energy: 0.6568463070883266
Energy: 0.7266045974462885
Energy: 0.7166755402418039
Energy: 0.7420128146781598
Energy: 0.6763145473630456
Energy: 0.6550368036248505
Energy: 0.7431185331186252
Energy: 0.6374689047094959
Energy: 0.6576660508668506
Energy: 0.661805960448112
Energy: 0.6101318811190536
Energy: 0.6087961658760541
Energy: 0.6619359332203492
Energy: 0.589293056236336
Energy: 0.5928763647775265
Energy: 0.648205483888243
Energy: 0.6271015580499814
Energy: 0.62930171057557
Energy: 0.6494062425372592
Energy: 0.6349904170722421
Energy: 0.6330138603076186
Energy: 0.7580191860958195
Energy: 0.5818217997200826
Energy: 0.5818051075925638
Energy: 0.599691299518941
Energy: 0.701509334246085
Energy: 0.5565348045503843
Energy: 0.5908394893480181
Energy: 0.5746470930817139
Energy: 0.5666838041188932
Energy: 0.5676105827212125
Energy: 0.570985857888044
Energy: 0.5665340697391824
Energy: 0.6774288279486654
Energy: 0.5985705693012884
Energy: 0.6138165854246929
Energy: 0.6782185916461386
Energy: 0.5661492607140678
Energy: 0.6012159415446896
Energy: 0.5412569018366876
Energy: 0.6067913009224235
Energy: 0.5482788207520586
Energy: 0.5318726055309431
Energy: 0.5805542946704118
Energy: 0.577049860371191
Energy: 0.535282025246271
Energy: 0.6169857087504631
Energy: 0.6164632552491309
Energy: 0.5362951080637618
Energy: 0.6060665312317134
Energy: 0.57826816695025
Energy: 0.6887929675966644
Energy: 0.6062745682461705
Energy: 0.6042417558578167
Energy: 0.688836280261269
Energy: 0.6169816866155746
Energy: 0.6029036965916106
Energy: 0.5753835306674325
Energy: 0.5362405196088841
Energy: 0.5320120580228752
Energy: 0.5762993723866189
Energy: 0.5338530919804142
Energy: 0.5317143252507053
Energy: 0.7314871999047287
Energy: 0.5339618210958975
Energy: 0.619580363026681
Energy: 0.6129214601444094
Energy: 0.5319025702674217
Energy: 0.6200469964796903
Energy: 0.5724178846703455
Energy: 0.6378762085475344
Energy: 0.6351861053622769
Energy: 0.5736792184489191
Energy: 0.6090511035913811
Energy: 0.6355531422213481
Energy: 0.5768506909274818
Energy: 0.5471907955886273
Energy: 0.5805397083299392
Energy: 0.5688742876457178
Energy: 0.6048868067770373
Energy: 0.5691079358560794
Energy: 0.7007545322745814
Energy: 0.5798667717756277
Energy: 0.583426552266401
Energy: 0.698804072217398
Energy: 0.6352919827233552
Energy: 0.5811530526646501
Energy: 0.6274093929879644
Energy: 0.6565098003977861
Energy: 0.6496495329847644
Energy: 0.6308456313754032
Energy: 0.6530488742247612
Energy: 0.6488508934867302
Energy: 0.8190663347775147
Energy: 0.681327081206389
Energy: 0.5825299987014035
Energy: 0.614842411836717
Energy: 0.7440962399157947
Energy: 0.6397765740302129
Energy: 0.7019602597491361
Energy: 0.6566210213607547
Energy: 0.6482556087729658
Energy: 0.7022248970494562
Energy: 0.668544397559288
Energy: 0.6482717834639042
Energy: 0.7314255595117432
Energy: 0.577235810002185
Energy: 0.6480223358758816
Energy: 0.7323007781583106
Energy: 0.5797799730200898
Energy: 0.6786308601464264
Energy: 0.7419861188944453
Energy: 0.6648509879975016
Energy: 0.6514135598370185
Energy: 0.7431381784998933
Energy: 0.6626007683681664
Energy: 0.6521294459125131
Energy: 0.6565210196716671
Energy: 0.6825659663441657
Energy: 0.6544770605938207
Energy: 0.6570026747446253
Energy: 0.6832893564937645
Energy: 0.7055769787419646

minimum gb energy = 0.5310942082726055 eV
minimum distance =  2.36416240936133 Angstroms
sigma value = 57


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

Energy: 0.7762420056483436
Energy: 0.9124948091621549
Energy: 0.6101115705568829
Energy: 0.7777905000936267
Energy: 0.9086436575567018
Energy: 0.6122100249326782
Energy: 0.6846838542170729
Energy: 0.6166074423080515
Energy: 0.6245063035333084
Energy: 0.669092020401946
Energy: 0.6350267331476295
Energy: 0.6503037335190358
Energy: 0.7083106267124458
Energy: 0.5392001017366721
Energy: 0.5884845294243525
Energy: 0.7094510152372496
Energy: 0.5316824392773506
Energy: 0.5848024795684665
Energy: 0.6186493528975908
Energy: 0.5768078264464667
Energy: 0.5809348928500139
Energy: 0.620000339579235
Energy: 0.5810122618664316
Energy: 0.5812731026210112
Energy: 0.5926796761771149
Energy: 0.5669104325392168
Energy: 0.5868370210942113
Energy: 0.5934761102875478
Energy: 0.6073116065029531
Energy: 0.5617048198249195
Energy: 0.7124498942752466
Energy: 0.5580280331241044
Energy: 0.5383610805835121
Energy: 0.6456339489190082
Energy: 0.5578652150111054
Energy: 0.538730841309997
Energy: 0.6591687484904564
Energy: 0.5594248783952952
Energy: 0.5644323834138469
Energy: 0.564620134294863
Energy: 0.5584232472428048
Energy: 0.5857799249207702
Energy: 0.6400909043368694
Energy: 0.5674004706737322
Energy: 0.5724578504854502
Energy: 0.6401805190454569
Energy: 0.5583182394686751
Energy: 0.5545789683927395
Energy: 0.5164903377988522
Energy: 0.5652061172611573
Energy: 0.513002134954964
Energy: 0.5172308194711627
Energy: 0.5251623297138706
Energy: 0.5263649641038433
Energy: 0.5257352339354635
Energy: 0.5693254526184287
Energy: 0.5840853583314786
Energy: 0.5117016073868017
Energy: 0.5565013850023661
Energy: 0.5823637197910918
Energy: 0.6708566718601865
Energy: 0.4937475838110378
Energy: 0.5798356694419763
Energy: 0.6332152377765009
Energy: 0.5062564505808557
Energy: 0.5765719431274432
Energy: 0.4985097962212065
Energy: 0.5007785878351961
Energy: 0.5047781451740381
Energy: 0.5216960371599152
Energy: 0.4996939265110259
Energy: 0.5386533078155618
Energy: 0.6507490920040002
Energy: 0.558133654600418
Energy: 0.5664110874732418
Energy: 0.6518184822231289
Energy: 0.6168244686957542
Energy: 0.5800542549006428
Energy: 0.49383852811965834
Energy: 0.5717134534592878
Energy: 0.4929318105770064
Energy: 0.4954270062980642
Energy: 0.5058815505624271
Energy: 0.5041651916898847
Energy: 0.4928837972823413
Energy: 0.5817209736309386
Energy: 0.5826138888421138
Energy: 0.492989081334417
Energy: 0.5362431499910355
Energy: 0.5801219160298182
Energy: 0.6436916069951559
Energy: 0.5245094432810499
Energy: 0.5788721020046217
Energy: 0.5695032714202443
Energy: 0.5212373619873392
Energy: 0.57829758903759
Energy: 0.5140427010839549
Energy: 0.5226611532562162
Energy: 0.513882028171754
Energy: 0.5580575298045064
Energy: 0.5202425313614063
Energy: 0.5489897392341
Energy: 0.55407728730165
Energy: 0.5566640627954609
Energy: 0.5573633505790446
Energy: 0.5540921942778123
Energy: 0.6409896366028073
Energy: 0.5619352130742419
Energy: 0.5581643757613117
Energy: 0.5706493070807062
Energy: 0.5537742275292457
Energy: 0.5595698976099726
Energy: 0.6460032283303963
Energy: 0.5664456086747194
Energy: 0.6731533112587098
Energy: 0.5682852169501278
Energy: 0.5633000710565766
Energy: 0.673836567597496
Energy: 0.5614160509798507
Energy: 0.568276391132441
Energy: 0.6567032597419423
Energy: 0.6199632632924706
Energy: 0.6110255136659455
Energy: 0.6015357971502038
Energy: 0.6297379914533039
Energy: 0.6083342826872835
Energy: 0.7509890620417161
Energy: 0.6546427248259661
Energy: 0.5892251803868543
Energy: 0.5900971057640677
Energy: 0.6511806563052388
Energy: 0.5868801897334432
Energy: 0.616106639100079
Energy: 0.6601764531211295
Energy: 0.6438660400001006
Energy: 0.6146641189403939
Energy: 0.7074674245895718
Energy: 0.6553280867406737
Energy: 0.6658529683007801
Energy: 0.5744081621736885
Energy: 0.6489825663274482
Energy: 0.6666901757029463
Energy: 0.6437984397194876
Energy: 0.6279717789603804
Energy: 0.7111071166983569
Energy: 0.6099142114309272
Energy: 0.5581051058699772
Energy: 0.7117909270364177
Energy: 0.6075321071776247
Energy: 0.6433547687710106
Energy: 0.6883012150934191
Energy: 0.6288489065543519
Energy: 0.6294596656721183
Energy: 0.6867963574559645
Energy: 0.626272531993308
Energy: 0.6284756274269971
Energy: 0.7817007382627527
Energy: 0.6590098517273262
Energy: 0.5912970773572994
Energy: 0.5808181635398975
Energy: 0.7123673147479135
Energy: 0.5887377816555546

minimum gb energy = 0.4928837972823413 eV
minimum distance =  2.36750798053658 Angstroms
sigma value = 43


