Model name: model_name=EAM_Dynamo_Ackland_1987_Au__MO_754413982908_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.078000083565712
cohesive_energy=3.78934329297956
mass=196.9665
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=[7.82068878177786e-21, 1.174496409849942e-19, 1.9807068855488397e-19, 2.59502947232346e-19, 3.0889965503519997e-19, 3.500804010589019e-19, 3.85353921833046e-19, 4.1608206749653196e-19, 4.42644553911618e-19, 4.652112118015079e-19, 4.8492279092961e-19, 5.03077054369464e-19, 5.201290202851259e-19, 5.358431687113979e-19, 5.5003364715873595e-19, 5.62609131559002e-19, 5.73537578379516e-19, 5.828302028567159e-19, 5.90520650699916e-19, 5.96664998091306e-19, 6.013225255663439e-19, 6.04563728896926e-19, 6.0645589950168e-19, 6.0707273750577e-19, 6.063549623737379e-19, 6.038091037023119e-19, 5.987606451285779e-19, 5.904197135719739e-19, 5.77852240054878e-19, 5.59959131406366e-19, 5.354362158463619e-19, 5.02897610586456e-19, 4.622407763220719e-19, 4.1427801660664794e-19, 3.6004113319247993e-19, 2.9909112968185198e-19, 2.2933556339076e-19, 1.4811385980078359e-19, 5.206929864602939e-20, -6.351076242475019e-20, -2.0543108801148e-19, -3.8262861937861203e-19, -6.0624761653926e-19, -8.839801295132579e-19, -1.2232794840019739e-18, -1.64450614067028e-18, -2.18451977515998e-18, -2.88901286289612e-18, -3.77854133009292e-18, -4.95059762492928e-18, -6.5994456642776995e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011483840650453023
Energy: 0.01219573159009489
Energy: 0.012427477152996743
Energy: 0.011635818715042108
Energy: 0.39073853218399507
Energy: 0.01193387935958121
Energy: 0.012195731590313947
Energy: 0.07204923744673822
Energy: 0.07201597078926021
Energy: 0.07197830955895924
Energy: 0.07196883488117417
Energy: 0.07210618812103636
Energy: 0.012427477153955117
Energy: 0.07201597078468741
Energy: 0.07204231129084655
Energy: 0.0121474754526647
Energy: 0.07206998458456028
Energy: 0.07195662070943042
Energy: 0.011635818715042108
Energy: 0.07197830956690006
Energy: 0.0121474754526647
Energy: 0.011659076113669096
Energy: 0.07201555737113739
Energy: 0.011937372907814206
Energy: 0.3907385321849535
Energy: 0.07196883487539653
Energy: 0.07206998459252846
Energy: 0.07201555736727651
Energy: 0.07204824010606778
Energy: 0.07205738149719881
Energy: 0.01193387935958121
Energy: 0.07210618812032443
Energy: 0.07195662070896491
Energy: 0.011937372907567764
Energy: 0.07205738149404986
Energy: 0.012150152869198245

minimum gb energy = 0.011483840650453023 eV
minimum distance =  2.87673752716426 Angstroms
sigma value = 1


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

Energy: 1.0475622202384338
Energy: 0.7393129109394717
Energy: 0.71358094721249
Energy: 0.724137862776897
Energy: 0.7581400039044699
Energy: 0.7087026727687039
Energy: 1.0014920372001705
Energy: 0.7060817021317641
Energy: 0.6888492643778545
Energy: 0.6910710003166947
Energy: 0.706325844485036
Energy: 0.6905978966954345
Energy: 0.9698576106847026
Energy: 0.6819825494035213
Energy: 0.6666519436406724
Energy: 0.6876173881933481
Energy: 0.7123545566051019
Energy: 0.6799901520583349
Energy: 1.1423905764504807
Energy: 0.7019713329002712
Energy: 0.6926386589245042
Energy: 0.6848515627717616
Energy: 0.7293943253299793
Energy: 0.6938746918027037
Energy: 0.9723689905468169
Energy: 0.6987662034044985
Energy: 0.6886171108440879
Energy: 0.6924357259612722
Energy: 0.6878602432574199
Energy: 0.6887256619365842
Energy: 0.9275762477254638
Energy: 0.6975069097472142
Energy: 0.6963541555924098
Energy: 0.6877862479957856
Energy: 0.6992480662541815
Energy: 0.6979749210178811
Energy: 0.9272041315233389
Energy: 0.6972145106379057
Energy: 0.6978650048536753
Energy: 0.6813401631946642
Energy: 0.6838676449737252
Energy: 0.6975333143264426
Energy: 0.9005894305588418
Energy: 0.6886945110267662
Energy: 0.6885151914994448
Energy: 0.6852438897804006
Energy: 0.6855669012626795
Energy: 0.6969472058610323
Energy: 0.7380373224415359
Energy: 0.6883865391600723
Energy: 0.6801537709815361
Energy: 0.7263079767516272
Energy: 0.6891947509072945
Energy: 0.6833863797883241
Energy: 0.7404219884282323
Energy: 0.6918199240315329
Energy: 0.6908827533215358
Energy: 0.6881848094869972
Energy: 0.6921251363931995
Energy: 0.6914134212774519
Energy: 0.7879777949877192
Energy: 0.6979464165194369
Energy: 0.6969044303059303
Energy: 0.7144781408405013
Energy: 0.6919525732290143
Energy: 0.6878076906950537
Energy: 0.713387200276951
Energy: 0.6927968721234767
Energy: 0.696289358977588
Energy: 0.7118183449928337
Energy: 0.6859551454409918
Energy: 0.6811089581557576
Energy: 0.7067112307027199
Energy: 0.6904654811429758
Energy: 0.6893782659193246
Energy: 0.7066509175586223
Energy: 0.6910759563059006
Energy: 0.6920259254747556
Energy: 0.8267365190490725
Energy: 0.700041646228259
Energy: 0.6915214114542096
Energy: 0.7709259436819873
Energy: 0.699939556476912
Energy: 0.7311337306444121
Energy: 0.7179141905413163
Energy: 0.6914263153097507
Energy: 0.6912800925003458
Energy: 0.6949310681724391
Energy: 0.6919790986699951
Energy: 0.6873717027683445
Energy: 0.7243236216764378
Energy: 0.6956720659016432
Energy: 0.6701328925030725
Energy: 0.7191969146929235
Energy: 0.6887293669941819
Energy: 0.6731749345791092
Energy: 0.8446532346119815
Energy: 0.6941959156220119
Energy: 0.6945015598829013
Energy: 0.6878904456422323
Energy: 0.6795930304746306
Energy: 0.6958901380851608
Energy: 0.8275536292774055
Energy: 0.6903924674916092
Energy: 0.6886773001052466
Energy: 0.6887004850542615
Energy: 0.6883707237515917
Energy: 0.6885666317687305
Energy: 0.8305520129928576
Energy: 0.6900008203021705
Energy: 0.6883545716543665
Energy: 0.6886562115967889
Energy: 0.6897708252488898
Energy: 0.6881277438463057
Energy: 0.9114351582611409
Energy: 0.6901915418480709
Energy: 0.688425271533994
Energy: 0.6880172470993522
Energy: 0.6887309041328256
Energy: 0.6877854980784515
Energy: 1.0472399277873876
Energy: 0.6755023161945793
Energy: 0.6864440394294655
Energy: 0.7012378435220522
Energy: 0.7145684459496001
Energy: 0.7006880799859054
Energy: 0.936370116156471
Energy: 0.682169024500994
Energy: 0.6778029153062305
Energy: 0.6861263883027359
Energy: 0.7211479737736005
Energy: 0.6702204729291061
Energy: 1.0015328966835828
Energy: 0.6946273152628719
Energy: 0.6944748620516603
Energy: 0.694475865469316
Energy: 0.6952245886409764
Energy: 0.6905493121483838

minimum gb energy = 0.6666519436406724 eV
minimum distance =  2.70304033490915 Angstroms
sigma value = 33


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

Energy: 1.2412283761128262
Energy: 0.7805344136016675
Energy: 0.737708236395246
Energy: 0.7382418344265058
Energy: 0.743432402387282
Energy: 0.7735078414261906
Energy: 0.7456931208500195
Energy: 0.7088902251886303
Energy: 0.6917828957363518
Energy: 0.7142595400323417
Energy: 0.7147986452524568
Energy: 0.6961660468830454
Energy: 0.7511212265770331
Energy: 0.7149569783881875
Energy: 0.7071264568337301
Energy: 0.7464588258514837
Energy: 0.711698858979096
Energy: 0.7610975044062146
Energy: 0.9419560728637849
Energy: 0.774538829838701
Energy: 0.7232362955369093
Energy: 0.7317712485884977
Energy: 0.7722287211509279
Energy: 0.7445020037572349
Energy: 0.7636924498539746
Energy: 0.8137699094368147
Energy: 0.7132254697722823
Energy: 0.7149522583504033
Energy: 0.708516288853647
Energy: 0.8060076917046263
Energy: 0.9587291806446858
Energy: 0.7131738501308835
Energy: 0.7974947603198266
Energy: 0.7657699644700547
Energy: 0.8126442506001146
Energy: 0.7989398696585948
Energy: 0.95889363278656
Energy: 0.7477348449891406
Energy: 0.8003975992875592
Energy: 0.7589922938328404
Energy: 0.7495932957811929
Energy: 0.757159867773213
Energy: 0.9391230774326772
Energy: 0.7481365459315434
Energy: 0.7506832194128543
Energy: 0.7229603384600992
Energy: 0.7481283816233139
Energy: 0.750513975971354
Energy: 0.7892150129105171
Energy: 0.7474598128944376
Energy: 0.7991500137687538
Energy: 0.7889199478496834
Energy: 0.747203026447719
Energy: 0.760225872589446
Energy: 0.7902835525030382
Energy: 0.7955390751758309
Energy: 0.7552173896535632
Energy: 0.7588881336098013
Energy: 0.7575466080896426
Energy: 0.7521212085363429
Energy: 0.8089464287378922
Energy: 0.6887572001005705
Energy: 0.7133182645469869
Energy: 0.7863790951351352
Energy: 0.696756867008952
Energy: 0.6848541427296831
Energy: 0.7533070980299795
Energy: 0.7248555091768464
Energy: 0.7341773991780097
Energy: 0.7533381793624195
Energy: 0.7004561665738336
Energy: 0.7441127945868353
Energy: 0.749998036174313
Energy: 0.7947362584840773
Energy: 0.7920204497742118
Energy: 0.7441907072637364
Energy: 0.7580766089707346
Energy: 0.7560067140983315
Energy: 0.7759289694858098
Energy: 0.7308800110325474
Energy: 0.7457318840373707
Energy: 0.7750637023551568
Energy: 0.74577202443836
Energy: 0.7452535940795587
Energy: 0.7636203340755765
Energy: 0.8005016519984947
Energy: 0.8010339229801536
Energy: 0.7673264233811209
Energy: 0.7556464402470308
Energy: 0.756643966450828
Energy: 0.8356500382995371
Energy: 0.7905568997596109
Energy: 0.800796168052337
Energy: 0.8145741706534072
Energy: 0.8076311105399323
Energy: 0.7593736989110582
Energy: 0.7604137426391409
Energy: 0.8011248778692355
Energy: 0.8007919082398174
Energy: 0.8057101016565734
Energy: 0.8129975448124738
Energy: 0.8014361902993132
Energy: 0.8323089499172028
Energy: 0.7993970357637907
Energy: 0.7988023859892059
Energy: 0.7480857852190574
Energy: 0.7689730962206495
Energy: 0.7487983109930372
Energy: 0.7963603956367136
Energy: 0.7933502470640686
Energy: 0.8012184394032016
Energy: 0.7479226194103721
Energy: 0.7949976271053057
Energy: 0.7917967517113453
Energy: 0.8124537575856217
Energy: 0.7896563592119679
Energy: 0.7887815294489129
Energy: 0.7956960206162742
Energy: 0.7903289412292405
Energy: 0.7950414747324006
Energy: 1.1717552672309808
Energy: 0.7613784399119472
Energy: 0.6847243630731074
Energy: 0.7011109777118398
Energy: 0.7695227642553029
Energy: 0.6955220068735477
Energy: 0.947416327471053
Energy: 0.7772220909218428
Energy: 0.7814879419690127
Energy: 0.7010738527065338
Energy: 0.7869088841677102
Energy: 0.775701816658487
Energy: 0.8997787976692936
Energy: 0.7881555632719672
Energy: 0.7873758982052151
Energy: 0.7953227691856529
Energy: 0.7864183608144019
Energy: 0.7933881582741189
Energy: 1.0273138147796483
Energy: 0.875144187087152
Energy: 0.8842829940867537
Energy: 0.7473782647869102
Energy: 0.8740469335382374
Energy: 0.730551971372084
Energy: 0.7994904517886544
Energy: 0.8077355810656813
Energy: 0.804297435765259
Energy: 0.7952336853794791
Energy: 0.80533917328325
Energy: 0.7952001539948248
Energy: 0.7650275536992674
Energy: 0.8019606290820442
Energy: 0.7973474374077657
Energy: 0.7644907831090547
Energy: 0.8111633842772615
Energy: 0.797809204298434
Energy: 1.0694159232154246
Energy: 0.7503910890571933
Energy: 0.7530738985372556
Energy: 0.808046799701546
Energy: 0.8171708732703465
Energy: 0.759019561591583
Energy: 0.9172953821082839
Energy: 0.7480065878140207
Energy: 0.748725967248228
Energy: 0.7544071652838525
Energy: 0.748065518288286
Energy: 0.8031918841982065
Energy: 0.7781389970185213
Energy: 0.7478106863514535
Energy: 0.7487316757558541
Energy: 0.762703059722553
Energy: 0.7480987632095027
Energy: 0.7936027204926474
Energy: 0.784340096334972
Energy: 0.7551264461427962
Energy: 0.7534602893742193
Energy: 0.7558136813578025
Energy: 0.7956239643085602
Energy: 0.7570755958179187
Energy: 0.7571638316347015
Energy: 0.7010728939699943
Energy: 0.7012097920998365
Energy: 0.7456114670503752
Energy: 0.7269598268758676
Energy: 0.7229595292792519
Energy: 0.7565213268271834
Energy: 0.6828124323542795
Energy: 0.6831287929972125
Energy: 0.7564636556232313
Energy: 0.7254092595971272
Energy: 0.7505892934298134
Energy: 0.753817882143441
Energy: 0.7513052905806102
Energy: 0.7550307640868072
Energy: 0.7540542476060437
Energy: 0.7918600118610182
Energy: 0.7339132402068431
Energy: 0.7766953834466397
Energy: 0.7459925805163531
Energy: 0.7441919381979528
Energy: 0.768672633411852
Energy: 0.7476935253801125
Energy: 0.7453623733159442
Energy: 0.8090750469061557
Energy: 0.7589401173767243
Energy: 0.7585805418397998
Energy: 0.7802328939524664
Energy: 0.7994376808203548
Energy: 0.8057161983034089
Energy: 0.829585870706598
Energy: 0.7643966249617288
Energy: 0.7493987022921521
Energy: 0.7718649943887763
Energy: 0.7610949815248955
Energy: 0.7618024938132203
Energy: 0.7910249895920323
Energy: 0.8172455340593773
Energy: 0.7210969347795522
Energy: 0.7259382009181571
Energy: 0.720885326406441
Energy: 0.7349972953195794
Energy: 0.7917871983460824
Energy: 0.7646486365144386
Energy: 0.7117221808785545
Energy: 0.747739529691733
Energy: 0.7107921606465197
Energy: 0.8079997913187109
Energy: 0.8322006731968118
Energy: 0.7136930825650895
Energy: 0.713690633793151
Energy: 0.7481478923352755
Energy: 0.7158045819058251
Energy: 0.7495813289758703
Energy: 0.7665218179551813
Energy: 0.7202151482775253
Energy: 0.717088233277656
Energy: 0.7133337492579135
Energy: 0.7208703128069278
Energy: 0.7213484730157175
Energy: 0.9432258675601386
Energy: 0.7114430460508921
Energy: 0.6896325604151102
Energy: 0.6981978147526203
Energy: 0.7060911562848987
Energy: 0.7356644683937895

minimum gb energy = 0.6828124323542795 eV
minimum distance =  2.6695176409333 Angstroms
sigma value = 51


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

Energy: 1.0880135804512523
Energy: 0.8429009313043647
Energy: 0.8158766909135695
Energy: 0.683576816375392
Energy: 0.7873868792460949
Energy: 0.6845135634902421
Energy: 0.9429369872268297
Energy: 0.7170349279609451
Energy: 0.702687666371938
Energy: 0.7061766010339678
Energy: 0.7167798071266448
Energy: 0.7123514933828836
Energy: 0.8964654087764394
Energy: 0.7146004998846083
Energy: 0.7102278285626326
Energy: 0.726042253982838
Energy: 0.71456317997115
Energy: 0.7124591536860381
Energy: 0.9849768202694659
Energy: 0.6989337220400259
Energy: 0.7010409460858196
Energy: 0.7045326845845278
Energy: 0.7234005059268325
Energy: 0.7041714010435146
Energy: 0.8573738130702725
Energy: 0.7217565798991631
Energy: 0.7218944148428034
Energy: 0.7222428559489271
Energy: 0.7220347524251258
Energy: 0.7254457250538608
Energy: 0.8018465193228571
Energy: 0.7210874553836272
Energy: 0.7169796259222265
Energy: 0.7215589923188017
Energy: 0.7237795030242651
Energy: 0.7157701075506768
Energy: 0.8020797240994786
Energy: 0.722890861632315
Energy: 0.7231817087377346
Energy: 0.721727853663578
Energy: 0.7229250106650276
Energy: 0.7256364034643998
Energy: 0.8097673027724375
Energy: 0.6942716473875807
Energy: 0.6942328135244938
Energy: 0.7622808327390842
Energy: 0.6936352894845884
Energy: 0.6941417074943208
Energy: 0.7146122719770858
Energy: 0.6970595107846712
Energy: 0.6960643969877593
Energy: 0.7142170148692308
Energy: 0.7225125473078965
Energy: 0.7105478093326393
Energy: 0.7191934010146879
Energy: 0.7231668352828804
Energy: 0.7389015608511462
Energy: 0.7192409755216863
Energy: 0.7068276261865077
Energy: 0.6982517550669641
Energy: 0.7155334574175419
Energy: 0.6978580180963612
Energy: 0.6975267704146331
Energy: 0.7149027491391491
Energy: 0.696272258816437
Energy: 0.6964566181670588
Energy: 0.720756737731618
Energy: 0.7067585788946563
Energy: 0.7248222248956515
Energy: 0.7080999208774732
Energy: 0.7204157770757627
Energy: 0.7198632189643118
Energy: 0.7179974546200053
Energy: 0.7107457928712114
Energy: 0.708158459601112
Energy: 0.7201316495120982
Energy: 0.7109292298777372
Energy: 0.7081649333085774
Energy: 0.7203717602804042
Energy: 0.7083460173516678
Energy: 0.7082791814546285
Energy: 0.7180899393038441
Energy: 0.708538789515313
Energy: 0.7078729118536017
Energy: 0.9346595151144155
Energy: 0.7105439660400675
Energy: 0.711131191126507
Energy: 0.7104053097127488
Energy: 0.7109555530088312
Energy: 0.7108336506667835
Energy: 0.8637224167374713
Energy: 0.711823702996135
Energy: 0.7077453622296829
Energy: 0.7107128328971816
Energy: 0.7176470526280487
Energy: 0.7103174403597139
Energy: 0.8582711001995122
Energy: 0.7114067286028639
Energy: 0.7133722423421966
Energy: 0.7230326930063395
Energy: 0.7177803910297555
Energy: 0.7181499562036486
Energy: 1.0682565696905995
Energy: 0.6926223684444347
Energy: 0.6958237059408631
Energy: 0.6925031661374953
Energy: 0.6988084767271494
Energy: 0.7090218709270976

minimum gb energy = 0.683576816375392 eV
minimum distance =  2.71096359680244 Angstroms
sigma value = 19


