Model name: model_name=Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0415970236062995
cohesive_energy=3.3700537750426105
mass=26.981538
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=[0.0, 5.0279827563514794e-21, 1.23739305797088e-19, 2.4648846643436395e-19, 3.2945878560268796e-19, 3.80159665185618e-19, 4.08265047699246e-19, 4.2806154218894997e-19, 4.453185867137639e-19, 4.60407886252776e-19, 4.7361783260010595e-19, 4.85177537014416e-19, 4.95269647631982e-19, 5.040447690563999e-19, 5.116294732417559e-19, 5.181311060225279e-19, 5.2363938929022e-19, 5.28232829699898e-19, 5.319803208468239e-19, 5.34941143266456e-19, 5.371681687877159e-19, 5.38711064886258e-19, 5.396082838012979e-19, 5.39899879948686e-19, 5.391548678138759e-19, 5.3672917239e-19, 5.32385671535226e-19, 5.2589365181425795e-19, 5.17035217204872e-19, 5.05605289097916e-19, 4.91405197590774e-19, 4.74234670604196e-19, 4.538726077626899e-19, 4.3005625209828e-19, 4.02465168284166e-19, 3.70689199102044e-19, 3.3422686326547197e-19, 2.92459720593726e-19, 2.44657178541702e-19, 1.89792241887006e-19, 1.237213614187872e-19, 4.2542596162601996e-20, -6.88658776062318e-20, -2.5288755991056e-19, -5.183730346942619e-19, -8.633617184103119e-19, -1.286190551712618e-18, -1.78831751533812e-18, -2.40252794974836e-18, -3.3014451720204e-18, -4.6151499030687e-18, -6.73011919054674e-18, -1.025167138854606e-17, -1.6741143648665997e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010399057315409481
Energy: 0.011264774082556734
Energy: 0.011178244646350956
Energy: 0.012185037881807071
Energy: 0.3074238435012075
Energy: 0.011438908629224202
Energy: 0.011264774082807632
Energy: 0.05455558211118678
Energy: 0.057003581841389865
Energy: 0.054527760141503845
Energy: 0.05447206821030879
Energy: 0.0566371904119345
Energy: 0.01117824464584916
Energy: 0.057003581841389865
Energy: 0.055582548678108544
Energy: 0.011325963926382352
Energy: 0.05448644996328715
Energy: 0.054938728789021125
Energy: 0.012185037881807071
Energy: 0.05452776014125295
Energy: 0.01132596392688415
Energy: 0.010809688178917849
Energy: 0.18550851894734877
Energy: 0.010970029632381742
Energy: 0.30742384350145846
Energy: 0.05447206820983486
Energy: 0.05448644996353805
Energy: 0.18550851894712575
Energy: 0.05441833645501562
Energy: 0.1885421157295847
Energy: 0.011438908628248486
Energy: 0.05663719041146058
Energy: 0.05493872878877023
Energy: 0.01097002963263264
Energy: 0.1885421157295847
Energy: 0.012289193990318087

minimum gb energy = 0.010399057315409481 eV
minimum distance =  2.84502679429978 Angstroms
sigma value = 1


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

Energy: 0.8781039471871595
Energy: 0.8930065875592683
Energy: 0.761315920458995
Energy: 0.7844102012640288
Energy: 0.9823054848629924
Energy: 0.8171927238027346
Energy: 0.7929772097203439
Energy: 0.6290246552811675
Energy: 0.6300945002688152
Energy: 0.7401918375845965
Energy: 0.6289340651525311
Energy: 0.6299158872893919
Energy: 0.8478514932766236
Energy: 0.6491782186983337
Energy: 0.629692687180696
Energy: 0.8488532458209938
Energy: 0.6491115731413156
Energy: 0.6851942740036866
Energy: 0.7946442505338731
Energy: 0.6755471363988003
Energy: 0.8021188596598037
Energy: 0.6624783487023252
Energy: 0.7045469837158586
Energy: 0.8090976133739665
Energy: 0.845324373869558
Energy: 0.6718004928098635
Energy: 0.6744709584702667
Energy: 0.8324975555641647
Energy: 0.6778307895750274
Energy: 0.6693477089419367
Energy: 0.7671476602645608
Energy: 0.6776068146226427
Energy: 0.695692385132031
Energy: 0.7692610034328349
Energy: 0.6738511369289171
Energy: 0.6967644520844513
Energy: 0.7692115100728917
Energy: 0.7136998656246861
Energy: 0.678736221530419
Energy: 0.724548248113518
Energy: 0.715044904461942
Energy: 0.6905983509967731
Energy: 0.7886184521322421
Energy: 0.7203474150919374
Energy: 0.71943050602167
Energy: 0.7537952592238847
Energy: 0.7517910070421017
Energy: 0.717290296521372
Energy: 0.7010772873613623
Energy: 0.6935662981825755
Energy: 0.6920069338739671
Energy: 0.6906250272197103
Energy: 0.6969367956586222
Energy: 0.6983064664374072
Energy: 0.7042224130543011
Energy: 0.6451240538185122
Energy: 0.6486848256063954
Energy: 0.6756045731878482
Energy: 0.645040112523728
Energy: 0.6470093545567297
Energy: 0.8395634219734615
Energy: 0.7993339307957131
Energy: 0.7949602002069802
Energy: 0.8398740571133172
Energy: 0.7958828904342672
Energy: 0.8245465983219086
Energy: 0.6680836095539793
Energy: 0.6906003926510002
Energy: 0.6216024606178637
Energy: 0.6645786132392476
Energy: 0.7089151908477714
Energy: 0.6292203561451412
Energy: 0.6477110816389708
Energy: 0.6299247434760195
Energy: 0.6214769410744915
Energy: 0.6479549063810517
Energy: 0.7705977053026509
Energy: 0.6296990687934566
Energy: 0.7714400221528989
Energy: 0.8056337411194675
Energy: 0.8050617472695998
Energy: 0.7696780424949671
Energy: 0.7786354594547965
Energy: 0.8532269413416204
Energy: 0.6516997764139434
Energy: 0.6300491456830414
Energy: 0.6298054516625984
Energy: 0.6506189281777034
Energy: 0.6848358191432752
Energy: 0.6521427444880091
Energy: 0.6848396345889755
Energy: 0.7268662005563333
Energy: 0.7288898490630087
Energy: 0.6815725003305784
Energy: 0.694750256551683
Energy: 0.6761495693552945
Energy: 0.769733795978048
Energy: 0.7590905726780347
Energy: 0.7580056829969897
Energy: 0.7704267641637697
Energy: 0.7773278967888183
Energy: 0.6648565437066475
Energy: 0.7335424210921491
Energy: 0.6840987749703032
Energy: 0.6933281097462379
Energy: 0.7236094084871891
Energy: 0.7043754691591748
Energy: 0.6950736793544732
Energy: 0.7439295771836938
Energy: 0.6973000285815664
Energy: 0.6916281074347832
Energy: 0.7233371855978448
Energy: 0.7263281644221048
Energy: 0.6877606131239585
Energy: 0.8471718926605433
Energy: 0.6981470177455189
Energy: 0.7051223064317242
Energy: 0.8327959376751581
Energy: 0.7235515545700268
Energy: 0.6864355554976774
Energy: 0.7832530272934958
Energy: 0.7428694990641143
Energy: 0.7883926298151578
Energy: 0.7363036072934154
Energy: 0.7492578161063503
Energy: 0.797086506938301
Energy: 0.803953643657437
Energy: 0.6615180064568781
Energy: 0.6796799680731413
Energy: 0.8191339478197603
Energy: 0.6608487657599597
Energy: 0.7320817407155918
Energy: 0.7929409835165313
Energy: 0.6495913224442049
Energy: 0.6522571776380218
Energy: 0.7833262174688945
Energy: 0.6484539079499034
Energy: 0.6528292512653433

minimum gb energy = 0.6214769410744915 eV
minimum distance =  2.45353223393447 Angstroms
sigma value = 33


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

Energy: 1.0558209097654168
Energy: 0.8118892194992935
Energy: 0.8162852223029549
Energy: 0.8563828085974091
Energy: 0.890103013627414
Energy: 0.8095979510818545
Energy: 0.8725341420900454
Energy: 0.6569861536206181
Energy: 0.6542581311370832
Energy: 0.8455400830421481
Energy: 0.6652924779603697
Energy: 0.666518482840393
Energy: 0.7894489098252292
Energy: 0.6879802675262217
Energy: 0.6821112754306004
Energy: 0.7833509534007134
Energy: 0.6885812859030731
Energy: 0.7064442310381026
Energy: 0.7736296809106827
Energy: 0.7124978803204068
Energy: 0.702284037862704
Energy: 0.7354121209269051
Energy: 0.7076026473796659
Energy: 0.733036910401537
Energy: 0.8881400445328358
Energy: 0.7041218611035788
Energy: 0.7001773469117575
Energy: 0.79831001997534
Energy: 0.7031876770944804
Energy: 0.7024567914576499
Energy: 0.7894959882451357
Energy: 0.6953226699034121
Energy: 0.6975197873731698
Energy: 0.7718625204158032
Energy: 0.7227808896530011
Energy: 0.7760407212334502
Energy: 0.7858114629827639
Energy: 0.7526600685536514
Energy: 0.6974851629027082
Energy: 0.7818454168658607
Energy: 0.747036419263964
Energy: 0.7117811783668867
Energy: 0.8034212178987311
Energy: 0.7032628743909106
Energy: 0.7026509878182227
Energy: 0.771998945624854
Energy: 0.7038174575640515
Energy: 0.6997594624534816
Energy: 0.7179104150863107
Energy: 0.7152786123763188
Energy: 0.7140638826454805
Energy: 0.6851976765404802
Energy: 0.7164228333954304
Energy: 0.6989543214220572
Energy: 0.7150692148428399
Energy: 0.6751993235411388
Energy: 0.7173972790449776
Energy: 0.7011503563944008
Energy: 0.77455151814927
Energy: 0.7073960505218007
Energy: 0.8313133571540956
Energy: 0.8810060241551925
Energy: 0.8394418166062041
Energy: 0.7602206345158368
Energy: 0.8628093634626068
Energy: 0.8137585184354981
Energy: 0.7163071766424604
Energy: 0.7587983058894161
Energy: 0.7369523274974771
Energy: 0.7165100108394927
Energy: 0.7851874668420669
Energy: 0.6615739421333492
Energy: 0.6877092489818123
Energy: 0.6910270632879688
Energy: 0.691221442143104
Energy: 0.6868094128390535
Energy: 0.7099518146254481
Energy: 0.6939844473466595
Energy: 0.762450355655967
Energy: 0.7845160886483423
Energy: 0.7844965064505462
Energy: 0.7669634660535875
Energy: 0.7820399066322211
Energy: 0.7335094959728305
Energy: 0.7072801645446306
Energy: 0.7179639704236924
Energy: 0.7022892942563483
Energy: 0.6915176723297323
Energy: 0.7815494827687923
Energy: 0.7010548995535297
Energy: 0.7310301372409991
Energy: 0.7645246307638273
Energy: 0.7677405808443117
Energy: 0.7281365232416742
Energy: 0.7755133555781055
Energy: 0.6993564275351076
Energy: 0.8185723632911948
Energy: 0.8331226144701601
Energy: 0.8230002292408573
Energy: 0.7827203417954719
Energy: 0.831438045229546
Energy: 0.7549988958627043
Energy: 0.7433561463343381
Energy: 0.719751402222355
Energy: 0.7121178979572945
Energy: 0.719775309188853
Energy: 0.7475339481547045
Energy: 0.7182658685853817
Energy: 0.7517169455167496
Energy: 0.6986377651274579
Energy: 0.6950533918386678
Energy: 0.726475711600957
Energy: 0.7007909935965756
Energy: 0.710174775375458
Energy: 0.8775859397344621
Energy: 0.6990029090118203
Energy: 0.7006930092517839
Energy: 0.8635545595690067
Energy: 0.6989614425332947
Energy: 0.6916298207339575
Energy: 0.7693532599297245
Energy: 0.7863765449777291
Energy: 0.8329977383585004
Energy: 0.8943776081561877
Energy: 0.8079632108757834
Energy: 0.8590006032560443
Energy: 0.8560906416371563
Energy: 0.6652865136676197
Energy: 0.6661043085101218
Energy: 0.8561285670644102
Energy: 0.7057548875708948
Energy: 0.66644938537404
Energy: 0.7928011804895645
Energy: 0.6637534756554127
Energy: 0.6649065997525617
Energy: 0.6968787917288086
Energy: 0.6635209696747099
Energy: 0.6651477593363933
Energy: 0.7814491923688424
Energy: 0.980573627064141
Energy: 0.9972146209197255
Energy: 0.7838677880286571
Energy: 0.9777878105087818
Energy: 0.7831764361473159
Energy: 0.7998729195117584
Energy: 0.7053610336589528
Energy: 0.7050456450449384
Energy: 0.7165958494062765
Energy: 0.7035499478204917
Energy: 0.6976758531196584
Energy: 0.8347402710509383
Energy: 0.697421202619405
Energy: 0.6927658526160129
Energy: 0.8266402105409476
Energy: 0.722725660444236
Energy: 0.7689148037383448
Energy: 0.7783611661408659
Energy: 0.8155677985363928
Energy: 0.8184039439399732
Energy: 0.8422332345081374
Energy: 0.7829553252118103
Energy: 0.826906535100475
Energy: 0.8592951759364024
Energy: 0.7239001930471178
Energy: 0.7209258182595966
Energy: 0.8661183236841653
Energy: 0.7200982706247498
Energy: 0.7311180108350053
Energy: 0.7303566088315241
Energy: 0.7140638754232986
Energy: 0.7044138122922821
Energy: 0.7232946132641228
Energy: 0.720364814268398
Energy: 0.7249643102323758
Energy: 0.7294668147040321
Energy: 0.7189881666465022
Energy: 0.7186045908818561
Energy: 0.7228538668746307
Energy: 0.7237331930730948
Energy: 0.7158871969419153
Energy: 0.7665892073465764
Energy: 0.8201139362711151
Energy: 0.7780832926115185
Energy: 0.7412287785519656
Energy: 0.8188667736317005
Energy: 0.8325758093165058
Energy: 0.706125861611183
Energy: 0.758972416008274
Energy: 0.7325590739145696
Energy: 0.7037527238378696
Energy: 0.6846050988801584
Energy: 0.6683383008724896
Energy: 0.6711942757354386
Energy: 0.6834040559702956
Energy: 0.6839665766007738
Energy: 0.6652950713429335
Energy: 0.7145397435837009
Energy: 0.6737156060084406
Energy: 0.9635056987185949
Energy: 0.7830803750939467
Energy: 0.7840082675837265
Energy: 0.9559859710944627
Energy: 0.7819601363929376
Energy: 0.7793014282176539
Energy: 0.7136003869693408
Energy: 0.7082222930133947
Energy: 0.7064916984697953
Energy: 0.7041918577152304
Energy: 0.731802946600683
Energy: 0.7094586399528564
Energy: 0.7407753045376089
Energy: 0.7724746139403313
Energy: 0.7723046441307984
Energy: 0.7283243710228083
Energy: 0.7184029624404754
Energy: 0.7095428611955317
Energy: 0.7829570560985003
Energy: 0.8201702451691988
Energy: 0.8296573057166148
Energy: 0.7663214175022588
Energy: 0.8231284708830109
Energy: 0.8193096410085674
Energy: 0.7525060170677085
Energy: 0.7183036678877477
Energy: 0.7576907870688757
Energy: 0.7265181358099464
Energy: 0.8176914964069936
Energy: 0.7595989514067062
Energy: 0.743559957223653
Energy: 0.7158523430691852
Energy: 0.7151645592168675
Energy: 0.7199993192133478
Energy: 0.7144549761869506
Energy: 0.7055109262121203
Energy: 0.8368180277286901
Energy: 0.701989295280101
Energy: 0.6806302273224539
Energy: 0.7463939022916388
Energy: 0.7000846728935042
Energy: 0.7259730588812265
Energy: 0.8389358310761508
Energy: 0.6978100318147973
Energy: 0.6256569318546035
Energy: 0.805040481121432
Energy: 0.6937016939286416
Energy: 0.6529404419988709

minimum gb energy = 0.6256569318546035 eV
minimum distance =  2.4591490416049 Angstroms
sigma value = 51


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

Energy: 0.9039450879081843
Energy: 0.8997556368544583
Energy: 0.8979690485967664
Energy: 0.8293061632763046
Energy: 1.0102850192990536
Energy: 0.816010480729682
Energy: 0.8225026814997581
Energy: 0.673123004231305
Energy: 0.6733222053369398
Energy: 0.7737021366740471
Energy: 0.6733467200854624
Energy: 0.658501591652817
Energy: 0.8052084373701126
Energy: 0.6702952920522511
Energy: 0.6636057047442567
Energy: 0.7609290676954904
Energy: 0.6703002065065119
Energy: 0.6650925319412407
Energy: 0.8014123441663961
Energy: 0.6869505180554721
Energy: 0.6704182496874099
Energy: 0.796212951320274
Energy: 0.8410361354085303
Energy: 0.7722557018482116
Energy: 0.843933164699817
Energy: 0.7351602445659944
Energy: 0.716449716100271
Energy: 0.7975006729329007
Energy: 0.7248100074829054
Energy: 0.7113240733320401
Energy: 0.7322267747139832
Energy: 0.7200505818903966
Energy: 0.7409371325496081
Energy: 0.7272939700905848
Energy: 0.73153259691105
Energy: 0.6967074115738339
Energy: 0.7325062225999333
Energy: 0.7636481737364017
Energy: 0.7519651863577608
Energy: 0.7270237960923462
Energy: 0.6589588562427681
Energy: 0.7213021731792318
Energy: 0.7856402495516571
Energy: 0.840972932124192
Energy: 0.8278753205619567
Energy: 0.7711006680797198
Energy: 0.8609661008166448
Energy: 0.6153711432330577
Energy: 0.6806198739986172
Energy: 0.7588609937616927
Energy: 0.7754525684345684
Energy: 0.6806409922001944
Energy: 0.6115525422975387
Energy: 0.7372995222715276
Energy: 0.6926541674112919
Energy: 0.7513003349520655
Energy: 0.7243476797854709
Energy: 0.6929897724038985
Energy: 0.6580099015701011
Energy: 0.6659154685895152
Energy: 0.6656572800719305
Energy: 0.8596932992455009
Energy: 0.8606792686684027
Energy: 0.6656013299956927
Energy: 0.860139014448446
Energy: 0.7929698685744175
Energy: 0.6988394766501772
Energy: 0.7528541826019539
Energy: 0.7246068501569448
Energy: 0.6962840023891026
Energy: 0.701481382468831
Energy: 0.6581020908531099
Energy: 0.6908050181782753
Energy: 0.755435426785929
Energy: 0.7429533821849487
Energy: 0.6864220910237132
Energy: 0.7618725954645428
Energy: 0.684978056518813
Energy: 0.7243981045433119
Energy: 0.8003073727765369
Energy: 0.8011052255283607
Energy: 0.7165378793667646
Energy: 0.8073442355441955
Energy: 0.7989826383939017
Energy: 0.7485557774375482
Energy: 0.7770341387883003
Energy: 0.7747735740416979
Energy: 0.7484117146403607
Energy: 0.7893370219891299
Energy: 0.7622682892635795
Energy: 0.7469578800046462
Energy: 0.6969406407413242
Energy: 0.7151718662365382
Energy: 0.7474251755341395
Energy: 0.7133172291306836
Energy: 0.7218129361614644
Energy: 0.8456241455546126
Energy: 0.6980348701004746
Energy: 0.6980140306842237
Energy: 0.7724255476651372
Energy: 0.6970213928577429
Energy: 0.7181520673995765
Energy: 0.8591714186148197
Energy: 0.7066465999316869
Energy: 0.6348006739907793
Energy: 0.8217912608465126
Energy: 0.6904296968389536
Energy: 0.6347386531652747

minimum gb energy = 0.6115525422975387 eV
minimum distance =  2.5891638944892 Angstroms
sigma value = 19