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

Energy: 0.6959633152952955
Energy: 0.6240845134970215
Energy: 0.557789001389945
Energy: 0.5242729732262201
Energy: 0.6240104122079502
Energy: 0.5107310877329491
Energy: 0.556665176926973
Energy: 0.528779462792946
Energy: 0.5372648105978859
Energy: 0.5772954546095175
Energy: 0.5473781533546684
Energy: 0.5349735198537483
Energy: 0.6045665838904944
Energy: 0.4935169944194064
Energy: 0.5069353176632131
Energy: 0.6055896896686431
Energy: 0.4934830131617723
Energy: 0.4966836674052766
Energy: 0.5484035870294872
Energy: 0.5056450922292832
Energy: 0.4919117694665345
Energy: 0.5489635136537436
Energy: 0.4786497239178832
Energy: 0.521015184709945
Energy: 0.5426398548758725
Energy: 0.5032264983993522
Energy: 0.49045724779416555
Energy: 0.5426845086196982
Energy: 0.5675768898364428
Energy: 0.5100780989891015
Energy: 0.6513330269337174
Energy: 0.5002110075459987
Energy: 0.46874718381637215
Energy: 0.5844734145941586
Energy: 0.5001496544238064
Energy: 0.4954805641258846
Energy: 0.5544503314684796
Energy: 0.4977131478507897
Energy: 0.4977156178513896
Energy: 0.49449486747092375
Energy: 0.5031451719320379
Energy: 0.5262587499819759
Energy: 0.5625877878801193
Energy: 0.47960993079739145
Energy: 0.46816746083182575
Energy: 0.5632684689732901
Energy: 0.4918502172189824
Energy: 0.47221985777434117
Energy: 0.463286523000503
Energy: 0.47294992884133263
Energy: 0.46117217560971663
Energy: 0.46472476916767974
Energy: 0.47756348954694344
Energy: 0.461399638571691
Energy: 0.4605878041966006
Energy: 0.46647506266734157
Energy: 0.46716221749137565
Energy: 0.460585949727023
Energy: 0.46667834175841616
Energy: 0.48254914704201507
Energy: 0.6184468392343597
Energy: 0.4374184081144943
Energy: 0.456947859302038
Energy: 0.5619222128622068
Energy: 0.43735472869781616
Energy: 0.4906131475704578
Energy: 0.5469192290687215
Energy: 0.43741690215930035
Energy: 0.4371162470340546
Energy: 0.4858494557558792
Energy: 0.4430323192664021
Energy: 0.49155058794174594
Energy: 0.5545343617874084
Energy: 0.4866845186455105
Energy: 0.48682437495358116
Energy: 0.5563922304312305
Energy: 0.48269191491144436
Energy: 0.4873622029243301
Energy: 0.42302690315983194
Energy: 0.45886579545709055
Energy: 0.42270216772018554
Energy: 0.42432497979117895
Energy: 0.5365755700507481
Energy: 0.4230963098722908
Energy: 0.4234991602795089
Energy: 0.4584055108264866
Energy: 0.45874240328447463
Energy: 0.42329534690092496
Energy: 0.4621136431236536
Energy: 0.4576893856474974
Energy: 0.5954321049481647
Energy: 0.4164763602541842
Energy: 0.4166569740103117
Energy: 0.4801351878443439
Energy: 0.41629617230745486
Energy: 0.4693800144830553
Energy: 0.5409996591533648
Energy: 0.41654251136835013
Energy: 0.4163105781642983
Energy: 0.4789629795267396
Energy: 0.41652200449317206
Energy: 0.482709927300578
Energy: 0.5423443488072517
Energy: 0.46486282981963084
Energy: 0.47420413096747704
Energy: 0.5451459962819702
Energy: 0.4705430473405362
Energy: 0.47876386412666855
Energy: 0.416520984524294
Energy: 0.5331813327431502
Energy: 0.41612379105469977
Energy: 0.4178088068812058
Energy: 0.532860629564161
Energy: 0.4162439860005018
Energy: 0.5403408435720896
Energy: 0.4698992857509512
Energy: 0.4693644915771047
Energy: 0.5427121891615726
Energy: 0.4743556262682134
Energy: 0.48150559208636623
Energy: 0.5579752410859439
Energy: 0.42305851817369283
Energy: 0.42317535987751304
Energy: 0.4809744283116237
Energy: 0.42328123910652354
Energy: 0.4822716463253318
Energy: 0.5410230173086701
Energy: 0.42316488368247784
Energy: 0.4231811381190217
Energy: 0.46790140640726047
Energy: 0.4228850719389738
Energy: 0.47495173653797484
Energy: 0.43713430933246306
Energy: 0.4654169889196447
Energy: 0.4601035064446986
Energy: 0.437211117825601
Energy: 0.4591233603688966
Energy: 0.45699115710500754
Energy: 0.4373038576960062
Energy: 0.5230981430888947
Energy: 0.4370114496784365
Energy: 0.43862159818677177
Energy: 0.461565829812505
Energy: 0.43733039648251426
Energy: 0.5546856432341175
Energy: 0.49332843982898794
Energy: 0.4809772146800943
Energy: 0.555985409619382
Energy: 0.4886465525668047
Energy: 0.4796336329439829
Energy: 0.5524792759222145
Energy: 0.4611628231523989
Energy: 0.4613716036874975
Energy: 0.49949222327774334
Energy: 0.4668702581730165
Energy: 0.5062024014253007
Energy: 0.6356138205726594
Energy: 0.46150117701159743
Energy: 0.4615383347253113
Energy: 0.5780017400996184
Energy: 0.46157174585400096
Energy: 0.4808499609840171
Energy: 0.4984864810863266
Energy: 0.4787319257922663
Energy: 0.48644580184013686
Energy: 0.4985916190617335
Energy: 0.520323185074015
Energy: 0.48186082537347885
Energy: 0.5027321296793502
Energy: 0.4885026743402419
Energy: 0.49833533603525837
Energy: 0.5041133951263272
Energy: 0.4995836077112129
Energy: 0.4981849703428525
Energy: 0.5786678502426074
Energy: 0.49199087283141957
Energy: 0.48032300820629853
Energy: 0.579558133987694
Energy: 0.49244222277732264
Energy: 0.4714891189242324
Energy: 0.563412835212553
Energy: 0.5291246437819609
Energy: 0.5284891498532037
Energy: 0.5256943091159447
Energy: 0.5492470887440071
Energy: 0.530900406013326
Energy: 0.6738732696902157
Energy: 0.5637738711996669
Energy: 0.5197828772086827
Energy: 0.6029280019118524
Energy: 0.5634224254372339
Energy: 0.4835996301122202
Energy: 0.5450633822162746
Energy: 0.5578862320608217
Energy: 0.5564437379716431
Energy: 0.5298139168349434
Energy: 0.5877651414938051
Energy: 0.5558826136406788
Energy: 0.573951374206358
Energy: 0.528955679310779
Energy: 0.5127758978434837
Energy: 0.5721424515426176
Energy: 0.5062956226291876
Energy: 0.5707451139382396
Energy: 0.6133190331038846
Energy: 0.5049496503272308
Energy: 0.5212325937355994
Energy: 0.6101015800851741
Energy: 0.5041928337194095
Energy: 0.5227895571605915
Energy: 0.5542173956355528
Energy: 0.5577291969842907
Energy: 0.5615925901862868
Energy: 0.5779961531357896
Energy: 0.5627363262597039
Energy: 0.5648051768750483

minimum gb energy = 0.41612379105469977 eV
minimum distance =  2.3560365815017 Angstroms
sigma value = 81


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

Energy: 0.036831575849791076
Energy: 0.06687563382611418
Energy: 0.0373664948696089
Energy: 0.039164995864573136
Energy: 0.0672680591441281
Energy: 0.03747713780224831
Energy: 0.06903878902460163
Energy: 0.039269821523185616
Energy: 0.03819842924284299
Energy: 0.06787446786107754
Energy: 0.040097853652238176
Energy: 0.03785899202977298
Energy: 0.20559233849245367
Energy: 0.037388282351315354
Energy: 0.03759410496388656
Energy: 0.06785906372794029
Energy: 0.037333937559727005
Energy: 0.06743041877350832
Energy: 0.039632201685256926
Energy: 0.03751529935681284
Energy: 0.03747932325878857
Energy: 0.04062140365576309
Energy: 0.03735532729329216
Energy: 0.06806483096441147
Energy: 0.06748615895713901
Energy: 0.06725746013822122
Energy: 0.0672683699697113
Energy: 0.06846419941841025
Energy: 0.20596870040965484
Energy: 0.06885657117697787
Energy: 0.03789191367882162
Energy: 0.03755752201838757
Energy: 0.03771035159767702
Energy: 0.0393665277066214
Energy: 0.03774648611326426
Energy: 0.0374214768241189
Energy: 0.06682836093434612
Energy: 0.03805003285912798
Energy: 0.038262212594870414
Energy: 0.06710697948995299
Energy: 0.039045062788454
Energy: 0.0380533355381185
Energy: 0.06671073370915545
Energy: 0.03733210807356839
Energy: 0.037566696917446664
Energy: 0.06715379537989202
Energy: 0.0373630535019953
Energy: 0.06963913148380353
Energy: 0.03825412758166536
Energy: 0.03791803962237471
Energy: 0.06923349673272008
Energy: 0.039603484728179844
Energy: 0.03758473438010263
Energy: 0.06908387890624311
Energy: 0.03776109272473558
Energy: 0.06679266189589937
Energy: 0.06751604469217608
Energy: 0.03756800674042322
Energy: 0.20277372440275698
Energy: 0.06694963659478079

minimum gb energy = 0.036831575849791076 eV
minimum distance =  2.53481127098755 Angstroms
sigma value = 3