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

Energy: 0.8961601138678014
Energy: 0.6391714947671737
Energy: 0.7722974002097772
Energy: 0.689505414728886
Energy: 0.6308312788175333
Energy: 0.7708457703734618
Energy: 0.6049095883223159
Energy: 0.6263562528050193
Energy: 0.6271603802677356
Energy: 0.6494762712598219
Energy: 0.6262683096360667
Energy: 0.6271081743562904
Energy: 0.7330878832326662
Energy: 0.6265737559360002
Energy: 0.6268257880562816
Energy: 0.6156840198670678
Energy: 0.6267410544576382
Energy: 0.6269723626063229
Energy: 0.7459776981535094
Energy: 0.626967229294469
Energy: 0.6268662729058813
Energy: 0.6376523374766399
Energy: 0.6268280758448879
Energy: 0.6274991495919976
Energy: 0.7113636996628749
Energy: 0.626670012833161
Energy: 0.649515350829281
Energy: 0.614592421818322
Energy: 0.6264459305232988
Energy: 0.6483889602539404
Energy: 0.7734464787405507
Energy: 0.6049620167429056
Energy: 0.6479337139610731
Energy: 0.6498268615443068
Energy: 0.6048209653924896
Energy: 0.6475761574397386
Energy: 0.8111983961238602
Energy: 0.6153493814118399
Energy: 0.6488143992240893
Energy: 0.6490210042000083
Energy: 0.6150183302995252
Energy: 0.6479169440447969
Energy: 0.7621472982623357
Energy: 0.6050562597949188
Energy: 0.6049685936852668
Energy: 0.7618779674838593
Energy: 0.6051562206695085
Energy: 0.6050644319666191
Energy: 0.6266175190557334
Energy: 0.605628297256749
Energy: 0.6054723149594513
Energy: 0.6263579288465679
Energy: 0.6065334560306663
Energy: 0.6056884817214311
Energy: 0.6263757478072709
Energy: 0.6485278336322133
Energy: 0.62763967541781
Energy: 0.6264313992631579
Energy: 0.6150868353567783
Energy: 0.6269117407423347
Energy: 0.6255872852779795
Energy: 0.6877459527158557
Energy: 0.685744540667192
Energy: 0.6257283021915753
Energy: 0.637857675733592
Energy: 0.6270166767372045
Energy: 0.7331475645583502
Energy: 0.6495696006043109
Energy: 0.6489439504504664
Energy: 0.626681667324622
Energy: 0.6152356712911115
Energy: 0.6275848695666788
Energy: 0.6032784900680229
Energy: 0.6489200081469616
Energy: 0.6483530835721475
Energy: 0.6044821207817319
Energy: 0.6490257256283161
Energy: 0.6488269578725817
Energy: 0.7329979633294592
Energy: 0.6507008261344954
Energy: 0.6493693701842402
Energy: 0.626515800676157
Energy: 0.6499534312226913
Energy: 0.6488803719270891
Energy: 0.6044493593893403
Energy: 0.6277246545944085
Energy: 0.627809299704378
Energy: 0.6058874518729739
Energy: 0.6265037419196685
Energy: 0.60560647994796
Energy: 0.9039457355168097
Energy: 0.6279454159354532
Energy: 0.6051949382434394
Energy: 0.605169738667163
Energy: 0.6279751961247009
Energy: 0.6049977755238338
Energy: 0.7119607318776793
Energy: 0.6265837489253908
Energy: 0.6268288893272507
Energy: 0.6148111521516995
Energy: 0.625976155899775
Energy: 0.6278011251927874
Energy: 0.7865870501865887
Energy: 0.6271463522073415
Energy: 0.6271577917646284
Energy: 0.6377935963536042
Energy: 0.6276887190340408
Energy: 0.6271964202421846
Energy: 0.7883913644451338
Energy: 0.6274457815086945
Energy: 0.6268670654854873
Energy: 0.6378158183297509
Energy: 0.6275833010100709
Energy: 0.6268090044177509
Energy: 0.733313068619817
Energy: 0.6048624958341938
Energy: 0.648307624018468
Energy: 0.6265956476663389
Energy: 0.6046870334152824
Energy: 0.6480958473311937
Energy: 0.7684578291470342
Energy: 0.6275176172581673
Energy: 0.6492117214381077
Energy: 0.6489688598305873
Energy: 0.6263445737953084
Energy: 0.6503130168118566
Energy: 0.7535799860855308
Energy: 0.6153801744352536
Energy: 0.706911111492848
Energy: 0.6266502807294844
Energy: 0.6151947573142716
Energy: 0.6487247150488784
Energy: 0.7326347838922425
Energy: 0.6053546788954127
Energy: 0.6048646840136442
Energy: 0.7630924844742618
Energy: 0.6051597812159366
Energy: 0.6052408840577178
Energy: 0.626210969456993
Energy: 0.6483627427224756
Energy: 0.6485590257472089
Energy: 0.6263331537594659
Energy: 0.6364149776517585
Energy: 0.6270050160900906
Energy: 0.6263950466082782
Energy: 0.6493623878861733
Energy: 0.6277795955089664
Energy: 0.6264620785050875
Energy: 0.6153085215902455
Energy: 0.6268379709072504
Energy: 0.6156143130207564
Energy: 0.6377749069217801
Energy: 0.6377192297911151
Energy: 0.6154073675133723
Energy: 0.6376707635241173
Energy: 0.6266688436040907
Energy: 0.7549955379381907
Energy: 0.6490505603078466
Energy: 0.6487853095216868
Energy: 0.6264333634766261
Energy: 0.6149166098771848
Energy: 0.6489501707385318
Energy: 0.6046032709389232
Energy: 0.6484023175774065
Energy: 0.6475591129472404
Energy: 0.6046330369720732
Energy: 0.6492784013131013
Energy: 0.6476605564516558
Energy: 0.7125304060840575
Energy: 0.6483227233517102
Energy: 0.6477839334765989
Energy: 0.6148963155440939
Energy: 0.6490369730063976
Energy: 0.648478462582419
Energy: 0.9039703422082767
Energy: 0.6276710247458609
Energy: 0.6050473080696566
Energy: 0.6051407874527274
Energy: 0.626401302768227
Energy: 0.6052708911072516

minimum gb energy = 0.6032784900680229 eV
minimum distance =  2.75110498546045 Angstroms
sigma value = 27


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

Energy: 0.7602138479079954
Energy: 0.7488342310619837
Energy: 0.8148237140721597
Energy: 0.6402549233906253
Energy: 0.7148890813763957
Energy: 0.8134121507148052
Energy: 0.6914237864469143
Energy: 0.6751351879354243
Energy: 0.6402236238828068
Energy: 0.6393357358709789
Energy: 0.6931867310727893
Energy: 0.6392494993893149
Energy: 0.6995747912849277
Energy: 0.6906624453913895
Energy: 0.6719998085922824
Energy: 0.6741883994761216
Energy: 0.6913093690083956
Energy: 0.6400497643647091
Energy: 0.896596113466037
Energy: 0.6868330953827285
Energy: 0.6813391790566324
Energy: 0.6587108846846785
Energy: 0.724928284744846
Energy: 0.645584131806931
Energy: 0.8036040254565278
Energy: 0.6094285749336708
Energy: 0.6400803068367251
Energy: 0.6707300542084228
Energy: 0.6102955580204672
Energy: 0.6387851965810698
Energy: 0.691758325595667
Energy: 0.6102177265769776
Energy: 0.6100776933533603
Energy: 0.691818019823683
Energy: 0.6153864881877853
Energy: 0.6098201085196815
Energy: 0.6740771280061519
Energy: 0.6602261983226156
Energy: 0.6391505033288127
Energy: 0.6742145461060376
Energy: 0.6397785175894598
Energy: 0.6394097747081618
Energy: 0.7252002123347147
Energy: 0.6504451081814221
Energy: 0.6275559891048369
Energy: 0.7253198781961925
Energy: 0.6443881602085508
Energy: 0.6808961955780859
Energy: 0.7765023559058079
Energy: 0.659177126371074
Energy: 0.6564519967299391
Energy: 0.6787140898314342
Energy: 0.6624320491347956
Energy: 0.6567519790809145
Energy: 0.6165394285191836
Energy: 0.6436477742038273
Energy: 0.6409148878814993
Energy: 0.6494006146639985
Energy: 0.6447847254607485
Energy: 0.6456983454459632
Energy: 0.7001696993359393
Energy: 0.6479288146686328
Energy: 0.6442173987117248
Energy: 0.6769687451759375
Energy: 0.6461450862562278
Energy: 0.6457709785014166
Energy: 0.6914237862323307
Energy: 0.6840356603538199
Energy: 0.64044699797972
Energy: 0.6411891550971544
Energy: 0.6779940279743883
Energy: 0.6412123696778708

minimum gb energy = 0.6094285749336708 eV
minimum distance =  2.73345494793849 Angstroms
sigma value = 9


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

Energy: 1.0918342436005828
Energy: 0.7360471176704977
Energy: 0.894036391543104
Energy: 0.714997858323792
Energy: 0.861402961060254
Energy: 0.6517622382311504
Energy: 0.5553391637667753
Energy: 0.5986034721399183
Energy: 0.5663396797708952
Energy: 0.571842262280612
Energy: 0.614363626195067
Energy: 0.5654151097445546
Energy: 0.7704962574467259
Energy: 0.594637857671814
Energy: 0.5685982034126474
Energy: 0.6054244349804649
Energy: 0.5962210955164428
Energy: 0.5702825142394023
Energy: 0.766621163395369
Energy: 0.5786269282052798
Energy: 0.5683875585606867
Energy: 0.5757748759353801
Energy: 0.5963942011906864
Energy: 0.5888068302464716
Energy: 0.5978363102927032
Energy: 0.5955792787395706
Energy: 0.5756069244788907
Energy: 0.6555705283852068
Energy: 0.59538340357521
Energy: 0.5804793443935913
Energy: 0.6356268866764846
Energy: 0.5796281695840465
Energy: 0.5883884479950799
Energy: 0.6357553183641009
Energy: 0.5785667263203575
Energy: 0.6109613466245626
Energy: 0.6667855985768187
Energy: 0.561066936243987
Energy: 0.5611799978299856
Energy: 0.6610842350558616
Energy: 0.595874363780677
Energy: 0.5896958974269628
Energy: 0.6811989865862924
Energy: 0.5902011906792168
Energy: 0.5908176629330896
Energy: 0.6082144605080988
Energy: 0.588110319650641
Energy: 0.63592997280291
Energy: 0.6443610113051245
Energy: 0.5925707574340585
Energy: 0.5910385190036238
Energy: 0.6532786981001861
Energy: 0.6046688208980997
Energy: 0.5929356825894914
Energy: 0.8936928579862614
Energy: 0.641057720970312
Energy: 0.6268857184614116
Energy: 0.567751858472605
Energy: 0.6424571202779239
Energy: 0.583130243803406
Energy: 0.7282791991826795
Energy: 0.6485337674773195
Energy: 0.6323231480091995
Energy: 0.610657740329427
Energy: 0.65050405230897
Energy: 0.5902106805446267
Energy: 0.6440484892251691
Energy: 0.6556678252158614
Energy: 0.5890795009959615
Energy: 0.5732651959767442
Energy: 0.6610718954276742
Energy: 0.5621219635547414
Energy: 0.9757309650775846
Energy: 0.6375088662234282
Energy: 0.672985708534626
Energy: 0.6099144168727028
Energy: 0.6381739810854609
Energy: 0.6739990019193354
Energy: 0.6026740600099249
Energy: 0.5911053569221424
Energy: 0.5616878670174534
Energy: 0.5738422685155325
Energy: 0.6361893058114811
Energy: 0.5612107882659659
Energy: 0.5969280880573379
Energy: 0.5758152552120022
Energy: 0.5779155049566096
Energy: 0.5885018753725058
Energy: 0.5743081055583309
Energy: 0.5940876897311115
Energy: 0.5873963346166369
Energy: 0.5660279486189275
Energy: 0.5681753040283396
Energy: 0.5967302745867452
Energy: 0.6108011392970358
Energy: 0.564444048096665
Energy: 0.613969967756746
Energy: 0.5775682563687575
Energy: 0.5673954478302795
Energy: 0.6090271380596999
Energy: 0.5773319552368378
Energy: 0.5689681361557356
Energy: 0.5983327297741499
Energy: 0.5929965650406007
Energy: 0.579343599708414
Energy: 0.608095805323955
Energy: 0.5873989041411466
Energy: 0.6059093715184489
Energy: 0.5972212236973584
Energy: 0.5682905934969914
Energy: 0.5679508319970515
Energy: 0.589551211936162
Energy: 0.5842074494832656
Energy: 0.5611779926801798
Energy: 0.5952817167801184
Energy: 0.5761078733097323
Energy: 0.567399099673464
Energy: 0.5681410154154501
Energy: 0.5676150385547998
Energy: 0.5681592929252339
Energy: 0.5986233554450355
Energy: 0.5632708519826537
Energy: 0.5668802969197477
Energy: 0.5829130866866347
Energy: 0.58623325694408
Energy: 0.5754979851726628
Energy: 0.637651160560212
Energy: 0.5795582533850192
Energy: 0.6097702158562552
Energy: 0.5934200486715014
Energy: 0.6144644714318652
Energy: 0.5946528055099166
Energy: 0.6686721100092541
Energy: 0.6048884804409991
Energy: 0.5814442323736265
Energy: 0.5935296802320938
Energy: 0.6084183547603599
Energy: 0.5593742986947656
Energy: 0.5972612266020739
Energy: 0.5944937267481917
Energy: 0.5637134808407381
Energy: 0.6178469083332648
Energy: 0.598370332140069
Energy: 0.5664169066974875
Energy: 0.7478190425286612
Energy: 0.5891370560091231
Energy: 0.5990305050508302
Energy: 0.6662930531394172
Energy: 0.588446104282055
Energy: 0.6003553387685046
Energy: 0.5970807748937206
Energy: 0.5733927812152161
Energy: 0.5609386860596203
Energy: 0.660094295382068
Energy: 0.5735328878543535
Energy: 0.5670948105018379
Energy: 0.6218537881415371
Energy: 0.6442173342698739
Energy: 0.6152112152822713
Energy: 0.6221261219064811
Energy: 0.6085904439882027
Energy: 0.5893681828684032
Energy: 0.665264456298522
Energy: 0.5606390487214865
Energy: 0.5618632154924551
Energy: 0.6603220373816578
Energy: 0.5737882359226553
Energy: 0.5623587159621051
Energy: 0.6423105348253144
Energy: 0.589042418464763
Energy: 0.5897470408507263
Energy: 0.6437536836420357
Energy: 0.5888752397341449
Energy: 0.6154009762064873
Energy: 0.590364410657571
Energy: 0.5796242479812315
Energy: 0.6077504396630898
Energy: 0.6064967028216113
Energy: 0.5732853080737244
Energy: 0.6338317527210311
Energy: 0.5546853308410901
Energy: 0.6355122015072223
Energy: 0.5929336865056503
Energy: 0.6095172207320015
Energy: 0.6422129776549164
Energy: 0.5906695203230932
Energy: 0.8951268443207149
Energy: 0.6045765948458267
Energy: 0.5960305520670998
Energy: 0.5690700864954296
Energy: 0.6370245579692515
Energy: 0.5816754899052712
Energy: 0.6025932037811088
Energy: 0.6471360537515661
Energy: 0.5898769524922759
Energy: 0.6234512899391653
Energy: 0.640884471446893
Energy: 0.561152118237669
Energy: 0.7724429276721131
Energy: 0.6451964437372517
Energy: 0.5901293709367358
Energy: 0.5855955718026854
Energy: 0.644525645871707
Energy: 0.613054130919452
Energy: 0.5973171736053474
Energy: 0.6634183660101675
Energy: 0.5616178510259053
Energy: 0.6050492520151871
Energy: 0.656059223648982
Energy: 0.5622833304617588
Energy: 0.5973017244734754
Energy: 0.5805705723229779
Energy: 0.5884818521926026
Energy: 0.6093186930894955
Energy: 0.5797859335236023
Energy: 0.5771107031110752
Energy: 0.5948647630548245
Energy: 0.584124725951469
Energy: 0.5774876033208746
Energy: 0.5875090695817706
Energy: 0.5838933480650653
Energy: 0.5693430702955039
Energy: 0.6093760497349894
Energy: 0.5645353528328728
Energy: 0.564942620202086
Energy: 0.6091174960155826
Energy: 0.5636613540838031
Energy: 0.5907273717416281
Energy: 0.7205960585924139
Energy: 0.6754069393591184
Energy: 0.6468164928011565
Energy: 0.7205441545546599
Energy: 0.6286577088029663
Energy: 0.6617230284251623
Energy: 0.6001953223432821
Energy: 0.5641167238891109
Energy: 0.5611765780812447
Energy: 0.6081649329763266
Energy: 0.5627541251315102
Energy: 0.5679712903208363
Energy: 0.5928954649417635
Energy: 0.5735579041772703
Energy: 0.57358166486534
Energy: 0.566224247664088
Energy: 0.5750100869196544
Energy: 0.5703240401442073
Energy: 0.5972792725711326
Energy: 0.5663107951440475
Energy: 0.5713409838865434
Energy: 0.5749238761530975
Energy: 0.5693328634657383
Energy: 0.5614234214259751
Energy: 0.6686578090363859
Energy: 0.5713379235929192
Energy: 0.5693003123866665
Energy: 0.5935221781711517
Energy: 0.6086196690139422
Energy: 0.5390794866368105

minimum gb energy = 0.5390794866368105 eV
minimum distance =  2.73581242401568 Angstroms
sigma value = 57