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

Energy: 0.7580884797265822
Energy: 0.5912275033521062
Energy: 0.7175778824391886
Energy: 0.7023567766120563
Energy: 0.8800255483013079
Energy: 0.7005693309575985
Energy: 0.764886654344082
Energy: 0.6207034542460321
Energy: 0.6206567075276969
Energy: 0.77839113434977
Energy: 0.6201791092136051
Energy: 0.6203442532648359
Energy: 0.8338987717439637
Energy: 0.6467026261266963
Energy: 0.6458459537713639
Energy: 0.7706104790707309
Energy: 0.645998668526884
Energy: 0.6460550840764997
Energy: 0.6590053654351413
Energy: 0.6463222445705413
Energy: 0.6458637924929651
Energy: 0.6373096033850747
Energy: 0.646488473337322
Energy: 0.6461202533460741
Energy: 0.8326753688915453
Energy: 0.7195070992604948
Energy: 0.720679221373118
Energy: 0.7796708525029876
Energy: 0.7162030710540893
Energy: 0.721203656118867
Energy: 0.6959829452504235
Energy: 0.5842625258752132
Energy: 0.6925133668328685
Energy: 0.7009641112129521
Energy: 0.5840772952070057
Energy: 0.6672135184719207
Energy: 0.6963465055488798
Energy: 0.7595981188239662
Energy: 0.6680006868814183
Energy: 0.7016628617523591
Energy: 0.8138819366897067
Energy: 0.6663224995471178
Energy: 0.6785906695877839
Energy: 0.7402695987746615
Energy: 0.7146866625866782
Energy: 0.6800022601673149
Energy: 0.7406995481546323
Energy: 0.6873117231388638
Energy: 0.6220318195818817
Energy: 0.7167179622656453
Energy: 0.6884501542973686
Energy: 0.6219064156040734
Energy: 0.741752369930943
Energy: 0.6882173866166559
Energy: 0.6188404438507825
Energy: 0.7216271920614306
Energy: 0.620325793508814
Energy: 0.6193388373276489
Energy: 0.8097981834430981
Energy: 0.6193716028657126
Energy: 0.8768227332281516
Energy: 0.6372446804195258
Energy: 0.636599294980368
Energy: 0.8758240920016392
Energy: 0.6368638325065205
Energy: 0.953967068805528
Energy: 0.728988383830262
Energy: 0.7221779208949293
Energy: 0.7221366846228593
Energy: 0.7471004432976888
Energy: 0.8094571465709951
Energy: 0.7222784349334058
Energy: 0.5821071004817161
Energy: 0.6678157187411841
Energy: 0.7342406665814817
Energy: 0.5823504694903398
Energy: 0.6665866542136686
Energy: 0.690849071678125
Energy: 0.700536144109794
Energy: 0.6690488522244613
Energy: 0.6694495450392935
Energy: 0.714950678612323
Energy: 0.698863557727906
Energy: 0.6696943888952408
Energy: 0.7640779104228076
Energy: 0.669239553717004
Energy: 0.7530528840561318
Energy: 0.7422379375093691
Energy: 0.6696326936457765
Energy: 0.6882584765767888
Energy: 0.762516885330278
Energy: 0.6636679982415282
Energy: 0.7206871521291776
Energy: 0.7410545006882701
Energy: 0.6653387307658916
Energy: 0.7153836097152898
Energy: 0.8324784494663859
Energy: 0.6190939779966718
Energy: 0.6199200933789656
Energy: 0.7793543579164021
Energy: 0.6183954975637327
Energy: 0.6200906752644231
Energy: 0.6586153433810172
Energy: 0.6463081271348355
Energy: 0.6464846630474069
Energy: 0.636564353617763
Energy: 0.6466121526385799
Energy: 0.646007877439157
Energy: 0.6687484331873347
Energy: 0.7481152065488593
Energy: 0.748090433188477
Energy: 0.6367074089831349
Energy: 0.7482760990549248
Energy: 0.7483336116884786
Energy: 0.7011978759128289
Energy: 0.5839450595055542
Energy: 0.6341832062824111
Energy: 0.6770767981559469
Energy: 0.5839358337596281
Energy: 0.6335235231153932
Energy: 0.6937178517865391
Energy: 0.6324852795800587
Energy: 0.6306985836445361
Energy: 0.668704352644516
Energy: 0.6656925461863895
Energy: 0.669672103679116
Energy: 0.6969431486929141
Energy: 0.7780038952487259
Energy: 0.7220011261532421
Energy: 0.702538319349343
Energy: 0.777426566374914
Energy: 0.7220764537106972
Energy: 0.6796939484430278
Energy: 0.7009770901645553
Energy: 0.7008762134866129
Energy: 0.6800735618255559
Energy: 0.7020724138128773
Energy: 0.7092891502915631
Energy: 0.6201478917390081
Energy: 0.7764400015940347
Energy: 0.6893636748343044
Energy: 0.621000977524003
Energy: 0.717146432275922
Energy: 0.6205311764547802
Energy: 0.646359037222058
Energy: 0.7219027029847827
Energy: 0.6460331862654597
Energy: 0.646478736166212
Energy: 0.6893253805958293
Energy: 0.6461100107846439
Energy: 0.6793823278324431
Energy: 0.6369651876167054
Energy: 0.6367943105236737
Energy: 0.6640946823632131
Energy: 0.637574539622442
Energy: 0.732527903726439
Energy: 0.6966547587028964
Energy: 0.7223708109876945
Energy: 0.7213830244355165
Energy: 0.6459556768410458
Energy: 0.7797246623686023
Energy: 0.7211296168538319
Energy: 0.5837239295503809
Energy: 0.6664518664259025
Energy: 0.6675435664449261
Energy: 0.5838748491465278
Energy: 0.7013520187621562
Energy: 0.6674862791661519
Energy: 0.8306031919712494
Energy: 0.7023027280525649
Energy: 0.7026017359167518
Energy: 0.8092816428158831
Energy: 0.7018383028287114
Energy: 0.667144106800982
Energy: 0.7629809084522062
Energy: 0.737283930863607
Energy: 0.7109152553079584
Energy: 0.7409799726070068
Energy: 0.6791410493111155
Energy: 0.690357967532904

minimum gb energy = 0.5821071004817161 eV
minimum distance =  2.52786800530629 Angstroms
sigma value = 27


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

Energy: 0.6194355520500031
Energy: 0.771149372818431
Energy: 0.7733898843006919
Energy: 0.6062746252796923
Energy: 1.022568500593827
Energy: 0.7708054797805077
Energy: 0.6862657645381065
Energy: 0.5993658836092229
Energy: 0.5995221090183948
Energy: 0.5449949892143671
Energy: 0.5995469930517737
Energy: 0.5995292747384049
Energy: 0.8214483205249793
Energy: 0.5959126677676961
Energy: 0.5967334984307145
Energy: 0.5938599823267555
Energy: 0.5963797669626649
Energy: 0.5751911045746473
Energy: 0.8081064962110143
Energy: 0.6708442744438333
Energy: 0.6345301914942428
Energy: 0.5914912964445006
Energy: 0.7328145679411313
Energy: 0.6730703185913984
Energy: 0.7519551872931215
Energy: 0.6216352010706104
Energy: 0.5728692975269384
Energy: 0.5746163726465383
Energy: 0.6340622436071234
Energy: 0.5730407188105607
Energy: 0.5795139408007937
Energy: 0.6227669477578851
Energy: 0.6240022446762271
Energy: 0.5799673350401497
Energy: 0.6151558413617237
Energy: 0.5540960204585985
Energy: 0.6314345891325325
Energy: 0.563333898758559
Energy: 0.5651120822397605
Energy: 0.6301773578530081
Energy: 0.5732274749138232
Energy: 0.6311494981670277
Energy: 0.5994920240643614
Energy: 0.7090146362895972
Energy: 0.6515794589595353
Energy: 0.5995002425970462
Energy: 0.7505882089404465
Energy: 0.550791310398631
Energy: 0.637267360033136
Energy: 0.6605414581835685
Energy: 0.5648296201460766
Energy: 0.6344132434550207
Energy: 0.6554485661542933
Energy: 0.564459413583094
Energy: 0.5484106819723983
Energy: 0.5995390871665817
Energy: 0.5971908814511657
Energy: 0.6138439348673774
Energy: 0.6336981388445915
Energy: 0.5969105303637501
Energy: 0.6107991341777931
Energy: 0.615041738431534
Energy: 0.6158389044381436
Energy: 0.5954393108976194
Energy: 0.6133110779194938
Energy: 0.5972706116014251
Energy: 0.6862657642780075
Energy: 0.6208718754989835
Energy: 0.5960272495599751
Energy: 0.544640357356073
Energy: 0.6210980527850709
Energy: 0.5635553344985164

minimum gb energy = 0.544640357356073 eV
minimum distance =  2.63212758721706 Angstroms
sigma value = 9


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

Energy: 0.9157892266101963
Energy: 0.9287178434844193
Energy: 0.7041839314255789
Energy: 0.808006785273705
Energy: 1.0521159257583526
Energy: 0.8059529471385739
Energy: 0.7303153522009482
Energy: 0.5229334473631583
Energy: 0.52277251224473
Energy: 0.5112120527670899
Energy: 0.5229762228975939
Energy: 0.49112529853592385
Energy: 0.6161919669064185
Energy: 0.49051791282202273
Energy: 0.49205421333578286
Energy: 0.5043079575251863
Energy: 0.4903243425131768
Energy: 0.4923550366772427
Energy: 0.614654500077854
Energy: 0.48985397250704626
Energy: 0.5116159857262043
Energy: 0.49975394305500265
Energy: 0.5690417348339757
Energy: 0.5035453527261623
Energy: 0.6653477829819379
Energy: 0.5466781026576017
Energy: 0.4821687941172268
Energy: 0.5343176407920713
Energy: 0.5460719241181797
Energy: 0.49032640780389564
Energy: 0.4902354514346533
Energy: 0.4939306246201356
Energy: 0.4701788648774115
Energy: 0.4915715739141909
Energy: 0.5720506752693334
Energy: 0.47022602832747623
Energy: 0.5052182413529618
Energy: 0.47780004192080117
Energy: 0.5052673030794854
Energy: 0.504944328943868
Energy: 0.48197094192825857
Energy: 0.5031282564930936
Energy: 0.49708340885198743
Energy: 0.4990055836840976
Energy: 0.5125274014344071
Energy: 0.49700884024075975
Energy: 0.5741977492815965
Energy: 0.4972571749896285
Energy: 0.6717725173297305
Energy: 0.5087015741718027
Energy: 0.48083924791200505
Energy: 0.5793110318390288
Energy: 0.5241675174204394
Energy: 0.5893320968090245
Energy: 0.7202756445825116
Energy: 0.5470289564701849
Energy: 0.505572752479681
Energy: 0.49378592235546437
Energy: 0.6555592643359455
Energy: 0.5019730737136784
Energy: 0.7093161109749718
Energy: 0.4977228705362424
Energy: 0.4982372749601164
Energy: 0.49420906163698164
Energy: 0.4972397667077333
Energy: 0.49779473955476095
Energy: 0.7086566642375702
Energy: 0.5028330214188086
Energy: 0.5029017203331759
Energy: 0.4903298042075118
Energy: 0.5025636266749858
Energy: 0.49045827301079187
Energy: 0.809256548681277
Energy: 0.8550580632986214
Energy: 0.6419764509082793
Energy: 0.7344507441989986
Energy: 0.8549280930095049
Energy: 0.7333732057589459
Energy: 0.6867287241623034
Energy: 0.5061768874509438
Energy: 0.5027890166420723
Energy: 0.6003063564503589
Energy: 0.5795738549703056
Energy: 0.5879314259385149
Energy: 0.5152400987122407
Energy: 0.4980715368862297
Energy: 0.4983127219680383
Energy: 0.5158588269236354
Energy: 0.49741538425180654
Energy: 0.6202492437844972
Energy: 0.4971022371036036
Energy: 0.4534834127834714
Energy: 0.521002705751419
Energy: 0.4971562720522994
Energy: 0.4945523465778541
Energy: 0.4923021058423577
Energy: 0.52546712465988
Energy: 0.6212568611597166
Energy: 0.5684570573924208
Energy: 0.525411205458318
Energy: 0.5219718555468406
Energy: 0.5245395555032375
Energy: 0.6040287813355312
Energy: 0.6325839306053149
Energy: 0.48586804549395257
Energy: 0.6040360766863149
Energy: 0.5789778269344183
Energy: 0.4860267908473026
Energy: 0.5028117677856381
Energy: 0.4675092835252069
Energy: 0.522100477653201
Energy: 0.4810206213435523
Energy: 0.49560461804025085
Energy: 0.49224036616320577
Energy: 0.4834175711595115
Energy: 0.48695952143059945
Energy: 0.48795560549645056
Energy: 0.481912993680733
Energy: 0.4826060858234742
Energy: 0.48744869407214086
Energy: 0.5730226623240474
Energy: 0.4878815148454292
Energy: 0.4903468596810563
Energy: 0.5090889846428448
Energy: 0.48399348619285637
Energy: 0.4900946956217802
Energy: 0.8678230565699246
Energy: 0.5855197779694011
Energy: 0.5042143069265164
Energy: 0.6673526548954852
Energy: 0.6041185355080813
Energy: 0.7068890177260073
Energy: 0.8202949486756103
Energy: 0.5252806127968435
Energy: 0.5231337920296611
Energy: 0.5433091963971379
Energy: 0.524730185434668
Energy: 0.5029185622053366
Energy: 0.48518403193391835
Energy: 0.49235194733800913
Energy: 0.4920347430455759
Energy: 0.5137289902964692
Energy: 0.4918525409475555
Energy: 0.4758336455113482
Energy: 0.610887666328482
Energy: 0.5167814587280596
Energy: 0.5166853713374542
Energy: 0.5811699286011209
Energy: 0.5170119722368166
Energy: 0.5832505240086371
Energy: 0.6640981573984256
Energy: 0.4935429150149156
Energy: 0.5545360258962474
Energy: 0.4894986174585681
Energy: 0.5063686741115025
Energy: 0.6001289501161766
Energy: 0.8447792508283337
Energy: 0.6505554714208571
Energy: 0.6512265518413224
Energy: 0.8448422237811166
Energy: 0.651296458849035
Energy: 0.7384232279901407
Energy: 0.4894686078172879
Energy: 0.48929545240066763
Energy: 0.5605597299992311
Energy: 0.48998331043154225
Energy: 0.50003058337561
Energy: 0.4909458924736198
Energy: 0.5000852321003658
Energy: 0.5324026079216444
Energy: 0.6082390288301182
Energy: 0.5000743311305977
Energy: 0.531312688413329
Energy: 0.49738625394262886
Energy: 0.7024689982822598
Energy: 0.49523512012314924
Energy: 0.5122947277132845
Energy: 0.6843535743410368
Energy: 0.49495692968823146
Energy: 0.4849102506675059
Energy: 0.7086794350902605
Energy: 0.477507079454787
Energy: 0.47748015487814915
Energy: 0.4945791640874543
Energy: 0.5166819463331349
Energy: 0.5120643105877755
Energy: 0.7192320735510659
Energy: 0.49822494483353247
Energy: 0.4982852336599245
Energy: 0.4939817865936946
Energy: 0.49790260960419064
Energy: 0.5742963659163719
Energy: 0.5634644807840545
Energy: 0.5060772301024613
Energy: 0.5062877649317932
Energy: 0.4810404931027528
Energy: 0.5053926370840619
Energy: 0.5055756992701355
Energy: 0.8200936806385781
Energy: 0.49039796613039216
Energy: 0.4909850367066672
Energy: 0.5807688863441157
Energy: 0.4905657223926994
Energy: 0.6424791021479974
Energy: 0.7638394861484521
Energy: 0.4903366167976299
Energy: 0.49048704741507604
Energy: 0.5194445829237611
Energy: 0.6099825068131006
Energy: 0.5198571086706736
Energy: 0.5514966381390042
Energy: 0.49870550142521813
Energy: 0.5130004786256633
Energy: 0.5514890736435016
Energy: 0.4986592469934001
Energy: 0.5130278732417853
Energy: 0.49713145438059125
Energy: 0.5122602753220846
Energy: 0.472421087668762
Energy: 0.4974376697084645
Energy: 0.5122282906578199
Energy: 0.49234758699610137
Energy: 0.5255298198372318
Energy: 0.48244517358612826
Energy: 0.5043906102414271
Energy: 0.5227334860242624
Energy: 0.5339797909959587
Energy: 0.5225770794594877
Energy: 1.0514755607800503
Energy: 0.7268568095200322
Energy: 0.7259137294628372
Energy: 1.0519251594508459
Energy: 0.7278507323647029
Energy: 0.8016172876837013
Energy: 0.6033940237868936
Energy: 0.4829139062591089
Energy: 0.5154952143500532
Energy: 0.6006295292023341
Energy: 0.5379027722850245
Energy: 0.5250537763854329
Energy: 0.4824050208888075
Energy: 0.48977635381989776
Energy: 0.45833237717969155
Energy: 0.480169981212825
Energy: 0.4883003223509733
Energy: 0.48328878533494574
Energy: 0.48739416835984767
Energy: 0.4835690122698791
Energy: 0.4883192978891442
Energy: 0.489041505279086
Energy: 0.48286197620905624
Energy: 0.48813260454131724
Energy: 0.8195028416283527
Energy: 0.5231506771715042
Energy: 0.5231590941769404
Energy: 0.5434952724004046
Energy: 0.5226786731330935
Energy: 0.5573718747811978

minimum gb energy = 0.4534834127834714 eV
minimum distance =  2.5416325293004 Angstroms
sigma value = 57


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

Energy: 0.16004743690243847
Energy: 0.1701143838077681
Energy: 0.36042322366185847
Energy: 0.1612740330546733
Energy: 0.5398711887628428
Energy: 0.1609868932310289
Energy: 0.16142932605907492
Energy: 0.22130057073520842
Energy: 0.21870319130555607
Energy: 0.2146097889250288
Energy: 0.21591864221734314
Energy: 0.2176188017017494
Energy: 0.2552830884594559
Energy: 0.215960038823245
Energy: 0.21593542601340676
Energy: 0.21583894610512108
Energy: 0.21579277534300986
Energy: 0.2160319853150697
Energy: 0.2557723785305833
Energy: 0.2161792778463673
Energy: 0.21582182002564648
Energy: 0.2545683953684459
Energy: 0.25542349753585825
Energy: 0.2147980685868743
Energy: 0.25093242707554997
Energy: 0.16074885467987893
Energy: 0.18445991581044768
Energy: 0.347430529944171
Energy: 0.16134558566325538
Energy: 0.21987903594782518
Energy: 0.21673646896570753
Energy: 0.16131637999349463
Energy: 0.1616687658604537
Energy: 0.1893363251844275
Energy: 0.16160085054946272
Energy: 0.18425776419294929
Energy: 0.209953262624037
Energy: 0.18869514238926352
Energy: 0.22148392078404622
Energy: 0.2130949500465908
Energy: 0.2227094824611267
Energy: 0.22101335922954946
Energy: 0.21463093161128952
Energy: 0.2547725530635499
Energy: 0.2541608142943553
Energy: 0.21466324117301383
Energy: 0.25447163909406156
Energy: 0.21458790266159833
Energy: 0.25139839814862125
Energy: 0.21627426871131433
Energy: 0.21530945906987864
Energy: 0.21599466829217814
Energy: 0.2152131308706523
Energy: 0.2161451872380077
Energy: 0.16129452918474182
Energy: 0.3084659881841118
Energy: 0.18510517919784328
Energy: 0.16149976596428392
Energy: 0.21511271241962468
Energy: 0.18442739341700196
Energy: 0.16134160062808064
Energy: 0.18925037632926217
Energy: 0.18978538907539547
Energy: 0.16143821914488088
Energy: 0.1881702010671997
Energy: 0.18464323580774283
Energy: 0.25528472514175043
Energy: 0.21652226193310575
Energy: 0.21660036960994508
Energy: 0.21374270113327576
Energy: 0.2159120898329012
Energy: 0.22171738710239655
Energy: 0.6967258911370917
Energy: 0.2555155990395327
Energy: 0.25334997168164847
Energy: 0.5646669610619209
Energy: 0.2553513016367556
Energy: 0.5643348136052683
Energy: 0.2533164238604686
Energy: 0.2164952372455586
Energy: 0.2168008530201035
Energy: 0.25386604837020116
Energy: 0.21540570781137577
Energy: 0.21677004091846294
Energy: 0.2560527498302311
Energy: 0.16140388647100318
Energy: 0.16118821982033477
Energy: 0.25657223111250504
Energy: 0.1615508993830377
Energy: 0.16221413031525858
Energy: 0.21535271304166403
Energy: 0.22185368936335476
Energy: 0.2204313312046543
Energy: 0.2159361934507915
Energy: 0.16122822681414486
Energy: 0.21847622836619768
Energy: 0.21588094120219656
Energy: 0.2532001061775923
Energy: 0.2162470602521529
Energy: 0.21589635558585907
Energy: 0.21568892961510658
Energy: 0.21600877292883816
Energy: 0.2558038294415489
Energy: 0.2542765814490348
Energy: 0.2537790363206643
Energy: 0.25554588936695843
Energy: 0.25454349886776173
Energy: 0.21489498214717612
Energy: 0.1612158925864292
Energy: 0.18949810822405727
Energy: 0.21854747617776965
Energy: 0.16135638579175224
Energy: 0.21599434029003733
Energy: 0.2168164318465578

minimum gb energy = 0.16004743690243847 eV
minimum distance =  2.7221039671787 Angstroms
sigma value = 11