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

Energy: 0.7180541853826413
Energy: 0.6007440635031915
Energy: 0.5778197229029878
Energy: 0.7161475381273239
Energy: 0.6007897943814494
Energy: 0.5217674656866708
Energy: 0.5704676230401865
Energy: 0.5675562329199625
Energy: 0.5573289421151509
Energy: 0.5728609099131518
Energy: 0.5707563974532885
Energy: 0.5555116568863281
Energy: 0.572856063437827
Energy: 0.5365367932155861
Energy: 0.538135238595944
Energy: 0.5684100511316421
Energy: 0.5359114915609806
Energy: 0.5582735510932781
Energy: 0.5342956817624966
Energy: 0.5358258258171298
Energy: 0.5250256232133557
Energy: 0.5345130695398236
Energy: 0.4660132072065292
Energy: 0.5576337494850846
Energy: 0.47617219870957295
Energy: 0.5696553117198087
Energy: 0.5644647124075932
Energy: 0.4716470838152035
Energy: 0.5696144031090005
Energy: 0.5629381814507746
Energy: 0.48565751199239127
Energy: 0.5588246459168013
Energy: 0.5435530268722456
Energy: 0.6849018429830964
Energy: 0.5587374740745583
Energy: 0.5084607715606543
Energy: 0.5251923950300695
Energy: 0.5215146606490492
Energy: 0.5215889727525788
Energy: 0.5240020057592334
Energy: 0.48186009896877297
Energy: 0.5154665461174505
Energy: 0.5571522465047983
Energy: 0.5225418513718578
Energy: 0.5222523886006343
Energy: 0.5579959379234221
Energy: 0.5151054124145981
Energy: 0.48438388871076765
Energy: 0.5414351310672701
Energy: 0.5216113759917608
Energy: 0.5401812928616395
Energy: 0.5349055490476512
Energy: 0.44163546099380424
Energy: 0.5391717240346773
Energy: 0.4569406018554686
Energy: 0.48206524474609996
Energy: 0.48133472548515704
Energy: 0.44733655135343325
Energy: 0.48530697010343526
Energy: 0.499312373319779
Energy: 0.4312356713909366
Energy: 0.5198594136757441
Energy: 0.5263712775955275
Energy: 0.486257410457581
Energy: 0.5181052439607339
Energy: 0.5060906819761166
Energy: 0.44716501555701854
Energy: 0.5210071569060702
Energy: 0.5332478871388605
Energy: 0.4473045810302728
Energy: 0.5117086795802971
Energy: 0.443561357336913
Energy: 0.45916509351496304
Energy: 0.495375266255321
Energy: 0.5091979303601907
Energy: 0.45917881903415086
Energy: 0.5053384179266232
Energy: 0.4461783331894822
Energy: 0.5214399179788739
Energy: 0.4635068698054259
Energy: 0.5099625000350708
Energy: 0.5222558635444984
Energy: 0.46388441854960405
Energy: 0.5105771785600282
Energy: 0.5098895468789691
Energy: 0.4286905363919481
Energy: 0.4279846900003784
Energy: 0.5029374616569434
Energy: 0.43381609865839016
Energy: 0.42781721313022086
Energy: 0.4608100244736115
Energy: 0.5000650102378567
Energy: 0.49934141840330304
Energy: 0.4977136939311874
Energy: 0.5041829242212256
Energy: 0.49860692516435107
Energy: 0.42565584427807535
Energy: 0.5026022653791204
Energy: 0.5027883247428442
Energy: 0.4268218488253749
Energy: 0.4963591906470766
Energy: 0.4172586630452663
Energy: 0.4160361546146472
Energy: 0.49496413505920683
Energy: 0.5029359870182007
Energy: 0.41612099243922135
Energy: 0.553927911652803
Energy: 0.502806342288709
Energy: 0.5527231982548894
Energy: 0.4936028961173344
Energy: 0.49318624182261345
Energy: 0.553260378612307
Energy: 0.4955243716943775
Energy: 0.4928421732214665
Energy: 0.4975092534141931
Energy: 0.4165883451939015
Energy: 0.4163417078664152
Energy: 0.4986910259695248
Energy: 0.42256853123759625
Energy: 0.4164629659738849
Energy: 0.5035375642022477
Energy: 0.49697067111291016
Energy: 0.4996451463773386
Energy: 0.5035166353188162
Energy: 0.46070696028874836
Energy: 0.49848387040877895
Energy: 0.4354674817540055
Energy: 0.49743972453449053
Energy: 0.5008268715757881
Energy: 0.43691983078102475
Energy: 0.5037157989997928
Energy: 0.43477698739985277
Energy: 0.42518465222432344
Energy: 0.5090965985802104
Energy: 0.5116211505475424
Energy: 0.42504741785946937
Energy: 0.5216598776055015
Energy: 0.5110676549287362
Energy: 0.6036775986369791
Energy: 0.4589187384561795
Energy: 0.44654557013742424
Energy: 0.6041818369575906
Energy: 0.4589720804864859
Energy: 0.5012813082224652
Energy: 0.4773877695077797
Energy: 0.4472496326412179
Energy: 0.447560796170038
Energy: 0.477375119571058
Energy: 0.4470836541360099
Energy: 0.44473231635489685
Energy: 0.5294869331773076
Energy: 0.5135645528760944
Energy: 0.5130527563655289
Energy: 0.5209312374631171
Energy: 0.512178462872576
Energy: 0.5261126070729555
Energy: 0.4970886302259591
Energy: 0.5131766713756125
Energy: 0.5129855284468987
Energy: 0.498491571233395
Energy: 0.4431909888021835
Energy: 0.48704119830715964
Energy: 0.45522162634454333
Energy: 0.5381595618316901
Energy: 0.5446084948294171
Energy: 0.4552168256866937
Energy: 0.5374927937061352
Energy: 0.5392158956866492
Energy: 0.6507123561069252
Energy: 0.5556300269604951
Energy: 0.5126672498961178
Energy: 0.6517827901742411
Energy: 0.5555685347075942
Energy: 0.4821728474126129
Energy: 0.4760508368393807
Energy: 0.5230094787705382
Energy: 0.5241902102322044
Energy: 0.47626655823316016
Energy: 0.5240231306761579
Energy: 0.5170045760604699
Energy: 0.5309506654702028
Energy: 0.5294063834917001
Energy: 0.5287194159165559
Energy: 0.5311059785458792
Energy: 0.5186186793064667
Energy: 0.5098561445956652
Energy: 0.5771979249247325
Energy: 0.5295209884624879
Energy: 0.5428037206759329
Energy: 0.5685489527371379
Energy: 0.4520664852233682
Energy: 0.5226651744369314
Energy: 0.4836582930750906
Energy: 0.5181537320405541
Energy: 0.5169232880472707
Energy: 0.4836802732676244
Energy: 0.5178760278869137
Energy: 0.5346747326026611

minimum gb energy = 0.4160361546146472 eV
minimum distance =  2.35966372249922 Angstroms
sigma value = 67