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

Energy: 0.28441866865355114
Energy: 0.29236394672347316
Energy: 0.29421935492428314
Energy: 0.286911618543994
Energy: 0.3209455388906761
Energy: 0.3250102769446486
Energy: 0.28609124846163364
Energy: 0.3059456481595557
Energy: 0.3098463326257437
Energy: 0.32070249648651566
Energy: 0.32111969792137623
Energy: 0.32521126036952425
Energy: 0.3508518198930616
Energy: 0.3289515390577604
Energy: 0.30739629346088193
Energy: 0.3216221259282856
Energy: 0.3209786936522887
Energy: 0.30992333355561985
Energy: 0.35081579867494544
Energy: 0.32339679695209683
Energy: 0.30674643246890637
Energy: 0.3223354636830339
Energy: 0.35181249851699775
Energy: 0.3453484890194989
Energy: 0.34652092969339865
Energy: 0.2870097745282364
Energy: 0.30707654619885855
Energy: 0.34936471436834776
Energy: 0.2861612011133638
Energy: 0.3098055093230137
Energy: 0.32036356679610056
Energy: 0.28659435988609877
Energy: 0.28758804367809343
Energy: 0.30325318360301107
Energy: 0.2856593739332041
Energy: 0.30555549885142025
Energy: 0.3152444883345973
Energy: 0.3053042010949762
Energy: 0.3098547402888685
Energy: 0.3161651898142279
Energy: 0.30508540086041164
Energy: 0.31278295217718277
Energy: 0.32037822953543255
Energy: 0.3053560224474764
Energy: 0.337364642287608
Energy: 0.32041781394185903
Energy: 0.30387296076214954
Energy: 0.30747005016493484
Energy: 0.346790375153849
Energy: 0.32665979416476165
Energy: 0.31192146505002694
Energy: 0.3493930570273277
Energy: 0.32153154737229317
Energy: 0.3077120920923951
Energy: 0.2858216119346391
Energy: 0.3368152563780531
Energy: 0.3144379510837643
Energy: 0.2856720463363104
Energy: 0.32140900982881215
Energy: 0.30588907281580147
Energy: 0.28579723466800216
Energy: 0.30466900090553645
Energy: 0.3078717535152778
Energy: 0.28586040473243934
Energy: 0.30488912682684927
Energy: 0.3065785460148295
Energy: 0.35060095913419026
Energy: 0.3239571593546915
Energy: 0.3370966337833819
Energy: 0.3212767115146091
Energy: 0.32094942140896554
Energy: 0.3132238576025873
Energy: 0.35098460779941176
Energy: 0.35138435882903024
Energy: 0.36539970188235055
Energy: 0.3382834930806543
Energy: 0.351079413058848
Energy: 0.3213331156219189
Energy: 0.3476823618775606
Energy: 0.32353652663397753
Energy: 0.33840545734167843
Energy: 0.3227557588532296
Energy: 0.32103864558065
Energy: 0.31058294055163443
Energy: 0.350779250420002
Energy: 0.28611362208647906
Energy: 0.2870697959691426
Energy: 0.3209083321481188
Energy: 0.28702533564898025
Energy: 0.30561250875058366
Energy: 0.32006026126059406
Energy: 0.3075885806906437
Energy: 0.3106979839228754
Energy: 0.3206404543895163
Energy: 0.28575080719649765
Energy: 0.31058137221945603
Energy: 0.3208026867091258
Energy: 0.3348433480257877
Energy: 0.31188223591427694
Energy: 0.3208690195690132
Energy: 0.32258498831446286
Energy: 0.3088533916797496
Energy: 0.35062564653921485
Energy: 0.3048176986115361
Energy: 0.3372694439780171
Energy: 0.35088154050972825
Energy: 0.3035827231098155
Energy: 0.30737789866102183
Energy: 0.2858037377359732
Energy: 0.3058630541893254
Energy: 0.3082243955076611
Energy: 0.2861158775449492
Energy: 0.3240299280532236
Energy: 0.31059341246141237

minimum gb energy = 0.28441866865355114 eV
minimum distance =  2.79023522612137 Angstroms
sigma value = 11


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

Energy: 0.8665998956347648
Energy: 0.6617282713433662
Energy: 0.8396583824533177
Energy: 0.7620866871687256
Energy: 0.5685361163256454
Energy: 0.5583486939262529
Energy: 0.4798174663975315
Energy: 0.49653498220740044
Energy: 0.49096756806357245
Energy: 0.4709833296138246
Energy: 0.47279353404836405
Energy: 0.49987286736131525
Energy: 0.47349150340815643
Energy: 0.48359059009566774
Energy: 0.4800850232093029
Energy: 0.479282951884469
Energy: 0.4814950548301131
Energy: 0.5026105259477796
Energy: 0.47330880902215416
Energy: 0.5012358952218148
Energy: 0.4897378477464983
Energy: 0.4791694482900233
Energy: 0.47781041899218796
Energy: 0.5009853827433903
Energy: 0.4719348389424345
Energy: 0.5255897052676789
Energy: 0.522048744577032
Energy: 0.4794173420810682
Energy: 0.6286904473768644
Energy: 0.5035606157901816
Energy: 0.5059366702449318
Energy: 0.6560193885565919
Energy: 0.6488680372463365
Energy: 0.4799402864107168
Energy: 0.6685183835543423
Energy: 0.5116387324887712
Energy: 0.5056325030431866
Energy: 0.48873445326813875
Energy: 0.4903670856509591
Energy: 0.47257835519081925
Energy: 0.4734740755365633
Energy: 0.48195489305910705
Energy: 0.4819161567683779
Energy: 0.5443605143841759
Energy: 0.544525465191854
Energy: 0.4950869677784826
Energy: 0.5442783709203478
Energy: 0.5671949515900463
Energy: 0.5054786057473255
Energy: 0.49333186357753944
Energy: 0.5100204262231105
Energy: 0.49055514406890577
Energy: 0.46911929652755097
Energy: 0.5176233557401556
Energy: 0.801330485884895
Energy: 0.51522858129029
Energy: 0.5408612064857455
Energy: 0.6981725049844447
Energy: 0.5146325739440455
Energy: 0.5306101114906963
Energy: 0.8580818162735352
Energy: 0.5105955029936621
Energy: 0.5382763488625593
Energy: 0.5131125679518039
Energy: 0.5170661601268693
Energy: 0.5364328085266421
Energy: 0.570286809176881
Energy: 0.48183849728546774
Energy: 0.5109601046211698
Energy: 0.5386876101332055
Energy: 0.4622835952704512
Energy: 0.5128233342024715
Energy: 0.6656888485228099
Energy: 0.6114219141774886
Energy: 0.5578781559985743
Energy: 0.6674375511147904
Energy: 0.6462025254616095
Energy: 0.5102499883331291
Energy: 0.5654300510291471
Energy: 0.5410203392417131
Energy: 0.5382648740486365
Energy: 0.5132894306523099
Energy: 0.5428272663874757
Energy: 0.5399840454483082
Energy: 0.8271205888991404
Energy: 0.7160913476344642
Energy: 0.7142371499030272
Energy: 0.8281417020376628
Energy: 0.715768170191053
Energy: 0.6358702624432312
Energy: 0.8358044801045309
Energy: 0.547216730662029
Energy: 0.5404335932386918
Energy: 0.4895716864702062
Energy: 0.5278943504059423
Energy: 0.5381230048515437
Energy: 0.6587990798613499
Energy: 0.6474023859949499
Energy: 0.7452154326291911
Energy: 0.6500359543430047
Energy: 0.7378722123621329
Energy: 0.7451895649124585
Energy: 0.8470556407790788
Energy: 0.534079881213613
Energy: 0.5403360240736848
Energy: 0.4865855164555528
Energy: 0.5065801378391007
Energy: 0.541534817520143
Energy: 0.6891544999693852
Energy: 0.512938869603375
Energy: 0.5239944908422607
Energy: 0.4934314210771819
Energy: 0.47355278514217525
Energy: 0.5310499305076829
Energy: 0.570397524554968
Energy: 0.6796489723130571
Energy: 0.6810906963417639
Energy: 0.5746598121741546
Energy: 0.6854700515579003
Energy: 0.6810960635527172
Energy: 0.687448449611935
Energy: 0.5313302695519636
Energy: 0.5301988915756618
Energy: 0.4865725689916557
Energy: 0.5419204871193537
Energy: 0.517781359459088
Energy: 0.5791746794072313
Energy: 0.7383894188737701
Energy: 0.736701169666602
Energy: 0.6184244958824913
Energy: 0.7575286284354179
Energy: 0.5660683119460924
Energy: 0.46873241701838836
Energy: 0.5230538929365404
Energy: 0.5206862169168605
Energy: 0.4691192664690879
Energy: 0.5095387029423428
Energy: 0.5134311543404295
Energy: 0.5430068889291696
Energy: 0.5921570910739503
Energy: 0.5427461922969953
Energy: 0.5439108796676136
Energy: 0.5730450227419518
Energy: 0.5426799379353014
Energy: 0.5350327055065951
Energy: 0.4807945343106683
Energy: 0.5019460320387429
Energy: 0.535470750022056
Energy: 0.47873920436363326
Energy: 0.49962124059561086
Energy: 0.8823927974067366
Energy: 0.4841659930361457
Energy: 0.5183503064705169
Energy: 0.6417719883979318
Energy: 0.48008796439067275
Energy: 0.52849243501058

minimum gb energy = 0.4622835952704512 eV
minimum distance =  2.73333425606314 Angstroms
sigma value = 41


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

Energy: 0.8480328264448904
Energy: 0.989120882146911
Energy: 0.9890275149958826
Energy: 0.7337204587314017
Energy: 0.6625235859535856
Energy: 0.7338327438271244
Energy: 0.5325996294459204
Energy: 0.5453906229265276
Energy: 0.5302879103583934
Energy: 0.5227070363549975
Energy: 0.5203813935208613
Energy: 0.5395873205446962
Energy: 0.5218375461422158
Energy: 0.5308109922100058
Energy: 0.5341683888657681
Energy: 0.5302231727194585
Energy: 0.53021792120558
Energy: 0.532257464716355
Energy: 0.5217286182425934
Energy: 0.5348589225307054
Energy: 0.5380732608990161
Energy: 0.5312980853084707
Energy: 0.5311808510303077
Energy: 0.528636607651417
Energy: 0.5181832981609082
Energy: 0.5268914065856738
Energy: 0.5267466791852684
Energy: 0.5312000371476379
Energy: 0.6924461191923483
Energy: 0.5435915179411832
Energy: 0.5726714379562434
Energy: 0.6232514820336089
Energy: 0.6166957065247282
Energy: 0.5288941362065805
Energy: 0.6149160323394143
Energy: 0.6172394519497506
Energy: 0.5759106517468855
Energy: 0.531488548441883
Energy: 0.5302952105725096
Energy: 0.5210036577559115
Energy: 0.5301672936818927
Energy: 0.5297852095104902
Energy: 0.5346820809685804
Energy: 0.6373668320230835
Energy: 0.6379875117290293
Energy: 0.5495188069400189
Energy: 0.6374709763429361
Energy: 0.5042786154642236
Energy: 0.5742592261258216
Energy: 0.5300045323313323
Energy: 0.533655963890626
Energy: 0.5472799114616732
Energy: 0.5339036256678931
Energy: 0.5369988402019583
Energy: 0.6718601551198091
Energy: 0.6359192928277395
Energy: 0.6385012508879597
Energy: 0.6141590780575161
Energy: 0.6359445880286516
Energy: 0.5367504595602606
Energy: 0.6721209167293343
Energy: 0.5400265675470598
Energy: 0.5389869417544626
Energy: 0.6142479792654706
Energy: 0.531583405360643
Energy: 0.5343799716395251
Energy: 0.8418005228318983
Energy: 0.5022452631710872
Energy: 0.503706405437113
Energy: 0.6390441986095792
Energy: 0.49944047519776497
Energy: 0.5391592128694657
Energy: 0.6358219830096326
Energy: 0.5039087922161204
Energy: 0.646201405759595
Energy: 0.6471307010325354
Energy: 0.7341792629373698
Energy: 0.645994316527346
Energy: 0.515095748561915
Energy: 0.5370124333777194
Energy: 0.5375137137943877
Energy: 0.5179663955602257
Energy: 0.5322968164830277
Energy: 0.5339559537967963
Energy: 0.6286889297602061
Energy: 0.6245174445320917
Energy: 0.662446515491865
Energy: 0.6290808359970551
Energy: 0.6177291073650371
Energy: 0.6312313710192252
Energy: 0.5199967346140039
Energy: 0.5338328093684298
Energy: 0.5297942532481563
Energy: 0.5334377065793654
Energy: 0.5215130648951724
Energy: 0.5302306994209427
Energy: 0.8095845442861834
Energy: 0.5167403338180683
Energy: 0.498344048275931
Energy: 0.724508843957358
Energy: 0.5172653337792735
Energy: 0.730174755505775
Energy: 0.5290052708177431
Energy: 0.5347793511868516
Energy: 0.5421564026232112
Energy: 0.5054594977485118
Energy: 0.5190000376327206
Energy: 0.5067864174045261
Energy: 0.5213083566283689
Energy: 0.5327614882178254
Energy: 0.5309825559759954
Energy: 0.5306456398367911
Energy: 0.5319993337154014
Energy: 0.5293944449337862
Energy: 0.52166888339555
Energy: 0.5314163624817352
Energy: 0.5280042562448574
Energy: 0.5318562782127968
Energy: 0.5317672175877697
Energy: 0.5310363268927398
Energy: 0.5205082327378766
Energy: 0.5298475937953975
Energy: 0.5446305046152184
Energy: 0.5199042511774663
Energy: 0.5315518083014662
Energy: 0.5315544164792058
Energy: 0.9337839544419422
Energy: 0.6161276325737011
Energy: 0.612956247948122
Energy: 0.8712735752175593
Energy: 0.6130834127068632
Energy: 0.6131553546350297
Energy: 0.5746083723329589
Energy: 0.5294662159034753
Energy: 0.5303043818530468
Energy: 0.5325313920238719
Energy: 0.5326059366750164
Energy: 0.5305653639098763
Energy: 0.5339302413086799
Energy: 0.6220259191650669
Energy: 0.6256443211730401
Energy: 0.5502335440668247
Energy: 0.6226447387791314
Energy: 0.5047564140456688
Energy: 0.5756090194536376
Energy: 0.5302678326156884
Energy: 0.529464845545931
Energy: 0.54032029759258
Energy: 0.5331328142052209
Energy: 0.5372979654941693
Energy: 0.7332065967367278
Energy: 0.533946681346649
Energy: 0.5382960964408994
Energy: 0.6142285669198665
Energy: 0.5279015354203149
Energy: 0.5352081219233892
Energy: 0.6714640573257474
Energy: 0.6371293585458285
Energy: 0.5352273211405784
Energy: 0.6140864480590439
Energy: 0.6485398476805755
Energy: 0.5413381373624153
Energy: 0.7336782410977032
Energy: 0.5037779569938532
Energy: 0.5346030530586033
Energy: 0.5288563786157259
Energy: 0.5110594213609363
Energy: 0.538220900459354
Energy: 0.6281666890850501
Energy: 0.7392152059813105
Energy: 0.7390602445873403
Energy: 0.6348181911977949
Energy: 0.7328298401945136
Energy: 0.7390325514029852
Energy: 0.5155924558350442
Energy: 0.5372753132755227
Energy: 0.536870149123042
Energy: 0.5180987131743073
Energy: 0.5312962025203525
Energy: 0.5339892232175082
Energy: 0.6362566701641099
Energy: 0.6262115754044708
Energy: 0.6299945355572325
Energy: 0.6360081144181237
Energy: 0.6500356680261148
Energy: 0.6281339726451919
Energy: 0.5201673490312166
Energy: 0.5355695918986314
Energy: 0.5336168034462488
Energy: 0.529774169617557
Energy: 0.5301612896881186
Energy: 0.5295493681313074
Energy: 0.8713593414236249
Energy: 0.5206510714626887
Energy: 0.505567275280051
Energy: 0.7246478183211755
Energy: 0.5218438086799493
Energy: 0.5049725351861233

minimum gb energy = 0.498344048275931 eV
minimum distance =  2.75897195252056 Angstroms
sigma value = 33