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

Energy: 0.7809871026701035
Energy: 0.9384622464121244
Energy: 0.7297733035266011
Energy: 0.7226066621290536
Energy: 1.044957880642323
Energy: 0.720758314808734
Energy: 0.6217946772270967
Energy: 0.4156597616301057
Energy: 0.45472687192179057
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Energy: 0.4049483802385403
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Energy: 0.448527372137316
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Energy: 0.42834814531780435
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Energy: 0.5192226664034595
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Energy: 0.6420461874841474
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Energy: 0.4730124458627547
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Energy: 0.46836827262165204
Energy: 0.47255719825429365
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Energy: 0.6185326570968864
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Energy: 0.6496072609274193
Energy: 0.5965049253063675
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Energy: 0.6797883670593798
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Energy: 0.47303159261121785
Energy: 0.44779096556561204
Energy: 0.45349989324740475
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Energy: 0.6577619095300469
Energy: 0.47011780564196043
Energy: 0.4731973453543467
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Energy: 0.4717373855778544
Energy: 0.4472949897163551
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Energy: 0.6616240300974672
Energy: 0.5117689404353598
Energy: 0.5529522148437583
Energy: 0.6671346007518054
Energy: 0.6495996229715046
Energy: 0.45432770621434226
Energy: 0.5091590290678565
Energy: 0.4471851694557368
Energy: 0.4542181422168116
Energy: 0.4748423783745151
Energy: 0.7911556196133068
Energy: 0.72430215768637
Energy: 0.7237238974617687
Energy: 0.7913176898604987
Energy: 0.7247143464638375
Energy: 0.7168567230398083
Energy: 0.4263016450316124
Energy: 0.44298166519498194
Energy: 0.5274919355095505
Energy: 0.42613767604697866
Energy: 0.442865195608204
Energy: 0.4743030122172136
Energy: 0.43192011044658096
Energy: 0.413138308245569
Energy: 0.4329529257629272
Energy: 0.4377196059175267
Energy: 0.4131270363023222
Energy: 0.4305364304936269
Energy: 0.44530276389446427
Energy: 0.41363937848550103
Energy: 0.4130191289589744
Energy: 0.44561073574796356
Energy: 0.41252136185700605
Energy: 0.49412638029544953
Energy: 0.7999154259210348
Energy: 0.4356750284287846
Energy: 0.518487322854408
Energy: 0.6115864690514184
Energy: 0.4202501475672697
Energy: 0.45921923412859733

minimum gb energy = 0.39760316356542824 eV
minimum distance =  2.5564163764443 Angstroms
sigma value = 41


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

Energy: 0.7947631515071942
Energy: 0.811285153630035
Energy: 0.8105741432764204
Energy: 0.7711138925251565
Energy: 0.9905482389629537
Energy: 0.760955595036458
Energy: 0.8002257966562795
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Energy: 0.5221907468599953
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Energy: 0.5728158286915226
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Energy: 0.49297886259750784
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Energy: 0.5083110563503298
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Energy: 0.4673231623630671
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Energy: 0.46875187524795586
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Energy: 0.9807348853943726
Energy: 0.7863634371812023
Energy: 0.7796008223484057
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Energy: 0.7786665941027603
Energy: 0.7031664752466513
Energy: 0.638208971965033
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Energy: 0.48355517653985947
Energy: 0.4732049382758719
Energy: 0.4967607554470022
Energy: 0.5253023027507118
Energy: 0.5404649565168963
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Energy: 0.5295099385082743
Energy: 0.5396780363382444
Energy: 0.5306589698633799
Energy: 0.48775900826332796
Energy: 0.6374960270938967
Energy: 0.48865612780845
Energy: 0.4932930921230406
Energy: 0.4679501257235435
Energy: 0.479911121215819
Energy: 0.49406054541756417
Energy: 0.6336570559249669
Energy: 0.525664443250487
Energy: 0.5161732677580748
Energy: 0.4612903910905726
Energy: 0.6697513594383584
Energy: 0.5204511638642347
Energy: 0.6492487525651557
Energy: 0.6690966496378551
Energy: 0.6692034772584481
Energy: 0.6300417419791945
Energy: 0.8433844560855216
Energy: 0.582252325368438
Energy: 0.7714755099588035
Energy: 0.4970148291062732
Energy: 0.49812758665629187
Energy: 0.5737299459285378
Energy: 0.4349030288200773
Energy: 0.5399034791058804
Energy: 0.6802642062666395
Energy: 0.7636234958534317
Energy: 0.6860556905397034
Energy: 0.6802738233518764
Energy: 0.7671072847279495
Energy: 0.5908072163487074
Energy: 0.47811573598525176
Energy: 0.5154452703162397
Energy: 0.5382606838834786
Energy: 0.47833408627393614
Energy: 0.5134857296913597
Energy: 0.5014077045930032
Energy: 0.5220091366664703
Energy: 0.639284067050494
Energy: 0.5185056380288268
Energy: 0.5222422875465633
Energy: 0.4682826498313398
Energy: 0.5178616529299701
Energy: 0.6018178321260964
Energy: 0.46755169723017515
Energy: 0.46723741257871687
Energy: 0.5777083222509565
Energy: 0.46725883157653786
Energy: 0.4833343126613864
Energy: 0.7776254769530826
Energy: 0.4675920457136321
Energy: 0.4339713301754445
Energy: 0.42994522511162014
Energy: 0.6323047160441884
Energy: 0.4927406911344968

minimum gb energy = 0.42994522511162014 eV
minimum distance =  2.57705338409328 Angstroms
sigma value = 33


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

Energy: 0.6234344228030706
Energy: 0.718099780669945
Energy: 0.7187049340098604
Energy: 0.6253543292524527
Energy: 0.6412674004904152
Energy: 0.7187053660999823
Energy: 0.9071051897728504
Energy: 0.5134364458324955
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Energy: 0.5366463591161332
Energy: 0.5120929197495736
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Energy: 0.5115011949738236
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Energy: 0.4936426928654716
Energy: 0.5313873998801109
Energy: 0.5166104338064907
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Energy: 0.4748164767195872
Energy: 0.5781938675630819
Energy: 0.6087797354865381
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Energy: 0.5790313212680849
Energy: 0.7181887861984637
Energy: 0.6441909029122341
Energy: 0.6449603509660041
Energy: 0.6103336404476326
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Energy: 0.509521293834747
Energy: 0.5356873957256458
Energy: 0.9091057532487453
Energy: 0.6271464248677122
Energy: 0.7114602583833942
Energy: 0.45733594128202276
Energy: 0.6271771867209608
Energy: 0.6989363760096522

minimum gb energy = 0.45733594128202276 eV
minimum distance =  2.56974188881901 Angstroms
sigma value = 67


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

Energy: 0.7343067929717499
Energy: 0.4632568433723502
Energy: 0.4631253364487079
Energy: 0.7350241326798714
Energy: 0.7232875265543041
Energy: 0.4627346797686266
Energy: 0.7589165684131615
Energy: 0.4667802043178199
Energy: 0.47789978293880364
Energy: 0.47706677730558933
Energy: 0.4775976805229133
Energy: 0.47715496631240234
Energy: 0.5997593812918709
Energy: 0.4392573264027233
Energy: 0.47359458870342486
Energy: 0.6028883613732287
Energy: 0.43933573572573514
Energy: 0.4735845889727821
Energy: 0.5413188198557516
Energy: 0.4737792634920336
Energy: 0.4686823663883437
Energy: 0.5419991014288974
Energy: 0.47356263693518613
Energy: 0.4728517411157241
Energy: 0.5414826723516626
Energy: 0.4777177739838409
Energy: 0.4770457335917731
Energy: 0.5418941504957466
Energy: 0.47745922176142325
Energy: 0.4890757373971603
Energy: 0.5417169642056682
Energy: 0.45564764235174576
Energy: 0.5304514557272829
Energy: 0.5417563073104172
Energy: 0.5915021247878447
Energy: 0.5411279789281265
Energy: 0.7588647282712939
Energy: 0.47708868110622255
Energy: 0.4781203418450025
Energy: 0.5486049127580247
Energy: 0.4766162983193088
Energy: 0.47689842943113103

minimum gb energy = 0.4392573264027233 eV
minimum distance =  2.62431817242062 Angstroms
sigma value = 3


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

Energy: 0.9515852053305047
Energy: 0.8799705185118709
Energy: 0.7191039559160818
Energy: 0.9483282294256044
Energy: 0.9955562143751518
Energy: 0.6593631687125927
Energy: 0.7409296079866189
Energy: 0.7009500563194259
Energy: 0.6162632149633258
Energy: 0.6517310263543504
Energy: 0.7015069217725161
Energy: 0.6093404830863917
Energy: 0.6850110511702246
Energy: 0.7179993834500906
Energy: 0.5960048772490399
Energy: 0.6854859174250966
Energy: 0.6003218021438015
Energy: 0.6162683744532466
Energy: 0.5438908078811453
Energy: 0.5424401944794558
Energy: 0.5441561715426095
Energy: 0.5441874059685444
Energy: 0.5961788173038224
Energy: 0.5443552594276962
Energy: 0.562356995764963
Energy: 0.5456632123085376
Energy: 0.5443387829334765
Energy: 0.562412733860065
Energy: 0.6391714293403976
Energy: 0.5412170052827262
Energy: 0.6666006466287228
Energy: 0.6384066265802688
Energy: 0.634650563202976
Energy: 0.6675948527077118
Energy: 0.6771950986803695
Energy: 0.6352095814749109
Energy: 0.6149196553996071
Energy: 0.6689518896963639
Energy: 0.6386372423696829
Energy: 0.6332024225914678
Energy: 0.6504291908287703
Energy: 0.6513315661220958
Energy: 0.8952173408963802
Energy: 0.8782437510182575
Energy: 0.6881378587358798
Energy: 0.5749201531978813
Energy: 0.8940463343617903
Energy: 0.7286286756336483
Energy: 0.7773802958267269
Energy: 0.6689769065764564
Energy: 0.6393130564492772
Energy: 0.6910872111853718
Energy: 0.655581487094299
Energy: 0.6662081120312844
Energy: 0.7616592483688747
Energy: 0.5531401674555686
Energy: 0.5529250655373552
Energy: 0.7573133096894484
Energy: 0.5533824605919518
Energy: 0.7358304623560239
Energy: 0.6525646217111527
Energy: 0.6846362504343831
Energy: 0.5962778063934825
Energy: 0.6525153217248073
Energy: 0.6823266365925706
Energy: 0.6240697365846456
Energy: 0.6461139793182172
Energy: 0.6412735165769907
Energy: 0.634091233700734
Energy: 0.6545597891151741
Energy: 0.6832168774935727
Energy: 0.6385857286481309
Energy: 0.71470284060869
Energy: 0.5510656587352061
Energy: 0.5510330285202857
Energy: 0.7165602794727121
Energy: 0.5511754237364702
Energy: 0.5414021059740579
Energy: 0.6355706929032727
Energy: 0.5387987151555859
Energy: 0.5391534253713643
Energy: 0.6970435361346708
Energy: 0.5440025763586119
Energy: 0.5422057858800283
Energy: 0.7899227434527534
Energy: 0.5580813941899744
Energy: 0.5535673918046833
Energy: 0.7714595226357208
Energy: 0.5615549227987185
Energy: 0.6688880901739792
Energy: 0.7593870495573682
Energy: 0.6015153580980547
Energy: 0.571700581352445
Energy: 0.7394563255347996
Energy: 0.6397563447513658
Energy: 0.5792018203209817
Energy: 0.7554913515675366
Energy: 0.6216232423550483
Energy: 0.62080021798719
Energy: 0.756920034333752
Energy: 0.6204102730539114
Energy: 0.7836796798195534
Energy: 0.7769941155585771
Energy: 0.6702392815164988
Energy: 0.6110922869450328
Energy: 0.778034638452642
Energy: 0.6584955171118428
Energy: 0.6188440455729308
Energy: 0.859258732059146
Energy: 0.6868885397049184
Energy: 0.5770992385879357
Energy: 0.8134673155862563
Energy: 0.6858209987833421
Energy: 0.5534091140682408
Energy: 0.834473874634942
Energy: 0.5919942094315017
Energy: 0.576496693222966
Energy: 0.8138294240425188
Energy: 0.5919878244913623
Energy: 0.5533236446135309
Energy: 0.5925179859390726
Energy: 0.6043008509733142
Energy: 0.6066810252607235
Energy: 0.6261368033271116
Energy: 0.5891744784678322
Energy: 0.6158977895964874
Energy: 0.5991336448829121
Energy: 0.7278351852951606
Energy: 0.6194183330622418
Energy: 0.6155572297829077
Energy: 0.7090657674939228
Energy: 0.6197766462792984
Energy: 0.5881201271917731
Energy: 0.6801766651650749
Energy: 0.6028250191338105
Energy: 0.5883587998262337
Energy: 0.6567747793841325
Energy: 0.5863496365827318
Energy: 0.5910998303134234
Energy: 0.5746095653054997
Energy: 0.5424027330500084
Energy: 0.5911104428108102
Energy: 0.7064249902961874
Energy: 0.5954679819965606
Energy: 0.7512465250885031
Energy: 0.617213247831358
Energy: 0.5756797267788801
Energy: 0.7393622065510832
Energy: 0.6549390159624385
Energy: 0.571701674738636
Energy: 0.9694351128165026
Energy: 0.8600759329907257
Energy: 0.6708803896780319
Energy: 0.7257614533738205
Energy: 0.9195131642633276
Energy: 0.6106689629336511
Energy: 0.839333673577017
Energy: 0.7586008150510849
Energy: 0.6745539079864626
Energy: 0.7199237888951499
Energy: 0.7412478660953957
Energy: 0.5946903079100634
Energy: 0.6781954722786008
Energy: 0.5747987030802951
Energy: 0.5745409423661406
Energy: 0.6704113190951762
Energy: 0.6591458911125767
Energy: 0.577071323105436
Energy: 0.5540685690255247
Energy: 0.6032868960361111
Energy: 0.5323304614933855
Energy: 0.5538698479865944
Energy: 0.5955597829100184
Energy: 0.5575398679680387
Energy: 0.5408774301002103
Energy: 0.6157708315460586
Energy: 0.5461662930850042
Energy: 0.5420097826897633
Energy: 0.6942104924658989
Energy: 0.5463082226016346
Energy: 0.5613798954293144
Energy: 0.7957770730088547
Energy: 0.5412732806123617
Energy: 0.5616382092038097
Energy: 0.7959757142614309
Energy: 0.551109500653594
Energy: 0.6135500805927437
Energy: 0.6691901718173978
Energy: 0.6333365964526622
Energy: 0.6806596510252915
Energy: 0.6537326133718111
Energy: 0.6317570574707926
Energy: 0.902923582059003
Energy: 0.736681599154609
Energy: 0.6347471764960071
Energy: 0.5741446898612829
Energy: 0.7369493009857142
Energy: 0.5893143035135646
Energy: 0.857732403076594
Energy: 0.6343200890777306
Energy: 0.6321869364422601
Energy: 0.7950599921029982
Energy: 0.7208101641576385
Energy: 0.6366494450885192
Energy: 0.7767001457467396
Energy: 0.6761911029509245
Energy: 0.596297353462628
Energy: 0.7748745791486852
Energy: 0.6923806002710272
Energy: 0.6286447461016127
Energy: 0.6805638062049231
Energy: 0.5526640533324715
Energy: 0.5527453383527506
Energy: 0.68100987792014
Energy: 0.5466612726626319
Energy: 0.6261969866456314
Energy: 0.6738540332250103
Energy: 0.632533278095905
Energy: 0.6318176692286244
Energy: 0.6524376992407767
Energy: 0.657460865480383
Energy: 0.6374845030036277
Energy: 0.7426453535500646
Energy: 0.5508434344204437
Energy: 0.5548634149455599
Energy: 0.7517821594730704
Energy: 0.554954519451182
Energy: 0.5555815955463219
Energy: 0.634269225702725
Energy: 0.5451063900638542
Energy: 0.5418826464627721
Energy: 0.6603087578595748
Energy: 0.5445319994148606
Energy: 0.5463296602179458
Energy: 0.7987499553616788
Energy: 0.5541357290420127
Energy: 0.5536413408707328
Energy: 0.6727885977981465
Energy: 0.5543360348986359
Energy: 0.5441618826643483
Energy: 0.7708043999775263
Energy: 0.6234524160575681
Energy: 0.5713872595392271
Energy: 0.7470315897606435
Energy: 0.6770249123569452
Energy: 0.5713806371338196
Energy: 0.7941751606096785
Energy: 0.6337973186263413
Energy: 0.6333210622825992
Energy: 0.7936487870156652
Energy: 0.6327834577215686
Energy: 0.617007127236517
Energy: 0.8336117720056966
Energy: 0.621203210580801
Energy: 0.6202574820236827
Energy: 0.8336090401166296
Energy: 0.5742765191930744
Energy: 0.6743296078802433
Energy: 0.7898419936941156
Energy: 0.6042948074367657
Energy: 0.5712786353400721
Energy: 0.7480462077832448
Energy: 0.6355879757971804
Energy: 0.5717634596785283
Energy: 0.8371992200811884
Energy: 0.5907058727676688
Energy: 0.599566110320123
Energy: 0.836853046887682
Energy: 0.5908189433187768
Energy: 0.5996589036127856
Energy: 0.5989228127308722
Energy: 0.6056363786376613
Energy: 0.5909446738471235
Energy: 0.660571588403271
Energy: 0.603160718713093
Energy: 0.5872881406888105
Energy: 0.7183369823073592
Energy: 0.6197911737746687
Energy: 0.6198850799814758
Energy: 0.7097649560895986
Energy: 0.5815232308357319
Energy: 0.6201322069119938
Energy: 0.5889823249447643
Energy: 0.685316317621435
Energy: 0.6245693124089194
Energy: 0.5889372142396875
Energy: 0.6987725532712356
Energy: 0.6127396985454145
Energy: 0.5914301066184792
Energy: 0.542997690884505
Energy: 0.5767174766715204
Energy: 0.5915830298171588
Energy: 0.5687258270682533
Energy: 0.5764813398813815
Energy: 0.7302297333578944
Energy: 0.5689321517598834
Energy: 0.5689277041410233
Energy: 0.730580274429948
Energy: 0.6371866011655697
Energy: 0.5768293739732652
Energy: 0.7407788281870773
Energy: 0.707884879472409
Energy: 0.6138319221407718
Energy: 0.6734419095890244
Energy: 0.7065076703042126
Energy: 0.6094976705383675

minimum gb energy = 0.5323304614933855 eV
minimum distance =  2.54520612594522 Angstroms
sigma value = 81