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

Energy: 0.7379114019488028
Energy: 0.7726491060982441
Energy: 0.6697165338946879
Energy: 0.7366924062228033
Energy: 0.7718658326360734
Energy: 0.6534162268621916
Energy: 0.6697842364901544
Energy: 0.6751102317000601
Energy: 0.6469603294268508
Energy: 0.6690598058328108
Energy: 0.6710963391417296
Energy: 0.6492959418939949
Energy: 0.6869281125490371
Energy: 0.6233289135493681
Energy: 0.6521652285132774
Energy: 0.6877178011870629
Energy: 0.6619158367784835
Energy: 0.6515106107140358
Energy: 0.6165550589851312
Energy: 0.651430301992198
Energy: 0.6507841681668427
Energy: 0.6167518861372916
Energy: 0.598666564432676
Energy: 0.6609126841053605
Energy: 0.590192101784806
Energy: 0.6744588997138206
Energy: 0.6593522675976187
Energy: 0.5900962116575048
Energy: 0.6698048664546945
Energy: 0.6456986947895847
Energy: 0.700479687258867
Energy: 0.6519977261000667
Energy: 0.6410871007086292
Energy: 0.6248444154191591
Energy: 0.6519805209525249
Energy: 0.6217846073227569
Energy: 0.6126815939571435
Energy: 0.5959800365031342
Energy: 0.5990967180496817
Energy: 0.6125258464605428
Energy: 0.5957264179273849
Energy: 0.5906888535409992
Energy: 0.620437169369561
Energy: 0.6118827255270322
Energy: 0.6206585791774851
Energy: 0.6217573262797854
Energy: 0.6197998027333356
Energy: 0.5997311191046767
Energy: 0.613500223612559
Energy: 0.6229017421362061
Energy: 0.6219063733274143
Energy: 0.6124922497536395
Energy: 0.5431496569051316
Energy: 0.6277153125435302
Energy: 0.5142962473035677
Energy: 0.5429813752054323
Energy: 0.5487450609773491
Energy: 0.5142009464553746
Energy: 0.5505430455938378
Energy: 0.5385623020221506
Energy: 0.7031016873903746
Energy: 0.6217966974269288
Energy: 0.6204455105846428
Energy: 0.6131693725297556
Energy: 0.6082142509231558
Energy: 0.6214167983693372
Energy: 0.5196718888331798
Energy: 0.6056800386935443
Energy: 0.6181386071572892
Energy: 0.520771125136997
Energy: 0.6107618132925379
Energy: 0.5143827090577335
Energy: 0.5207030030108464
Energy: 0.614906490841673
Energy: 0.610976385348706
Energy: 0.5220593884421939
Energy: 0.6414632233986981
Energy: 0.5603355155543897
Energy: 0.6409105083848395
Energy: 0.6101460940340926
Energy: 0.6067491993347014
Energy: 0.6194810496007573
Energy: 0.5618154441284396
Energy: 0.6062605353426502
Energy: 0.6032686046335851
Energy: 0.5151542311851955
Energy: 0.5197057767283996
Energy: 0.6041778816681939
Energy: 0.5118107848458183
Energy: 0.510336445465429
Energy: 0.6135386344546513
Energy: 0.6198364809259885
Energy: 0.6150625522927782
Energy: 0.6144401016736728
Energy: 0.517631746116859
Energy: 0.616060786311032
Energy: 0.5522629342990256
Energy: 0.6105819382087305
Energy: 0.6096666297936705
Energy: 0.5536240024141945
Energy: 0.6141939024308669
Energy: 0.5493235827824585
Energy: 0.5405124280967288
Energy: 0.6230413134529661
Energy: 0.6255940757116826
Energy: 0.5404587196203322
Energy: 0.6130983417627555
Energy: 0.6021239636102319
Energy: 0.6595947731304156
Energy: 0.6189802163869017
Energy: 0.5945344823612521
Energy: 0.6952595222300771
Energy: 0.6436594192286917
Energy: 0.5930171163372046
Energy: 0.5451399572315467
Energy: 0.6009850279830338
Energy: 0.5989893974852347
Energy: 0.5423062764648556
Energy: 0.5967784000255238
Energy: 0.5896746600030227
Energy: 0.5923732260533656
Energy: 0.6170699095916383
Energy: 0.617344505980854
Energy: 0.5930289140762477
Energy: 0.5838203719478987
Energy: 0.617573094235444
Energy: 0.686444523973359
Energy: 0.6185406763223924
Energy: 0.6180114589384738
Energy: 0.6872369566791351
Energy: 0.6411638538423666
Energy: 0.6178755945762406
Energy: 0.6396463049155776
Energy: 0.6011575482068214
Energy: 0.59396710076956
Energy: 0.6252763795751312
Energy: 0.5978025189118679
Energy: 0.5930410456908087

minimum gb energy = 0.510336445465429 eV
minimum distance =  2.35943037665484 Angstroms
sigma value = 33


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

Energy: 0.8636066825565675
Energy: 0.7499216410188082
Energy: 0.7699365001927132
Energy: 0.8615960881651938
Energy: 0.748164216563787
Energy: 0.6968803100632391
Energy: 0.7134908446544598
Energy: 0.7117712548483992
Energy: 0.6958013285068607
Energy: 0.714431495230097
Energy: 0.7144958913130643
Energy: 0.6960247586982771
Energy: 0.7326630313391517
Energy: 0.6868243997329925
Energy: 0.6878240130236432
Energy: 0.7324467558497543
Energy: 0.68234454936218
Energy: 0.6953061751297361
Energy: 0.7060373441652329
Energy: 0.6876394146349816
Energy: 0.6878811908618897
Energy: 0.7069214669786058
Energy: 0.6341435291569811
Energy: 0.7047215971929254
Energy: 0.629447735239373
Energy: 0.7152809813448079
Energy: 0.6956268605746982
Energy: 0.6289997442708123
Energy: 0.7118611424526428
Energy: 0.6902680607847309
Energy: 0.7932480895355117
Energy: 0.6993062478803586
Energy: 0.6886859020485455
Energy: 0.7925264224320282
Energy: 0.7168381380910235
Energy: 0.6713763398110117
Energy: 0.6299990882019996
Energy: 0.6310298795794493
Energy: 0.6938741905382443
Energy: 0.6304466747733192
Energy: 0.6277911349005075
Energy: 0.625524137177354
Energy: 0.6436058643177857
Energy: 0.621436401204028
Energy: 0.6246557889028274
Energy: 0.6442041562236085
Energy: 0.6665592434501009
Energy: 0.631658333307358
Energy: 0.6604674600609385
Energy: 0.6664464495037626
Energy: 0.6684094997077692
Energy: 0.6610099466730345
Energy: 0.5765055992502506
Energy: 0.6695325422031427
Energy: 0.6665145717971335
Energy: 0.5784223345525625
Energy: 0.569449545947073
Energy: 0.6678837218585044
Energy: 0.5761861465287547
Energy: 0.5702962005856718
Energy: 0.6934960529089392
Energy: 0.6327960427080638
Energy: 0.6741083607918938
Energy: 0.6923338917834788
Energy: 0.6089805057970255
Energy: 0.6737308170294872
Energy: 0.581181313679497
Energy: 0.6287341752200212
Energy: 0.6763316248686628
Energy: 0.5822892672096676
Energy: 0.6622435005611451
Energy: 0.579090692743665
Energy: 0.5804879541399287
Energy: 0.6663199116926106
Energy: 0.6831777985915934
Energy: 0.577164233157345
Energy: 0.6648772123044182
Energy: 0.6340942517353831
Energy: 0.7227591640119297
Energy: 0.6963014508903683
Energy: 0.6685434670198582
Energy: 0.7238437700616472
Energy: 0.6783704804488582
Energy: 0.6773835726386681
Energy: 0.6147012351453599
Energy: 0.6411320099764899
Energy: 0.621618343678504
Energy: 0.6148318744143705
Energy: 0.6433092645901058
Energy: 0.6205061697954892
Energy: 0.6900785334242419
Energy: 0.6540704440010273
Energy: 0.6522408633096278
Energy: 0.6913719660889255
Energy: 0.5901565610498329
Energy: 0.62469709384496
Energy: 0.7284887781700076
Energy: 0.6540855524399707
Energy: 0.658267040019985
Energy: 0.7292632830132288
Energy: 0.6549520609078335
Energy: 0.6640880298980698
Energy: 0.7135795696590849
Energy: 0.6343623784136855
Energy: 0.7001434280586318
Energy: 0.7142847923154767
Energy: 0.6342544307597212
Energy: 0.6698786096068086
Energy: 0.8642174355523706
Energy: 0.7121813614619569
Energy: 0.7409506867833938
Energy: 0.8617629425465928
Energy: 0.7120398346959055
Energy: 0.6628923083367244
Energy: 0.6657549512552894
Energy: 0.716056619841219
Energy: 0.696291663447883
Energy: 0.6658890224696427
Energy: 0.7131123679034926
Energy: 0.6958694032646482
Energy: 0.731500470279235
Energy: 0.6879329869362961
Energy: 0.6874941859502322
Energy: 0.7323097657917254
Energy: 0.6344352231047434
Energy: 0.6982957876150364
Energy: 0.713348396716309
Energy: 0.6870472638137967
Energy: 0.686995989725599
Energy: 0.714301775606575
Energy: 0.6823682717268328
Energy: 0.7041946504763983
Energy: 0.6296113510112589
Energy: 0.7111980861852409
Energy: 0.695650192127222
Energy: 0.6293878037359242
Energy: 0.7143854994011585
Energy: 0.6897573826159018
Energy: 0.7924511922008195
Energy: 0.6996396719438664
Energy: 0.7189466759590891
Energy: 0.7917467826952834
Energy: 0.6992117052191839
Energy: 0.6858987898519111
Energy: 0.6294593422481116
Energy: 0.6901685979284271
Energy: 0.6868262367884748
Energy: 0.6290561751856614
Energy: 0.6855914920809579
Energy: 0.6943410755764015
Energy: 0.6431690811329127
Energy: 0.6214523088731152
Energy: 0.6687765577768788
Energy: 0.6442645033426273
Energy: 0.6674989077541519
Energy: 0.6307981250822121
Energy: 0.6623134896302608
Energy: 0.6684550980386723
Energy: 0.6683410665803385
Energy: 0.6641986559056996
Energy: 0.5762753206254568
Energy: 0.6682038086197319
Energy: 0.663458118440954
Energy: 0.5752882675152077
Energy: 0.5696768674452242
Energy: 0.6643793044351608
Energy: 0.5777271887633061
Energy: 0.5698120116012173
Energy: 0.6927690511542477
Energy: 0.579443644243
Energy: 0.6770933159180387
Energy: 0.6927577377441454
Energy: 0.5787394070991654
Energy: 0.6772069792648663
Energy: 0.5790420956482385
Energy: 0.6340816287621044
Energy: 0.6783989411089538
Energy: 0.5790545776062838
Energy: 0.6590744786192881
Energy: 0.6395228391135868
Energy: 0.577943713942754
Energy: 0.6714530544716378
Energy: 0.6841802807543931
Energy: 0.5789548067055675
Energy: 0.6645178207629767
Energy: 0.5766688175408158
Energy: 0.7230943857831503
Energy: 0.6684965532213903
Energy: 0.6670753407702535
Energy: 0.728037121863577
Energy: 0.679165115001953
Energy: 0.6736035670698649
Energy: 0.6152253587824593
Energy: 0.6498739246224173
Energy: 0.6450520210585378
Energy: 0.6150219066884522
Energy: 0.6460420163894953
Energy: 0.6246412367051225
Energy: 0.6874149849166498
Energy: 0.6529293777563858
Energy: 0.6708391590200912
Energy: 0.6886520099228224
Energy: 0.589915669305962
Energy: 0.6718436008302117
Energy: 0.7264202553141027
Energy: 0.6537917668440942
Energy: 0.6615933756980475
Energy: 0.7253624937303625
Energy: 0.7230503284442789
Energy: 0.6629101692635352
Energy: 0.7120424025441499
Energy: 0.626553789889366
Energy: 0.7003686987125863
Energy: 0.7130042773955284
Energy: 0.6274178401547841
Energy: 0.6860376441780195
Energy: 0.8632913534952326
Energy: 0.7121772259061019
Energy: 0.7401702777113836
Energy: 0.8628958679379765
Energy: 0.7123077869102526
Energy: 0.6582371829654148

minimum gb energy = 0.569449545947073 eV
minimum distance =  2.35480784076323 Angstroms
sigma value = 41