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

Energy: 0.7050787900114748
Energy: 0.8919006424703381
Energy: 0.8917066578675752
Energy: 0.5520780044197551
Energy: 0.5834294242055684
Energy: 0.8921162150120339
Energy: 0.5930308285130811
Energy: 0.5644493018772216
Energy: 0.5785438972214401
Energy: 0.5468367314433065
Energy: 0.5733676481234709
Energy: 0.5863127874934723
Energy: 0.5740884457048873
Energy: 0.5705914033101639
Energy: 0.5680630661440604
Energy: 0.5751273319337743
Energy: 0.5741977882792181
Energy: 0.5657076524465128
Energy: 0.5739466529851261
Energy: 0.5764251618590452
Energy: 0.569625114557976
Energy: 0.5757293947986156
Energy: 0.57845201059852
Energy: 0.56763918181254
Energy: 0.5727441982476507
Energy: 0.5449444607438484
Energy: 0.5598086359308316
Energy: 0.5725158950465097
Energy: 0.5476415303354841
Energy: 0.5685575410658321
Energy: 0.7408209881941101
Energy: 0.5471724948867558
Energy: 0.5501114037306212
Energy: 0.5724383238346736
Energy: 0.5485692333038859
Energy: 0.550786724180956
Energy: 0.5969050373880119
Energy: 0.5515247224723249
Energy: 0.5518900901222421
Energy: 0.5727385914160638
Energy: 0.552782916918819
Energy: 0.5660377776891401
Energy: 0.5957014188236065
Energy: 0.7525309475226157
Energy: 0.5480583038022893
Energy: 0.5502825240106103
Energy: 0.7685686030114419
Energy: 0.5480398705737152
Energy: 0.5962147464689247
Energy: 0.5479387579351951
Energy: 0.5551364150895881
Energy: 0.5800192902595511
Energy: 0.5474768567432076
Energy: 0.5580625444552109
Energy: 0.8082708626286433
Energy: 0.5490709013043208
Energy: 0.5493942448244314
Energy: 0.5591341260991732
Energy: 0.5482661842824124
Energy: 0.5540795000888524
Energy: 0.5968563274365329
Energy: 0.5765652672735684
Energy: 0.5738997726888796
Energy: 0.5810115545454895
Energy: 0.5808286292527449
Energy: 0.5661554785212441
Energy: 0.7336346551901044
Energy: 0.5468447505509925
Energy: 0.549122612216648
Energy: 0.5717779260695043
Energy: 0.5500902485695301
Energy: 0.5668239061711031
Energy: 0.5736522983268731
Energy: 0.5490129129567614
Energy: 0.5520197931774301
Energy: 0.5732717255869164
Energy: 0.5513651383083429
Energy: 0.5526781554177711
Energy: 0.5726819802322888
Energy: 0.5725117287130348
Energy: 0.5701130090253042
Energy: 0.573599427049182
Energy: 0.5830272980301267
Energy: 0.5654322170332016
Energy: 0.569491226900002
Energy: 0.5680057517014879
Energy: 0.5673974474511744
Energy: 0.5909432000416884
Energy: 0.5698931443417984
Energy: 0.5637908375323222
Energy: 0.5706483846879951
Energy: 0.5782770789002478
Energy: 0.5658527287407406
Energy: 0.5805796883219053
Energy: 0.5738584596037584
Energy: 0.5661479295147931
Energy: 0.7883688900080028
Energy: 0.5738122532070123
Energy: 0.5463543905799316
Energy: 0.5487026760608562
Energy: 0.5736098492724192
Energy: 0.5432853006380002
Energy: 0.5933282676853039
Energy: 0.5986159373554627
Energy: 0.5535524515985379
Energy: 0.5535451447949867
Energy: 0.5721267590125277
Energy: 0.5594885522817054
Energy: 0.5742954876198066
Energy: 0.5500281587712232
Energy: 0.548194038124849
Energy: 0.5744982147446349
Energy: 0.5524170483946905
Energy: 0.5690581013641784
Energy: 0.5499556178069871
Energy: 0.5499998527847558
Energy: 0.5473743087214753
Energy: 0.5498180333610321
Energy: 0.5523444999553814
Energy: 0.5530548201088259
Energy: 0.5470735215077001
Energy: 0.5753393286587148
Energy: 0.5576470611792246
Energy: 0.5478590364608323
Energy: 0.5794382973473922
Energy: 0.5563383599059629
Energy: 0.7207478166478528
Energy: 0.5532261516136339
Energy: 0.7262277192999244
Energy: 0.7205913733436563
Energy: 0.5593084786818207
Energy: 0.5541008458692568
Energy: 0.57185735027577
Energy: 0.5680691468255786
Energy: 0.5659436036504902
Energy: 0.5521011133028991
Energy: 0.5739511191643668
Energy: 0.5519852480728797
Energy: 0.599403583638379
Energy: 0.5732201400069609
Energy: 0.7213890079443751
Energy: 0.5578734094542336
Energy: 0.7422147799606315
Energy: 0.8883978499889136
Energy: 0.5941768173001477
Energy: 0.5772065478286974
Energy: 0.5790628622165199
Energy: 0.5432075845366637
Energy: 0.5739381001508668
Energy: 0.5905590811717878
Energy: 0.5740682888259424
Energy: 0.5716544464252347
Energy: 0.568219177727667
Energy: 0.5755822498255887
Energy: 0.5748935594777055
Energy: 0.5656217911274664
Energy: 0.5741247840538366
Energy: 0.5673630015320297
Energy: 0.5661927468890019
Energy: 0.5755121933645461
Energy: 0.5756112298139751
Energy: 0.5682419141431033
Energy: 0.5727634363067213
Energy: 0.5518426348554667
Energy: 0.5519034008624861
Energy: 0.5725826523795086
Energy: 0.5753757790255072
Energy: 0.5675437014023251
Energy: 0.7413728494607109
Energy: 0.5478001073505391
Energy: 0.5505143531664434
Energy: 0.5726900957939105
Energy: 0.5471835943639847
Energy: 0.5485854400012852
Energy: 0.595874366237092
Energy: 0.5518294963291933
Energy: 0.5515806805060582
Energy: 0.5718861535746318
Energy: 0.5525057264764013
Energy: 0.5655834062366026
Energy: 0.5960937043040363
Energy: 0.7249032489905665
Energy: 0.5544429033595001
Energy: 0.5502138229644102
Energy: 0.5494181343217482
Energy: 0.5509813845157252
Energy: 0.597905323236467
Energy: 0.5481972934489585
Energy: 0.5565480854069458
Energy: 0.577586666178491
Energy: 0.5489326421355568
Energy: 0.5590094864519518
Energy: 0.8095168288218978
Energy: 0.5535061500162711
Energy: 0.5533233499386537
Energy: 0.581244246363652
Energy: 0.5489743014049334
Energy: 0.5539856365890459
Energy: 0.8092331937973803
Energy: 0.5529739512322689
Energy: 0.5704268875428321
Energy: 0.5797668200752739
Energy: 0.5481086447952697
Energy: 0.5686494274106676
Energy: 0.5976666837395676
Energy: 0.5467489492083241
Energy: 0.54915875900723
Energy: 0.6046662696488107
Energy: 0.5453146559558665
Energy: 0.5587183957530168
Energy: 0.7455727111695422
Energy: 0.5530962888357227
Energy: 0.5482300301379897
Energy: 0.7455385141746704
Energy: 0.5464745044517904
Energy: 0.5474506427348074
Energy: 0.5709287897875299
Energy: 0.5732988047096133
Energy: 0.5718010449816788
Energy: 0.5719864583423775
Energy: 0.5837535277995385
Energy: 0.5656821703678333
Energy: 0.5846760078591617
Energy: 0.5688234802337765
Energy: 0.5647266620824724
Energy: 0.587103032373733
Energy: 0.5704140526890323
Energy: 0.5642070741926418
Energy: 0.5707370574803442
Energy: 0.5776693285372814
Energy: 0.5659521962790843
Energy: 0.5799963390169077
Energy: 0.5792483469698182
Energy: 0.5656053506209284
Energy: 0.7882653167438857
Energy: 0.5776153154184731
Energy: 0.5847682801677877
Energy: 0.5477733933539928
Energy: 0.5722191772076214
Energy: 0.5457202576120495
Energy: 0.5944341690584487
Energy: 0.5935254826798066
Energy: 0.5536106487495115
Energy: 0.5476339105384728
Energy: 0.5984978696734902
Energy: 0.5533458093055095
Energy: 0.5729130665549736
Energy: 0.5503560937139358
Energy: 0.5482096615188152
Energy: 0.5810791522069108
Energy: 0.5521637293151058
Energy: 0.5668702082111082
Energy: 0.5492962113509741
Energy: 0.5500233590932406
Energy: 0.5476001060709487
Energy: 0.5489405919203144
Energy: 0.5523792579929468
Energy: 0.5466823944946151
Energy: 0.5461884948057205
Energy: 0.5587055281519228
Energy: 0.5582869043921045
Energy: 0.5464571955706671
Energy: 0.5572986887356084
Energy: 0.5565282423439663
Energy: 0.725883708697589
Energy: 0.5532360911090528
Energy: 0.7262963129017578
Energy: 0.7259271846889481
Energy: 0.5593726953907721
Energy: 0.7272898609577333
Energy: 0.5714234286014743
Energy: 0.5830301212790859
Energy: 0.565958578571273
Energy: 0.5488611597106925
Energy: 0.5776183791787556
Energy: 0.5534315553799036
Energy: 1.0170918146454626
Energy: 0.5747289581742635
Energy: 0.5479016233283078
Energy: 0.5479259334368158
Energy: 0.7433183572760156
Energy: 0.55036194284589

minimum gb energy = 0.5432075845366637 eV
minimum distance =  2.73580968914998 Angstroms
sigma value = 67


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

Energy: 0.8115629230295541
Energy: 0.5788160210451885
Energy: 0.5786910158405746
Energy: 0.5794358066189085
Energy: 0.6417126929685549
Energy: 0.5789976681674068
Energy: 0.7304119910475072
Energy: 0.6158326629723703
Energy: 0.6143785486776652
Energy: 0.703029862155656
Energy: 0.6301730332355048
Energy: 0.6103049977698486
Energy: 0.6571950479797399
Energy: 0.5787984877700664
Energy: 0.6202693360676842
Energy: 0.6356725719169887
Energy: 0.5784580070381011
Energy: 0.6221584567448919
Energy: 0.6312107500604974
Energy: 0.6166650304620723
Energy: 0.6316491058983551
Energy: 0.6194848837223531
Energy: 0.6342743010341818
Energy: 0.6339374524691376
Energy: 0.6482120059040688
Energy: 0.6190752625671044
Energy: 0.6344567026610769
Energy: 0.64699792613897
Energy: 0.6193053041462262
Energy: 0.6366598430881525
Energy: 0.6409201628270857
Energy: 0.6040418106915796
Energy: 0.6275279556810128
Energy: 0.6409121871891789
Energy: 0.6025953603490458
Energy: 0.6321645062269203
Energy: 0.7305978761591414
Energy: 0.6181058640344171
Energy: 0.6166046900694385
Energy: 0.6445797933849836
Energy: 0.625218656062783
Energy: 0.6136867247636586

minimum gb energy = 0.5784580070381011 eV
minimum distance =  2.75012479126816 Angstroms
sigma value = 3


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

Energy: 0.8532915958543636
Energy: 0.856685732409865
Energy: 0.7584775529159817
Energy: 0.7858425664498135
Energy: 0.8631964521976043
Energy: 0.7697806637536592
Energy: 0.6980849190886053
Energy: 0.6864494691300577
Energy: 0.6923072764142041
Energy: 0.7098825989280068
Energy: 0.7045865702053286
Energy: 0.6889034597999955
Energy: 0.7341626716025034
Energy: 0.7101617832614198
Energy: 0.7165623867044482
Energy: 0.7325632002883613
Energy: 0.7081434949548956
Energy: 0.7243339494004003
Energy: 0.6889556123780254
Energy: 0.6946069846955362
Energy: 0.6912628514397248
Energy: 0.6894301764677778
Energy: 0.7028370319872204
Energy: 0.6827053512351643
Energy: 0.6844442917879486
Energy: 0.6999052180179746
Energy: 0.6990959612600167
Energy: 0.685432798947311
Energy: 0.6985168677495454
Energy: 0.7013255036132626
Energy: 0.7218626120896633
Energy: 0.7053394538998874
Energy: 0.7091744786916349
Energy: 0.706409066740505
Energy: 0.7051602169687325
Energy: 0.7039045679265454
Energy: 0.6724196948295088
Energy: 0.6935711173630329
Energy: 0.6957206834184958
Energy: 0.7216627961831306
Energy: 0.7128526401612691
Energy: 0.7042256653562783
Energy: 0.9449246719877755
Energy: 0.7821728996563782
Energy: 0.7896481222124968
Energy: 0.7405373780303844
Energy: 0.8920565349317017
Energy: 0.7448513754992129
Energy: 0.7399548899704536
Energy: 0.6938942153396667
Energy: 0.6951431874669131
Energy: 0.7475395241427943
Energy: 0.7120880902917947
Energy: 0.7087770233840813
Energy: 0.8419149578539535
Energy: 0.7217668394748178
Energy: 0.7214572945577286
Energy: 0.7794335229958088
Energy: 0.6919768563510513
Energy: 0.7055307949150063
Energy: 0.7475476090461546
Energy: 0.693757401456257
Energy: 0.7059986896867131
Energy: 0.7433220048998559
Energy: 0.7086607326454439
Energy: 0.6980876673437463
Energy: 0.7364243298143982
Energy: 0.7045715793076428
Energy: 0.6944275467767617
Energy: 0.7019947828995813
Energy: 0.7031865276984912
Energy: 0.6962312540956722
Energy: 0.6882313238593745
Energy: 0.697051744141548
Energy: 0.6979894332915415
Energy: 0.6954968659292415
Energy: 0.6972325790100246
Energy: 0.700311736166757
Energy: 0.7206189635031932
Energy: 0.6721141503217901
Energy: 0.6823632883666753
Energy: 0.7073174927393787
Energy: 0.6864939933784496
Energy: 0.6823283657335745
Energy: 0.858780998871865
Energy: 0.7428466330599608
Energy: 0.7520354487622865
Energy: 0.7071409238424236
Energy: 0.7439464197499402
Energy: 0.7295420540688644
Energy: 0.8037842795194985
Energy: 0.6770714812635452
Energy: 0.6850068480932361
Energy: 0.7522395021076865
Energy: 0.7010202935309715
Energy: 0.6795191897590609
Energy: 0.8535991999003859
Energy: 0.7364095024351284
Energy: 0.7660657482845744
Energy: 0.8546323479636552
Energy: 0.6866104023057085
Energy: 0.7930875018264919
Energy: 0.7255103416014651
Energy: 0.7027653354626922
Energy: 0.6935993062441425
Energy: 0.7040239895198304
Energy: 0.7376663402037522
Energy: 0.6946975150309209
Energy: 0.7055502939578491
Energy: 0.7342345451715322
Energy: 0.6856903172180221
Energy: 0.687031543955904
Energy: 0.7212695197073165
Energy: 0.680207898443691
Energy: 0.7490042588102686
Energy: 0.6973376339152049
Energy: 0.6819870302373932
Energy: 0.6885866275286934
Energy: 0.6965192683018897
Energy: 0.6890401232305677
Energy: 0.7165840937874617
Energy: 0.6924980199356834
Energy: 0.6949119128940355
Energy: 0.6937692470685538
Energy: 0.6842800741184106
Energy: 0.6939722696550786
Energy: 0.7511262582784285
Energy: 0.7042610625526903
Energy: 0.6977637415101224
Energy: 0.6964855294135304
Energy: 0.7122815112204824
Energy: 0.6976826516444867
Energy: 0.7085059271338592
Energy: 0.6908364823360374
Energy: 0.6901319805114496
Energy: 0.7097597606149472
Energy: 0.7015913530981275
Energy: 0.6942219919861417
Energy: 0.6915855786037709
Energy: 0.7341828297833138
Energy: 0.7349233616527708
Energy: 0.7068138964469826
Energy: 0.6763496176492022
Energy: 0.7171541213442943
Energy: 0.7062970273750447
Energy: 0.6918978484079313
Energy: 0.7079237706534168
Energy: 0.7108446962937933
Energy: 0.7031795132126112
Energy: 0.7068737747664992
Energy: 0.7793388518758092
Energy: 0.6739728056015396
Energy: 0.6848347560769492
Energy: 0.676166472042326
Energy: 0.6805725809461707
Energy: 0.7026063986538491
Energy: 0.662043167508271
Energy: 0.6799211170065748
Energy: 0.6814967958901105
Energy: 0.6868669676515436
Energy: 0.6753211894580979
Energy: 0.7084472519749283
Energy: 0.7078369875332556
Energy: 0.7033445459355528
Energy: 0.7031507391702815
Energy: 0.7080796778984247
Energy: 0.705420956103957
Energy: 0.7069657167985968
Energy: 0.7210620946914944
Energy: 0.7163236579960158
Energy: 0.7240604024970895
Energy: 0.7136624270401017
Energy: 0.7092259179989288
Energy: 0.7174469823202234
Energy: 0.6859469787317547
Energy: 0.7003119113512694
Energy: 0.6860155481532048
Energy: 0.6891802559095535
Energy: 0.6847344768042463
Energy: 0.6841065442229944
Energy: 0.7367168211812875
Energy: 0.7162342383451102
Energy: 0.7150316135038658
Energy: 0.7138240678546317
Energy: 0.725952389086239
Energy: 0.7161786746277083
Energy: 0.7036484386379973
Energy: 0.7114244027292005
Energy: 0.7048779686690287
Energy: 0.6995062021964473
Energy: 0.6972868931203914
Energy: 0.7034573698760019
Energy: 0.7913571991311246
Energy: 0.7307032490652399
Energy: 0.6932234114242121
Energy: 0.698412236452159
Energy: 0.7210279658118199
Energy: 0.699952665261578
Energy: 0.6777296086684722
Energy: 0.6924168027891513
Energy: 0.6938384938663121
Energy: 0.6835551092105221
Energy: 0.7009335817745006
Energy: 0.6941125958919052
Energy: 0.7257722907075124
Energy: 0.7026842294583524
Energy: 0.7041359936406347
Energy: 0.7131635767295111
Energy: 0.7066934709323162
Energy: 0.7030217160419773
Energy: 0.7235726139300465
Energy: 0.6997290590030458
Energy: 0.7361677379675405
Energy: 0.755340735630029
Energy: 0.6918985930871495
Energy: 0.704932344804542
Energy: 0.7486304724818813
Energy: 0.6905355535500537
Energy: 0.6916421801883
Energy: 0.7504208881277349
Energy: 0.6930615286198595
Energy: 0.6930152921547662
Energy: 0.8033846599189066
Energy: 0.7052607636736024
Energy: 0.7085726397567886
Energy: 0.6966595218441822
Energy: 0.7050592932506006
Energy: 0.7111321913755028
Energy: 0.7212037737580557
Energy: 0.6754222062947574
Energy: 0.6701523813449344
Energy: 0.7062541665451092
Energy: 0.6728584141576732
Energy: 0.6926120003759337
Energy: 0.7048108932116145
Energy: 0.7100032362471788
Energy: 0.7124417435969908
Energy: 0.7143046124140121
Energy: 0.7087543395339367
Energy: 0.6887839053461905
Energy: 0.7411659007774315
Energy: 0.6981940581861094
Energy: 0.6841052793778226
Energy: 0.7029713839048566
Energy: 0.7420415209103299
Energy: 0.6868257088951631
Energy: 0.7525646320831254
Energy: 0.7006516721013473
Energy: 0.6927263621750492
Energy: 0.7398800743655889
Energy: 0.6830819906956128
Energy: 0.687444274293968
Energy: 0.839939450414667
Energy: 0.6989736895906122
Energy: 0.7145477323923969
Energy: 0.8292054714837213
Energy: 0.6985255362776117
Energy: 0.690200793137271
Energy: 0.8105997283060602
Energy: 0.6856076451381933
Energy: 0.687221344193739
Energy: 0.8033857371359142
Energy: 0.7071751189554746
Energy: 0.6878145423015352
Energy: 0.7892990515186271
Energy: 0.7371824815558914
Energy: 0.7659844457002357
Energy: 0.7342694867695122
Energy: 0.7364460637943432
Energy: 0.7658544004913136
Energy: 0.7023231364512639
Energy: 0.68726853398025
Energy: 0.6897116637484163
Energy: 0.6901427486629527
Energy: 0.70721758548247
Energy: 0.6839440371283018
Energy: 0.7511481162305365
Energy: 0.688863865686259
Energy: 0.6890613403695515
Energy: 0.6931715783805569
Energy: 0.690693922299501
Energy: 0.6898333240915627
Energy: 0.7066700324842494
Energy: 0.6896808975806595
Energy: 0.6902966096114546
Energy: 0.6959169455738895
Energy: 0.6867903203307629
Energy: 0.6884861475317261
Energy: 0.707710297901031
Energy: 0.6829081013182078
Energy: 0.6889193955985011
Energy: 0.7084158782304382
Energy: 0.6763964128116358
Energy: 0.6985843890817461
Energy: 0.7373990344327437
Energy: 0.6802659419912037
Energy: 0.7010104290191116
Energy: 0.7352268839213528
Energy: 0.6835242075587706
Energy: 0.6987442781873073
Energy: 0.6897199039076077
Energy: 0.6860775986251824
Energy: 0.6918011701730221
Energy: 0.7408794018567922
Energy: 0.7390425188161109
Energy: 0.6840621827603458

minimum gb energy = 0.662043167508271 eV
minimum distance =  2.72201893521827 Angstroms
sigma value = 81