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

Energy: 1.039253778890758
Energy: 0.6257243983242682
Energy: 0.6245042162340967
Energy: 0.5809473400439985
Energy: 0.8040883784154111
Energy: 0.6247590000494967
Energy: 0.5909632596757712
Energy: 0.6436855351547908
Energy: 0.6324527304620705
Energy: 0.6151583933209698
Energy: 0.6440946575979584
Energy: 0.6105662661414368
Energy: 0.7205017927516825
Energy: 0.5978564911793838
Energy: 0.597468504259601
Energy: 0.7205852138392681
Energy: 0.597903944257804
Energy: 0.6615896185754304
Energy: 0.580968183162386
Energy: 0.6856313905061661
Energy: 0.5724578545143211
Energy: 0.5809464155489247
Energy: 0.5985307544658012
Energy: 0.56745065068642
Energy: 0.5699726391557189
Energy: 0.5806834265902276
Energy: 0.642547277595614
Energy: 0.5803841411458086
Energy: 0.6329841326784805
Energy: 0.5813587947867872
Energy: 0.7299316646054946
Energy: 0.6035756653555097
Energy: 0.6060830032045023
Energy: 0.7391653374748436
Energy: 0.6027638318933097
Energy: 0.620890922078928
Energy: 0.731805622751175
Energy: 0.5964102393768633
Energy: 0.5971235585593423
Energy: 0.5746344383481955
Energy: 0.593680988265415
Energy: 0.6017171452267573
Energy: 0.8630063032142095
Energy: 0.9338261668102492
Energy: 0.923370766624835
Energy: 0.6704361093536968
Energy: 0.9344747851953211
Energy: 0.5324515251374049
Energy: 0.6937473654250704
Energy: 0.6122573323533405
Energy: 0.6004879966122126
Energy: 0.5642147516020477
Energy: 0.6200841522400481
Energy: 0.5879998645081382
Energy: 0.6489359470333396
Energy: 0.5181938229511617
Energy: 0.5186909651294891
Energy: 0.6360782067678193
Energy: 0.5184320552128654
Energy: 0.5885833888600502
Energy: 0.5923943230644916
Energy: 0.5184410911318772
Energy: 0.518368782872049
Energy: 0.5952286116779069
Energy: 0.5675533083444579
Energy: 0.5841419706147069
Energy: 0.5963394801413079
Energy: 0.687794148104834
Energy: 0.6792714441069659
Energy: 0.5983353313345711
Energy: 0.6140603474058343
Energy: 0.6810772703054763
Energy: 0.7238912869659042
Energy: 0.5999468405009618
Energy: 0.5794401474477013
Energy: 0.5979527990921986
Energy: 0.6001009382745627
Energy: 0.5359141934412747
Energy: 0.6084057660307849
Energy: 0.5847214155939647
Energy: 0.5846759914748166
Energy: 0.6052651000709738
Energy: 0.5929433393457576
Energy: 0.5861597182610794
Energy: 0.8314178630581042
Energy: 0.5841567550739805
Energy: 0.6628494770361473
Energy: 0.5945884281160587
Energy: 0.5903131750757038
Energy: 0.6589872120607803
Energy: 0.598047948306805
Energy: 0.5977163378941986
Energy: 0.595833062827877
Energy: 0.5982483497339166
Energy: 0.582641781070937
Energy: 0.5979484519577064
Energy: 0.8514882586361164
Energy: 0.6322450610339305
Energy: 0.5345652948814763
Energy: 0.8514954297765208
Energy: 0.6656795715105777
Energy: 0.5964868651574781
Energy: 0.6998110631094169
Energy: 0.5821973348859198
Energy: 0.5808395016763949
Energy: 0.7555834755157256
Energy: 0.5809686420072884
Energy: 0.6269372675823479
Energy: 0.6177875979544042
Energy: 0.6015725075506158
Energy: 0.5183726493288916
Energy: 0.6904400839499624
Energy: 0.7026287393207227
Energy: 0.5183674708744169
Energy: 0.9784589640568829
Energy: 0.5942479054826745
Energy: 0.5187231016552445
Energy: 0.5183570573389306
Energy: 0.594140802696533
Energy: 0.5185538982168886
Energy: 0.5708906618957614
Energy: 0.5832126795560594
Energy: 0.5823409584876078
Energy: 0.6400820365067859
Energy: 0.5947523007064501
Energy: 0.5825873144239858
Energy: 0.6163413071590387
Energy: 0.7264603270593006
Energy: 0.5335111336879848
Energy: 0.6164506445870082
Energy: 0.7226762087728639
Energy: 0.5702633877831745
Energy: 0.57804721509014
Energy: 0.6186193066462681
Energy: 0.6157878171919857
Energy: 0.578948252103584
Energy: 0.594556828183061
Energy: 0.5960867843766179
Energy: 0.5973278305145068
Energy: 0.6197013260268072
Energy: 0.6108162452191267
Energy: 0.5977921277755057
Energy: 0.6287281431590003
Energy: 0.5880210502149672
Energy: 0.7040518389455349
Energy: 0.5970802867715749
Energy: 0.5973500740446772
Energy: 0.6996662798864112
Energy: 0.6069771573834406
Energy: 0.5939885530653376
Energy: 0.8238748370687557
Energy: 0.6002280778945779
Energy: 0.6691100816327646
Energy: 0.5938049343228667
Energy: 0.7244956190734887
Energy: 0.6655749288817241
Energy: 0.8233224341633093
Energy: 0.6878688930430336
Energy: 0.6789114576250824
Energy: 0.6029945557526663
Energy: 0.6603581391879219
Energy: 0.6784600806063968
Energy: 0.701026453351873
Energy: 0.5296504433635617
Energy: 0.5881228341815544
Energy: 0.7015736372425644
Energy: 0.5939920867418507
Energy: 0.5842088218674489
Energy: 0.5981264967110873
Energy: 0.5180785392269652
Energy: 0.5182153230733713
Energy: 0.594105106740803
Energy: 0.5177143669397235
Energy: 0.6038875003208041
Energy: 0.5834014965170378
Energy: 0.7268006565431853
Energy: 0.623701177660398
Energy: 0.5640352094413408
Energy: 0.6201067721824404
Energy: 0.6018593067274113
Energy: 0.725648181361104
Energy: 0.7573700532500204
Energy: 0.757735056064259
Energy: 0.7268530500218163
Energy: 0.7576958940421648
Energy: 0.6983220255627292
Energy: 0.5941985381710447
Energy: 0.5647073261188588
Energy: 0.5688570319027724
Energy: 0.5927167482892982
Energy: 0.5855552786750743
Energy: 0.5715503753355924
Energy: 0.8407642667297076
Energy: 0.5747119512279957
Energy: 0.5854104619829825
Energy: 0.8541990467836549
Energy: 0.5744956884203627
Energy: 0.6261255474465821
Energy: 0.6067819406093619
Energy: 0.6445827659977502
Energy: 0.6465590407120339
Energy: 0.7861790685983056
Energy: 0.7328699506289732
Energy: 0.6070092092306072
Energy: 0.7053892553651188
Energy: 0.6381310614150505
Energy: 0.6276382656408371
Energy: 0.7055889741332027
Energy: 0.5934098982347176
Energy: 0.590796865900206
Energy: 0.8537500688062507
Energy: 0.6094412772088226
Energy: 0.6092570283632628
Energy: 0.8447400536587283
Energy: 0.6094858846433947
Energy: 0.722936879418361
Energy: 0.6461855220033936
Energy: 0.6278730500769538
Energy: 0.6076947298685123
Energy: 0.6059003325752944
Energy: 0.6437171939292161
Energy: 0.6075567098387044
Energy: 1.0385660265109864
Energy: 0.6848479154452008
Energy: 0.6247159746129908
Energy: 0.5804450643324554
Energy: 0.6934851198844691
Energy: 0.6251507330796093

minimum gb energy = 0.5177143669397235 eV
minimum distance =  2.58871362140862 Angstroms
sigma value = 43


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

Energy: 1.0298807575762017
Energy: 0.8581710118065842
Energy: 0.759522441431569
Energy: 0.6187340212604912
Energy: 0.9733892766363008
Energy: 0.6185218173723286
Energy: 0.7114155129570335
Energy: 0.7009737923945664
Energy: 0.6889167315862886
Energy: 0.6882259067978674
Energy: 0.6854006616231366
Energy: 0.6373701091021441
Energy: 0.5700864590165782
Energy: 0.6156718589427578
Energy: 0.572759895020125
Energy: 0.570014721572476
Energy: 0.6153326853770085
Energy: 0.5717389247371548
Energy: 0.5510975888666687
Energy: 0.5726648405177966
Energy: 0.5588867804318761
Energy: 0.5504630885251737
Energy: 0.6901141721002846
Energy: 0.5510170008473836
Energy: 0.5903251410222585
Energy: 0.7215528420363266
Energy: 0.6392514138717511
Energy: 0.5902256700055142
Energy: 0.6828277034278385
Energy: 0.5861219235151639
Energy: 0.7358018931685442
Energy: 0.5957211120566699
Energy: 0.592207055711409
Energy: 0.7496584567504941
Energy: 0.5772039095851327
Energy: 0.6787278775485911
Energy: 0.6516580916903624
Energy: 0.5508415335502167
Energy: 0.5509717349352179
Energy: 0.6819226555934133
Energy: 0.5509237506858236
Energy: 0.5719688457317817
Energy: 0.8796271193846809
Energy: 0.5506267801806813
Energy: 0.5507087559321057
Energy: 0.567798410775551
Energy: 0.55099499776932
Energy: 0.5876750973577985
Energy: 0.6666573859512878
Energy: 0.5928297159454899
Energy: 0.6291635689774935
Energy: 0.6670297559054061
Energy: 0.6308664177398885
Energy: 0.647373338191024
Energy: 0.788957961176053
Energy: 0.637858815179868
Energy: 0.6379437581695812
Energy: 0.6907897019597042
Energy: 0.6378691667749161
Energy: 0.637915408948661
Energy: 0.8132453077945334
Energy: 0.6859036625385847
Energy: 0.6558490972190439
Energy: 0.7399879486385021
Energy: 0.7030350480234125
Energy: 0.6758452528759054
Energy: 0.7222943075414703
Energy: 0.6221213302670037
Energy: 0.5852264968869313
Energy: 0.7192390885016233
Energy: 0.6975562577544374
Energy: 0.5717573271122427
Energy: 0.7745168517631987
Energy: 0.621866029343874
Energy: 0.5699089037571649
Energy: 0.527132845925575
Energy: 0.6218665445743288
Energy: 0.5697837389108757
Energy: 0.6651584979929356
Energy: 0.6458506471494194
Energy: 0.6537741151110896
Energy: 0.666373843551797
Energy: 0.6308242464440732
Energy: 0.6738724446434882
Energy: 0.5482018207821064
Energy: 0.7962892926804274
Energy: 0.5480436673744972
Energy: 0.5482201206806683
Energy: 0.7568557386127824
Energy: 0.5482952045070496
Energy: 0.5417474422615424
Energy: 0.6153563397824537
Energy: 0.5513058028660263
Energy: 0.5414704600792727
Energy: 0.6199040083321957
Energy: 0.5479743372291109
Energy: 0.5346353688665361
Energy: 0.5685979127703498
Energy: 0.5346316185746893
Energy: 0.5345344283035212
Energy: 0.6998641331984305
Energy: 0.5348701472881643
Energy: 0.6663489688890908
Energy: 0.6986432094255491
Energy: 0.6589963462658747
Energy: 0.6662092064946418
Energy: 0.6602324738010652
Energy: 0.6633017975467224
Energy: 0.8230624954371109
Energy: 0.656248530005305
Energy: 0.6195914974853615
Energy: 0.702041671891212
Energy: 0.6459515624034607
Energy: 0.5827428522501064
Energy: 0.8465596906190342
Energy: 0.7582886008886235
Energy: 0.6325664330809142
Energy: 0.6342913693370814
Energy: 0.7669479045287924
Energy: 0.5826595650599817
Energy: 0.7027616207418158
Energy: 0.6762053964323955
Energy: 0.6818447275473091
Energy: 0.666389213452081
Energy: 0.6639075760969743
Energy: 0.646932176756872
Energy: 0.7473686738804706
Energy: 0.5674885041851507
Energy: 0.5674680146877363
Energy: 0.7481296250427429
Energy: 0.5263422283280965
Energy: 0.6451863492825571
Energy: 0.6411148089451102
Energy: 0.6519556192165065
Energy: 0.6726303188388455
Energy: 0.64130126095799
Energy: 0.6292726402569271
Energy: 0.6709057912926419
Energy: 0.6660113779963134
Energy: 0.7233593530074909
Energy: 0.739691354605903
Energy: 0.7209647176563365
Energy: 0.7234488068406029
Energy: 0.6568175851576614
Energy: 0.651362664523906
Energy: 0.5350481808739812
Energy: 0.5281744782130473
Energy: 0.6510348825074809
Energy: 0.534890494807309
Energy: 0.5282754011433612
Energy: 0.6301596036511402
Energy: 0.5480391709893736
Energy: 0.5348891939758806
Energy: 0.681313712487884
Energy: 0.5482975566450733
Energy: 0.5821672401045632
Energy: 0.6268021025939763
Energy: 0.7177129741607572
Energy: 0.7179464285323944
Energy: 0.6266430574305855
Energy: 0.7374725149041306
Energy: 0.6795957385280436
Energy: 0.6110971919497189
Energy: 0.6688120872854534
Energy: 0.6507697945878615
Energy: 0.6139890768009653
Energy: 0.6661336774788948
Energy: 0.5799407176271227
Energy: 0.624962851868891
Energy: 0.5922505837126635
Energy: 0.5483384749263719
Energy: 0.7034684825777106
Energy: 0.531783260801853
Energy: 0.5876870650637455
Energy: 0.764820765200509
Energy: 0.6890979877375076
Energy: 0.6669271797964026
Energy: 0.6647226521350799
Energy: 0.634174027273338
Energy: 0.5936513208225122
Energy: 1.039479642849191
Energy: 0.82372573603188
Energy: 0.7686945965092281
Energy: 0.5670534570452952
Energy: 0.846550716783718
Energy: 0.7101524795654638

minimum gb energy = 0.5263422283280965 eV
minimum distance =  2.56740304485265 Angstroms
sigma value = 57


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

Energy: 0.787190211980019
Energy: 0.6301292751035493
Energy: 0.631007872483213
Energy: 0.7916843646290674
Energy: 0.7885479193159786
Energy: 0.6311187798752566
Energy: 0.7925647209630426
Energy: 0.5528127253728925
Energy: 0.6299094272739296
Energy: 0.7438459072364966
Energy: 0.5529319021065533
Energy: 0.6694068381413303
Energy: 0.7483824304147519
Energy: 0.6255562526559746
Energy: 0.7177509501300098
Energy: 0.7495219850623234
Energy: 0.6680487305226767
Energy: 0.6253737748804593
Energy: 0.5402238757368268
Energy: 0.4872940347990787
Energy: 0.4874052467595919
Energy: 0.5401649077268473
Energy: 0.6680150982135431
Energy: 0.5393052011857956
Energy: 0.5896795910895388
Energy: 0.7305246749340178
Energy: 0.7345974471807586
Energy: 0.5897928276434664
Energy: 0.6138927486481986
Energy: 0.6409149546202112
Energy: 0.7207175002098207
Energy: 0.6428691028347487
Energy: 0.6350296479697561
Energy: 0.7231586809730277
Energy: 0.5940019652842365
Energy: 0.7220926767932158
Energy: 0.7608388976249703
Energy: 0.539710242447921
Energy: 0.5399036746427359
Energy: 0.7601500504178331
Energy: 0.5398143024409499
Energy: 0.5399051373613009
Energy: 0.75474831536905
Energy: 0.6722535940843767
Energy: 0.6719444605732435
Energy: 0.7572275767416929
Energy: 0.6723728855292247
Energy: 0.5907615296603428
Energy: 0.597719029021256
Energy: 0.6297666517231869
Energy: 0.6845521327531454
Energy: 0.5974621291777549
Energy: 0.552777971615719
Energy: 0.669344757701139
Energy: 0.5514369295046663
Energy: 0.5356850551903811
Energy: 0.5358030077379364
Energy: 0.5514441686436999
Energy: 0.5385124425643405
Energy: 0.5389443673359154
Energy: 0.6517253690620627
Energy: 0.6159570527349533
Energy: 0.6523898526615113
Energy: 0.5515714006151143
Energy: 0.6906014815043948
Energy: 0.6731746267999428
Energy: 0.7926477874845683
Energy: 0.6773645513355977
Energy: 0.6732622324521372
Energy: 0.7927036566034321
Energy: 0.6561577445827049
Energy: 0.5851646634376296
Energy: 0.48748961674136987
Energy: 0.6582581447395248
Energy: 0.6774967900160449
Energy: 0.5847080737561514
Energy: 0.6581061845752411
Energy: 0.5848513950109555
Energy: 0.7926133653329746
Energy: 0.5531549921005328
Energy: 0.680490618785264
Energy: 0.5978945331981252
Energy: 0.5542410635088829
Energy: 0.696096011963803
Energy: 0.5437487603036771
Energy: 0.7852624205975283
Energy: 0.4871892595321871
Energy: 0.5399227153310504
Energy: 0.7861247091926804
Energy: 0.4871271967501647
Energy: 0.589577008274196
Energy: 0.519826623147107
Energy: 0.5655454941406547
Energy: 0.5900608138283492
Energy: 0.6111131581067808
Energy: 0.5659667209976074
Energy: 0.5928687045614367
Energy: 0.6029816875906677
Energy: 0.6033563506793292
Energy: 0.5923165851425468
Energy: 0.721733243394808
Energy: 0.6127787281710724
Energy: 0.6151724329146943
Energy: 0.5397515259640479
Energy: 0.6417786404385795
Energy: 0.6852019570216096
Energy: 0.5400977584674205
Energy: 0.6354367996866652
Energy: 0.7603532002250408
Energy: 0.5397345217524525
Energy: 0.5397519853065922
Energy: 0.7431149774862865
Energy: 0.5401196700923027
Energy: 0.5401495064732599
Energy: 0.7436045857260389
Energy: 0.7782187610308335
Energy: 0.5401279401047773
Energy: 0.7430896885069496
Energy: 0.7505015624896393
Energy: 0.5392152672281322
Energy: 0.5977465138451304
Energy: 0.5526478557568748
Energy: 0.6617713528386209
Energy: 0.5977221663534634
Energy: 0.5527116129392242
Energy: 0.6959340480256005
Energy: 0.8019968123750961
Energy: 0.5399256073894454
Energy: 0.5836533933053278
Energy: 0.8016330957660329
Energy: 0.5387827650657391
Energy: 0.5839248219142404
Energy: 0.6508513844485503
Energy: 0.5531605113698614
Energy: 0.6790490024123667
Energy: 0.5977544799570178
Energy: 0.5531941918355793
Energy: 0.652823918905473
Energy: 0.48758995216444073
Energy: 0.7441155378874916
Energy: 0.6776362000760029
Energy: 0.5847265111567111
Energy: 0.7456518184204164
Energy: 0.5847571810952877

minimum gb energy = 0.4871271967501647 eV
minimum distance =  2.58846535259503 Angstroms
sigma value = 17


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

Energy: 0.8882168985482988
Energy: 0.6725384704044358
Energy: 0.6723667775571507
Energy: 0.5552430030163297
Energy: 0.777542032958759
Energy: 0.5544060832310086
Energy: 0.6872345171714809
Energy: 0.6427219409264686
Energy: 0.6349708763177837
Energy: 0.7070557517748062
Energy: 0.6419236509676288
Energy: 0.5681697124179464
Energy: 0.7241270498455645
Energy: 0.5020912326402657
Energy: 0.5020071650060637
Energy: 0.7241322014540442
Energy: 0.5018145765280918
Energy: 0.5015906538285984
Energy: 0.5691400024518855
Energy: 0.5019143406123378
Energy: 0.5017280971354328
Energy: 0.5678812727619277
Energy: 0.6697430308315219
Energy: 0.5682546847180902
Energy: 0.4981914248724665
Energy: 0.5939964100284372
Energy: 0.5961754799097155
Energy: 0.49822326525421784
Energy: 0.6614907210514186
Energy: 0.5960423491914656
Energy: 0.7765342740341635
Energy: 0.4816589380771599
Energy: 0.4812502629976426
Energy: 0.6336452534698168
Energy: 0.4813611952440891
Energy: 0.45746432233109985
Energy: 0.5982329346796667
Energy: 0.4809006719115901
Energy: 0.48103056563592317
Energy: 0.5981113885358404
Energy: 0.48096710218910077
Energy: 0.48106992067614573
Energy: 0.765596477118953
Energy: 0.6670389347328953
Energy: 0.675420059372978
Energy: 0.6584349320615933
Energy: 0.6602088088823698
Energy: 0.6932575603135707
Energy: 0.48229171005668603
Energy: 0.6555466614756812
Energy: 0.5834700722829951
Energy: 0.4810506514573516
Energy: 0.6464556278994203
Energy: 0.48167882827328395
Energy: 0.481211120286516
Energy: 0.48102554658205693
Energy: 0.4809421101897172
Energy: 0.4811262749856514
Energy: 0.4811612563977841
Energy: 0.48157315618221297
Energy: 0.7151140561676885
Energy: 0.5682162189033417
Energy: 0.6124730666812369
Energy: 0.6936166280841605
Energy: 0.5674626574836283
Energy: 0.6601096084594252
Energy: 0.6921042280348347
Energy: 0.5679520327902137
Energy: 0.5682479332791082
Energy: 0.6924760314915062
Energy: 0.5682210415000912
Energy: 0.5678993100398805
Energy: 0.5947132534816666
Energy: 0.7321016447820154
Energy: 0.5684677026294621
Energy: 0.5323727456744289
Energy: 0.7317790469450455
Energy: 0.5682752000338914
Energy: 0.5761572815362832
Energy: 0.5678592847865023
Energy: 0.5685729648123414
Energy: 0.5761949140471304
Energy: 0.6743017003580528
Energy: 0.6975851879822442
Energy: 0.773191824102068
Energy: 0.5664899198327329
Energy: 0.5666619755307852
Energy: 0.7730348812474693
Energy: 0.5663701553014148
Energy: 0.6375031042192644
Energy: 0.7735938053572321
Energy: 0.6754345980492162
Energy: 0.7354690405370881
Energy: 0.706327106394271
Energy: 0.6753105972915413
Energy: 0.6351010239683679
Energy: 0.6671402424270501
Energy: 0.7456158051334811
Energy: 0.6289631412583981
Energy: 0.6666363596843469
Energy: 0.7461310232554137
Energy: 0.6293877196037938

minimum gb energy = 0.45746432233109985 eV
minimum distance =  2.58536477995645 Angstroms
sigma value = 17