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

Energy: 0.8341782910853172
Energy: 0.9695809916774072
Energy: 0.8031076060568545
Energy: 0.8340788938202225
Energy: 0.9694482216622077
Energy: 0.808050549536043
Energy: 0.7629442413676102
Energy: 0.7682500780018157
Energy: 0.7314020387702845
Energy: 0.7481314159526508
Energy: 0.765979767053644
Energy: 0.7245947947675199
Energy: 0.7666334375405394
Energy: 0.7206329795443452
Energy: 0.7394796295253697
Energy: 0.7673105897642598
Energy: 0.7746940401564858
Energy: 0.7390260334496848
Energy: 0.7401177472667022
Energy: 0.7531040464553391
Energy: 0.7520141571591752
Energy: 0.7409933764093937
Energy: 0.6557551341273575
Energy: 0.7405638071640951
Energy: 0.6579886352976089
Energy: 0.7509158620733074
Energy: 0.7287695187264618
Energy: 0.6572647276892304
Energy: 0.7480253564526606
Energy: 0.7263435587346978
Energy: 0.7338105734069962
Energy: 0.7549597537371395
Energy: 0.7557241417770894
Energy: 0.7340038152165322
Energy: 0.7535736771103215
Energy: 0.7723268615095976
Energy: 0.6578061973516476
Energy: 0.7539636345785728
Energy: 0.7568706101844931
Energy: 0.6579370613254042
Energy: 0.7404141288814411
Energy: 0.6582353679032498
Energy: 0.6715220573255274
Energy: 0.7643139653722901
Energy: 0.6750946288649485
Energy: 0.6725297952022499
Energy: 0.737775828695846
Energy: 0.6728837724045555
Energy: 0.6975844165301608
Energy: 0.76143566942481
Energy: 0.7595937103093028
Energy: 0.6988441794239224
Energy: 0.672202731918566
Energy: 0.7556165703742225
Energy: 0.6799028579306657
Energy: 0.6774849272238016
Energy: 0.6825919515804377
Energy: 0.6807033899707059
Energy: 0.673762342750822
Energy: 0.6764849716570991
Energy: 0.7266204080686125
Energy: 0.6582155893018092
Energy: 0.7555260873179859
Energy: 0.7269108245084867
Energy: 0.6339004717337707
Energy: 0.755629366251803
Energy: 0.7739871434809127
Energy: 0.7185160738140779
Energy: 0.717541001599636
Energy: 0.7738080125376259
Energy: 0.7762309130725868
Energy: 0.7178857769075312
Energy: 0.7494294536476777
Energy: 0.7479818161458218
Energy: 0.7262912890605082
Energy: 0.7498274653152064
Energy: 0.7445236658917015
Energy: 0.7236893072586073
Energy: 0.7604723902290335
Energy: 0.7426887131997267
Energy: 0.807759803133363
Energy: 0.7605530404042145
Energy: 0.7409009059672406
Energy: 0.7626406963673761

minimum gb energy = 0.6339004717337707 eV
minimum distance =  2.36465709110348 Angstroms
sigma value = 11


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

Energy: 0.7839382470530277
Energy: 0.8375692935238178
Energy: 0.7755488445631924
Energy: 0.7847294933401325
Energy: 0.8373418320814425
Energy: 0.8057087140399379
Energy: 0.8246210184078787
Energy: 0.7191821319011386
Energy: 0.7189562554266988
Energy: 0.8203499683931761
Energy: 0.7193891271362842
Energy: 0.8044451389593628
Energy: 0.8456743405108013
Energy: 0.784921320246734
Energy: 0.7389847502232285
Energy: 0.8359285826131777
Energy: 0.778303175471264
Energy: 0.7488793652832219
Energy: 0.7408401763342928
Energy: 0.8023214142520136
Energy: 0.7621861686805372
Energy: 0.741393966491755
Energy: 0.7486508660420284
Energy: 0.7403930673900806
Energy: 0.7520650825122386
Energy: 0.7205151445543386
Energy: 0.7220414800206763
Energy: 0.7526216627366796
Energy: 0.7192449225409568
Energy: 0.7183882821684141
Energy: 0.7370113446301727
Energy: 0.7322231119932991
Energy: 0.7327827598690502
Energy: 0.7367959466229774
Energy: 0.7319955083873362
Energy: 0.7603202514053419
Energy: 0.7319390682880113
Energy: 0.7597978885961201
Energy: 0.7602512325882302
Energy: 0.7320959921398817
Energy: 0.746495253505081
Energy: 0.7323393622183074
Energy: 0.7206403262013547
Energy: 0.741194866058027
Energy: 0.7822597454707424
Energy: 0.7211200872473036
Energy: 0.7533116459667696
Energy: 0.7180387758282786
Energy: 0.7586301504347966
Energy: 0.7486509393944877
Energy: 0.7428005140950789
Energy: 0.716497479707627
Energy: 0.7485736166407598
Energy: 0.7500546956620762
Energy: 0.7142339773412254
Energy: 0.8165681981035167
Energy: 0.7662864194079695
Energy: 0.713916472203057
Energy: 0.8283293835720386
Energy: 0.7630395695389945
Energy: 0.7209060182505314
Energy: 0.744487115722691
Energy: 0.7918257180019501
Energy: 0.721341099018837
Energy: 0.7444148800855207
Energy: 0.7185180634785786
Energy: 0.7228784232613333
Energy: 0.7689533254567466
Energy: 0.7538104756911509
Energy: 0.7626403340319056
Energy: 0.795833100816672
Energy: 0.7728995276075772
Energy: 0.7189210649076079
Energy: 0.7514834733753893
Energy: 0.7510968888519932
Energy: 0.7189964909434564
Energy: 0.8229249425206443
Energy: 0.7175264110918186
Energy: 0.7230427425482833
Energy: 0.8416540600957912
Energy: 0.8050222817645379
Energy: 0.7235809244952118
Energy: 0.8410383299962739
Energy: 0.7685570468271415
Energy: 0.7143348864966262
Energy: 0.7577038453785061
Energy: 0.7608692226700032
Energy: 0.7142700474950763
Energy: 0.7580757895140832
Energy: 0.7709213024958298
Energy: 0.713861059508484
Energy: 0.7720786538990339
Energy: 0.7838221444649649
Energy: 0.7151093807081007
Energy: 0.748633120946381
Energy: 0.7128383265919833
Energy: 0.7127560139409186
Energy: 0.7814867503163975
Energy: 0.7736862083540814
Energy: 0.712943103817715
Energy: 0.7477529024934431
Energy: 0.7728691732377045
Energy: 0.7470974578464233
Energy: 0.7792846124134413
Energy: 0.7788603302942565
Energy: 0.7479001616139045
Energy: 0.7798585235558765
Energy: 0.7527719732807346
Energy: 0.7337036722760074
Energy: 0.726472733252398
Energy: 0.7346574554629798
Energy: 0.7335069947561546
Energy: 0.7438691600944674
Energy: 0.8047228523814581
Energy: 0.7543139535605429
Energy: 0.799500257411026
Energy: 0.7632485956337483
Energy: 0.7548986044517741
Energy: 0.771775266119008
Energy: 0.7511836347128692
Energy: 0.7425662300614744
Energy: 0.7891230333225312
Energy: 0.7328172070368689
Energy: 0.7433033804973586
Energy: 0.755105092307836
Energy: 0.7203896097278034
Energy: 0.719029681585386
Energy: 0.7439152362853458
Energy: 0.7287617422037611
Energy: 0.7189519107798711
Energy: 0.743380755741105
Energy: 0.7289946161135101
Energy: 0.7517328540150652
Energy: 0.7333715527711416
Energy: 0.7561221433560205
Energy: 0.8073578603927577
Energy: 0.7335074169585822
Energy: 0.7540420761641494
Energy: 0.7424953362592446
Energy: 0.7338329568351439
Energy: 0.8111215275158598
Energy: 0.7433984680216773
Energy: 0.7335403929419759
Energy: 0.7349352642097009
Energy: 0.783983778371751
Energy: 0.7394733103827613
Energy: 0.7340564609201828
Energy: 0.7851812736737674
Energy: 0.7353407174795261
Energy: 0.7796389324408048
Energy: 0.7530729524944572
Energy: 0.7134007506172634
Energy: 0.752534137578234
Energy: 0.7632530111310358
Energy: 0.7134489039352379
Energy: 0.7808795108607234
Energy: 0.7460023488553558
Energy: 0.7127823103600917
Energy: 0.7126506977794221
Energy: 0.7475232235564572
Energy: 0.7153027272246989
Energy: 0.7730563512805848
Energy: 0.7583655420506259
Energy: 0.712979069328284
Energy: 0.7633707580262035
Energy: 0.7582143263922213
Energy: 0.7139660377425663
Energy: 0.7742353590460206
Energy: 0.8469790119775338
Energy: 0.778143901329738
Energy: 0.7769909535636422
Energy: 0.8471241948565816
Energy: 0.7238451494457605
Energy: 0.7926191648265635
Energy: 0.8251178119329908
Energy: 0.7192003150718973
Energy: 0.720058444432751
Energy: 0.8258168613313582
Energy: 0.7195278914945336
Energy: 0.7518897698762688
Energy: 0.7795967454130163
Energy: 0.7267373155906602
Energy: 0.7724920828106127
Energy: 0.7782757317369554
Energy: 0.7241425535349675
Energy: 0.7473509062282511

minimum gb energy = 0.7126506977794221 eV
minimum distance =  2.33663635765716 Angstroms
sigma value = 57