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

Energy: 1.1241302554261385
Energy: 0.8020899423918664
Energy: 0.8027428301972789
Energy: 0.8071639403085337
Energy: 0.7862960890177421
Energy: 0.8045197338169371
Energy: 0.6565674570731274
Energy: 0.6759508735228996
Energy: 0.675614318889286
Energy: 0.694638876280674
Energy: 0.6770612442522075
Energy: 0.6780227094403941
Energy: 0.7621181927031698
Energy: 0.6692098359199239
Energy: 0.6681593967481267
Energy: 0.7368664223240263
Energy: 0.6693682651733811
Energy: 0.6877366294914817
Energy: 0.6916996777456426
Energy: 0.6678448171063849
Energy: 0.689387804515017
Energy: 0.691776406101771
Energy: 0.6680264452753809
Energy: 0.6893631977984387
Energy: 0.6998611917245464
Energy: 0.6800221328806475
Energy: 0.6790177752162614
Energy: 0.6916911276054596
Energy: 0.6876011406952792
Energy: 0.6783555359203097
Energy: 0.7512969085784411
Energy: 0.6828194881790467
Energy: 0.6830129466215231
Energy: 0.7304423056907969
Energy: 0.6843834648576687
Energy: 0.6879710107617536
Energy: 0.7090603702158227
Energy: 0.6694829999430554
Energy: 0.6705569114547396
Energy: 0.7002534069668784
Energy: 0.6727526082890357
Energy: 0.6801784067934875
Energy: 0.7066212451685459
Energy: 0.7611287078772044
Energy: 0.7640734295195384
Energy: 0.6813633968780958
Energy: 0.83030552421226
Energy: 0.7233131355362643
Energy: 0.8367009947482801
Energy: 0.688043226890643
Energy: 0.6780606349092096
Energy: 0.7032599223100904
Energy: 0.6900675624553387
Energy: 0.7101336061793516
Energy: 0.7517216129205635
Energy: 0.6608009893025172
Energy: 0.6607021548877514
Energy: 0.7458178176691317
Energy: 0.6608867522139565
Energy: 0.7068917076120539
Energy: 0.6960032323109088
Energy: 0.6468813595188456
Energy: 0.6326798576612052
Energy: 0.6899013254245691
Energy: 0.6519442152744698
Energy: 0.6629252223837029
Energy: 0.6737374671966592
Energy: 0.678089932624512
Energy: 0.6820450360553112
Energy: 0.6769748632702535
Energy: 0.6781177560113172
Energy: 0.6832481001496795
Energy: 0.7359891135770817
Energy: 0.691116054670939
Energy: 0.6827918912651727
Energy: 0.6693470350420365
Energy: 0.690709124062589
Energy: 0.6690785351707339
Energy: 0.6878582606593956
Energy: 0.6800258214899118
Energy: 0.6848017262635344
Energy: 0.7023544465147123
Energy: 0.6975931168229271
Energy: 0.6925772749635408
Energy: 0.6886562943599158
Energy: 0.7579359929192035
Energy: 0.7606532884862768
Energy: 0.687149572264042
Energy: 0.7559671736185622
Energy: 0.6887540778525041
Energy: 0.6876850911313674
Energy: 0.7004839916769141
Energy: 0.7081478154690415
Energy: 0.6883086238497333
Energy: 0.6987711708581972
Energy: 0.7087020669116059
Energy: 0.760140907772919
Energy: 0.7235800006406591
Energy: 0.7240367866145274
Energy: 0.7603198267886129
Energy: 0.7220263174408476
Energy: 0.7242736557397397
Energy: 0.6609675051642082
Energy: 0.6884673186345667
Energy: 0.7005639989197666
Energy: 0.7077343058561757
Energy: 0.6927066326693637
Energy: 0.7033042723949152
Energy: 0.6312646512620635
Energy: 0.6946756347042953
Energy: 0.6605839502958881
Energy: 0.634924006179993
Energy: 0.7249473404945499
Energy: 0.659592973916089
Energy: 0.6312765498323106
Energy: 0.694693746726696
Energy: 0.6602482570848051
Energy: 0.6558123004816718
Energy: 0.7050403783686318
Energy: 0.6475925165324355
Energy: 0.661051380510279
Energy: 0.6859206618570639
Energy: 0.700072305248854
Energy: 0.702619823778336
Energy: 0.6792568262717944
Energy: 0.7009108252066985
Energy: 0.7127757838281759
Energy: 0.6682196009061305
Energy: 0.6668556438567113
Energy: 0.6901182034528822
Energy: 0.6698302453272504
Energy: 0.6689992813402782
Energy: 0.6983134294393043
Energy: 0.691394676637776
Energy: 0.6920214605207702
Energy: 0.6994941267622892
Energy: 0.6935917300599069
Energy: 0.6810934331027981
Energy: 0.6999939337634601
Energy: 0.7059650181983544
Energy: 0.6999968764577074
Energy: 0.7042945091372286
Energy: 0.6956581342323169
Energy: 0.7032006076382882
Energy: 0.7328279104927177
Energy: 0.6907632427850816
Energy: 0.6934982576257722
Energy: 0.6889285759065333
Energy: 0.6975254806534841
Energy: 0.6925797974920717
Energy: 0.8485324553203623
Energy: 0.6803356198997966
Energy: 0.6822805330213436
Energy: 0.6689782841262915
Energy: 0.6885789918263825
Energy: 0.6815977495188011
Energy: 0.6823732811402301
Energy: 0.6833468595155838
Energy: 0.6864444555343542
Energy: 0.6700568251412352
Energy: 0.6782296113567289
Energy: 0.6823701389933903
Energy: 0.7061654392193413
Energy: 0.6468814748033749
Energy: 0.662812193447751
Energy: 0.6715754204184932
Energy: 0.633543960450201
Energy: 0.6654742924080751
Energy: 0.7493287988252478
Energy: 0.6608506319358076
Energy: 0.7092403739039129
Energy: 0.685464676207691
Energy: 0.6608999473593599
Energy: 0.7515122029576776
Energy: 0.7222617669167264
Energy: 0.6765417897602456
Energy: 0.6785021155431543
Energy: 0.7018469571343857
Energy: 0.6883308208338067
Energy: 0.6707689368525604
Energy: 0.736832036542171
Energy: 0.6820458179666239
Energy: 0.6889970130336799
Energy: 0.6700408889139666
Energy: 0.6988082178951481
Energy: 0.6685712812082281
Energy: 0.7001627707429711
Energy: 0.6660118023966309
Energy: 0.6747720706503337
Energy: 0.6928707607486123
Energy: 0.6659914572123313
Energy: 0.6738561344578649
Energy: 0.7053211946023107
Energy: 0.6854888193560416
Energy: 0.6854390596751601
Energy: 0.6942459661885084
Energy: 0.6875441520383971
Energy: 0.6876404762512315
Energy: 0.688810044394728
Energy: 0.6951107910748702
Energy: 0.6767327066053516
Energy: 0.681639987479683
Energy: 0.6949465154481027
Energy: 0.6779954585178406
Energy: 0.6946383662488552
Energy: 0.6924639208427477
Energy: 0.6822585003532335
Energy: 0.6945513290798199
Energy: 0.6656946708828416
Energy: 0.6902872791217513
Energy: 0.8013411255086845
Energy: 0.7261023588774583
Energy: 0.7259433623210568
Energy: 0.8009389853925662
Energy: 0.6834113308551665
Energy: 0.7296913015258406
Energy: 0.7344307687301803
Energy: 0.6892740092380284
Energy: 0.6745241495552867
Energy: 0.6950444968621919
Energy: 0.6915111644403279
Energy: 0.6799781842651418
Energy: 0.8219932456081771
Energy: 0.7684608889512092
Energy: 0.7527637524386853
Energy: 0.6901992533720405
Energy: 0.7728729132858975
Energy: 0.7511629616017864

minimum gb energy = 0.6312646512620635 eV
minimum distance =  2.72642582499438 Angstroms
sigma value = 43


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

Energy: 0.849206398063672
Energy: 0.7852707886912242
Energy: 0.7817470050158618
Energy: 0.7377492108737005
Energy: 0.835386786777967
Energy: 0.8052969046064484
Energy: 0.7956412524811945
Energy: 0.6925678791365405
Energy: 0.690372753471662
Energy: 0.7214220762788767
Energy: 0.6880894481153815
Energy: 0.7036793421810998
Energy: 0.6843052600653303
Energy: 0.6638106812503441
Energy: 0.6663698045868874
Energy: 0.7970693503202987
Energy: 0.6702640383360137
Energy: 0.7102364581937716
Energy: 0.6817046110284851
Energy: 0.6659595734080593
Energy: 0.6760514400507277
Energy: 0.6822483463158363
Energy: 0.6739153701269086
Energy: 0.6808878521469736
Energy: 0.6763780621943172
Energy: 0.675743667938178
Energy: 0.6735013264833384
Energy: 0.6763997870269273
Energy: 0.6783333659307166
Energy: 0.6744633341377168
Energy: 0.7353139071836374
Energy: 0.6783293077327839
Energy: 0.6792962830234061
Energy: 0.6829258281807981
Energy: 0.6785367870091056
Energy: 0.6808745815463524
Energy: 0.682824728361993
Energy: 0.6891421710402017
Energy: 0.6799711373133684
Energy: 0.6852440592695145
Energy: 0.6890791699265271
Energy: 0.6794057859067953
Energy: 0.7407811794332532
Energy: 0.6832650799585794
Energy: 0.6832679799035255
Energy: 0.6967884494280964
Energy: 0.6832504515167925
Energy: 0.7112370481198617
Energy: 0.6974408935411197
Energy: 0.6898858292103374
Energy: 0.6802344309868151
Energy: 0.6911463976754136
Energy: 0.6908839071640934
Energy: 0.6806009899033499
Energy: 0.8020438758996777
Energy: 0.6769855153998717
Energy: 0.7076452978670181
Energy: 0.6903758922276129
Energy: 0.6774875821285563
Energy: 0.7295015400189114
Energy: 0.6561053545332035
Energy: 0.7084916160991706
Energy: 0.6860243589149838
Energy: 0.6911457211577409
Energy: 0.6806409111117127
Energy: 0.6905259475021636
Energy: 0.7270621482806915
Energy: 0.6932906751248687
Energy: 0.6840230581002273
Energy: 0.6573824786101029
Energy: 0.7237404050364847
Energy: 0.6841410877808207
Energy: 0.7237875070578792
Energy: 0.7118239556462821
Energy: 0.6927085729844619
Energy: 0.6635203973692032
Energy: 0.71167341766463
Energy: 0.6934559887410633
Energy: 0.6555895174545083
Energy: 0.676924118146493
Energy: 0.666653604399723
Energy: 0.6935975723357246
Energy: 0.6881324705368679
Energy: 0.6664715461128928
Energy: 0.6603962490512467
Energy: 0.7001268121118505
Energy: 0.69481655111371
Energy: 0.6942093232281868
Energy: 0.6780951292959674
Energy: 0.696217394977501
Energy: 0.6619044887493454
Energy: 0.6666954077819761
Energy: 0.65948814768885
Energy: 0.6622425275664383
Energy: 0.7013621427726632
Energy: 0.6568082810390273
Energy: 0.6628623925091893
Energy: 0.6624488140725849
Energy: 0.6642612024751902
Energy: 0.6670545469440299
Energy: 0.7006079227851335
Energy: 0.6620396113901941
Energy: 0.6629150354792965
Energy: 0.6596972452818273
Energy: 0.6601309831017931
Energy: 0.7157210231243791
Energy: 0.6900164219360129
Energy: 0.6906029723711055
Energy: 0.7570611898856424
Energy: 0.7212299855000213
Energy: 0.6903886131386175
Energy: 0.7067690591512367
Energy: 0.7199934682851417
Energy: 0.7087711844648729
Energy: 0.7757073104795951
Energy: 0.7209587487326987
Energy: 0.6911128158467911
Energy: 0.6931053255554159
Energy: 0.7204901523049095
Energy: 0.6787103917926745
Energy: 0.7337317287970503
Energy: 0.6602907517474338
Energy: 0.7302266433468029
Energy: 0.6907596981123912
Energy: 0.71360476543849
Energy: 0.6907139503215962
Energy: 0.7520901119672965
Energy: 0.6921341768156035
Energy: 0.7045609299269575
Energy: 0.7526017122353982
Energy: 0.7461759055043725
Energy: 0.7642113466471593
Energy: 0.7344792518341426
Energy: 0.6591455623862588
Energy: 0.659959609621539
Energy: 0.6898597506660368
Energy: 0.7206926420256253
Energy: 0.6594612712317087
Energy: 0.7485423114470077
Energy: 0.7222747252098424
Energy: 0.725095356242093
Energy: 0.7067291079621644
Energy: 0.665620016072206
Energy: 0.69029949542406
Energy: 0.7246182401035205
Energy: 0.6602662554487584
Energy: 0.6641184396889944
Energy: 0.6857150985012471
Energy: 0.6603510734514442
Energy: 0.6644707726466522
Energy: 0.7262744670731226
Energy: 0.6653517567579975
Energy: 0.6670710582853371
Energy: 0.7019529318897882
Energy: 0.6554705720071471
Energy: 0.6709173446067652
Energy: 0.7255793696475175
Energy: 0.6891005067865253
Energy: 0.698400710782616
Energy: 0.6784169121571656
Energy: 0.6907716249932532
Energy: 0.7018390979674798
Energy: 0.7112122107849714
Energy: 0.6616151495328791
Energy: 0.6797309008256436
Energy: 0.6831367838064626
Energy: 0.6720269697216045
Energy: 0.6822610702103801
Energy: 0.8409399676911113
Energy: 0.7072513051595825
Energy: 0.7189760601848143
Energy: 0.8408465230283501
Energy: 0.6929874917386504
Energy: 0.7244049951753263
Energy: 0.7635839602304094
Energy: 0.686180400812953
Energy: 0.6675290144400474
Energy: 0.6810873052502863
Energy: 0.6888168616362798
Energy: 0.6799962767260035
Energy: 0.7301948716766995
Energy: 0.7363583362752024
Energy: 0.7488914010080486
Energy: 0.6937551745381271
Energy: 0.7283509121631369
Energy: 0.664956652666924

minimum gb energy = 0.6554705720071471 eV
minimum distance =  2.75356223375502 Angstroms
sigma value = 57


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

Energy: 0.7814242659233817
Energy: 0.6996667271039786
Energy: 0.6995092433186458
Energy: 0.6860385343902087
Energy: 0.7150612361930925
Energy: 0.6998696443483708
Energy: 0.605355281372145
Energy: 0.7094111898355256
Energy: 0.7040538178003377
Energy: 0.6758355162282211
Energy: 0.7094847712317339
Energy: 0.6443833798569731
Energy: 0.6983497904047844
Energy: 0.6754878814429613
Energy: 0.674932200752055
Energy: 0.6888426065530242
Energy: 0.6849832560815222
Energy: 0.6780093687304739
Energy: 0.6529293026839506
Energy: 0.6752466848742222
Energy: 0.6719255969625122
Energy: 0.6535252911893594
Energy: 0.6756022107814353
Energy: 0.6539809369478384
Energy: 0.6609847964907344
Energy: 0.650121892262196
Energy: 0.65071714459826
Energy: 0.6608182635344639
Energy: 0.6747887959943305
Energy: 0.6744306224724345
Energy: 0.6701126299983022
Energy: 0.6756327971907521
Energy: 0.6750956522735536
Energy: 0.6845750303515549
Energy: 0.6549726102010627
Energy: 0.6833450544316899
Energy: 0.6815171378112077
Energy: 0.669529723006977
Energy: 0.6694315885808952
Energy: 0.6541137699422762
Energy: 0.673560713729759
Energy: 0.6534815699873405
Energy: 0.68382885299947
Energy: 0.6857659492146634
Energy: 0.6865148824231264
Energy: 0.6773759375259789
Energy: 0.7723019182764752
Energy: 0.6899661735583494
Energy: 0.6739779343667129
Energy: 0.7044451370404935
Energy: 0.6714686426481343
Energy: 0.6636151773774275
Energy: 0.7101846389510099
Energy: 0.6445002944141307
Energy: 0.7905373193269177
Energy: 0.6794920578916652
Energy: 0.6979911476069001
Energy: 0.68955915296384
Energy: 0.691764253178369
Energy: 0.6987051441506661
Energy: 0.6590053125009122
Energy: 0.7106614958317017
Energy: 0.6564503241506825
Energy: 0.6856686316019167
Energy: 0.6679191387475538
Energy: 0.6853190053493643
Energy: 0.6013058855828101
Energy: 0.6860470726456138
Energy: 0.6874619716285516
Energy: 0.6034019403079746
Energy: 0.6864608697137069
Energy: 0.7144888808052384
Energy: 0.6032148728876678
Energy: 0.6894322692456187
Energy: 0.6964155867211446
Energy: 0.6285958066528942
Energy: 0.6881021392654224
Energy: 0.6961927476542695
Energy: 0.6581135415732491
Energy: 0.651085795390074
Energy: 0.6734717180971331
Energy: 0.7033727938173288
Energy: 0.6623993834126534
Energy: 0.6720992466507056
Energy: 0.6557213042856412
Energy: 0.6665106298548645
Energy: 0.6648180761520239
Energy: 0.6845073927871573
Energy: 0.6672977020710832
Energy: 0.6649881507267241
Energy: 0.670576592443728
Energy: 0.6388647559897118
Energy: 0.6440801047362206
Energy: 0.6719216226327185
Energy: 0.6564071610862552
Energy: 0.6636981757543692
Energy: 0.6552076031219904
Energy: 0.674576947640816
Energy: 0.6756836825533987
Energy: 0.676280619572334
Energy: 0.6755868108475079
Energy: 0.6747978261765246
Energy: 0.6633952368099927
Energy: 0.653640610001542
Energy: 0.6578366796751944
Energy: 0.6755322768925828
Energy: 0.6609768978688628
Energy: 0.6895830964891153
Energy: 0.6623047381625289
Energy: 0.6543418553255439
Energy: 0.6533084757518058
Energy: 0.6500265500428474
Energy: 0.6534298853099104
Energy: 0.691333267691516
Energy: 0.6627749498800466
Energy: 0.6878863134184614
Energy: 0.6917742516570603
Energy: 0.6557573256831386
Energy: 0.6874783335250295
Energy: 0.6926579965164695
Energy: 0.6750972357722149
Energy: 0.6941206387126335
Energy: 0.6754829887090519
Energy: 0.7032624714555322
Energy: 0.6763836842785633
Energy: 0.654544436427456
Energy: 0.7967885332810631
Energy: 0.6865549736111347
Energy: 0.6802025091443985
Energy: 0.6964148719273154
Energy: 0.6820240186667014
Energy: 0.7051280410844369
Energy: 0.65827543316711
Energy: 0.6764279177130527
Energy: 0.6941375957737366
Energy: 0.7050633860513806
Energy: 0.6744572258710058
Energy: 0.6713910074483372
Energy: 0.6033042567278436
Energy: 0.688753285016536
Energy: 0.6957583671858439
Energy: 0.6293881583810272
Energy: 0.6883146960231136
Energy: 0.6964428324202512

minimum gb energy = 0.6013058855828101 eV
minimum distance =  2.66946168948484 Angstroms
sigma value = 17