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

Energy: 0.9322410149647976
Energy: 0.6567610563386863
Energy: 0.5517512362404117
Energy: 0.5536232521434743
Energy: 0.7379313109878884
Energy: 0.5533505566578909
Energy: 0.765415901631819
Energy: 0.6270175406176214
Energy: 0.6276354760077719
Energy: 0.7019780811086354
Energy: 0.6264088918032763
Energy: 0.6199773417691185
Energy: 0.6939320345286902
Energy: 0.6049510649303066
Energy: 0.5215811250906386
Energy: 0.6940762481081574
Energy: 0.6052156396968736
Energy: 0.5212141571381245
Energy: 0.6179325142272231
Energy: 0.5217483962797542
Energy: 0.5217928273241151
Energy: 0.6148771157106335
Energy: 0.595901620923556
Energy: 0.5216265504106704
Energy: 0.5705023456213413
Energy: 0.5878569641770003
Energy: 0.5873528527746301
Energy: 0.5702386872247175
Energy: 0.6438628590349751
Energy: 0.587288039903663
Energy: 0.8247029007092118
Energy: 0.4880871877309138
Energy: 0.5569972867600106
Energy: 0.6072496933160435
Energy: 0.4872275199750807
Energy: 0.6068915617681951
Energy: 0.5935041205676652
Energy: 0.4833783833725791
Energy: 0.4834213259751555
Energy: 0.5931179293456276
Energy: 0.48306390150685097
Energy: 0.48294982322364194
Energy: 0.6327503963871497
Energy: 0.5939646593107858
Energy: 0.6163033359657805
Energy: 0.6327218348268182
Energy: 0.5940546494568304
Energy: 0.6236517082050821
Energy: 0.4421871409970136
Energy: 0.600987055217745
Energy: 0.44160703903145404
Energy: 0.442092475961766
Energy: 0.6047245881307433
Energy: 0.44203216765160885
Energy: 0.44124704032951767
Energy: 0.6060890807640416
Energy: 0.6087309597140834
Energy: 0.44119676370553207
Energy: 0.602392233133719
Energy: 0.6081134080688787
Energy: 0.44227638928387575
Energy: 0.4423184718412908
Energy: 0.5313123404158058
Energy: 0.6027534845797292
Energy: 0.4419937907493516
Energy: 0.6098727233728904
Energy: 0.5871218102785879
Energy: 0.4421260216810386
Energy: 0.44177364983986916
Energy: 0.5881895996005903
Energy: 0.44186845281249154
Energy: 0.4420782057629016
Energy: 0.6049892586631167
Energy: 0.6362020192290038
Energy: 0.6491313452965525
Energy: 0.708150119103828
Energy: 0.6367163333494592
Energy: 0.6016988146481318
Energy: 0.48316825788779677
Energy: 0.6405982489741021
Energy: 0.5701431770182351
Energy: 0.4827023250918925
Energy: 0.5150479669708039
Energy: 0.4837327309701185
Energy: 0.4831237459450573
Energy: 0.600359838094756
Energy: 0.6181078837648096
Energy: 0.48307855095100616
Energy: 0.6008275625717144
Energy: 0.48410216774215764
Energy: 0.6563508372005112
Energy: 0.5708735232006973
Energy: 0.5411706345806521
Energy: 0.6423411011656385
Energy: 0.5709979118536521
Energy: 0.5873068063515372
Energy: 0.5916050188712811
Energy: 0.5755042551273394
Energy: 0.5760687187545807
Energy: 0.6803954953702878
Energy: 0.5751141260715431
Energy: 0.4939560977285806
Energy: 0.5917786578368374
Energy: 0.5717691628109184
Energy: 0.5753068690013504
Energy: 0.5920163907735414
Energy: 0.694470994744905
Energy: 0.49419112224235107
Energy: 0.727353427381432
Energy: 0.570740261072742
Energy: 0.6035231270185649
Energy: 0.7243432119672497
Energy: 0.620236101368117
Energy: 0.6752110163331306
Energy: 0.7887235188503544
Energy: 0.5656718141102891
Energy: 0.5907799830621031
Energy: 0.7889830972401871
Energy: 0.5659275018871753
Energy: 0.6651972239809489
Energy: 0.7313464428048038
Energy: 0.6863548790217272
Energy: 0.6312020765612112
Energy: 0.6869127533965631
Energy: 0.6872214534416498
Energy: 0.6269977768718853
Energy: 0.5243509076600108
Energy: 0.7202260779255295
Energy: 0.6257981672044819
Energy: 0.661628437937052
Energy: 0.7033174969779121
Energy: 0.519701920811193
Energy: 0.6533995881834416
Energy: 0.626859148605255
Energy: 0.6269673483046038
Energy: 0.5952833851126494
Energy: 0.6266908438959429
Energy: 0.6258305526579401
Energy: 0.694170464654352
Energy: 0.6819152450252991
Energy: 0.5710911225884572
Energy: 0.6512893765981667
Energy: 0.5960838555448149
Energy: 0.5708198075701865
Energy: 0.5760554800066473
Energy: 0.6052021968218084
Energy: 0.5217534349894627
Energy: 0.5732731561306287
Energy: 0.6054567100133869
Energy: 0.521663082456274
Energy: 0.6120494474896176
Energy: 0.5894000291961443
Energy: 0.5877641244912751
Energy: 0.6124981803628124
Energy: 0.6664522892774383
Energy: 0.6113474433243431
Energy: 0.5121563020803703
Energy: 0.6656376759263428
Energy: 0.5939581281877214
Energy: 0.6073132303643809
Energy: 0.6653958855547367
Energy: 0.633666372984194
Energy: 0.5877466616271231
Energy: 0.48348127976430133
Energy: 0.4833515804819177
Energy: 0.5877016719898583
Energy: 0.48312804687763367
Energy: 0.4829445617858639
Energy: 0.6558589598250296
Energy: 0.5696089952170259
Energy: 0.6092507699073322
Energy: 0.637678622001645
Energy: 0.48252617456069286
Energy: 0.6100249049340994
Energy: 0.44149011484234796
Energy: 0.593863408839768
Energy: 0.6037501662978834
Energy: 0.441479352303004
Energy: 0.5939822151124233
Energy: 0.4418512252667292
Energy: 0.44193793384783003
Energy: 0.6069538620101147
Energy: 0.6095818574628797
Energy: 0.442016046866397
Energy: 0.6072196669699875
Energy: 0.4417319639643109
Energy: 0.6928185966311232
Energy: 0.6278156514334134
Energy: 0.6284796714943902
Energy: 0.6178906251839571
Energy: 0.4420586790299896
Energy: 0.6393597210158911
Energy: 0.5764058829773888
Energy: 0.4424368561998726
Energy: 0.4423992167986976
Energy: 0.5772013708495157
Energy: 0.4422410997078304
Energy: 0.44246519126808026
Energy: 0.7644164140906041
Energy: 0.4421663619562427
Energy: 0.6318075029763586
Energy: 0.6027476000358826
Energy: 0.4413998024150367
Energy: 0.6414589470944208
Energy: 0.48351560777177
Energy: 0.6368635185826745
Energy: 0.6379894214849664
Energy: 0.48343875347832505
Energy: 0.6390320206008587
Energy: 0.5706323578296673
Energy: 0.4885817863027663
Energy: 0.6005379285056069
Energy: 0.48280980164769954
Energy: 0.48791555881381105
Energy: 0.6005360642792119
Energy: 0.48347131905827295
Energy: 0.6586008434152819
Energy: 0.48908286939434215
Energy: 0.48879733467711783
Energy: 0.6663985406576095
Energy: 0.5167619686647152
Energy: 0.48587879005112966
Energy: 0.5909500077760133
Energy: 0.5713541969556334
Energy: 0.570888943303807
Energy: 0.6222178381765667
Energy: 0.5715134164817991
Energy: 0.619819081336623
Energy: 0.5691766309740354
Energy: 0.69123740652667
Energy: 0.5919354092648408
Energy: 0.49452683709866646
Energy: 0.69300563622742
Energy: 0.5819017915792061
Energy: 0.7333746604319449
Energy: 0.5713095863853276
Energy: 0.5715382834984697
Energy: 0.7320962349403425
Energy: 0.627365330597347
Energy: 0.6080036001814433
Energy: 0.6506554660727341
Energy: 0.5658132515008497
Energy: 0.5724374025692501
Energy: 0.6504745454659194
Energy: 0.5658850347049115
Energy: 0.573351850959995
Energy: 0.728919994101594
Energy: 0.6015254657387786
Energy: 0.5725560229941998
Energy: 0.6261642035399201
Energy: 0.6204333178626757
Energy: 0.570795504257372
Energy: 0.655028796753344
Energy: 0.6267295353257036
Energy: 0.626329507988607
Energy: 0.6555454846271395
Energy: 0.6707811312368375
Energy: 0.6260856530142057

minimum gb energy = 0.44119676370553207 eV
minimum distance =  2.58492576125781 Angstroms
sigma value = 57


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

Energy: 0.8352516950748865
Energy: 0.6359265706977332
Energy: 0.5408406791588911
Energy: 0.5979285975269412
Energy: 0.6928064800321505
Energy: 0.5406814780087678
Energy: 0.7006751037697185
Energy: 0.6069474907070733
Energy: 0.6477487839655633
Energy: 0.6715495861492097
Energy: 0.6057051595644131
Energy: 0.6007354841122275
Energy: 0.6511899995018398
Energy: 0.5824523982784495
Energy: 0.4607945452397549
Energy: 0.6501691643282206
Energy: 0.5885974375519455
Energy: 0.5156186921966819
Energy: 0.5930126133931842
Energy: 0.46500094334289427
Energy: 0.5159418293038113
Energy: 0.5921213761962528
Energy: 0.6802087149999443
Energy: 0.5157289784681883
Energy: 0.5367650039103756
Energy: 0.5714652417400731
Energy: 0.5719823111521646
Energy: 0.5374294228607702
Energy: 0.5423981362816658
Energy: 0.5746998990208623
Energy: 0.7509035787226765
Energy: 0.4836321184025788
Energy: 0.5426161523050739
Energy: 0.5632759735002599
Energy: 0.49034227703916966
Energy: 0.4614737725071842
Energy: 0.6521456268199042
Energy: 0.48086987279546317
Energy: 0.4813495267572514
Energy: 0.6484561959412309
Energy: 0.48060716625303296
Energy: 0.4822196761458495
Energy: 0.6000309369993367
Energy: 0.563896719516253
Energy: 0.5644410240053203
Energy: 0.601369647713075
Energy: 0.5656597869985286
Energy: 0.6040499523251225
Energy: 0.4352285143300511
Energy: 0.5192846952809065
Energy: 0.4408666604843006
Energy: 0.4349456334832453
Energy: 0.5324068885478787
Energy: 0.44032415178664097
Energy: 0.4349730495564224
Energy: 0.580241030244011
Energy: 0.5835537252142334
Energy: 0.43485927232120536
Energy: 0.5749096598809459
Energy: 0.584713174242258
Energy: 0.5888916364919656
Energy: 0.4130636523745863
Energy: 0.4133166588486869
Energy: 0.5565741111009286
Energy: 0.4125075760933891
Energy: 0.5624323817797349
Energy: 0.560709526698161
Energy: 0.41261682105299663
Energy: 0.41298123543368187
Energy: 0.5023592679129819
Energy: 0.41283422102904116
Energy: 0.4132940246456238
Energy: 0.5899744937021861
Energy: 0.5688308121473981
Energy: 0.5882404420046917
Energy: 0.5950841092264081
Energy: 0.5656948725202792
Energy: 0.5656914049487964
Energy: 0.41354277684005264
Energy: 0.5631096042366526
Energy: 0.4131423533436306
Energy: 0.41490320280373927
Energy: 0.5808429815197143
Energy: 0.41298581777320753
Energy: 0.4135692541983174
Energy: 0.5617068285011122
Energy: 0.5618139565103066
Energy: 0.41366482811644817
Energy: 0.561606343332702
Energy: 0.5632235206012901
Energy: 0.612467986255987
Energy: 0.4347217824859475
Energy: 0.5199018375835024
Energy: 0.5810201016903519
Energy: 0.43449971070719945
Energy: 0.5865888907003871
Energy: 0.5788750614803869
Energy: 0.44001701586987796
Energy: 0.4341713172226806
Energy: 0.6167678323217602
Energy: 0.44100018587603973
Energy: 0.4348673639404158
Energy: 0.5356001724203203
Energy: 0.6143476696945592
Energy: 0.5753294203320785
Energy: 0.534203609774648
Energy: 0.6117040119591268
Energy: 0.5189568109265138
Energy: 0.48409995362059266
Energy: 0.6133340607861966
Energy: 0.48115371326024586
Energy: 0.4848021490618359
Energy: 0.6130033114902427
Energy: 0.48115797566028845
Energy: 0.6235941172654753
Energy: 0.5740295969733166
Energy: 0.5917969267408627
Energy: 0.6234700478242785
Energy: 0.5775913730190932
Energy: 0.6087964920204709
Energy: 0.6819155249652993
Energy: 0.5779160206982514
Energy: 0.5720996108378626
Energy: 0.618715730188201
Energy: 0.5857735757550108
Energy: 0.5721792925034579
Energy: 0.5595119998164696
Energy: 0.5619033334370375
Energy: 0.48876819601845095
Energy: 0.5770471402219387
Energy: 0.5615571969264075
Energy: 0.4885350572154345
Energy: 0.5524616256363407
Energy: 0.5617187953174889
Energy: 0.5619891602220196
Energy: 0.5522304319026194
Energy: 0.6761994231054246
Energy: 0.5624270249534595
Energy: 0.6877174056156529
Energy: 0.5701502149583354
Energy: 0.6030446553563529
Energy: 0.6581845636154676
Energy: 0.6811432132639826
Energy: 0.6472770794987966
Energy: 0.6678401827040588
Energy: 0.48853327285069653
Energy: 0.48824742539555654
Energy: 0.6678336680509007
Energy: 0.6105616923876137
Energy: 0.5605977931332514
Energy: 0.6907332786395902
Energy: 0.6561024383685237
Energy: 0.6100580604877268
Energy: 0.6574144006485315
Energy: 0.6547755319130555
Energy: 0.6065741919859796
Energy: 0.5094260564368616
Energy: 0.6821922463367894
Energy: 0.5916603812952052
Energy: 0.5884029812521487
Energy: 0.6675218745006947
Energy: 0.5150536256538504

minimum gb energy = 0.4125075760933891 eV
minimum distance =  2.60679993163649 Angstroms
sigma value = 43


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

Energy: 0.7719780434813265
Energy: 0.5851030532656735
Energy: 0.5160823931038342
Energy: 0.5299799028138059
Energy: 0.6110126530390858
Energy: 0.4701835818306187
Energy: 0.6140709877549249
Energy: 0.4918648234970596
Energy: 0.556514322783369
Energy: 0.5819887363391261
Energy: 0.5657035986905432
Energy: 0.5219470336957286
Energy: 0.5786044028318098
Energy: 0.5062108785192913
Energy: 0.4832296567645079
Energy: 0.5786309752418669
Energy: 0.5619800092672904
Energy: 0.4327861971910716
Energy: 0.5275100324051418
Energy: 0.5304860980360091
Energy: 0.4321073111801689
Energy: 0.5276031557709246
Energy: 0.4892427382337126
Energy: 0.4785987376511917
Energy: 0.5582360408350073
Energy: 0.5227990328706041
Energy: 0.5227230861951292
Energy: 0.5588515720109288
Energy: 0.4987993628936884
Energy: 0.45344141504701196
Energy: 0.7156924674653811
Energy: 0.45742854357787543
Energy: 0.4962530784272783
Energy: 0.49100305851171355
Energy: 0.45740211259751173
Energy: 0.5234578920692042
Energy: 0.5711350183497038
Energy: 0.4518819288494975
Energy: 0.4519533979104012
Energy: 0.5707927109603127
Energy: 0.45186533236403414
Energy: 0.49835021241369026
Energy: 0.5300055690625857
Energy: 0.4918578255864531
Energy: 0.5086320150979942
Energy: 0.535768515537452
Energy: 0.4917403126009662
Energy: 0.4598798331480703
Energy: 0.4195908851083417
Energy: 0.5090044338332629
Energy: 0.41449134511445584
Energy: 0.4194327429283703
Energy: 0.5437329029674857
Energy: 0.41432354789929654
Energy: 0.46678616467119405
Energy: 0.5224689390733627
Energy: 0.5126019361203418
Energy: 0.4711301741688526
Energy: 0.5268550425816677
Energy: 0.5132722931450798
Energy: 0.5111001184597164
Energy: 0.38775657453763945
Energy: 0.387852960080586
Energy: 0.49599583853050844
Energy: 0.3875581689462188
Energy: 0.4961694784435916
Energy: 0.5384521516823761
Energy: 0.38345025349091105
Energy: 0.38356915412771375
Energy: 0.5387355332444639
Energy: 0.3834284633684453
Energy: 0.5131025950037298
Energy: 0.5108003483373137
Energy: 0.4832611027737392
Energy: 0.5024297576546282
Energy: 0.5112628528869778
Energy: 0.48327575712762466
Energy: 0.5175328616051007
Energy: 0.3666227866358025
Energy: 0.5606517617585811
Energy: 0.36639430629237096
Energy: 0.36631156820040184
Energy: 0.5356109763838339
Energy: 0.3661095180069934
Energy: 0.36614868849431637
Energy: 0.5013284521658855
Energy: 0.5027055087978589
Energy: 0.3661568709204961
Energy: 0.5043340011676813
Energy: 0.5019688032712448
Energy: 0.486626485297336
Energy: 0.3577536102043611
Energy: 0.3578490132164105
Energy: 0.5173605410532575
Energy: 0.3577726540497798
Energy: 0.48876300280529933
Energy: 0.45825338159579015
Energy: 0.3575413584807772
Energy: 0.35775261258406943
Energy: 0.5462292602024121
Energy: 0.3576609555269523
Energy: 0.4915142560867887
Energy: 0.5068276432597286
Energy: 0.48748757956887545
Energy: 0.5036470829512715
Energy: 0.5074991234937064
Energy: 0.4900808411893287
Energy: 0.5039211662575432
Energy: 0.35771406990859894
Energy: 0.5267208909443092
Energy: 0.3580171782671524
Energy: 0.3579187943575969
Energy: 0.5260359995293855
Energy: 0.3579057916462227
Energy: 0.5068219642667007
Energy: 0.4846865568388995
Energy: 0.5070650815499916
Energy: 0.5075909482938094
Energy: 0.48242815780794673
Energy: 0.5091271400271247
Energy: 0.5006559093248903
Energy: 0.3664025839191447
Energy: 0.3662307929866138
Energy: 0.5383226960363277
Energy: 0.36644898577059176
Energy: 0.4987521237379874
Energy: 0.4645183005018481
Energy: 0.36615487908538225
Energy: 0.36606878671553805
Energy: 0.5544536368384747
Energy: 0.3659778967576008
Energy: 0.4915460406433255
Energy: 0.3835352249719068
Energy: 0.5087721488186582
Energy: 0.5010241069343145
Energy: 0.38338183770621304
Energy: 0.5114989648734004
Energy: 0.5013956101259883
Energy: 0.3840024515575587
Energy: 0.5446804234360519
Energy: 0.3837014232674065
Energy: 0.3842153853247861
Energy: 0.5390068219611326
Energy: 0.3834428968414982
Energy: 0.5195909602803948
Energy: 0.48741280174103213
Energy: 0.5096392125470953
Energy: 0.5192545812559878
Energy: 0.4877068821118278
Energy: 0.5314595107201738
Energy: 0.5518955544339631
Energy: 0.41076879813479017
Energy: 0.41084360185973917
Energy: 0.5516944018403228
Energy: 0.4105691890318334
Energy: 0.529559470885857
Energy: 0.5159044799899196
Energy: 0.41899842943698784
Energy: 0.41884592211975097
Energy: 0.49847446872736423
Energy: 0.4189221456629757
Energy: 0.5027995419093947
Energy: 0.47658593666509247
Energy: 0.4843692563915915
Energy: 0.41448540333929734
Energy: 0.5518065301292062
Energy: 0.5536797474428452
Energy: 0.5222073615602587
Energy: 0.4579170700233734
Energy: 0.519856589418568
Energy: 0.4573831729497972
Energy: 0.45729464390526386
Energy: 0.5504393694716557
Energy: 0.4572014045279075
Energy: 0.5430062429241116
Energy: 0.4992218949895128
Energy: 0.5198197903641556
Energy: 0.5429381812724118
Energy: 0.4993995181532027
Energy: 0.48103778928378965
Energy: 0.5989162446860377
Energy: 0.5294743681976387
Energy: 0.5217369223630094
Energy: 0.5988140577992825
Energy: 0.5293308785424481
Energy: 0.613671177883124
Energy: 0.7439469064555998
Energy: 0.5139298738635618
Energy: 0.5059647157591942
Energy: 0.49873073903290616
Energy: 0.5139032512891357
Energy: 0.5347011794107891
Energy: 0.569165019375592
Energy: 0.5138144850386415
Energy: 0.5140407925521292
Energy: 0.5692419510734419
Energy: 0.5144404515976562
Energy: 0.5140251987230051
Energy: 0.5794621297322757
Energy: 0.5442566749940854
Energy: 0.45424868233669413
Energy: 0.5795932611158559
Energy: 0.532392220916567
Energy: 0.5120547666595474
Energy: 0.5981284461797355
Energy: 0.5173161351266695
Energy: 0.5053750888214648
Energy: 0.5877125412512563
Energy: 0.5742629700931812
Energy: 0.45471515321815054
Energy: 0.6097701523221782
Energy: 0.5472001401494831
Energy: 0.5471933095027712
Energy: 0.5822494588947023
Energy: 0.5471196018696067
Energy: 0.5139714359146695