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

Energy: 1.027545876454102
Energy: 0.7261056761966039
Energy: 0.8118337435110164
Energy: 1.0286179101601027
Energy: 0.7328612286022304
Energy: 0.8078869082825632
Energy: 0.7334790353841413
Energy: 0.7020756397563769
Energy: 0.6850887138543859
Energy: 0.7336228011421773
Energy: 0.7745627022382342
Energy: 0.6998876263238655
Energy: 0.75419652805742
Energy: 0.7410525987133787
Energy: 0.7472199746140189
Energy: 0.7550373697385362
Energy: 0.7161911845892721
Energy: 0.7256736618220021
Energy: 0.7246778199090201
Energy: 0.6989668326305393
Energy: 0.6798497790889372
Energy: 0.7263722703045213
Energy: 0.8806769082186747
Energy: 0.680147628916198
Energy: 0.7014329929670408
Energy: 0.7398418121010045
Energy: 0.6823499056018332
Energy: 0.6998652995157749
Energy: 0.735693935880368
Energy: 0.6806736301346743
Energy: 0.8481554727205562
Energy: 0.7513470820570929
Energy: 0.7461928595630044
Energy: 0.6831688062209462
Energy: 0.7469549251213684
Energy: 0.8035963320222668
Energy: 0.7445304754776659
Energy: 0.6949297443086652
Energy: 0.6910025643587218
Energy: 0.7458267416525405
Energy: 0.6917174272103421
Energy: 0.7465540301961376
Energy: 0.7374900770653211
Energy: 0.7054917397335545
Energy: 0.6809627769932058
Energy: 0.7387640076903279
Energy: 0.7021100800625636
Energy: 0.6804921347268632
Energy: 0.7063101306578033
Energy: 0.7360603283165521
Energy: 0.772439151724057
Energy: 0.668728376319121
Energy: 0.7329244543335165
Energy: 0.6851258332216864
Energy: 0.6668199506641672
Energy: 0.7475853936296075
Energy: 0.7704000785420195
Energy: 0.6670312253668597
Energy: 0.7472825184551405
Energy: 0.6860151096776722
Energy: 0.7368103611893775
Energy: 0.7055017205282913
Energy: 0.6990707213414106
Energy: 0.737791625404768
Energy: 0.7008174564473544
Energy: 0.6802232586959224
Energy: 0.7348176154299855
Energy: 0.7634650552000712
Energy: 0.7393665545620797
Energy: 0.7357096933166517
Energy: 0.8495655773139756
Energy: 0.7254112528034675
Energy: 0.6795992769913586
Energy: 0.679828048438065
Energy: 0.7042455128700622
Energy: 0.6794685130782824
Energy: 0.7773064163098427
Energy: 0.7941113213564371
Energy: 0.8498258571438898
Energy: 0.7483917478661182
Energy: 0.7458648504798615
Energy: 0.8509483932864226
Energy: 0.7479051738656821
Energy: 0.7319802584121052
Energy: 0.7442696490209461
Energy: 0.6806427172197944
Energy: 0.6972549248280246
Energy: 0.7455600668400196
Energy: 0.7284851403991226
Energy: 0.7223878988571303
Energy: 0.754888969367716
Energy: 0.6924577312312038
Energy: 0.6910956758492315
Energy: 0.7458685369542429
Energy: 0.6803556707628441
Energy: 0.7325406964716511
Energy: 0.6686222835360198
Energy: 0.6828505050797836
Energy: 0.6996729284487873
Energy: 0.6663007451512971
Energy: 0.6817149690923135
Energy: 0.7005215507566409

minimum gb energy = 0.6663007451512971 eV
minimum distance =  2.35191475610385 Angstroms
sigma value = 9


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

Energy: 1.2435443801666655
Energy: 0.9269034179007335
Energy: 0.8392937864086004
Energy: 0.828733848210215
Energy: 0.926783044595864
Energy: 0.8357757418235592
Energy: 0.8239528487170957
Energy: 0.7680013077866645
Energy: 0.7212622249407175
Energy: 0.8157514078107213
Energy: 0.7649367473526667
Energy: 0.7444391317357156
Energy: 0.8000369560815546
Energy: 0.7706591669932129
Energy: 0.7527653246893418
Energy: 0.8011364180724373
Energy: 0.8715868102056448
Energy: 0.767669922274868
Energy: 0.7523619616404755
Energy: 0.7123111147171354
Energy: 0.7571555601842431
Energy: 0.752877965094986
Energy: 0.7290063549018334
Energy: 0.7393566513831518
Energy: 0.7859310943909471
Energy: 0.7346927870123832
Energy: 0.7272106711042365
Energy: 0.786867874970232
Energy: 0.731397022381589
Energy: 0.707136996623229
Energy: 0.737413632725591
Energy: 0.7236424923670349
Energy: 0.762683830019947
Energy: 0.7197747540162005
Energy: 0.7777193707138881
Energy: 0.7622903441184022
Energy: 0.7396164585806164
Energy: 0.7626182642628246
Energy: 0.7708151305184464
Energy: 0.7407255104921183
Energy: 0.934717534236773
Energy: 0.776454294987405
Energy: 0.7585901155312116
Energy: 0.7033940539249977
Energy: 0.7192972773896343
Energy: 0.7829317469918223
Energy: 0.7366573008688106
Energy: 0.7102586548366848
Energy: 0.8420864543477614
Energy: 0.733006873478626
Energy: 0.7281095017215207
Energy: 0.7895075870270876
Energy: 0.7344871495487687
Energy: 0.7537180580504914
Energy: 0.7355096353264703
Energy: 0.7124271137959682
Energy: 0.7161876270342101
Energy: 0.735552284851059
Energy: 0.7091799064606719
Energy: 0.7080716352404525
Energy: 0.7406459642439611
Energy: 0.771004512176743
Energy: 0.740201220655297
Energy: 0.7402601998122995
Energy: 0.7536490970365487
Energy: 0.7118902707181339
Energy: 0.7388932295711986
Energy: 0.796213606954833
Energy: 0.7195456332044755
Energy: 0.739667097055994
Energy: 0.7770975593989936
Energy: 0.7199362046551488
Energy: 0.9361823083949862
Energy: 0.756508024976596
Energy: 0.7587748881576677
Energy: 0.7766430309224397
Energy: 0.7538600597292149
Energy: 0.7639941173289895
Energy: 0.746537255096845
Energy: 0.7920684684195823
Energy: 0.73141961618436
Energy: 0.7530391644833124
Energy: 0.7915129634119188
Energy: 0.7388121551138765
Energy: 0.7423947329527749
Energy: 0.7397871420820384
Energy: 0.7074447580067165
Energy: 0.7426895894009193
Energy: 0.719998320157188
Energy: 0.730298933669817
Energy: 0.7341586705873686
Energy: 0.7087050815086599
Energy: 0.7417332308691821
Energy: 0.7197029206411129
Energy: 0.7671638828366626
Energy: 0.8086691862447287
Energy: 0.7288385545348487
Energy: 0.759132535784226
Energy: 0.757931610788958
Energy: 0.7296553363788856
Energy: 0.8405646903678385
Energy: 0.7387270487385204
Energy: 0.8689985646958657
Energy: 0.7658764837412179
Energy: 0.7700192422908131
Energy: 0.8701515939614607
Energy: 0.7646010309223488
Energy: 0.7618024303768209
Energy: 0.7631124768836489
Energy: 0.7719599048014287
Energy: 0.7423358687100594
Energy: 0.7630024966542674
Energy: 0.7951995856154499
Energy: 0.7538247165442921
Energy: 0.7630103083745016
Energy: 0.7844658735802869
Energy: 0.7427329293181304
Energy: 0.763166317670519
Energy: 0.7690524361837365
Energy: 0.7316753340848419
Energy: 0.7366763537858038
Energy: 0.7338066880520732
Energy: 0.7217504793514636
Energy: 0.7361456705615359
Energy: 0.7309977019256153
Energy: 0.7213113775627158

minimum gb energy = 0.7033940539249977 eV
minimum distance =  2.36064785054507 Angstroms
sigma value = 27