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

Energy: 0.9587573790108725
Energy: 0.7663706513694909
Energy: 0.766116407796748
Energy: 0.6267563760842583
Energy: 0.7296460959645715
Energy: 0.6273471295981528
Energy: 0.6035712992531852
Energy: 0.6697126089620858
Energy: 0.669325692031264
Energy: 0.6698897290748017
Energy: 0.6702360128598014
Energy: 0.616475727325524
Energy: 0.7660559803334286
Energy: 0.6049162784180349
Energy: 0.6067565982397367
Energy: 0.6702196800512726
Energy: 0.6053544469214451
Energy: 0.6062342783327511
Energy: 0.6696672481255772
Energy: 0.6066353120057615
Energy: 0.6067780199807727
Energy: 0.6695620038344751
Energy: 0.6072195059163578
Energy: 0.6134416017427436
Energy: 0.596841540634751
Energy: 0.6261696243594008
Energy: 0.609958165672718
Energy: 0.5965933379039752
Energy: 0.624625023042774
Energy: 0.609713863347951
Energy: 0.6030256596006365
Energy: 0.6129593812755659
Energy: 0.6133091499100919
Energy: 0.6356912366909762
Energy: 0.5906519047929691
Energy: 0.6098266174995348
Energy: 0.5953591002104469
Energy: 0.5898899786021021
Energy: 0.5897586370682689
Energy: 0.6642797094092213
Energy: 0.5921367419784577
Energy: 0.6023491691838893
Energy: 0.5914618434345797
Energy: 0.619661205204334
Energy: 0.6191247643708409
Energy: 0.6186377654680973
Energy: 0.6205594854860369
Energy: 0.6183618624442023
Energy: 0.5902235277505621
Energy: 0.6109705098378502
Energy: 0.6092572383812465
Energy: 0.5913963476754699
Energy: 0.6097145619234957
Energy: 0.5901501649190269
Energy: 0.5907342974722471
Energy: 0.6153238885295593
Energy: 0.614837861169966
Energy: 0.5909330097760992
Energy: 0.6098448840342696
Energy: 0.609508484111066
Energy: 0.674661872788703
Energy: 0.6097060433978396
Energy: 0.6100415071237801
Energy: 0.6279004629739451
Energy: 0.5967929290924306
Energy: 0.6093456234508732
Energy: 0.6276154237161854
Energy: 0.6696515951387071
Energy: 0.6697101033510919
Energy: 0.6514323592688007
Energy: 0.6692908938199206
Energy: 0.6702641813543568
Energy: 0.592557309218234
Energy: 0.6700210903142677
Energy: 0.6702635505229286
Energy: 0.6095937725760074
Energy: 0.6706605401907002
Energy: 0.669590883211462
Energy: 0.7348965895950843
Energy: 0.6695380288148323
Energy: 0.6695632337690134
Energy: 0.7165157752131598
Energy: 0.6695153480157516
Energy: 0.6161257649416646
Energy: 0.737585276474836
Energy: 0.664909222607181
Energy: 0.6648017547468918
Energy: 0.6765940607327201
Energy: 0.6651949152787116
Energy: 0.6658166008839038
Energy: 0.7619851100405082
Energy: 0.6699609243726118
Energy: 0.6278646673095837
Energy: 0.6838233052204552
Energy: 0.6812173982121688
Energy: 0.6699540544136275
Energy: 0.5781531683790508
Energy: 0.6773495666682914
Energy: 0.7295963691766724
Energy: 0.6021221023325642
Energy: 0.6776562023156881
Energy: 0.7305371984902451

minimum gb energy = 0.5781531683790508 eV
minimum distance =  2.70137416177613 Angstroms
sigma value = 17


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

Energy: 0.9981292966864305
Energy: 0.7235374993536066
Energy: 0.6089129901026741
Energy: 0.6110021929063355
Energy: 0.6458126086555853
Energy: 0.6091392562885977
Energy: 0.7076906920725755
Energy: 0.6441368140811718
Energy: 0.5792843272711582
Energy: 0.650139588062185
Energy: 0.6490450594803057
Energy: 0.5718340068235461
Energy: 0.7522168971310632
Energy: 0.5582842305698564
Energy: 0.5915558445521529
Energy: 0.6521459043228904
Energy: 0.5589836406360711
Energy: 0.5869638931268143
Energy: 0.6475397593425843
Energy: 0.6026559353531025
Energy: 0.5899383435598522
Energy: 0.6484360603382925
Energy: 0.5832207560698088
Energy: 0.5862296152115672
Energy: 0.6272150571756389
Energy: 0.57556521096824
Energy: 0.5766898561178052
Energy: 0.5775879032577346
Energy: 0.5782337519437462
Energy: 0.571557018991028
Energy: 0.5862744544262878
Energy: 0.5776539204344546
Energy: 0.5641496020918452
Energy: 0.5584200860403984
Energy: 0.5629455469997534
Energy: 0.5607724258342583
Energy: 0.6616954949476822
Energy: 0.5644428729833462
Energy: 0.5641636743096123
Energy: 0.5587150835883872
Energy: 0.5642033049680361
Energy: 0.5613646546905624
Energy: 0.6589053099461994
Energy: 0.5503013478407497
Energy: 0.5578798078332561
Energy: 0.5534979946409642
Energy: 0.549746501154543
Energy: 0.5577298793631722
Energy: 0.5347804238439049
Energy: 0.5549304941210682
Energy: 0.5501853787361545
Energy: 0.535312327930524
Energy: 0.60091046726297
Energy: 0.5338546373664518
Energy: 0.5389384052777482
Energy: 0.5662174286235209
Energy: 0.5530398451552878
Energy: 0.5342700072192418
Energy: 0.552199857393216
Energy: 0.5483210456918579
Energy: 0.59110851333011
Energy: 0.5345423921707925
Energy: 0.552937148211487
Energy: 0.5516614840257928
Energy: 0.535369489362201
Energy: 0.5526078010023643
Energy: 0.6400927553883918
Energy: 0.5337956581432023
Energy: 0.5340064508538067
Energy: 0.6017278659624218
Energy: 0.5358181718660642
Energy: 0.550350836162848
Energy: 0.6361854444067185
Energy: 0.556130803161266
Energy: 0.5560016375100731
Energy: 0.5522308766646684
Energy: 0.5558935166391702
Energy: 0.5560755857025859
Energy: 0.5640289389989651
Energy: 0.5580253830656352
Energy: 0.558121890073737
Energy: 0.5650243935154775
Energy: 0.5583941035259353
Energy: 0.564354604875449
Energy: 0.5634846800157868
Energy: 0.574734310583333
Energy: 0.5557441204173255
Energy: 0.5630905523679154
Energy: 0.5629657592869022
Energy: 0.5805826629892864
Energy: 0.6898914631093884
Energy: 0.5791799887356512
Energy: 0.5813142431081989
Energy: 0.5828576399994768
Energy: 0.57783073233682
Energy: 0.58039180272994
Energy: 0.6706194325548324
Energy: 0.6438832653704397
Energy: 0.6464474802634469
Energy: 0.578028918307439
Energy: 0.6435835219756347
Energy: 0.5789544678941858
Energy: 0.6246695984521738
Energy: 0.6454638341966875
Energy: 0.64759690792761
Energy: 0.6099574743525733
Energy: 0.6453413928639063
Energy: 0.5790454935529499
Energy: 0.7082873650665616
Energy: 0.6479235762791133
Energy: 0.608819867346344
Energy: 0.647907081767803
Energy: 0.5767289880819245
Energy: 0.5800447451287966
Energy: 0.7387492655104113
Energy: 0.5794955662854911
Energy: 0.5841512422260746
Energy: 0.7806611393119406
Energy: 0.5804205530245543
Energy: 0.6511090706150315
Energy: 0.7304754005351661
Energy: 0.6473499114792303
Energy: 0.6484409660880285
Energy: 0.647964297361932
Energy: 0.6467499264449872
Energy: 0.6478862328626642
Energy: 0.708188359212178
Energy: 0.6506041600206246
Energy: 0.6999160385756387
Energy: 0.5902662278413041
Energy: 0.6516509947080705
Energy: 0.5882830371288663
Energy: 0.7131277528291542
Energy: 0.6482250296861236
Energy: 0.57669215924608
Energy: 0.669815347260454
Energy: 0.6480608014860786
Energy: 0.6326417186153009
Energy: 0.7271877407138163
Energy: 0.5854589264714363
Energy: 0.6400823555138399
Energy: 0.6460968458013733
Energy: 0.5618889376327343
Energy: 0.6477505152244404
Energy: 0.6437650845882483
Energy: 0.5609667078286119
Energy: 0.5866872934134252
Energy: 0.6439702580816827
Energy: 0.558822406757333
Energy: 0.5872387275148194
Energy: 0.6314551002713588
Energy: 0.5779171465683939
Energy: 0.5785173064947773
Energy: 0.5763780525120199
Energy: 0.5794973688556957
Energy: 0.5812703686615005
Energy: 0.6419051669040289
Energy: 0.5823638717142727
Energy: 0.5785399009992392
Energy: 0.5578686246033765
Energy: 0.5827283829605385
Energy: 0.5592339075640804
Energy: 0.6441650778776794
Energy: 0.5714431416393563
Energy: 0.5639636191296533
Energy: 0.6448988018168953
Energy: 0.5641353693581626
Energy: 0.5663614810596685
Energy: 0.6573421730470601
Energy: 0.573125542480298
Energy: 0.5590905826459582
Energy: 0.5549110911507047
Energy: 0.5674767485485286
Energy: 0.5582036034478299
Energy: 0.5311737425978771
Energy: 0.5500859118646074
Energy: 0.5521211260103001
Energy: 0.5321639896316114
Energy: 0.54992096005544
Energy: 0.5560719136505923
Energy: 0.53691814342953
Energy: 0.5513061809548553
Energy: 0.5506838611542135
Energy: 0.5380255496626519
Energy: 0.5522192048733524
Energy: 0.547195424474195
Energy: 0.5908370769307314
Energy: 0.5524439921995781
Energy: 0.5522038273579889
Energy: 0.5677248047161576
Energy: 0.5529085315811855
Energy: 0.5519840207313442
Energy: 0.6368322203786778
Energy: 0.5377797092970151
Energy: 0.5339347437058151
Energy: 0.6379466255119861
Energy: 0.5327346569161511
Energy: 0.5338908325847851
Energy: 0.5696014284945525
Energy: 0.5574555797199559
Energy: 0.5574441063948709
Energy: 0.562529989108913
Energy: 0.5522675834119745
Energy: 0.5577904907699045
Energy: 0.5688881559837827
Energy: 0.5568024141577078
Energy: 0.5563566634352561
Energy: 0.5637911099406488
Energy: 0.5827165046668782
Energy: 0.5572674950368346
Energy: 0.5693797722105979
Energy: 0.5539834371767423
Energy: 0.5752044880734443
Energy: 0.5635830381776951
Energy: 0.5538333940536558
Energy: 0.5662839509328716
Energy: 0.6949100693446537
Energy: 0.5785326750140437
Energy: 0.5784748495025925
Energy: 0.5832999785802591
Energy: 0.5757638948378385
Energy: 0.5779987881043342
Energy: 0.6997336402633714
Energy: 0.6438228120766462
Energy: 0.5777221796344812
Energy: 0.5799290625055551
Energy: 0.6455120256925829
Energy: 0.5797019547011031
Energy: 0.6215001808931742
Energy: 0.6412880800372815
Energy: 0.5788560236562139
Energy: 0.5743975158550303
Energy: 0.6487760256078466
Energy: 0.5763774961444148
Energy: 0.6883553752138399
Energy: 0.6514866325906166
Energy: 0.6447486646434624
Energy: 0.5793710714901845
Energy: 0.6488885990203659
Energy: 0.60637589378843
Energy: 0.7067049063668936
Energy: 0.5782813125778691
Energy: 0.6451808501416707
Energy: 0.6515059383424784
Energy: 0.5773631862627779
Energy: 0.6426788202765067
Energy: 0.7269061829861557
Energy: 0.6032303536468019
Energy: 0.5786322876162308
Energy: 0.6490220369898845
Energy: 0.5763935645593259
Energy: 0.6469588182386157
Energy: 0.7129515526325546
Energy: 0.6483985027958019
Energy: 0.6457295669652935
Energy: 0.6699755372427584
Energy: 0.6480617568748631
Energy: 0.6324993413274345

minimum gb energy = 0.5311737425978771 eV
minimum distance =  2.68723015902116 Angstroms
sigma value = 57


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

Energy: 0.6347867916856615
Energy: 0.6796514801378984
Energy: 0.5856461991356955
Energy: 0.5464322125077733
Energy: 0.7370237898395277
Energy: 0.571811103689658
Energy: 0.6700152183033866
Energy: 0.620861157813218
Energy: 0.5411472871055405
Energy: 0.6195362475792283
Energy: 0.6180613057176919
Energy: 0.5516446699812799
Energy: 0.7051524533998444
Energy: 0.5251681901838589
Energy: 0.533723339701561
Energy: 0.6217588475723309
Energy: 0.5241755143444938
Energy: 0.5579880676551972
Energy: 0.6164256466508922
Energy: 0.5328504811186308
Energy: 0.5583944291158414
Energy: 0.6172678885372851
Energy: 0.5256053486037412
Energy: 0.5648131611646927
Energy: 0.5719103702672659
Energy: 0.547684774674713
Energy: 0.5497158477801034
Energy: 0.5924712760566967
Energy: 0.5470335345803189
Energy: 0.5500396750662216
Energy: 0.5891339838080191
Energy: 0.5418617996194909
Energy: 0.522668480165597
Energy: 0.5049923595779889
Energy: 0.5396941121692774
Energy: 0.5197791830920441
Energy: 0.6282587072924385
Energy: 0.5448676484102608
Energy: 0.5394629046651453
Energy: 0.5220696469805229
Energy: 0.5417325499177781
Energy: 0.5289036124425492
Energy: 0.6230512329190157
Energy: 0.4997458312915359
Energy: 0.5117704126893572
Energy: 0.5358911863348216
Energy: 0.5006522047379337
Energy: 0.5220284620051996
Energy: 0.5039022950384788
Energy: 0.5170907839055356
Energy: 0.5032646866630421
Energy: 0.5037028891559535
Energy: 0.5943328587643002
Energy: 0.5046036550447174
Energy: 0.5015404905635077
Energy: 0.5220515656106616
Energy: 0.5220759093403341
Energy: 0.5040749626587849
Energy: 0.5314340032741323
Energy: 0.5146784646944969
Energy: 0.5829146412402338
Energy: 0.48530627208985744
Energy: 0.5079370931831458
Energy: 0.49503376462891585
Energy: 0.48506838601727226
Energy: 0.5088155985208316
Energy: 0.5883279150967688
Energy: 0.49285514761550825
Energy: 0.4961205018351287
Energy: 0.5478048426007119
Energy: 0.4905323228090106
Energy: 0.5011280141800634
Energy: 0.5917086014819899
Energy: 0.5150825651354766
Energy: 0.5138663409321127
Energy: 0.5042478985857558
Energy: 0.5284719882869354
Energy: 0.5033836530127336
Energy: 0.48686466255588534
Energy: 0.5000050332197856
Energy: 0.48721150577388705
Energy: 0.48829418859396073
Energy: 0.5470304779760256
Energy: 0.49578828667130137
Energy: 0.4932377311005896
Energy: 0.4999619103472264
Energy: 0.49946791321775935
Energy: 0.48494199377387437
Energy: 0.5148647935656657
Energy: 0.5133703716117846
Energy: 0.6041345742693396
Energy: 0.5033250200853074
Energy: 0.5113247891204897
Energy: 0.5356444525479342
Energy: 0.5092833951603281
Energy: 0.511430228727375
Energy: 0.592724594390884
Energy: 0.5109004464567001
Energy: 0.5029441641465221
Energy: 0.4994926441821561
Energy: 0.5086825254894086
Energy: 0.517503098367254
Energy: 0.6077261090415419
Energy: 0.5180622892656004
Energy: 0.5185847227559118
Energy: 0.6063124358052827
Energy: 0.5196769945115991
Energy: 0.520274926689021
Energy: 0.5396809610391725
Energy: 0.5207613904650635
Energy: 0.5396602065726445
Energy: 0.5412653826610129
Energy: 0.5217106643457138
Energy: 0.5406145555609387
Energy: 0.6675638687444272
Energy: 0.5247440287629686
Energy: 0.5280722367733369
Energy: 0.554710904899591
Energy: 0.5150342261121817
Energy: 0.5385132830186344
Energy: 0.6560875176856023
Energy: 0.5488596098890418
Energy: 0.5518798847794095
Energy: 0.5482046676903781
Energy: 0.619178668604225
Energy: 0.5499292518634369
Energy: 0.5785703740834006
Energy: 0.6135321698839609
Energy: 0.5408826486762962
Energy: 0.5158483899545673
Energy: 0.6216493298505942
Energy: 0.5390251863656358
Energy: 0.6010471689248295
Energy: 0.6222015843457613
Energy: 0.6179080385441138
Energy: 0.548550480338875
Energy: 0.6176603245045311
Energy: 0.609273192675806
Energy: 0.66791230463907
Energy: 0.5507331949284775
Energy: 0.5407029673814873
Energy: 0.6180463162082785
Energy: 0.5502494774105644
Energy: 0.550549893537404
Energy: 0.7166563364141896
Energy: 0.5414625500641875
Energy: 0.5383468343729699
Energy: 0.6206022380446139
Energy: 0.538188562029015
Energy: 0.5496044988641097
Energy: 0.6904850705992132
Energy: 0.623580720783091
Energy: 0.6208335919136238
Energy: 0.6197059967700662
Energy: 0.6204303045287395
Energy: 0.5496942069713898
Energy: 0.5640711938778232
Energy: 0.6117655247531295
Energy: 0.5644560425821915
Energy: 0.5287380469169536
Energy: 0.619952060856118
Energy: 0.5594107949918738

minimum gb energy = 0.48494199377387437 eV
minimum distance =  2.6995785375853 Angstroms
sigma value = 43