minimum gb energy = 0.3575413584807772 eV
minimum distance =  2.58717994062692 Angstroms
sigma value = 81


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

Energy: 0.058040395936931506
Energy: 0.10205853323903938
Energy: 0.06040476712088645
Energy: 0.05849739015898274
Energy: 0.05838788110203123
Energy: 0.06342992667092054
Energy: 0.10449135843776557
Energy: 0.05837832048998442
Energy: 0.05834826239357227
Energy: 0.1032089770484391
Energy: 0.0584341010827944
Energy: 0.0583117729694695
Energy: 0.10293169574356519
Energy: 0.060188090723451056
Energy: 0.058788743091238486
Energy: 0.10295630748984774
Energy: 0.05929317641795266
Energy: 0.104044065312178
Energy: 0.05855876257226055
Energy: 0.05946085237181771
Energy: 0.05859762529211429
Energy: 0.05866965983607191
Energy: 0.05902902005665839
Energy: 0.10423089550090603
Energy: 0.10317168847463992
Energy: 0.10413518906446168
Energy: 0.10424984674314189
Energy: 0.10369126801325669
Energy: 0.2972004223723045
Energy: 0.10447810760481314
Energy: 0.05897920490775726
Energy: 0.058389642091103346
Energy: 0.05905962017624889
Energy: 0.05823105768392803
Energy: 0.058288677346184474
Energy: 0.059157717299810196
Energy: 0.10296259619352971
Energy: 0.058436150626357465
Energy: 0.05829044881430563
Energy: 0.10303413568404225
Energy: 0.058361939021359714
Energy: 0.05840637862926696
Energy: 0.10296849257718504
Energy: 0.058738147948211736
Energy: 0.05891475165980499
Energy: 0.10282584839062671
Energy: 0.058592921806674206
Energy: 0.058569460467057625
Energy: 0.05890346839191015
Energy: 0.06034589163835005
Energy: 0.05855462839057513
Energy: 0.05848224419734353
Energy: 0.059217565711920064
Energy: 0.10393813186996999
Energy: 0.05843334716724368
Energy: 0.10432943008630176
Energy: 0.10483884207612826
Energy: 0.05991304690155892
Energy: 0.29744670593474265
Energy: 0.23632630192275328

minimum gb energy = 0.058040395936931506 eV
minimum distance =  2.71272659687412 Angstroms
sigma value = 3


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

Energy: 0.5693081486593314
Energy: 0.6811835012543307
Energy: 0.6422313825883625
Energy: 0.5700755546115415
Energy: 0.5004488571630529
Energy: 0.570584723381622
Energy: 0.5987854807394279
Energy: 0.5161688587848087
Energy: 0.5159513084521281
Energy: 0.4864666869987836
Energy: 0.48689927919655085
Energy: 0.5162390404823479
Energy: 0.5839066885551879
Energy: 0.5579899147541751
Energy: 0.5579985577762365
Energy: 0.5172920433327415
Energy: 0.5103331015454723
Energy: 0.5284898821337302
Energy: 0.5150139784462722
Energy: 0.5580072309200231
Energy: 0.557907306430628
Energy: 0.5153157676360063
Energy: 0.4523173885723339
Energy: 0.5879127511513424
Energy: 0.5154322856050969
Energy: 0.5614523866856976
Energy: 0.5615562805596832
Energy: 0.4555466335404418
Energy: 0.5161436016912287
Energy: 0.5630387337928551
Energy: 0.5560750766370621
Energy: 0.5469623623021437
Energy: 0.5579811237187414
Energy: 0.45070963493289085
Energy: 0.5960016818346623
Energy: 0.5399112809897155
Energy: 0.5354939465710936
Energy: 0.5111754831320775
Energy: 0.5103549983776097
Energy: 0.5154968711056066
Energy: 0.5160986224098625
Energy: 0.53225482419398
Energy: 0.5162421025461645
Energy: 0.528725329698098
Energy: 0.5286441462711111
Energy: 0.5166531843335781
Energy: 0.5149541690843559
Energy: 0.48687635888948394
Energy: 0.5584892106548363
Energy: 0.5107549722743432
Energy: 0.5407572891465993
Energy: 0.5629274394135129
Energy: 0.4735244531476133
Energy: 0.5604776493959129
Energy: 0.5533077547458221
Energy: 0.45504798336803237
Energy: 0.45512064830261273
Energy: 0.4752887596084742
Energy: 0.45603143406167335
Energy: 0.45537972970731555
Energy: 0.5232599491922965
Energy: 0.5293095589512778
Energy: 0.5295436552284092
Energy: 0.5164005872215708
Energy: 0.5336819287452711
Energy: 0.516119248472282
Energy: 0.4145672474575211
Energy: 0.5069245005869344
Energy: 0.5065555965051267
Energy: 0.4145463438625485
Energy: 0.5069257205057367
Energy: 0.4121589163889007
Energy: 0.41565981873692365
Energy: 0.49958533879653805
Energy: 0.5177467153555286
Energy: 0.4156673549702403
Energy: 0.46701568514861796
Energy: 0.4161391977327819
Energy: 0.5121050051830756
Energy: 0.3887899021231743
Energy: 0.49462770896157576
Energy: 0.47466560539087077
Energy: 0.38866560806219913
Energy: 0.4955096073899444
Energy: 0.49391158309272926
Energy: 0.39518221528553454
Energy: 0.39524366159056595
Energy: 0.49401357081602976
Energy: 0.3952844527362339
Energy: 0.3953038489732972
Energy: 0.5155588027971996
Energy: 0.5055004595920407
Energy: 0.5058962711733821
Energy: 0.5074550104554748
Energy: 0.5059052930043367
Energy: 0.5038156821769875
Energy: 0.38489628307049406
Energy: 0.490473594519143
Energy: 0.4517487726238473
Energy: 0.3806231718708113
Energy: 0.48975954091588375
Energy: 0.37773358131238477
Energy: 0.38930017489510516
Energy: 0.49231982372409416
Energy: 0.4923749504218863
Energy: 0.38315074355037704
Energy: 0.49226490144821466
Energy: 0.3832746676151242
Energy: 0.5202076879538429
Energy: 0.506034866077255
Energy: 0.5095918381765994
Energy: 0.4607432381356181
Energy: 0.3825973966394369
Energy: 0.4947412688033905
Energy: 0.4884059834859941
Energy: 0.3817914089916786
Energy: 0.3817738208267616
Energy: 0.48894827243525013
Energy: 0.38161914010437253
Energy: 0.3818235817912642
Energy: 0.5090847869869366
Energy: 0.5053049435746539
Energy: 0.5055074053964984
Energy: 0.5055492141290199
Energy: 0.5097240738071361
Energy: 0.5035829267590063
Energy: 0.3932185104452873
Energy: 0.5033261075028583
Energy: 0.45147766543896206
Energy: 0.3930097421710356
Energy: 0.5074550788634418
Energy: 0.3927694860898107
Energy: 0.38894582962220736
Energy: 0.49341838525924375
Energy: 0.5089391070456668
Energy: 0.389145671810075
Energy: 0.4934465453044913
Energy: 0.5085855391040965
Energy: 0.5122243553794689
Energy: 0.41558387633478233
Energy: 0.41631600616960357
Energy: 0.5062754172271423
Energy: 0.4155865313511613
Energy: 0.5059213209122532
Energy: 0.5059225394895207
Energy: 0.41640040057028743
Energy: 0.4167523079595258
Energy: 0.5065233781005252
Energy: 0.4162170730362343
Energy: 0.41694968949172423
Energy: 0.5334372631204686
Energy: 0.5253343463159205
Energy: 0.5249643920703819
Energy: 0.5336741631760114
Energy: 0.5109793026814383
Energy: 0.5296528462569813
Energy: 0.45576054933836707
Energy: 0.5224122754548683
Energy: 0.47821753124779437
Energy: 0.4561214020670329
Energy: 0.5254678470284275
Energy: 0.4882670094338948
Energy: 0.4262031852076225
Energy: 0.5334863423926748
Energy: 0.5554600374732509
Energy: 0.42686748367896915
Energy: 0.5278284040192264
Energy: 0.5313983271104594
Energy: 0.5337566111958031
Energy: 0.5149817738751693
Energy: 0.5113029018485264
Energy: 0.4990352789595283
Energy: 0.5149452250790844
Energy: 0.5255488419298568
Energy: 0.516357361989123
Energy: 0.511441622105004
Energy: 0.511047786213464
Energy: 0.5164964630577795
Energy: 0.5431818230513971
Energy: 0.5319530197412822
Energy: 0.542480897381726
Energy: 0.539328791984361
Energy: 0.5388953111638657
Energy: 0.6297966064301614
Energy: 0.524578527765938
Energy: 0.5479940902367174
Energy: 0.5841962826672567
Energy: 0.4894645302368146
Energy: 0.5790415107343094
Energy: 0.5463164620882375
Energy: 0.49695505874850854
Energy: 0.5598464415996863
Energy: 0.47931162878945316
Energy: 0.515327408666642
Energy: 0.5165635600266887
Energy: 0.47929030720671023
Energy: 0.5156944414853564
Energy: 0.539974226324475

minimum gb energy = 0.37773358131238477 eV
minimum distance =  2.60183479644224 Angstroms
sigma value = 67


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

Energy: 0.781828960026993
Energy: 0.7435739698050831
Energy: 0.6528374439184403
Energy: 0.6190329550621229
Energy: 0.7164561881770742
Energy: 0.6732927750212561
Energy: 0.6220269023758596
Energy: 0.5970828963243875
Energy: 0.5972241727535779
Energy: 0.6211297772871532
Energy: 0.621635709802928
Energy: 0.59677123271339
Energy: 0.6608673529026481
Energy: 0.6299664196159138
Energy: 0.6589785293049748
Energy: 0.6137237586751573
Energy: 0.5579188437252695
Energy: 0.6588905798067554
Energy: 0.5552650455494941
Energy: 0.6351852181355369
Energy: 0.6590770807079781
Energy: 0.5564151065982554
Energy: 0.4899425587259389
Energy: 0.6590827073078306
Energy: 0.542172155263419
Energy: 0.6686584526734571
Energy: 0.674828072032626
Energy: 0.5423651638441468
Energy: 0.5956139961356492
Energy: 0.6326127056752964
Energy: 0.6866633143838666
Energy: 0.6594520980225795
Energy: 0.6183445644907495
Energy: 0.541650994529707
Energy: 0.6807063656449279
Energy: 0.6268793018310523
Energy: 0.593659968017642
Energy: 0.5692364394901247
Energy: 0.5656829145300795
Energy: 0.5679530380040451
Energy: 0.6420403013374711
Energy: 0.5386899614060823
Energy: 0.5539196169336422
Energy: 0.599682975182165
Energy: 0.5382444093420123
Energy: 0.553943267283016
Energy: 0.5605174826934435
Energy: 0.6285199519723883
Energy: 0.6255127112029032
Energy: 0.4822845100968714
Energy: 0.6217818909722843
Energy: 0.6217249515644652
Energy: 0.4854911632274197
Energy: 0.6228573493719134
Energy: 0.5793799707303334
Energy: 0.48203712140802735
Energy: 0.4820805743445071
Energy: 0.5179238180119282
Energy: 0.4817581243262648
Energy: 0.48244049024557784
Energy: 0.6102435881197199
Energy: 0.5854093585484451
Energy: 0.6033116014053567
Energy: 0.6003806858715542
Energy: 0.5847231300888922
Energy: 0.6027324628695105
Energy: 0.45513522308498366
Energy: 0.5769113306201161
Energy: 0.5819369242046016
Energy: 0.4554528789449173
Energy: 0.5773475408173201
Energy: 0.4549594734069974
Energy: 0.45572031686022907
Energy: 0.584992106125134
Energy: 0.5789166406119486
Energy: 0.4563649572620837
Energy: 0.5787314034564164
Energy: 0.4558180017992003
Energy: 0.5796816379873463
Energy: 0.5723938768897687
Energy: 0.5882759520625624
Energy: 0.5831002212429435
Energy: 0.5718597378090816
Energy: 0.5879839948744228
Energy: 0.5584838508269259
Energy: 0.44945543489507855
Energy: 0.44987818905889004
Energy: 0.5579320941668843
Energy: 0.44890560822986175
Energy: 0.45014107400101555
Energy: 0.5957993957118002
Energy: 0.45492300939619174
Energy: 0.5924249322962445
Energy: 0.5965045924612441
Energy: 0.4542914373185728
Energy: 0.5919134179328447
Energy: 0.4833084948640274
Energy: 0.5910543648711403
Energy: 0.5272926627164388
Energy: 0.48340426694770083
Energy: 0.5500728387718163
Energy: 0.5388653822247688
Energy: 0.482248816271787
Energy: 0.597581503632972
Energy: 0.5987738138386041
Energy: 0.482465442125313
Energy: 0.5983003862083909
Energy: 0.4845990267954039
Energy: 0.6608423260509538
Energy: 0.619203002994554
Energy: 0.6054204337517354
Energy: 0.5097592466709693
Energy: 0.6192820570823331
Energy: 0.6120551789782748
Energy: 0.5579230653007548
Energy: 0.5708419050468279
Energy: 0.5756756777760634
Energy: 0.5577621334779642
Energy: 0.5406051911635263
Energy: 0.5760621593357832
Energy: 0.5757803755378401
Energy: 0.6388883105558442
Energy: 0.6387146843210268
Energy: 0.5770534464651055
Energy: 0.5333212259673293
Energy: 0.6389236129688031
Energy: 0.674862446559419
Energy: 0.6082946115879247
Energy: 0.6391606482424607
Energy: 0.6133737993398457
Energy: 0.5324325147279653
Energy: 0.6388960484504907
Energy: 0.6221620668497433
Energy: 0.5414556924716899
Energy: 0.5411191461609353
Energy: 0.6013192630709212
Energy: 0.5415812412697747
Energy: 0.5408183770343775

minimum gb energy = 0.44890560822986175 eV
minimum distance =  2.60032784419448 Angstroms
sigma value = 33