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

Energy: 0.7460404326084988
Energy: 1.1516936306211303
Energy: 0.6561058771725404
Energy: 0.747894268923381
Energy: 1.147998251943149
Energy: 0.6475820407365819
Energy: 0.7731488114711506
Energy: 0.6599254551678492
Energy: 0.6608081877390232
Energy: 0.7716869157805618
Energy: 0.661924648256092
Energy: 0.6722615805260997
Energy: 0.7090772690749293
Energy: 0.7089956461138164
Energy: 0.7082872050862216
Energy: 0.7098906181284482
Energy: 0.7442976022390334
Energy: 0.7111819252030401
Energy: 0.7120761742351577
Energy: 0.6725654426908871
Energy: 0.6614106502632907
Energy: 0.7122924445505991
Energy: 0.7077706958807827
Energy: 0.7062474438880484
Energy: 0.7578217855861075
Energy: 0.6679289615310403
Energy: 0.670765501153395
Energy: 0.7588106827355142
Energy: 0.6654542646444479
Energy: 0.6604837051409592
Energy: 0.7054882692204395
Energy: 0.7768895887745306
Energy: 0.6713369070324182
Energy: 0.7063039498075977
Energy: 0.7749543302837982
Energy: 0.6711414248685345
Energy: 0.6603106380637105
Energy: 0.7500224665325401
Energy: 0.6472628928410452
Energy: 0.6607410176209992
Energy: 0.7480761825673039
Energy: 0.6481114000247852
Energy: 0.6613107523204166
Energy: 0.6481119675457518
Energy: 0.673098722437864
Energy: 0.6616590328360786
Energy: 0.6471380800905745
Energy: 0.6614373840623925
Energy: 0.6642524096076661
Energy: 0.7143950443618453
Energy: 0.7187121138148639
Energy: 0.7674882535987188
Energy: 0.7118791959826499
Energy: 0.7074861974707503
Energy: 0.6644305290925479
Energy: 0.712185594041847
Energy: 0.7134046434208816
Energy: 0.6634486325478075
Energy: 0.7095343986709944
Energy: 0.707075310137514
Energy: 0.6670754841491768
Energy: 0.6721134824807778
Energy: 0.7205093911814757
Energy: 0.6680568213204665
Energy: 0.7606777683510201
Energy: 0.6608686292076807
Energy: 0.7717869043230976
Energy: 0.7127766313247357
Energy: 0.6715839217404697
Energy: 0.7709035619582876
Energy: 0.7092597751480598
Energy: 0.6727926083313234
Energy: 0.7437242412767274
Energy: 0.6627701009566503
Energy: 0.6489060980254302
Energy: 0.7456823470239156
Energy: 0.6588402234404583
Energy: 0.648472586548672
Energy: 0.7162328628379104
Energy: 0.6627091623615469
Energy: 0.6610594708529728
Energy: 0.7169802507721658
Energy: 0.6665934340340206
Energy: 0.6497924174266108
Energy: 0.7146199583585539
Energy: 0.7081525365065586
Energy: 0.7069937994754442
Energy: 0.715278179858275
Energy: 0.6581270847942163
Energy: 0.7066908509751937
Energy: 0.7056463508392131
Energy: 0.7084623775681753
Energy: 0.7080183718951392
Energy: 0.706410840495826
Energy: 0.7659809407114687
Energy: 0.7151011498539503
Energy: 0.7017985850177814
Energy: 0.6635873132118388
Energy: 0.6608577308197144
Energy: 0.7020839750535213
Energy: 0.6621097165363488
Energy: 0.6730609078425659
Energy: 0.711923490740543
Energy: 0.6632070431931572
Energy: 0.6607445931430365
Energy: 0.7125468583624522
Energy: 0.6624659976412809
Energy: 0.6621968470007419
Energy: 0.657136096681837
Energy: 0.745069228243235
Energy: 0.6498436954443526
Energy: 0.6578449185664256
Energy: 0.7488093225823192
Energy: 0.6491592050261106
Energy: 0.6629095032771647
Energy: 0.7451486383811247
Energy: 0.6499555757391868
Energy: 0.6639224530739453
Energy: 0.749283198634233
Energy: 0.6492807715658966
Energy: 0.6618602103452865
Energy: 0.6637920921098786
Energy: 0.6608512090057881
Energy: 0.7705030606714591
Energy: 0.7255325894654392
Energy: 0.6616089292831077
Energy: 0.7011426086721618
Energy: 0.7091451523232499
Energy: 0.7132712849137703
Energy: 0.7002185224578688
Energy: 0.7066755856963985
Energy: 0.7083643649715938
Energy: 0.6613775738146521
Energy: 0.6735288797188012
Energy: 0.6722411605071007
Energy: 0.6620919614210167
Energy: 0.7090858067716821
Energy: 0.6728077009587292
Energy: 0.6649753802828087
Energy: 0.7202513361673574
Energy: 0.6609512975100524
Energy: 0.6657861422462478
Energy: 0.7601306062072
Energy: 0.6606574572217107
Energy: 0.7160228056621065
Energy: 0.6632184973172993
Energy: 0.6598646405093528
Energy: 0.7167122540771598
Energy: 0.6612220852204778
Energy: 0.6498007047993641

minimum gb energy = 0.6471380800905745 eV
minimum distance =  2.39777507170147 Angstroms
sigma value = 19


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

Energy: 0.7680812880841522
Energy: 0.7259049343960565
Energy: 0.6835898317862493
Energy: 0.809206610834236
Energy: 0.7725403070932121
Energy: 0.6834879299060942
Energy: 0.7127144469064584
Energy: 0.7587838683677076
Energy: 0.7467153670805692
Energy: 0.7136090870112781
Energy: 0.7556187428175585
Energy: 0.7465248409296009
Energy: 0.7133224005111762
Energy: 0.8027400826224762
Energy: 0.6971468477194093
Energy: 0.7131143793879632
Energy: 0.7919534375875639
Energy: 0.7031495671377505
Energy: 0.7165303124232748
Energy: 0.7038221163514564
Energy: 0.7651176656625853
Energy: 0.7167225026106157
Energy: 0.7153214329260367
Energy: 0.7035679990043507
Energy: 0.786854132265317
Energy: 0.7131360619312287
Energy: 0.7024381549829974
Energy: 0.787642911288488
Energy: 0.7149979554236096
Energy: 0.7023875340556165
Energy: 0.7166097279776132
Energy: 0.7017474878759983
Energy: 0.8006894529764711
Energy: 0.7165623298156354
Energy: 0.7135666907821916
Energy: 0.7030790343399118
Energy: 0.782908530493968
Energy: 0.7966719865039058
Energy: 0.6965798967721346
Energy: 0.7831946636511894
Energy: 0.7880466893785197
Energy: 0.6957426563574223
Energy: 0.7829934704760448
Energy: 0.7438447509805216
Energy: 0.7732003911127651
Energy: 0.773433548287555
Energy: 0.6939118167348552
Energy: 0.7731347665421724
Energy: 0.7716840580738004
Energy: 0.7131794459071191
Energy: 0.7038409689902829
Energy: 0.7726972104373075
Energy: 0.7129432548273211
Energy: 0.7106702351367278
Energy: 0.773998838541091
Energy: 0.697587408411388
Energy: 0.6981520653903476
Energy: 0.690628383835643
Energy: 0.715383701259774
Energy: 0.6963795106049719
Energy: 0.7019145262269424
Energy: 0.7967017061632972
Energy: 0.7003332096669619
Energy: 0.7022555390466392
Energy: 0.7966140675207649
Energy: 0.6961094104830099
Energy: 0.6946994205041709
Energy: 0.6977621661421202
Energy: 0.697222404289014
Energy: 0.6948811931282292
Energy: 0.7358358092564553
Energy: 0.6927455844619202
Energy: 0.8149543365733266
Energy: 0.7683974587213033
Energy: 0.7003294943976851
Energy: 0.7819279795250755
Energy: 0.7725989708792683
Energy: 0.7015666915001023
Energy: 0.6930521548197319
Energy: 0.7204527478536152
Energy: 0.7221413185781186
Energy: 0.6932087031559552
Energy: 0.7203238584130587
Energy: 0.7206209128643742
Energy: 0.69470505160655
Energy: 0.7502603146355765
Energy: 0.6917525040440439
Energy: 0.6944023485309049
Energy: 0.7500285697906027
Energy: 0.6965557310747259
Energy: 0.6944765739323364
Energy: 0.6860000837126752
Energy: 0.7385030279903133
Energy: 0.6945551248124333
Energy: 0.7579715793848287
Energy: 0.687215555006821
Energy: 0.7636045451022447
Energy: 0.6975138597516582
Energy: 0.7071698701199242
Energy: 0.7648687950832019
Energy: 0.6965551383092254
Energy: 0.7075320357929449
Energy: 0.6960126790232435
Energy: 0.7636783398494333
Energy: 0.6860959791223981
Energy: 0.696142369445693
Energy: 0.763847468926807
Energy: 0.6868643366318083
Energy: 0.7624245783912081
Energy: 0.7939514172475284
Energy: 0.7009903847952728
Energy: 0.7634879165052862
Energy: 0.7931738146170502
Energy: 0.7279601014149033
Energy: 0.7147457859107075
Energy: 0.7461355096863114
Energy: 0.688577403720325
Energy: 0.715433692293748
Energy: 0.8066916671502119
Energy: 0.7156421406275517
Energy: 0.7529609354394464
Energy: 0.6956444896580326
Energy: 0.6920896660631454
Energy: 0.7530112788029023
Energy: 0.6948667405338728
Energy: 0.6869085949732062
Energy: 0.7494745780060109
Energy: 0.6958229564677635
Energy: 0.6929014282433084
Energy: 0.7594321764310275
Energy: 0.6946792929643953
Energy: 0.6926122196194021
Energy: 0.7333315433545669
Energy: 0.7963492928082141
Energy: 0.7034066572568309
Energy: 0.7317553503975086
Energy: 0.7955421810570861
Energy: 0.7498185710886751
Energy: 0.774628727175234
Energy: 0.7204601948932283
Energy: 0.7421626066269179
Energy: 0.7754962191027512
Energy: 0.6854790818999607
Energy: 0.7422684928342265
Energy: 0.7137312075178364
Energy: 0.7326467641590865
Energy: 0.7330306025975116
Energy: 0.7137095416708956
Energy: 0.73203972017264
Energy: 0.692325647761977
Energy: 0.7760215607397833
Energy: 0.7020655845455822
Energy: 0.7020651513837718
Energy: 0.7767249136204059
Energy: 0.7023014805037492
Energy: 0.7022599153637141
Energy: 0.7158727219093565
Energy: 0.7934832545680369
Energy: 0.6973130435062224
Energy: 0.7152450410975244
Energy: 0.7745370828823901
Energy: 0.6973473751909104
Energy: 0.7119852292283629
Energy: 0.7808693249982754
Energy: 0.7549724814886881
Energy: 0.7121101251662164
Energy: 0.7773855874400336
Energy: 0.7076253554579623
Energy: 0.7347120498560867
Energy: 0.773860676705639
Energy: 0.7756413944811315
Energy: 0.7345655797183652
Energy: 0.7748759173604829
Energy: 0.7396430905984055