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

Energy: 0.5563518876496194
Energy: 0.5570367995184439
Energy: 0.49653002847016825
Energy: 0.459425742968753
Energy: 0.6343559746777159
Energy: 0.4794420611195583
Energy: 0.5734974522537519
Energy: 0.5351229510038953
Energy: 0.4923185414690966
Energy: 0.5321564187288245
Energy: 0.531911706269252
Energy: 0.4702032805683588
Energy: 0.5984304007087832
Energy: 0.43024825228645563
Energy: 0.4435215808543155
Energy: 0.5349536565868077
Energy: 0.4305615379342202
Energy: 0.44364507469941095
Energy: 0.5257768288432915
Energy: 0.4452073623899537
Energy: 0.453561550684735
Energy: 0.4702504327443689
Energy: 0.43464081710155433
Energy: 0.49443460517018706
Energy: 0.5134762250301255
Energy: 0.46814917807413636
Energy: 0.46990633986716807
Energy: 0.4766833766073406
Energy: 0.469046138222746
Energy: 0.4701889388790798
Energy: 0.5052706976338626
Energy: 0.4764744244583824
Energy: 0.43782330571590006
Energy: 0.41723040903833636
Energy: 0.4750644872723464
Energy: 0.42609334473035704
Energy: 0.5404069651287453
Energy: 0.47505286899031524
Energy: 0.4750467573533327
Energy: 0.4535916323319583
Energy: 0.47520680581686864
Energy: 0.46169289127568214
Energy: 0.5386666475582551
Energy: 0.41417562152977083
Energy: 0.4186325059555246
Energy: 0.4280777813964393
Energy: 0.4140190825889629
Energy: 0.41852880292595046
Energy: 0.4424451061988368
Energy: 0.41817367699390867
Energy: 0.44393562582821994
Energy: 0.44344253578030324
Energy: 0.5144916531423278
Energy: 0.4424595619504647
Energy: 0.42826984795932305
Energy: 0.4166109003262357
Energy: 0.4226613884990358
Energy: 0.4435248513315124
Energy: 0.4168361924073846
Energy: 0.4223742976949558
Energy: 0.5002204713864578
Energy: 0.4208800968235561
Energy: 0.41313317860773685
Energy: 0.4105441517665616
Energy: 0.42102040549855524
Energy: 0.40807521863129437
Energy: 0.5112924552314391
Energy: 0.42092521514918446
Energy: 0.4229986597042588
Energy: 0.4206316701539359
Energy: 0.42132371127377644
Energy: 0.4210789807472652
Energy: 0.5126601224314709
Energy: 0.41045374679152313
Energy: 0.40620482878668607
Energy: 0.4292875737913823
Energy: 0.4039796860730107
Energy: 0.4195644542727358
Energy: 0.40883663974559237
Energy: 0.4077610903858117
Energy: 0.4109950863388184
Energy: 0.41018079300114024
Energy: 0.5039576539733467
Energy: 0.41112078382532735
Energy: 0.4091516730124536
Energy: 0.40818781727588577
Energy: 0.4077748991166396
Energy: 0.40900429688483264
Energy: 0.40836597081685205
Energy: 0.40738908584895633
Energy: 0.49965326497282175
Energy: 0.40426385726962044
Energy: 0.40460449129343834
Energy: 0.4040718516435613
Energy: 0.4038351876298402
Energy: 0.40403250940921787
Energy: 0.501292900486988
Energy: 0.40551729348617926
Energy: 0.4054867571877155
Energy: 0.40604687500929504
Energy: 0.40440934105345294
Energy: 0.4102420112886262
Energy: 0.5031888015686837
Energy: 0.418390594735532
Energy: 0.4101385443902198
Energy: 0.45948507556677626
Energy: 0.41764379120203365
Energy: 0.41012926294468216
Energy: 0.4042461960240371
Energy: 0.45912312361301777
Energy: 0.40573231728916376
Energy: 0.40488103117743734
Energy: 0.5024298734100785
Energy: 0.40533641315935925
Energy: 0.5041448173915303
Energy: 0.42750621608077516
Energy: 0.4109928235337339
Energy: 0.41047188651658073
Energy: 0.42797267331744415
Energy: 0.41409875472847385
Energy: 0.5055772902311131
Energy: 0.41003765319167973
Energy: 0.41091910081283023
Energy: 0.41189597091908076
Energy: 0.41018519822397936
Energy: 0.41431577952815707
Energy: 0.504326803516803
Energy: 0.40938741804609496
Energy: 0.40993439901360235
Energy: 0.4064204072764044
Energy: 0.4092191455240746
Energy: 0.4060761094878344
Energy: 0.42095920987826657
Energy: 0.4102981849839201
Energy: 0.410091615270861
Energy: 0.42166728399535414
Energy: 0.4109655102220143
Energy: 0.41062725393115773
Energy: 0.42064678540335776
Energy: 0.41836790554012837
Energy: 0.4229198301569931
Energy: 0.4217137937125806
Energy: 0.5106224290341673
Energy: 0.42189466568888767
Energy: 0.5245440771478125
Energy: 0.4119142275764812
Energy: 0.413083367266798
Energy: 0.42809085236339645
Energy: 0.41063873483159663
Energy: 0.4125973615886615
Energy: 0.5237970211382106
Energy: 0.44164583862747314
Energy: 0.4424427298673114
Energy: 0.4311950774558515
Energy: 0.441567299406547
Energy: 0.43097381050084793
Energy: 0.5029213845340191
Energy: 0.44159077870491814
Energy: 0.4277526529404017
Energy: 0.41445038425715525
Energy: 0.4415523101552247
Energy: 0.41691441095344905
Energy: 0.4749978371803666
Energy: 0.43142245508197113
Energy: 0.4267857235144684
Energy: 0.47548020449012407
Energy: 0.4310878618182833
Energy: 0.42686904344482474
Energy: 0.476084806945389
Energy: 0.43031744596664234
Energy: 0.47949232025404975
Energy: 0.4769733340699488
Energy: 0.5054286722571761
Energy: 0.4746924388630453
Energy: 0.5740452012932072
Energy: 0.42356310319028084
Energy: 0.4305259108302517
Energy: 0.4463217649350067
Energy: 0.42331006053913817
Energy: 0.42960766630100833
Energy: 0.5607664079077646
Energy: 0.5318706141896717
Energy: 0.4686902315230136
Energy: 0.4836728587339508
Energy: 0.5322726508706047
Energy: 0.47081399491116027
Energy: 0.5336279807231699
Energy: 0.5310462873743315
Energy: 0.453086803629895
Energy: 0.42590388828537545
Energy: 0.531235685951645
Energy: 0.439483460502648
Energy: 0.5190726477145977
Energy: 0.5289162843425748
Energy: 0.50035467182301
Energy: 0.47073937324179066
Energy: 0.533240031722796
Energy: 0.5005008660635009
Energy: 0.5631890715992539
Energy: 0.45641758364774276
Energy: 0.4610840271446421
Energy: 0.4709575204549677
Energy: 0.5015009132338446
Energy: 0.5041291968962861
Energy: 0.5985454908842246
Energy: 0.4440794844666059
Energy: 0.47191102147897424
Energy: 0.5318980589714046
Energy: 0.44605177362211734
Energy: 0.4720325923708786
Energy: 0.5734974518696082
Energy: 0.5303619122007537
Energy: 0.5005133430965614
Energy: 0.5306373033574502
Energy: 0.5328355506273043
Energy: 0.5003501430692994

minimum gb energy = 0.4038351876298402 eV
minimum distance =  2.69093288591065 Angstroms
sigma value = 81


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

Energy: 0.16962980836518282
Energy: 0.18712889735721597
Energy: 0.029539577881779366
Energy: 0.030399950656259177
Energy: 1.550938368632026
Energy: 0.1698946471931563
Energy: 0.18783674958101088
Energy: 0.2912023265843384
Energy: 0.2935242584222318
Energy: 0.3412612903569994
Energy: 0.2960126539933857
Energy: 0.29126451436422907
Energy: 0.3132667539821427
Energy: 0.029341831124290455
Energy: 0.02941932751331944
Energy: 0.34253903206482533
Energy: 0.02932359714753657
Energy: 0.029449592014982207
Energy: 0.3140687236746038
Energy: 0.02943630469287029
Energy: 0.029637221407230307
Energy: 0.31393141179201645
Energy: 0.0293846744332379
Energy: 0.050799223663077334
Energy: 0.050423508826497085
Energy: 0.3342530230057953
Energy: 0.3121407745065346
Energy: 0.051080965027050326
Energy: 0.3343590962097747
Energy: 0.33451859139224327
Energy: 0.029710111041277996
Energy: 0.30911583214678157
Energy: 0.029519708515265145
Energy: 0.030593469426551854
Energy: 0.3094752078495675
Energy: 0.029326621705261915
Energy: 0.33913863331629746
Energy: 0.3094121197173098
Energy: 0.291090559198144
Energy: 0.3385289161841089
Energy: 0.3092536331953592
Energy: 0.3092524741963403
Energy: 0.33735686571967693
Energy: 0.029334387152011338
Energy: 0.0294402825312974
Energy: 0.33848611480673646
Energy: 0.029213631849749466
Energy: 0.029488372942372686
Energy: 0.2929277653754826
Energy: 0.02949106119371325
Energy: 0.05090493962408383
Energy: 0.31696280855475745
Energy: 0.029435640547313915
Energy: 0.05159528650625456
Energy: 0.16991717445044466
Energy: 0.31746766712331526
Energy: 0.3169917281575913
Energy: 0.029367071129363004
Energy: 0.31694927680331453
Energy: 0.3118448227292918

minimum gb energy = 0.029213631849749466 eV
minimum distance =  2.82665390890124 Angstroms
sigma value = 3


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

Energy: 0.5001455580705134
Energy: 0.6035589868536965
Energy: 0.5338224177691626
Energy: 0.4830430309635642
Energy: 0.4974472074722928
Energy: 0.49250619574678217
Energy: 0.5250742686376456
Energy: 0.5133617969248796
Energy: 0.49407704342987935
Energy: 0.5059400038979842
Energy: 0.5719749676801357
Energy: 0.4921125076445759
Energy: 0.5539638458540711
Energy: 0.4840470599936176
Energy: 0.48439503923836036
Energy: 0.5369796427023857
Energy: 0.483456078770195
Energy: 0.48846863748625474
Energy: 0.523183136332153
Energy: 0.4829926696902015
Energy: 0.4869465181256452
Energy: 0.5230514837949982
Energy: 0.4471498518288843
Energy: 0.4950948861440762
Energy: 0.4685785337026969
Energy: 0.4925994807741941
Energy: 0.4938605848411504
Energy: 0.4680721334029332
Energy: 0.49785686014630687
Energy: 0.4920606469325262
Energy: 0.46773250582190506
Energy: 0.5014629344941456
Energy: 0.49140537825049463
Energy: 0.4582260186880868
Energy: 0.5347756889527122
Energy: 0.4584610593608566
Energy: 0.4971372377126997
Energy: 0.4560107649546807
Energy: 0.47629645317541275
Energy: 0.4976125850090398
Energy: 0.45584934155494533
Energy: 0.49528248358456434
Energy: 0.5231904188816139
Energy: 0.46424481276725255
Energy: 0.4640949363647876
Energy: 0.5227904212420383
Energy: 0.4404558508858575
Energy: 0.4709525932449963
Energy: 0.4951105761266887
Energy: 0.46372654467076746
Energy: 0.49533698190215525
Energy: 0.4968575958979324
Energy: 0.44116600386959687
Energy: 0.49805128422776435
Energy: 0.47474844338374655
Energy: 0.48908172815866097
Energy: 0.48881801002896774
Energy: 0.47472617068443734
Energy: 0.4910743773250526
Energy: 0.4603212940097559
Energy: 0.49674846673457257
Energy: 0.4700553113800151
Energy: 0.4702075931079928
Energy: 0.44446898451647304
Energy: 0.46730883349344204
Energy: 0.44468903452382025
Energy: 0.45253299380119016
Energy: 0.47396866207986355
Energy: 0.46994074726162705
Energy: 0.4526810729261347
Energy: 0.47333966414967155
Energy: 0.42703277386688904
Energy: 0.4524319059589934
Energy: 0.43412134096558824
Energy: 0.450607966316814
Energy: 0.45256951595338785
Energy: 0.4338217581539868
Energy: 0.4409435655407609
Energy: 0.452962837335419
Energy: 0.444373142867758
Energy: 0.4504317132639585
Energy: 0.450682601946345
Energy: 0.44389389954848174
Energy: 0.4545709558834426
Energy: 0.4514065547976824
Energy: 0.43201698947826417
Energy: 0.43281000385810303
Energy: 0.45063185568014236
Energy: 0.4341913552921596
Energy: 0.434360755277034
Energy: 0.4519108209493293
Energy: 0.4383636255614612
Energy: 0.4392070924930571
Energy: 0.43711157192486383
Energy: 0.44576756633677966
Energy: 0.43934769517448724
Energy: 0.4206977032677669
Energy: 0.44173127481438956
Energy: 0.44059502740440826
Energy: 0.4210125394163901
Energy: 0.44068735007649956
Energy: 0.4159798149895735
Energy: 0.41667096914493307
Energy: 0.43472793750574185
Energy: 0.43442166733411663
Energy: 0.41646936018133174
Energy: 0.43500978115592415
Energy: 0.43878018846794375
Energy: 0.44276482148004187
Energy: 0.46260857172551956
Energy: 0.43418559633057785
Energy: 0.4378400238135367
Energy: 0.46206882472136024
Energy: 0.434519341091219
Energy: 0.44503544010870005
Energy: 0.41480360627720375
Energy: 0.4210838925348559
Energy: 0.44563107099296734
Energy: 0.4217757107030122
Energy: 0.42056867453626073
Energy: 0.44489822853588884
Energy: 0.4385498503534526
Energy: 0.439974813683318
Energy: 0.4454619471208682
Energy: 0.4381854211158241
Energy: 0.44029031550928005
Energy: 0.43181377815362115
Energy: 0.4387059163121243
Energy: 0.4319923452165616
Energy: 0.43300426763265554
Energy: 0.43803466975084226
Energy: 0.43089321040093664
Energy: 0.4319850778164946
Energy: 0.4537607320727145
Energy: 0.45057626364813624
Energy: 0.4124931793316014
Energy: 0.45038338615268214
Energy: 0.45001303361378836
Energy: 0.48466894906490204
Energy: 0.4523634464453636
Energy: 0.4510990904957231
Energy: 0.4407569294932131
Energy: 0.45415580268861266
Energy: 0.44011961906230473
Energy: 0.4689288306044313
Energy: 0.454920676892022
Energy: 0.43187603590289475
Energy: 0.4696097868965427
Energy: 0.45272293844361566
Energy: 0.42676706071430187
Energy: 0.4704862720566527
Energy: 0.4551288606640183
Energy: 0.45484681416456824
Energy: 0.47066202730570994
Energy: 0.433868832842328
Energy: 0.46962856757945104
Energy: 0.48930908827070807
Energy: 0.4544236874148792
Energy: 0.45465480151083437
Energy: 0.49036377727888447
Energy: 0.47356923954582225
Energy: 0.47180718541909333
Energy: 0.46570677763369633
Energy: 0.475700696651607
Energy: 0.4747297789165943
Energy: 0.4657499630750127
Energy: 0.4756952677476769
Energy: 0.45809797498255195
Energy: 0.5378974114270755
Energy: 0.5147298890868179
Energy: 0.49587248758443964
Energy: 0.4498564063109086
Energy: 0.5137402802320148
Energy: 0.4497042067991734
Energy: 0.4708641603570395
Energy: 0.4927482938359316
Energy: 0.4932120035348871
Energy: 0.4723321572871651
Energy: 0.5167300157757689
Energy: 0.4952719853661686
Energy: 0.5124601622379622
Energy: 0.471607813506056
Energy: 0.47163704393009037
Energy: 0.512344207746536
Energy: 0.44583739437487785
Energy: 0.4714735090017002
Energy: 0.5522583701400251
Energy: 0.47187866608437334
Energy: 0.5065145697601788
Energy: 0.4979471031224056
Energy: 0.4630173603727409
Energy: 0.491524940814192
Energy: 0.4888656027137452
Energy: 0.5145890241948634
Energy: 0.5128721789373306
Energy: 0.48764172430007907
Energy: 0.5128270866684189
Energy: 0.47206534043754633

minimum gb energy = 0.4124931793316014 eV
minimum distance =  2.6497522397995 Angstroms
sigma value = 67


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

Energy: 0.5983374225759296
Energy: 0.5914089923377294
Energy: 0.5970242686661087
Energy: 0.559884835417269
Energy: 0.5841248720507218
Energy: 0.5971254677247742
Energy: 0.6100880530225328
Energy: 0.6095012262342353
Energy: 0.6123917538244958
Energy: 0.6135263517773856
Energy: 0.6076558267347378
Energy: 0.6085317759773254
Energy: 0.630665013737624
Energy: 0.5705531237783509
Energy: 0.5819683170966722
Energy: 0.6179129013086221
Energy: 0.5630196524776613
Energy: 0.5815636622772421
Energy: 0.6095534760925853
Energy: 0.6042188338982211
Energy: 0.6095118720794173
Energy: 0.575238161709545
Energy: 0.5563088577199222
Energy: 0.6177854667795181
Energy: 0.5746044735300287
Energy: 0.614046488435243
Energy: 0.6129148965572413
Energy: 0.5659639251375228
Energy: 0.6141758724511232
Energy: 0.6083059576675285
Energy: 0.5973933759750903
Energy: 0.5832098058615283
Energy: 0.5638370063395781
Energy: 0.564571063936478
Energy: 0.6108607036440006
Energy: 0.5640008695599213
Energy: 0.5857878627215676
Energy: 0.566203775441905
Energy: 0.5690080920876224
Energy: 0.5841968671021379
Energy: 0.5635576151021016
Energy: 0.5665139722629542
Energy: 0.5830449493997064
Energy: 0.5529283989303561
Energy: 0.5501338492662929
Energy: 0.583390736320753
Energy: 0.5417026069198844
Energy: 0.5624498781109898
Energy: 0.5610112631950228
Energy: 0.5726833802025765
Energy: 0.5724351471973552
Energy: 0.5663427365035398
Energy: 0.5483328411859836
Energy: 0.5691893744909325
Energy: 0.562507969656758
Energy: 0.5518918957924324
Energy: 0.5555533833145773
Energy: 0.5639861465054724
Energy: 0.5512368377149812
Energy: 0.5456929532872536
Energy: 0.561357705365469
Energy: 0.5497829070356011
Energy: 0.5515703205117222
Energy: 0.546197529211533
Energy: 0.5446875527057647
Energy: 0.5522899082598586
Energy: 0.5231946308756859
Energy: 0.5479341402369148
Energy: 0.5487199021270304
Energy: 0.5237809655718151
Energy: 0.5477949874498843
Energy: 0.5138045069521121
Energy: 0.5228150763637887
Energy: 0.5439332244722603
Energy: 0.5428401463503285
Energy: 0.5230789734820664
Energy: 0.5406175480852798
Energy: 0.5211463453334165
Energy: 0.5397993798017481
Energy: 0.5437714846038867
Energy: 0.5420527038364157
Energy: 0.5405063977527162
Energy: 0.5530688284377862
Energy: 0.5420468493899884
Energy: 0.5394697317635759
Energy: 0.524330095674794
Energy: 0.5283001769212433
Energy: 0.5405238914748761
Energy: 0.5231232981119595
Energy: 0.5193121479859563
Energy: 0.5434627077056183
Energy: 0.5447520876904433
Energy: 0.5484223200591168
Energy: 0.5494951727031815
Energy: 0.5406199155245304
Energy: 0.5477650980295007
Energy: 0.549029191109177
Energy: 0.5396847140848837
Energy: 0.5374186311395787
Energy: 0.5497400192778457
Energy: 0.5382497620135454
Energy: 0.5356210918915196
Energy: 0.5459538126234599
Energy: 0.5667037094532695
Energy: 0.5689162945468075
Energy: 0.5477714047719148
Energy: 0.5664691103300343
Energy: 0.5252904897555225
Energy: 0.5397632561219735
Energy: 0.5622935738992545
Energy: 0.5501186520036063
Energy: 0.5501501025549991
Energy: 0.5607895399967049
Energy: 0.5499125969480136
Energy: 0.5609147242515402
Energy: 0.580177327698111
Energy: 0.5803659203663539
Energy: 0.561473085939451
Energy: 0.5763272968550284
Energy: 0.5708699377261075
Energy: 0.575391094379002
Energy: 0.5792741074517402
Energy: 0.5789174060646158
Energy: 0.5767456479906684
Energy: 0.5726557835703227
Energy: 0.5853644514026862
Energy: 0.6304762665857012
Energy: 0.5489401923466302
Energy: 0.5792826995181236
Energy: 0.613216807954346
Energy: 0.5483559641373225
Energy: 0.5790455049674562
Energy: 0.6106753329048449
Energy: 0.5643750141424123
Energy: 0.5682408533148078
Energy: 0.6109875630509539
Energy: 0.5623454213573985
Energy: 0.5619547942924036

minimum gb energy = 0.5138045069521121 eV
minimum distance =  2.65365185982688 Angstroms
sigma value = 33