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

Energy: 0.8923026090440721
Energy: 0.7741315192750344
Energy: 0.8043772142144051
Energy: 0.6912137952085194
Energy: 0.7309321513335585
Energy: 0.6968984701199291
Energy: 0.5952391799243806
Energy: 0.7022611028980356
Energy: 0.7022937389625111
Energy: 0.6533610541072452
Energy: 0.684387430234273
Energy: 0.6906016951801826
Energy: 0.6680465388134613
Energy: 0.6547807654689732
Energy: 0.6886095869148295
Energy: 0.6532299709775066
Energy: 0.7107778026031826
Energy: 0.6641691560581922
Energy: 0.6539312459181431
Energy: 0.69643215303055
Energy: 0.7080476296410307
Energy: 0.6538957503195933
Energy: 0.5545766275642474
Energy: 0.6891773961966576
Energy: 0.5569643609897502
Energy: 0.7019285045166838
Energy: 0.7097326064618907
Energy: 0.5574741060249991
Energy: 0.6477468420533439
Energy: 0.7103389862185284
Energy: 0.6894169198087285
Energy: 0.706038960709681
Energy: 0.6705189528579292
Energy: 0.5318409159728948
Energy: 0.70683750213461
Energy: 0.6479158388256392
Energy: 0.556471017770352
Energy: 0.670826337883182
Energy: 0.582434234623425
Energy: 0.556138505389926
Energy: 0.6856742381871378
Energy: 0.5568601404320521
Energy: 0.5596668858727167
Energy: 0.4975764890843245
Energy: 0.6831319951432641
Energy: 0.5600116530913124
Energy: 0.5335448435819016
Energy: 0.5595326110968611
Energy: 0.6206617269722344
Energy: 0.4993516252301172
Energy: 0.6500376592519848
Energy: 0.6474720365263388
Energy: 0.4996945896195255
Energy: 0.6517384135643316
Energy: 0.6146267574126016
Energy: 0.49637406527470196
Energy: 0.4952543845069704
Energy: 0.6152684093213927
Energy: 0.4968154622818174
Energy: 0.49461893924941386
Energy: 0.6321934313639018
Energy: 0.5567832463697714
Energy: 0.5830813337320752
Energy: 0.6323107143036153
Energy: 0.5561581290444579
Energy: 0.6380768834379045
Energy: 0.4962841885768729
Energy: 0.5551147285193032
Energy: 0.569988887017801
Energy: 0.49655931887500926
Energy: 0.6181643621979193
Energy: 0.4965267496109662
Energy: 0.4990178830649294
Energy: 0.630294934567493
Energy: 0.4993006494452452
Energy: 0.49896985892211565
Energy: 0.6304028589067615
Energy: 0.4994753784793995
Energy: 0.646308878051318
Energy: 0.637345045052276
Energy: 0.6470190971125834
Energy: 0.6471529288167412
Energy: 0.6524885299379336
Energy: 0.6495244529740822
Energy: 0.5539839964646217
Energy: 0.5668599979843061
Energy: 0.5929932713134943
Energy: 0.5552572612078038
Energy: 0.566445791899494
Energy: 0.5939275920142647
Energy: 0.6784419715412197
Energy: 0.5143260992382679
Energy: 0.6637307699095079
Energy: 0.6788069277578237
Energy: 0.5146455441597523
Energy: 0.7047372816357278
Energy: 0.645919687075334
Energy: 0.5808490298239077
Energy: 0.7135444013399295
Energy: 0.6433718715715121
Energy: 0.6428805065830838
Energy: 0.6393869011325217
Energy: 0.6929642292938458
Energy: 0.6543772698268028
Energy: 0.6526106016632748
Energy: 0.6347020817089197
Energy: 0.6852749569453885
Energy: 0.666203044515602
Energy: 0.7305009922990862
Energy: 0.6812244971954707
Energy: 0.6676754840896548
Energy: 0.5790965260954613
Energy: 0.6838210108849444
Energy: 0.6373095716462215
Energy: 0.5961927209852795
Energy: 0.7018832037212298
Energy: 0.701927869054346
Energy: 0.5979041663100013
Energy: 0.6659311812362366
Energy: 0.7025743811439715
Energy: 0.6675491759835122
Energy: 0.6944473363964211
Energy: 0.6664312595007953
Energy: 0.6537203243791055
Energy: 0.5646775419906904
Energy: 0.6641090572690573
Energy: 0.6813219409707254
Energy: 0.7346812625828886
Energy: 0.701404546575072
Energy: 0.6437554191798219
Energy: 0.6599273838464015
Energy: 0.6882169402927467
Energy: 0.5577256838670518
Energy: 0.7025233485956296
Energy: 0.6999224094154917
Energy: 0.5573843388560082
Energy: 0.6524969487673286
Energy: 0.7089463164407187
Energy: 0.8080331304178425
Energy: 0.7066275015641318
Energy: 0.6883992033978111
Energy: 0.631568743518573
Energy: 0.7088282611481085
Energy: 0.6565677166594382
Energy: 0.5564266739688634
Energy: 0.6572282886774454
Energy: 0.6576041231133845
Energy: 0.5562741706757978
Energy: 0.6866277778544883
Energy: 0.6771947584925481
Energy: 0.5586522992820445
Energy: 0.4961562150823811
Energy: 0.6811726945127292
Energy: 0.5593478506823598
Energy: 0.5888210660186586
Energy: 0.5597337143938338
Energy: 0.6474308321524647
Energy: 0.6930337524959048
Energy: 0.6613056289448673
Energy: 0.6452695152326782
Energy: 0.4994853636525547
Energy: 0.5927134384815367
Energy: 0.6137635944157568
Energy: 0.4981262441508283
Energy: 0.49679108785119
Energy: 0.6148576786028014
Energy: 0.4994097773709815
Energy: 0.49726356014879125
Energy: 0.6325067730295307
Energy: 0.5558807887138986
Energy: 0.5559558515738425
Energy: 0.6319445340719095
Energy: 0.5558866305287329
Energy: 0.5028113606472089
Energy: 0.4959373665728014
Energy: 0.5551003977574318
Energy: 0.4967420419015179
Energy: 0.4961329467060213
Energy: 0.6183351038606285
Energy: 0.4965660032932591
Energy: 0.4991634351311762
Energy: 0.6308265270682029
Energy: 0.49939105216462404
Energy: 0.49926954810275126
Energy: 0.626157801050541
Energy: 0.49942306656407637
Energy: 0.6466938200386653
Energy: 0.6370841269926023
Energy: 0.6498539074157664
Energy: 0.6280897977538299
Energy: 0.6377315809320371
Energy: 0.6483243866173186
Energy: 0.5545102887125685
Energy: 0.5645504135647776
Energy: 0.5935952464240071
Energy: 0.5546856684853267
Energy: 0.5602217728496859
Energy: 0.5942390401539295
Energy: 0.6669569600875395
Energy: 0.5145019308233484
Energy: 0.6798849288229403
Energy: 0.6701900590834101
Energy: 0.5144252181761114
Energy: 0.7052395243088504
Energy: 0.660842403225079
Energy: 0.5069221732590996
Energy: 0.6636647513578676
Energy: 0.6466181685210493
Energy: 0.6385098023892907
Energy: 0.6395310482645675
Energy: 0.7110328148979723
Energy: 0.6701298080810912
Energy: 0.5570717202103352
Energy: 0.6350104949567876
Energy: 0.6709519337355326
Energy: 0.6666955615233863
Energy: 0.735671504057712
Energy: 0.6427995383017496
Energy: 0.6670558710505446
Energy: 0.6050432747362096
Energy: 0.642732510111392
Energy: 0.6364163905657476

minimum gb energy = 0.49461893924941386 eV
minimum distance =  2.55843050533775 Angstroms
sigma value = 41


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

Energy: 0.8030630783544459
Energy: 0.825648750499262
Energy: 0.8222077171738483
Energy: 0.8058249377172036
Energy: 0.8291799044164603
Energy: 0.8228011211147881
Energy: 0.6129954725282829
Energy: 0.6746983532573256
Energy: 0.6690524268747894
Energy: 0.6613331231726011
Energy: 0.692052111963684
Energy: 0.673146494245872
Energy: 0.7448000754490938
Energy: 0.7312564387481134
Energy: 0.7274855377987011
Energy: 0.7114341285923101
Energy: 0.6901999822472369
Energy: 0.6968200602714276
Energy: 0.6906923613701892
Energy: 0.7282205978122953
Energy: 0.7717309871989914
Energy: 0.7092105453032189
Energy: 0.5741666929135504
Energy: 0.6703044034340996
Energy: 0.5761842275400226
Energy: 0.7291696819108239
Energy: 0.7311934119711948
Energy: 0.5761417610425958
Energy: 0.7221146405144657
Energy: 0.724836328053382
Energy: 0.7373656330703495
Energy: 0.7528410777975588
Energy: 0.7366947091505412
Energy: 0.7482329776681939
Energy: 0.7343145148213082
Energy: 0.7787865149993685
Energy: 0.5757583746891963
Energy: 0.7069447752168079
Energy: 0.6722399606490403
Energy: 0.5760504460847067
Energy: 0.7065524423521602
Energy: 0.5761694755122697
Energy: 0.5700624602217239
Energy: 0.6137776342896784
Energy: 0.5708050240288864
Energy: 0.5704313076639188
Energy: 0.614004815196997
Energy: 0.5705419862218564
Energy: 0.6719408932583909
Energy: 0.631229482283207
Energy: 0.7131886093659925
Energy: 0.6739692010085152
Energy: 0.6216646528401155
Energy: 0.673840407435044
Energy: 0.6128319905045323
Energy: 0.5759750597199343
Energy: 0.5757118010600014
Energy: 0.6125953970659096
Energy: 0.576339269136247
Energy: 0.6056564132798606
Energy: 0.7024317612626759
Energy: 0.5757986860740101
Energy: 0.5764290527454843
Energy: 0.7025944199825462
Energy: 0.536021950505612
Energy: 0.7115979049613241
Energy: 0.7395122345823462
Energy: 0.5342109752308333
Energy: 0.6029017105439639
Energy: 0.7396770769554022
Energy: 0.534601531861922
Energy: 0.6010808120739597
Energy: 0.6868847013315743
Energy: 0.6746487959370676
Energy: 0.6877107786762312
Energy: 0.6859079211408008
Energy: 0.6747740411521568
Energy: 0.688728596950512
Energy: 0.791852013968877
Energy: 0.6872653117193721
Energy: 0.7994094007556684
Energy: 0.8214402267185921
Energy: 0.6875340345327413
Energy: 0.7990710891705035

minimum gb energy = 0.5342109752308333 eV
minimum distance =  2.55591025871175 Angstroms
sigma value = 11


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

Energy: 0.9813522521327043
Energy: 0.870800970004121
Energy: 0.8635692408181416
Energy: 0.8247506563766466
Energy: 0.9194132696464816
Energy: 0.8115549944281243
Energy: 0.7685292468668015
Energy: 0.635371909848436
Energy: 0.6413542843238411
Energy: 0.7873824721190202
Energy: 0.6348843447150954
Energy: 0.6247381197408249
Energy: 0.8850896550437193
Energy: 0.7804059042030278
Energy: 0.7969579542915406
Energy: 0.8531690914841027
Energy: 0.7946484349362181
Energy: 0.7806344206205984
Energy: 0.7415369776394484
Energy: 0.7942614067976108
Energy: 0.7842332836839796
Energy: 0.757975789702392
Energy: 0.6030602428002216
Energy: 0.7857291036127878
Energy: 0.7182224833044449
Energy: 0.6348693528908705
Energy: 0.6348687261939404
Energy: 0.7197640246981494
Energy: 0.6460389820582397
Energy: 0.6357527310729305
Energy: 0.7875637025276554
Energy: 0.6471555711492706
Energy: 0.6320265904430195
Energy: 0.760274185664947
Energy: 0.6474149563728409
Energy: 0.6324504270206744
Energy: 0.6630658609429985
Energy: 0.625824016162014
Energy: 0.6245141094438342
Energy: 0.6628433804469447
Energy: 0.7462578858893709
Energy: 0.6324062552772587
Energy: 0.647043142366759
Energy: 0.755872714823205
Energy: 0.7038107694696335
Energy: 0.6470427652282076
Energy: 0.7174979789876955
Energy: 0.6356922509634665
Energy: 0.5966777505053585
Energy: 0.7692221399572716
Energy: 0.7835113251850262
Energy: 0.6476338031353879
Energy: 0.7621911057302307
Energy: 0.8258622618509431
Energy: 0.6150137338130494
Energy: 0.7750443196986729
Energy: 0.7835782957907911
Energy: 0.6147363953388125
Energy: 0.8095929638204579
Energy: 0.8255693311047482
Energy: 0.7112229813408233
Energy: 0.6537509347469961
Energy: 0.6319357032467453
Energy: 0.7112818040949328
Energy: 0.6778151003759412
Energy: 0.6350616727846838
Energy: 0.9530281735586386
Energy: 0.8291069058690845
Energy: 0.8340670816043075
Energy: 0.9524667185378628
Energy: 0.8144869693503879
Energy: 0.8342512156568325
Energy: 0.6249220629283362
Energy: 0.748230898721878
Energy: 0.6872806283153307
Energy: 0.6240007805064922
Energy: 0.7484718731876201
Energy: 0.6237869885966981
Energy: 0.8541499311773467
Energy: 0.7700214475709268
Energy: 0.7727244363864121
Energy: 0.7111723863940278
Energy: 0.8215273240933924
Energy: 0.7619354949954553
Energy: 0.6215188125898453
Energy: 0.7914962284906224
Energy: 0.8013583566451005
Energy: 0.6229971940832129
Energy: 0.7856183267232998
Energy: 0.7819629773591508
Energy: 0.602078615290663
Energy: 0.6380626275612902
Energy: 0.6022960716783441
Energy: 0.6022018688343331
Energy: 0.7343952523919818
Energy: 0.6023174368266158
Energy: 0.6315599600401144
Energy: 0.7311107990881324
Energy: 0.7383026324806551
Energy: 0.6314004445947196
Energy: 0.7576326066781885
Energy: 0.5998402819851799
Energy: 0.7841501728066612
Energy: 0.7142907380800184
Energy: 0.7161721464317645
Energy: 0.7372541777309701
Energy: 0.73624393863903
Energy: 0.65000851244788
Energy: 0.6601821486033341
Energy: 0.6839757514538121
Energy: 0.7036807614419386
Energy: 0.6610233207818609
Energy: 0.6984230540925334
Energy: 0.7050735240137399
Energy: 0.8125544683011936
Energy: 0.8260292207456077
Energy: 0.8329302318803886
Energy: 0.7863272285994843
Energy: 0.8339204823162327
Energy: 0.727748411744169
Energy: 0.7284956958526702
Energy: 0.6825905199290181
Energy: 0.738105717057843
Energy: 0.7285734408542843
Energy: 0.6086847564758754
Energy: 0.7209840638449504
Energy: 0.6442583085195024
Energy: 0.6945993908410604
Energy: 0.6947310397264321
Energy: 0.6232556780612489
Energy: 0.7179191896738384
Energy: 0.702323592832335
Energy: 0.9513186897048473
Energy: 0.6754613174346014
Energy: 0.8210743356072754
Energy: 0.7812873502386004
Energy: 0.6908098741598013
Energy: 0.7675523002812336
Energy: 0.7302746810217601
Energy: 0.6603272966666152
Energy: 0.7132817415553444
Energy: 0.7297538381337753
Energy: 0.6635879701246158
Energy: 0.715213786624715
Energy: 0.7263230428236044
Energy: 0.7027202217737902
Energy: 0.6888107767155901
Energy: 0.7263177530840332
Energy: 0.7600820276869705
Energy: 0.6890162815491206
Energy: 0.7658265147290566
Energy: 0.6143504925920635
Energy: 0.6343386375493674
Energy: 0.7480543343258599
Energy: 0.6144727218086984
Energy: 0.7515512873705243
Energy: 0.7324650723428835
Energy: 0.6048506684205442
Energy: 0.6021628648339009
Energy: 0.7305598650404768
Energy: 0.6047446485746787
Energy: 0.6008593144855032
Energy: 0.7356771271130543
Energy: 0.6052826933699212
Energy: 0.6346857091194731
Energy: 0.7446315017113262
Energy: 0.605112814564708
Energy: 0.7834651338395687
Energy: 0.8172490880051417
Energy: 0.7053157869005602
Energy: 0.7259244082700778
Energy: 0.816929213877334
Energy: 0.7804690821997335
Energy: 0.7261436790449403
Energy: 0.8243831072266702
Energy: 0.6243779968738422
Energy: 0.624635632150273
Energy: 0.81919763270378
Energy: 0.6239547102917805
Energy: 0.679900213669074
Energy: 0.992184362423704
Energy: 0.7611515452894903
Energy: 0.8127183745181702
Energy: 0.7668188968197178
Energy: 0.8283439636616949
Energy: 0.7251495474183997

minimum gb energy = 0.5966777505053585 eV
minimum distance =  2.55667108517082 Angstroms
sigma value = 57


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

Energy: 0.858555076456968
Energy: 0.7542374409891144
Energy: 0.809081629662729
Energy: 0.8693002659651883
Energy: 0.8972963266424571
Energy: 0.8085667194497401
Energy: 0.5626117185129131
Energy: 0.6763613510583606
Energy: 0.6734288003689216
Energy: 0.702098036221006
Energy: 0.708826246377722
Energy: 0.7268193214146565
Energy: 0.6799144683627403
Energy: 0.6575574225440466
Energy: 0.6574211755778794
Energy: 0.6796853933153898
Energy: 0.732938666880002
Energy: 0.6725315180495419
Energy: 0.6746400981605176
Energy: 0.7228916206370685
Energy: 0.6732820513628317
Energy: 0.6750081073510517
Energy: 0.7684186584734066
Energy: 0.672949382510819
Energy: 0.6300539832697939
Energy: 0.7409020572761759
Energy: 0.7400559264582572
Energy: 0.6311904771081378
Energy: 0.7080283612767931
Energy: 0.7400938991047183
Energy: 0.7934186888061429
Energy: 0.7431822822746346
Energy: 0.6780660462538965
Energy: 0.7538126834031976
Energy: 0.7359801164225478
Energy: 0.746345582595958
Energy: 0.6693642657773523
Energy: 0.6494832649210394
Energy: 0.6491107512135309
Energy: 0.6690904670563023
Energy: 0.6488184266190767
Energy: 0.6886471591544053
Energy: 0.7007342000788697
Energy: 0.6946113970017945
Energy: 0.7118813182791056
Energy: 0.7000857069342651
Energy: 0.6959247234271958
Energy: 0.710584575457969
Energy: 0.5628245234792699
Energy: 0.6643662765019644
Energy: 0.7535708051645852
Energy: 0.6807483633614877
Energy: 0.6601450829376869
Energy: 0.7580769811022388
Energy: 0.5628585314694968
Energy: 0.6641051006597434
Energy: 0.7604755779922806
Energy: 0.6799930818211919
Energy: 0.6804402931391985
Energy: 0.7583007078340215
Energy: 0.700198199138829
Energy: 0.695059845532381
Energy: 0.7110583836383345
Energy: 0.7000319664394538
Energy: 0.6945791643046795
Energy: 0.659537166942637
Energy: 0.8911271276497598
Energy: 0.7321241566453336
Energy: 0.7566121757865192
Energy: 0.6595563534357148
Energy: 0.7502642811540368
Energy: 0.6728638625348983
Energy: 0.6326102974141194
Energy: 0.6752378089856143
Energy: 0.728189042174227
Energy: 0.6921214100742996
Energy: 0.6751397282967003
Energy: 0.6318948708198607
Energy: 0.7933358205983293
Energy: 0.7616051394586825
Energy: 0.7414213082415746
Energy: 0.7508165686240857
Energy: 0.6801860322179095
Energy: 0.7415931350124679
Energy: 0.6664631832379537
Energy: 0.662827186239908
Energy: 0.7552957578875523
Energy: 0.6684484596459687
Energy: 0.7158032931082253
Energy: 0.7549520694820494
Energy: 0.6803596491361628
Energy: 0.5628101357575472
Energy: 0.562764349128499
Energy: 0.68050343213074
Energy: 0.6547844492485204
Energy: 0.7409499683209758
Energy: 0.5628489904649885
Energy: 0.6324960673246605
Energy: 0.6310850451906309
Energy: 0.5624691248365745
Energy: 0.6959060573420317
Energy: 0.6636754419411415

minimum gb energy = 0.5624691248365745 eV
minimum distance =  2.60840024300022 Angstroms
sigma value = 9


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

Energy: 0.9665856450854716
Energy: 0.9846022946521295
Energy: 0.9131873324254105
Energy: 0.8663778962386366
Energy: 0.8728641551169368
Energy: 0.8635074783829906
Energy: 0.7539671766781396
Energy: 0.6807176577196049
Energy: 0.6823402998220924
Energy: 0.800499409526685
Energy: 0.6819705417268093
Energy: 0.7060530169439755
Energy: 0.7408065985150298
Energy: 0.7254849398815999
Energy: 0.7941201459305215
Energy: 0.7410384649280869
Energy: 0.7206487393503506
Energy: 0.7807327036141294
Energy: 0.6947708678731951
Energy: 0.7015251673339092
Energy: 0.7474584788562161
Energy: 0.6621231555270302
Energy: 0.6946477230578169
Energy: 0.7425708765588002
Energy: 0.6827215077338479
Energy: 0.6846381500281967
Energy: 0.701001698734254
Energy: 0.6700178055865125
Energy: 0.6772451278012546
Energy: 0.7007569857009653
Energy: 0.7188773445275892
Energy: 0.7090890329817766
Energy: 0.6879943373862245
Energy: 0.7042330035392836
Energy: 0.6810611533718104
Energy: 0.700946557420789
Energy: 0.8145057600382544
Energy: 0.7457459296143779
Energy: 0.7263857685095984
Energy: 0.8153202909509658
Energy: 0.7669105391707846
Energy: 0.7652470484254086
Energy: 0.7223015424597958
Energy: 0.6830882596167965
Energy: 0.7095557243737455
Energy: 0.7226862747769849
Energy: 0.6986913950818662
Energy: 0.6876206831723949
Energy: 0.7836906951578733
Energy: 0.736296871120786
Energy: 0.7325936119304984
Energy: 0.7189337054699764
Energy: 0.70395106831279
Energy: 0.7917008623354905
Energy: 0.7842845169778555
Energy: 0.7303603513796486
Energy: 0.7043509792868831
Energy: 0.7178575636554806
Energy: 0.7303665601659176
Energy: 0.7088902405308233
Energy: 0.7202900429607337
Energy: 0.6888698685858807
Energy: 0.7026634248937198
Energy: 0.6863242340140683
Energy: 0.6641727060410909
Energy: 0.6993312092114011
Energy: 0.6822044641021233
Energy: 0.6860688423611688
Energy: 0.6980013383591115
Energy: 0.6820004417589755
Energy: 0.6847760628412706
Energy: 0.6778488405587357
Energy: 0.7974628589020673
Energy: 0.6913491174477706
Energy: 0.7506323652818739
Energy: 0.7516181184546072
Energy: 0.6924740251807618
Energy: 0.7390307431719413
Energy: 0.7929340046200861
Energy: 0.7636564970205908
Energy: 0.7302406507423472
Energy: 0.7411818304858524
Energy: 0.7892788124892174
Energy: 0.7492603945922924
Energy: 0.7473696056141184
Energy: 0.6809376587222771
Energy: 0.6909548284516465
Energy: 0.6828455946121562
Energy: 0.6918403055455761
Energy: 0.6808762353733996
Energy: 0.8141840698623373
Energy: 0.8043772848209496
Energy: 0.739489821743739
Energy: 0.7446771405476678
Energy: 0.828305813156903
Energy: 0.7344616023042178
Energy: 0.802276710607399
Energy: 0.724794298886987
Energy: 0.7262644629419123
Energy: 0.6745730258367757
Energy: 0.7599742500832449
Energy: 0.7291367985684336
Energy: 0.7290223822127818
Energy: 0.704147529737551
Energy: 0.7310160779495227
Energy: 0.7025459054853558
Energy: 0.7036851677724687
Energy: 0.726029540400218
Energy: 0.7221523186309545
Energy: 0.6943986865800946
Energy: 0.6681846268303916
Energy: 0.7219096988054566
Energy: 0.6695068803736675
Energy: 0.6973592763375658
Energy: 0.7237036981181949
Energy: 0.7131756959165637
Energy: 0.7078404372442958
Energy: 0.7210416850418739
Energy: 0.7246316814987223
Energy: 0.7076432465953524
Energy: 0.7410023824404257
Energy: 0.6798726908241043
Energy: 0.6833450754947709
Energy: 0.6957307813964959
Energy: 0.6806328719875626
Energy: 0.688582932351946

minimum gb energy = 0.6621231555270302 eV
minimum distance =  2.51213951388361 Angstroms
sigma value = 27