minimum gb energy = 0.6834879299060942 eV
minimum distance =  2.35220394170992 Angstroms
sigma value = 101


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

Energy: 1.1847585033477586
Energy: 1.2069663485589923
Energy: 0.6979318972060343
Energy: 1.1844769376101207
Energy: 1.2039654689730048
Energy: 0.6867615502503024
Energy: 0.7043187666991366
Energy: 0.717186128928575
Energy: 0.711374010658913
Energy: 0.7045485508705737
Energy: 0.7149353382045978
Energy: 0.6856616658972656
Energy: 0.7044085783611136
Energy: 0.7816466779806734
Energy: 0.6811550037587938
Energy: 0.7049592172178955
Energy: 0.7676459857937519
Energy: 0.6876719780472104
Energy: 0.7044971483131351
Energy: 0.6863807694917498
Energy: 0.6862320344004125
Energy: 0.7045154610700944
Energy: 0.7038756891670832
Energy: 0.685886427722919
Energy: 0.7581836830185823
Energy: 0.709275823682035
Energy: 0.68942063677435
Energy: 0.7591994196402772
Energy: 0.7053537563429614
Energy: 0.6945455597360369
Energy: 0.7536624201679253
Energy: 0.732560011203707
Energy: 0.733917261127249
Energy: 0.7535407495561895
Energy: 0.7043164208928006
Energy: 0.725498420719497
Energy: 0.688703286346679
Energy: 0.7326032479761115
Energy: 0.6772350079068925
Energy: 0.6890595361815652
Energy: 0.7783018155513897
Energy: 0.6812327013456493
Energy: 0.7259928425690736
Energy: 0.7320981017522391
Energy: 0.7268134963393706
Energy: 0.7268753829520934
Energy: 0.7151050121976125
Energy: 0.7262707378646593
Energy: 0.7363329962509713
Energy: 0.7045020082068449
Energy: 0.691913742193654
Energy: 0.7374242438232372
Energy: 0.7056103032209209
Energy: 0.6841212402870145
Energy: 0.7358781305225921
Energy: 0.6837879043297714
Energy: 0.6875464738288911
Energy: 0.7361589513653756
Energy: 0.7038783763183599
Energy: 0.7150920498132514
Energy: 0.8305714874143374
Energy: 0.766074108352911
Energy: 0.6887221794660523
Energy: 0.6911861755630864
Energy: 0.7646310544701367
Energy: 0.6849122801831778
Energy: 0.7292011088141074
Energy: 0.6880257385615041
Energy: 0.7146302890862103
Energy: 0.7297358119932872
Energy: 0.7036997143539051
Energy: 0.6870160640146582
Energy: 0.7445581962287419
Energy: 0.6914804681915239
Energy: 0.6909410044516513
Energy: 0.7455554291804174
Energy: 0.6913021485467783
Energy: 0.6872820090470475
Energy: 0.7013324724195587
Energy: 0.7206637196108054
Energy: 0.7156266807704935
Energy: 0.7015886226050769
Energy: 0.717304737959889
Energy: 0.7165737028468675
Energy: 0.7028313806488007
Energy: 0.759820427709324
Energy: 0.7377856732341974
Energy: 0.7038716300042253
Energy: 0.7416713957684208
Energy: 0.7002839659663768
Energy: 0.7044887720205143
Energy: 0.7045297675093481
Energy: 0.7311808976874736
Energy: 0.7046342704413363
Energy: 0.7046048348603176
Energy: 0.6867052084710797
Energy: 0.7320389743932255
Energy: 0.7738788264127734
Energy: 0.6946568455195989
Energy: 0.7330741215775114
Energy: 0.7705860494503662
Energy: 0.6753888563849405
Energy: 0.6779997370825899
Energy: 0.7191348249626609
Energy: 0.7141564223746795
Energy: 0.6785215646572138
Energy: 0.7160098509385986
Energy: 0.7412230022392771
Energy: 0.7045687720500318
Energy: 0.7797711650725027
Energy: 0.6854623275762275
Energy: 0.7033234296245876
Energy: 0.7665881804352447
Energy: 0.6917998033183448
Energy: 0.705340727026777
Energy: 0.7799379344799806
Energy: 0.6863189192940573
Energy: 0.7064315913431928
Energy: 0.7663567281010881
Energy: 0.6857050068636089
Energy: 0.755129883183709
Energy: 0.7058821802270959
Energy: 0.6843062092715969
Energy: 0.7559795519468417
Energy: 0.7026235543727521
Energy: 0.6869588525361411
Energy: 0.7538463198429948
Energy: 0.7050383185994579
Energy: 0.6857916385258863
Energy: 0.7545184883719745
Energy: 0.7037244213219395
Energy: 0.7037101318869353
Energy: 0.7526026647894236
Energy: 0.7336841434953012
Energy: 0.682112765705249
Energy: 0.7527042089378397
Energy: 0.7129643360601523
Energy: 0.6825611481347684
Energy: 0.7264941840568695
Energy: 0.7607300888976019
Energy: 0.7120767267077917
Energy: 0.7274550597418235
Energy: 0.6962167338124331
Energy: 0.7263482890696684
Energy: 0.735330899427245
Energy: 0.704661577501666
Energy: 0.7055161758402797
Energy: 0.7355114335742035
Energy: 0.7039039956146687
Energy: 0.6848320282997344
Energy: 0.7479982141513731
Energy: 0.7047580874389122
Energy: 0.686946771316739
Energy: 0.7409012187550071
Energy: 0.7054610215650168
Energy: 0.6874834947228385
Energy: 0.7195245088704669
Energy: 0.7670077831775821
Energy: 0.6746239067500452
Energy: 0.7202598953839894
Energy: 0.7696513653253487
Energy: 0.6876597749251953
Energy: 0.7055264064518987
Energy: 0.7639951948752949
Energy: 0.6767733561519368
Energy: 0.7056278850192932
Energy: 0.7664079943300607
Energy: 0.6859868611622272
Energy: 0.7522718031754401
Energy: 0.7280427916839403
Energy: 0.7288808423137391
Energy: 0.7533715341204382
Energy: 0.7324419376404322
Energy: 0.6882409109227045
Energy: 0.747316468491741
Energy: 0.6844187943941723
Energy: 0.6851890695365027
Energy: 0.7480798949354388
Energy: 0.6852082122099521
Energy: 0.6857860024254904
Energy: 0.7037429219245326
Energy: 0.7652435789674378
Energy: 0.7354521863175717
Energy: 0.7040152118181079
Energy: 0.7477604569557297
Energy: 0.6871103738855375
Energy: 0.703274799899844
Energy: 0.7150234245706748
Energy: 0.7328276366414448
Energy: 0.7034766750956422
Energy: 0.7368971620855436
Energy: 0.6861120576466099
Energy: 0.7415819457888074
Energy: 0.6927236378830519
Energy: 0.7356433009152903
Energy: 0.7396370841030395
Energy: 0.6921560208916254
Energy: 0.7236811229567554

minimum gb energy = 0.6746239067500452 eV
minimum distance =  2.36194895950687 Angstroms
sigma value = 33


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

Energy: 0.01540594653053499
Energy: 0.7923210667860491
Energy: 0.016128330403008637
Energy: 0.01718377843983254
Energy: 0.7964460197272122
Energy: 0.015992716313641277
Energy: 0.306750167443846
Energy: 0.10593101904950915
Energy: 0.10435327301930823
Energy: 0.10641840881844672
Energy: 0.10685279648824565
Energy: 0.10452477873299164
Energy: 0.9903239234427227
Energy: 0.7915302104666445
Energy: 0.7894653290756396
Energy: 0.7968720406332446
Energy: 0.794420323965827
Energy: 0.7898028494667639
Energy: 0.016239407079291102
Energy: 0.10593101904995143
Energy: 0.10435327301930823
Energy: 0.106418408818889
Energy: 0.10685279648868795
Energy: 0.10452477873168933

minimum gb energy = 0.01540594653053499 eV
minimum distance =  2.524543524603 Angstroms
sigma value = 1