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

Energy: 0.8458977457087589
Energy: 0.794909261657813
Energy: 0.806462449057922
Energy: 0.8335023173602742
Energy: 0.9511204592038563
Energy: 0.8317812069287055
Energy: 0.6720833019001902
Energy: 0.8699503840817168
Energy: 0.8704702766635222
Energy: 0.7696036020186451
Energy: 0.869926405610128
Energy: 0.8702418324803682
Energy: 0.7422444336174118
Energy: 0.7016834735108344
Energy: 0.6820935585482993
Energy: 0.7416837078632563
Energy: 0.6082882105475228
Energy: 0.7272232605535279
Energy: 0.7278888442989104
Energy: 0.7286665106991446
Energy: 0.6996652596020178
Energy: 0.7284246890019446
Energy: 0.7547056557707218
Energy: 0.6417106043480251
Energy: 0.6096071030453755
Energy: 0.7129348319610983
Energy: 0.7077830546903885
Energy: 0.6080654363924881
Energy: 0.7222225619508901
Energy: 0.7150101737689929
Energy: 0.6367288114982854
Energy: 0.6585002181037167
Energy: 0.621684431700029
Energy: 0.6369448261494267
Energy: 0.6829192940542296
Energy: 0.62180090400529
Energy: 0.7506330084598153
Energy: 0.7455234384587011
Energy: 0.7428600226303907
Energy: 0.7503774486130096
Energy: 0.7453147783042817
Energy: 0.7389057264155529
Energy: 0.7580928514602413
Energy: 0.720586195444437
Energy: 0.7387852328446627
Energy: 0.7577649869166434
Energy: 0.6812402151627418
Energy: 0.7757384430554469
Energy: 0.6885942488021783
Energy: 0.6998911750592106
Energy: 0.6996585890769883
Energy: 0.6271664839475053
Energy: 0.7036193423148223
Energy: 0.6888681790842737
Energy: 0.6872967920906426
Energy: 0.7376745415758915
Energy: 0.7378381150621239
Energy: 0.7070142832470548
Energy: 0.7335907087805157
Energy: 0.6644111139159282
Energy: 0.7370952898111374
Energy: 0.6516221184127439
Energy: 0.6496866252781573
Energy: 0.7373986357776157
Energy: 0.6137765097015163
Energy: 0.668189365082579
Energy: 0.697109334574541
Energy: 0.6424823807835832
Energy: 0.6334334450576883
Energy: 0.6963113113783693
Energy: 0.643639075722398
Energy: 0.6582073024991627
Energy: 0.7567386697260803
Energy: 0.7487316537149519
Energy: 0.7496158663881263
Energy: 0.7443613313645949
Energy: 0.7502641769047438
Energy: 0.7478434917399277
Energy: 0.7983726923402589
Energy: 0.7452717813799975
Energy: 0.7425503998675592
Energy: 0.7551434331156925
Energy: 0.7547380687048371
Energy: 0.7566002266049753
Energy: 0.7094957538171707
Energy: 0.7026786025679713
Energy: 0.6576134321583184
Energy: 0.7097226349410201
Energy: 0.7211676561599913
Energy: 0.7194625962627104
Energy: 0.736172770823328
Energy: 0.6569100760263589
Energy: 0.6874399772607449
Energy: 0.7359930017637258
Energy: 0.6538468222455722
Energy: 0.6875262526203155
Energy: 0.609851859682091
Energy: 0.7601624060437305
Energy: 0.7579820395221943
Energy: 0.6142426703272197
Energy: 0.7331426133362937
Energy: 0.7428981456209355
Energy: 0.6223222907761791
Energy: 0.6824827206350652
Energy: 0.6622339957718345
Energy: 0.6297581643706993
Energy: 0.6856633609833414
Energy: 0.6229558506091941
Energy: 0.7610902713684701
Energy: 0.740446961292159
Energy: 0.7121993647768616
Energy: 0.7615405007692397
Energy: 0.7433149854791508
Energy: 0.734138317386673
Energy: 0.748659282103932
Energy: 0.7406674957491943
Energy: 0.7438072683086063
Energy: 0.7487095615207129
Energy: 0.7432907194209553
Energy: 0.7436066211684965
Energy: 0.7015830077268601
Energy: 0.6786044860488714
Energy: 0.6788979058648648
Energy: 0.7023830983608532
Energy: 0.6857780207954648
Energy: 0.6886738992372524
Energy: 0.6077011128891638
Energy: 0.7463295580540021
Energy: 0.7465131615982146
Energy: 0.6085493216503207
Energy: 0.7459092001644319
Energy: 0.7555649177203202
Energy: 0.732938481651196
Energy: 0.7479282312916816
Energy: 0.7489202768514088
Energy: 0.7329349745554327
Energy: 0.711891135948235
Energy: 0.7494017287664039
Energy: 0.70431049572021
Energy: 0.6698968749649208
Energy: 0.7055367831010055
Energy: 0.6989696566055084
Energy: 0.7195032944961562
Energy: 0.7045876668763217
Energy: 0.7903505956438386
Energy: 0.8757406114283234
Energy: 0.8718536560609803
Energy: 0.7782142676927474
Energy: 0.8485853602577528
Energy: 0.7062246106816423

minimum gb energy = 0.6077011128891638 eV
minimum distance =  2.57015288753027 Angstroms
sigma value = 19


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

Energy: 0.8746403333218735
Energy: 1.1333623416761545
Energy: 0.9828939933830294
Energy: 0.8594961402047825
Energy: 0.9536725634486239
Energy: 0.9836678034629378
Energy: 0.7309603179767434
Energy: 0.7000483177902965
Energy: 0.7260941001382416
Energy: 0.7801165764916763
Energy: 0.767594275359786
Energy: 0.7249435446171513
Energy: 0.7053758183062037
Energy: 0.6903368488876847
Energy: 0.6900264537374687
Energy: 0.7056301121799534
Energy: 0.6900960796010257
Energy: 0.6907693289851121
Energy: 0.7129969445739337
Energy: 0.7205178119982284
Energy: 0.7192027705923796
Energy: 0.7131271970939288
Energy: 0.7273737935968453
Energy: 0.7196072523087601
Energy: 0.623629654945876
Energy: 0.7126231082269351
Energy: 0.6893272206304963
Energy: 0.6158166372795135
Energy: 0.710513751790972
Energy: 0.6892976026606262
Energy: 0.6591779486851485
Energy: 0.7304215253579697
Energy: 0.7194714273416757
Energy: 0.6896578960985169
Energy: 0.775788482033569
Energy: 0.7349098304456211
Energy: 0.8508875487356874
Energy: 0.7367418484433086
Energy: 0.7366843895066125
Energy: 0.9022637103822133
Energy: 0.720926482785727
Energy: 0.7367836752129983
Energy: 0.7469788218447778
Energy: 0.7138974893033142
Energy: 0.7708485136389581
Energy: 0.7614575187137002
Energy: 0.7453310222704979
Energy: 0.7722456034151634
Energy: 0.6078123879966814
Energy: 0.6186711649817724
Energy: 0.6191488514021667
Energy: 0.6076740840007127
Energy: 0.6910548315716841
Energy: 0.6189391987612735
Energy: 0.6076652923038672
Energy: 0.6974230173059147
Energy: 0.699909732821139
Energy: 0.6078377453554271
Energy: 0.6929301833094648
Energy: 0.7135987682470238
Energy: 0.7077346603310353
Energy: 0.7413095427781974
Energy: 0.7347520521876614
Energy: 0.707724159876332
Energy: 0.7465186863090721
Energy: 0.7409017382315068
Energy: 0.6904241519242111
Energy: 0.6497862174373711
Energy: 0.6953985656230051
Energy: 0.6877459365775853
Energy: 0.6839727258997008
Energy: 0.7135500645102744
Energy: 0.8156077132206375
Energy: 0.720036363134411
Energy: 0.7612277752287392
Energy: 0.6707891837211634
Energy: 0.7880850293989182
Energy: 0.7391202622021533
Energy: 0.6767076565923663
Energy: 0.7142643156935519
Energy: 0.7272531781732213
Energy: 0.68746237933953
Energy: 0.7343790877627311
Energy: 0.7183222470093911
Energy: 0.6748913210577593
Energy: 0.5898892825487794
Energy: 0.5893792104917447
Energy: 0.6753809157270102
Energy: 0.5900096439347188
Energy: 0.589158420045396
Energy: 0.6943401798084946
Energy: 0.5890954193279954
Energy: 0.5891233865551235
Energy: 0.6926692882532417
Energy: 0.6020182352318203
Energy: 0.6810526395794335
Energy: 0.7350967989084043
Energy: 0.812709046806936
Energy: 0.6724574270515576
Energy: 0.7206493623794366
Energy: 0.772833306002193
Energy: 0.6723905485597397
Energy: 0.6913616011202242
Energy: 0.7030806429661809
Energy: 0.7022349431231132
Energy: 0.6920163641125835
Energy: 0.7059704076110658
Energy: 0.7117364848870505
Energy: 0.776643505548871
Energy: 0.6813347812183271
Energy: 0.7296039011591277
Energy: 0.7766307522384589
Energy: 0.6797708559485675
Energy: 0.7063299310270411
Energy: 0.7309600930430507
Energy: 0.7043977020986663
Energy: 0.6814350173785908
Energy: 0.730933982119728
Energy: 0.6800156207181345
Energy: 0.7202797833888662
Energy: 0.6126723511666154
Energy: 0.6910150708930511
Energy: 0.5890440152490044
Energy: 0.610032329990304
Energy: 0.6831811500274847
Energy: 0.5887886834858955
Energy: 0.6163849544472757
Energy: 0.7220802676205846
Energy: 0.589201350034606
Energy: 0.6127944842208553
Energy: 0.6755280890535228
Energy: 0.5894646408943431
Energy: 0.7759135981751937
Energy: 0.7074131551798531
Energy: 0.7087958774785054
Energy: 0.7725013026230259
Energy: 0.7240516897795946
Energy: 0.7161022098420555
Energy: 0.7313063080413842
Energy: 0.7480031181044695
Energy: 0.710067005324138
Energy: 0.730995179191856
Energy: 0.7251710412247816
Energy: 0.6952924257791373
Energy: 0.7036864281649499
Energy: 0.6923767916335392
Energy: 0.6921920535683342
Energy: 0.650683764419267
Energy: 0.6956829097117617
Energy: 0.6289845842849514
Energy: 0.6716288606000268
Energy: 0.7827521400675072
Energy: 0.7991342312066068
Energy: 0.6699574583612798
Energy: 0.7824944568688176
Energy: 0.7141797485560538
Energy: 0.6943111991043818
Energy: 0.619119440030635
Energy: 0.61905139168822
Energy: 0.6944735763123063
Energy: 0.6075994404797519
Energy: 0.6191929330092799
Energy: 0.6799781919337657
Energy: 0.6182211559259772
Energy: 0.6189601145010029
Energy: 0.6759995807106703
Energy: 0.6050698123606231
Energy: 0.6189094934442955
Energy: 0.6887470695965009
Energy: 0.7583085867150126
Energy: 0.7738926574284616
Energy: 0.7212387840374019
Energy: 0.7583721113134266
Energy: 0.7539896530720819

minimum gb energy = 0.5887886834858955 eV
minimum distance =  2.54406753171931 Angstroms
sigma value = 101


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

Energy: 0.791111941526069
Energy: 0.6837142794689984
Energy: 1.001524906983286
Energy: 0.7718021625765947
Energy: 1.04190183649725
Energy: 0.763038349781431
Energy: 0.6976229055091121
Energy: 0.6616076700008267
Energy: 0.702470568332589
Energy: 0.7785994798697677
Energy: 0.6760868516861013
Energy: 0.7024568227983468
Energy: 0.7115509637738381
Energy: 0.7182516415997753
Energy: 0.721375539837814
Energy: 0.7137686831046774
Energy: 0.7122427546081768
Energy: 0.7200884128072899
Energy: 0.7317273274742578
Energy: 0.7015352979133079
Energy: 0.7012470872469347
Energy: 0.724653061331482
Energy: 0.6808973210805933
Energy: 0.7007784121397317
Energy: 0.5945780731522231
Energy: 0.7237379634936758
Energy: 0.719093506082532
Energy: 0.5949417160106226
Energy: 0.710865916625019
Energy: 0.5848689493696217
Energy: 0.6294737504452297
Energy: 0.7080144913678567
Energy: 0.7012960640814109
Energy: 0.6296672494551085
Energy: 0.708174169128319
Energy: 0.7092807363073403
Energy: 0.9116897191013869
Energy: 0.7481668700085404
Energy: 0.741983725971224
Energy: 0.8806712051196407
Energy: 0.7000660045326051
Energy: 0.741278510240664
Energy: 0.6763811294932841
Energy: 0.6708639844845908
Energy: 0.6707952985132033
Energy: 0.6907381235004995
Energy: 0.6982421197347285
Energy: 0.7026929677932774
Energy: 0.5777122848048308
Energy: 0.5719354722217127
Energy: 0.5719401224370736
Energy: 0.5767660414580935
Energy: 0.675490032394306
Energy: 0.5729370829529197
Energy: 0.5774340618708157
Energy: 0.7052139451500234
Energy: 0.7017978735180043
Energy: 0.5777984186867453
Energy: 0.7213697281419609
Energy: 0.7013677131039596
Energy: 0.7311473933687164
Energy: 0.818676980124291
Energy: 0.7688600228793954
Energy: 0.7299278278128941
Energy: 0.7800573609752521
Energy: 0.7672736136902367
Energy: 0.7253567853160972
Energy: 0.6880626450302054
Energy: 0.7189999641799718
Energy: 0.7254239614698463
Energy: 0.6631304486582524
Energy: 0.703275631004415
Energy: 0.6937436396261187
Energy: 0.8007035965696542
Energy: 0.7178947365656398
Energy: 0.6860699344038196
Energy: 0.793974687332482
Energy: 0.753594788623101
Energy: 0.6044542527006117
Energy: 0.7478105740957299
Energy: 0.7053863648402929
Energy: 0.6039412518476542
Energy: 0.7206868530064708
Energy: 0.7032909289550462
Energy: 0.6884012450516908
Energy: 0.5721700471810425
Energy: 0.5722676846743995
Energy: 0.6880442900182583
Energy: 0.5758511786970368
Energy: 0.5722348851416428
Energy: 0.6916343626120137
Energy: 0.5729399150523974
Energy: 0.5727517593302945
Energy: 0.6970360346036275
Energy: 0.5978714099850273
Energy: 0.5720023341668506
Energy: 0.7935723427150574
Energy: 0.8238982153315138
Energy: 0.6787521931761082
Energy: 0.7716166693592446
Energy: 0.8604596789830531
Energy: 0.7625528715404087
Energy: 0.6924580232007952
Energy: 0.6871799386028844
Energy: 0.7069540957052031
Energy: 0.6803015016150616
Energy: 0.7093929842260136
Energy: 0.6987899255885889
Energy: 0.7160435471218097
Energy: 0.7222105226542207
Energy: 0.722374575089243
Energy: 0.7029182154632585
Energy: 0.5772976613790587
Energy: 0.7197069636054849
Energy: 0.7314226174130015
Energy: 0.6417469322265503
Energy: 0.6006196930697949
Energy: 0.7316388293712427
Energy: 0.6149618064786704
Energy: 0.7184928932224747
Energy: 0.5960787556063317
Energy: 0.7356860143987493
Energy: 0.7227517782588465
Energy: 0.594909569283004
Energy: 0.7319079121627798
Energy: 0.5844275084277574
Energy: 0.6281267425714627
Energy: 0.6698759203917284
Energy: 0.6772437139019035
Energy: 0.6283609224107919
Energy: 0.7304831964840603
Energy: 0.6379319581844005
Energy: 0.9094798467265393
Energy: 0.7414784778763172
Energy: 0.7685650591036396
Energy: 0.8815891367494498
Energy: 0.8184949234253529
Energy: 0.7318523488516496
Energy: 0.8020436149502372
Energy: 0.6442282395278314
Energy: 0.7562685601662772
Energy: 0.801863617165211
Energy: 0.7295640247865636
Energy: 0.7769864965715255
Energy: 0.5823373206006062
Energy: 0.573245896366204
Energy: 0.5716017728231116
Energy: 0.5786806181337798
Energy: 0.7129203757141946
Energy: 0.5738293109318908
Energy: 0.5777241400266014
Energy: 0.7177878081981598
Energy: 0.628647166014328
Energy: 0.5772052979350227
Energy: 0.7166853510255163
Energy: 0.5732384051209616
Energy: 0.7713586318830526
Energy: 0.8209801435075103
Energy: 0.8208156272241464
Energy: 0.7716059995641739
Energy: 0.8186411710699265
Energy: 0.8090115025999542
Energy: 0.7198049567447181
Energy: 0.6740141045208834
Energy: 0.7251818269023154
Energy: 0.7204510558441234
Energy: 0.6259728787887989
Energy: 0.7152084401331575
Energy: 0.6884957006873683
Energy: 0.8010298099896176
Energy: 0.7523999271044475
Energy: 0.6803046560663804
Energy: 0.794463321953411
Energy: 0.6994145176488719
Energy: 0.693542317834754
Energy: 0.7706983620193554
Energy: 0.7847734756081377
Energy: 0.6804798550105067
Energy: 0.7708284705433744
Energy: 0.6425425499425762
Energy: 0.6920445094680917
Energy: 0.57224831814229
Energy: 0.5722831812844386
Energy: 0.691858558665745
Energy: 0.5780186979467051
Energy: 0.5723725761084333
Energy: 0.6887279992799661
Energy: 0.5725704335981129
Energy: 0.5724027154709581
Energy: 0.6984286844098242
Energy: 0.5772582589619059
Energy: 0.5727893984450235
Energy: 0.7856419346965916
Energy: 0.8091709322903837
Energy: 0.7562705521464002
Energy: 0.7715483470339974
Energy: 0.8033115506882141
Energy: 0.7660398322519959

minimum gb energy = 0.5716017728231116 eV
minimum distance =  2.56505099137779 Angstroms
sigma value = 33


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

Energy: 0.011765190309679366
Energy: 0.012442255330542346
Energy: 0.012355004040218555
Energy: 0.011984371639487046
Energy: 0.42167245826908484
Energy: 0.012062836907649397
Energy: 0.013409481985812675
Energy: 0.08390702982529721
Energy: 0.0839937068212836
Energy: 0.08395131969357977
Energy: 0.08388816063310774
Energy: 0.08393165565807265
Energy: 0.7489279199389139
Energy: 0.42652964326221354
Energy: 0.4205285312611217
Energy: 0.41859889299709696
Energy: 0.4226909712058716
Energy: 0.4207909840848549
Energy: 0.013409481986147788
Energy: 0.08390702982565204
Energy: 0.08399370682059365
Energy: 0.08395131969357977
Energy: 0.08388816063310774
Energy: 0.08393165565807265

minimum gb energy = 0.011765190309679366 eV
minimum distance =  2.82549534684472 Angstroms
sigma value = 1