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

Energy: 0.9630692523625108
Energy: 0.7286451774667767
Energy: 0.7292187249814619
Energy: 0.6411970888739409
Energy: 0.6923360361717433
Energy: 0.6389004703597653
Energy: 0.6399521751326174
Energy: 0.6543576095074443
Energy: 0.6595845876649823
Energy: 0.6552034488825682
Energy: 0.6551622376216144
Energy: 0.6569859185528241
Energy: 0.7209507660381476
Energy: 0.6477978232410768
Energy: 0.6470929839636312
Energy: 0.686062211984629
Energy: 0.6480620692070729
Energy: 0.6470861539649461
Energy: 0.7006575791178989
Energy: 0.6480995796551214
Energy: 0.6477368039873403
Energy: 0.6452844282172667
Energy: 0.6045396759797004
Energy: 0.6469933372820136
Energy: 0.6237355470521532
Energy: 0.6542096841107397
Energy: 0.6565243716480177
Energy: 0.615320595607102
Energy: 0.6548546476541421
Energy: 0.6542846163136561
Energy: 0.6904676910831459
Energy: 0.6542106368059772
Energy: 0.6539329229219242
Energy: 0.6040415794924783
Energy: 0.6539850466573038
Energy: 0.6078281170242575
Energy: 0.6234963449420085
Energy: 0.6562827807873899
Energy: 0.6220100303118735
Energy: 0.6156719287518804
Energy: 0.6537847573163378
Energy: 0.6150479009330807
Energy: 0.6437579761890645
Energy: 0.6070319143126232
Energy: 0.6070462132632366
Energy: 0.6403053057253192
Energy: 0.6074306858259674
Energy: 0.6118156325531416
Energy: 0.6075816272909127
Energy: 0.6115901193827258
Energy: 0.6120287510815663
Energy: 0.613525863329919
Energy: 0.5838797757599833
Energy: 0.6125260630731441
Energy: 0.6053422635754565
Energy: 0.5902789462316214
Energy: 0.5853676664443939
Energy: 0.6063145550348679
Energy: 0.5855963815674796
Energy: 0.5874509117374767
Energy: 0.6053913186725143
Energy: 0.630765996725895
Energy: 0.6064792705536078
Energy: 0.5899321318729598
Energy: 0.5898307812637299
Energy: 0.6071639222472162
Energy: 0.5842687890344901
Energy: 0.5891722108421923
Energy: 0.5883904593086997
Energy: 0.5842682387988886
Energy: 0.6012493653367085
Energy: 0.5858046555289949
Energy: 0.5885079460124206
Energy: 0.6128264617195909
Energy: 0.6131382123741266
Energy: 0.5878165616915305
Energy: 0.6140625294889722
Energy: 0.5855253871604289
Energy: 0.6211756691154279
Energy: 0.6115082486713892
Energy: 0.6172143404695191
Energy: 0.5752053979288195
Energy: 0.6056945028123281
Energy: 0.5964204036406932
Energy: 0.6212380905334031
Energy: 0.6154102182873729
Energy: 0.6115727428759887
Energy: 0.6222813624998889
Energy: 0.6431266076207823
Energy: 0.6117125774648191
Energy: 0.6156030034206609
Energy: 0.6213282972489046
Energy: 0.6209355053662432
Energy: 0.6163218699783563
Energy: 0.6031968583790369
Energy: 0.6113956873511667
Energy: 0.7216225361134203
Energy: 0.621744927764312
Energy: 0.6213204474729591
Energy: 0.6853886412384879
Energy: 0.6220933360020081
Energy: 0.6209197783641383
Energy: 0.6965119623666796
Energy: 0.6560428203174985
Energy: 0.6573118455496674
Energy: 0.6566536048171809
Energy: 0.6572796887981028
Energy: 0.6334360489465337
Energy: 0.6802065837609832
Energy: 0.6558876798734844
Energy: 0.6740805085714376
Energy: 0.6204683134410841
Energy: 0.6852747118857754
Energy: 0.6197231163292141
Energy: 0.6402770572683575
Energy: 0.6544512366436116
Energy: 0.6560679057808064
Energy: 0.6420208974197248
Energy: 0.6553143411047281
Energy: 0.6542453034802234
Energy: 0.7200843124487292
Energy: 0.647881487634738
Energy: 0.6478939038362969
Energy: 0.6961393987378981
Energy: 0.6251405827400113
Energy: 0.646786345429389
Energy: 0.6959744330226296
Energy: 0.6478065523811629
Energy: 0.6467907106614823
Energy: 0.6925232550864483
Energy: 0.6481923389208974
Energy: 0.6466361939688716
Energy: 0.6238606226758786
Energy: 0.6543642426485388
Energy: 0.6571019277243235
Energy: 0.6153941009272411
Energy: 0.6551333850525225
Energy: 0.6568263222377198
Energy: 0.6564122569389165
Energy: 0.6537051729925324
Energy: 0.6540162910128264
Energy: 0.6045954499811738
Energy: 0.6608073667394538
Energy: 0.6082063556567212
Energy: 0.6236767146429707
Energy: 0.658145175403329
Energy: 0.6565005745324798
Energy: 0.6157475237362726
Energy: 0.6568403989069115
Energy: 0.6162488635026125
Energy: 0.6419075259429791
Energy: 0.6065887073369076
Energy: 0.6169184085285299
Energy: 0.6427472531020046
Energy: 0.6067577537329025
Energy: 0.6119169277230183
Energy: 0.6065728546774118
Energy: 0.61310952818143
Energy: 0.6113636900536115
Energy: 0.6137664330331825
Energy: 0.6151717680355603
Energy: 0.6141693344194823
Energy: 0.6060664177123962
Energy: 0.5922133268760906
Energy: 0.5852270410680469
Energy: 0.6140049085798168
Energy: 0.5871470815847857
Energy: 0.5878592148223248
Energy: 0.6064887352141779
Energy: 0.5932500858230625
Energy: 0.6052958103039664
Energy: 0.5867368901424431
Energy: 0.5917069719892613
Energy: 0.588815078814797
Energy: 0.5843348345642901
Energy: 0.5893924938527781
Energy: 0.5884582792241735
Energy: 0.5842878310733801
Energy: 0.6049917463938255
Energy: 0.5843359395406987
Energy: 0.591205451473692
Energy: 0.6116119442390368
Energy: 0.601647618296662
Energy: 0.5883519237758018
Energy: 0.6126251439381605
Energy: 0.5851126636542506
Energy: 0.621171118202392
Energy: 0.6115718495870347
Energy: 0.6106933879675531
Energy: 0.575830980250606
Energy: 0.6122794506078891
Energy: 0.6117501500628691
Energy: 0.6217134608147821
Energy: 0.6117112145186758
Energy: 0.6116433189937587
Energy: 0.6235789718487702
Energy: 0.642225686229391
Energy: 0.6196501643435725
Energy: 0.6161706692057204
Energy: 0.6269581924505112
Energy: 0.6113717636871113
Energy: 0.6162164696326123
Energy: 0.6028343510748235
Energy: 0.6113016601145844
Energy: 0.7195205002851075
Energy: 0.6218094734962429
Energy: 0.6214485690562956
Energy: 0.684637600601349
Energy: 0.5651838499839131
Energy: 0.621085974989699
Energy: 0.6953735938713763
Energy: 0.6575010654429024
Energy: 0.6113266486932081
Energy: 0.6568581972914183
Energy: 0.659392462142123
Energy: 0.6569687731682332
Energy: 0.6805883412880324
Energy: 0.6539785537627216
Energy: 0.6735232563181887
Energy: 0.6205076568513036
Energy: 0.6836867243721376
Energy: 0.6193599770497644

minimum gb energy = 0.5651838499839131 eV
minimum distance =  2.67596710984646 Angstroms
sigma value = 41


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

Energy: 0.8834934696326507
Energy: 0.773944917459464
Energy: 0.7770918979868281
Energy: 0.6858118608881308
Energy: 0.7119210194825025
Energy: 0.7706226052990844
Energy: 0.7107885168616285
Energy: 0.7151874785443163
Energy: 0.6970655817646517
Energy: 0.7154162020920031
Energy: 0.7139530083251994
Energy: 0.6989627877498937
Energy: 0.7811616819973403
Energy: 0.6955187437098092
Energy: 0.6956660019467547
Energy: 0.7131057745935363
Energy: 0.6893721209496594
Energy: 0.6937528766298396
Energy: 0.7138094536393008
Energy: 0.6968006124882414
Energy: 0.6955135278312653
Energy: 0.7154566468343355
Energy: 0.6907448260188884
Energy: 0.6777015564053139
Energy: 0.6837436507766408
Energy: 0.714244765585543
Energy: 0.6964348360485624
Energy: 0.6845760424844579
Energy: 0.712376391857585
Energy: 0.6991724882740945
Energy: 0.7078590239899467
Energy: 0.7033188933637797
Energy: 0.6983918633218035
Energy: 0.6949029581393439
Energy: 0.7032169427256967
Energy: 0.6786960345236285
Energy: 0.6846902599507968
Energy: 0.7162457208796419
Energy: 0.7175791926020881
Energy: 0.6844288895285776
Energy: 0.7165785354210222
Energy: 0.6661424227317801
Energy: 0.6870060984076973
Energy: 0.6715679887256641
Energy: 0.6700628682341355
Energy: 0.6876349633855123
Energy: 0.6661995267196462
Energy: 0.6693518424941416
Energy: 0.7047321217285037
Energy: 0.6800761456915357
Energy: 0.6787552315464991
Energy: 0.6765714261102267
Energy: 0.6802583662281982
Energy: 0.67797567580199
Energy: 0.7053356798606193
Energy: 0.6882928854273498
Energy: 0.6683780208197692
Energy: 0.6654702577817472
Energy: 0.6828918409466116
Energy: 0.669027824543491
Energy: 0.7095244423525019
Energy: 0.6647213523922669
Energy: 0.70064946109297
Energy: 0.6983513680946368
Energy: 0.6824907489019943
Energy: 0.7023083907724159
Energy: 0.7726977193585972
Energy: 0.679002157342138
Energy: 0.6777806409083085
Energy: 0.7132946068238265
Energy: 0.6463077721328786
Energy: 0.6777181561818085
Energy: 0.7786981694406646
Energy: 0.6996678020108342
Energy: 0.6891551358981197
Energy: 0.7168241084764513
Energy: 0.6981570199771058
Energy: 0.6986859304820282
Energy: 0.8041053728930797
Energy: 0.7125922552958202
Energy: 0.7028571289740647
Energy: 0.6775555731875946
Energy: 0.7121744835659651
Energy: 0.7031968715287331

minimum gb energy = 0.6463077721328786 eV
minimum distance =  2.67567347319031 Angstroms
sigma value = 11


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

Energy: 0.8074543327962419
Energy: 0.8554275596570216
Energy: 0.8729164150359596
Energy: 0.7616271787571087
Energy: 0.9623037016583627
Energy: 0.8933958389924848
Energy: 0.7951662573516041
Energy: 0.7405783342967359
Energy: 0.7424523690257812
Energy: 0.7320939007139232
Energy: 0.7420693761385231
Energy: 0.7278511087211392
Energy: 0.8523743205963228
Energy: 0.7289792206597854
Energy: 0.7230695922875707
Energy: 0.72708360474191
Energy: 0.7300920261342255
Energy: 0.7284840692403822
Energy: 0.7273720413195413
Energy: 0.7286987349946871
Energy: 0.7365277436513854
Energy: 0.727378442680515
Energy: 0.7291228640892142
Energy: 0.7291639260627997
Energy: 0.7290248473666489
Energy: 0.7430075445328999
Energy: 0.7401102207420889
Energy: 0.7392498112699291
Energy: 0.7428095127143248
Energy: 0.7284785063054441
Energy: 0.7236030529327183
Energy: 0.7653755186413247
Energy: 0.7451336200014568
Energy: 0.7298272427632346
Energy: 0.7832823072847203
Energy: 0.7237777299412543
Energy: 0.780498955774213
Energy: 0.7338788360086682
Energy: 0.7862976049800433
Energy: 0.7853463754807959
Energy: 0.7220722146210332
Energy: 0.7275180028268405
Energy: 0.7583212228978939
Energy: 0.737729559060478
Energy: 0.7241188238234023
Energy: 0.7420185424812424
Energy: 0.730937448405233
Energy: 0.7414774991693756
Energy: 0.77574779149702
Energy: 0.7289013898165323
Energy: 0.7293887123004408
Energy: 0.7262766187356137
Energy: 0.7274813458996628
Energy: 0.7214377929986308
Energy: 0.7754830207541786
Energy: 0.7289046321543302
Energy: 0.7297261018145069
Energy: 0.7963196379992481
Energy: 0.7281843296667618
Energy: 0.7213984161427673
Energy: 0.7585251852895817
Energy: 0.7380888807482139
Energy: 0.7236323790185557
Energy: 0.7419318662166787
Energy: 0.7300289929834047
Energy: 0.7405261930823328
Energy: 0.8145280414228532
Energy: 0.7478843755981455
Energy: 0.7753702705837808
Energy: 0.8194657903677225
Energy: 0.7202097808711494
Energy: 0.77524979572478
Energy: 0.7454340206765022
Energy: 0.7244821700841891
Energy: 0.7350384609963379
Energy: 0.7437719800655564
Energy: 0.7272953301119953
Energy: 0.7293790216319123
Energy: 0.730060239202405
Energy: 0.7291114386287544
Energy: 0.7282616495541095
Energy: 0.7471095168938141
Energy: 0.7286057484013436
Energy: 0.7286430849231246
Energy: 0.7552845847400077
Energy: 0.7393049026794899
Energy: 0.7231721681767986
Energy: 0.7555895573701201
Energy: 0.7288260947405175
Energy: 0.7286196322529183
Energy: 0.7463242983928345
Energy: 0.7234577960826858
Energy: 0.7302886572712669
Energy: 0.747754264846289
Energy: 0.7333768377472618
Energy: 0.7467689489293775
Energy: 0.7606614031032063
Energy: 0.7287936782025963
Energy: 0.7236154131511846
Energy: 0.761056489909404
Energy: 0.7279543676140642
Energy: 0.7255135182142356
Energy: 0.7201184119712709
Energy: 0.7563622609511035
Energy: 0.7398509939239695
Energy: 0.73283060017997
Energy: 0.7853192645343199
Energy: 0.81169134060446
Energy: 0.730065809392
Energy: 0.7251667738871159
Energy: 0.7325991204639297
Energy: 0.7304431353740121
Energy: 0.7323273185365586
Energy: 0.7252034863065487
Energy: 0.7308840297502162
Energy: 0.7288341395390365
Energy: 0.7188994535237015
Energy: 0.7308273805589592
Energy: 0.7309670035159825
Energy: 0.732526437136561
Energy: 0.7856626958149703
Energy: 0.7287998194793516
Energy: 0.7316011376079091
Energy: 0.73102829867476
Energy: 0.7297411957868265
Energy: 0.731424431760454
Energy: 0.7824264485282664
Energy: 0.7245159995982352
Energy: 0.7362198417809117
Energy: 0.7741782070963381
Energy: 0.7328226236214261
Energy: 0.7310700877343599
Energy: 0.7824466415644531
Energy: 0.7316144749897777
Energy: 0.7459838833668577
Energy: 0.7284756364677127
Energy: 0.7283445790831302
Energy: 0.726035487792721
Energy: 0.7838450069537739
Energy: 0.7322845397093497
Energy: 0.7320442792846638
Energy: 0.7318514596630018
Energy: 0.732070413373557
Energy: 0.7279106478234505
Energy: 0.8152298352611977
Energy: 0.7303613109350712
Energy: 0.7262522679516645
Energy: 0.815347169499559
Energy: 0.7260882910460533
Energy: 0.7330923258446859
Energy: 0.7371882398478463
Energy: 0.7411909187227923
Energy: 0.7318343014071444
Energy: 0.7359122406946955
Energy: 0.7614106801418055
Energy: 0.7235489805641061
Energy: 0.7283505643752496
Energy: 0.7465920083228567
Energy: 0.7471876398592731
Energy: 0.7359352362144207
Energy: 0.7489507398936148
Energy: 0.7320626269842846
Energy: 0.7369496802130334
Energy: 0.7401245098066097
Energy: 0.7301300130810022
Energy: 0.7326545734435019
Energy: 0.7544212222709894
Energy: 0.7230743531449085
Energy: 0.86180946866344
Energy: 0.7283303549587621
Energy: 0.7274746577139625
Energy: 0.7592360568581534
Energy: 0.7298767178377168
Energy: 0.7291433277492652
Energy: 0.8466395721968646
Energy: 0.7427846191657762
Energy: 0.7606746480510869
Energy: 0.7272708239057486
Energy: 0.7470614601769717
Energy: 0.723118406118325
Energy: 0.9063541261958423
Energy: 0.7823558000450964
Energy: 0.7707318770946335
Energy: 0.7343211681440612
Energy: 0.7815325900636105
Energy: 0.7697727938644557

minimum gb energy = 0.7188994535237015 eV
minimum distance =  2.69508320190855 Angstroms
sigma value = 57


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

Energy: 1.100105190756522
Energy: 0.6826411461763058
Energy: 0.6861071679764006
Energy: 0.917748027763436
Energy: 0.6884825743190689
Energy: 0.9168263175368978
Energy: 0.7067400142100277
Energy: 0.6882089971642982
Energy: 0.6890370735010558
Energy: 0.6840979165813106
Energy: 0.6867790511437074
Energy: 0.6636040591467386
Energy: 0.8178228270201793
Energy: 0.6599108865398102
Energy: 0.6600848950627747
Energy: 0.8192621623658821
Energy: 0.6601930961870012
Energy: 0.688783108447837
Energy: 0.6840662107671189
Energy: 0.6891231236843274
Energy: 0.7310661056975695
Energy: 0.6865800810122564
Energy: 0.8071840998944627
Energy: 0.6888260672174268
Energy: 0.7062351488318701
Energy: 0.688283556053432
Energy: 0.6883252877035817
Energy: 0.6887172183898226
Energy: 0.6888660045531512
Energy: 0.6887812449708909
Energy: 0.6872606332540551
Energy: 0.7071841567861448
Energy: 0.6634225608782736
Energy: 0.6961029590163672
Energy: 0.7046814313297366
Energy: 0.6626262098015753
Energy: 0.7047713362584792
Energy: 0.6482793464539354
Energy: 0.6484219672157954
Energy: 0.704023266590898
Energy: 0.6574678344873406
Energy: 0.6629189610185228
Energy: 0.803005601757843
Energy: 0.6882273773485516
Energy: 0.6903790513791188
Energy: 0.6883301266848696
Energy: 0.7057379275605739
Energy: 0.6628299650164114
Energy: 0.706061043302823
Energy: 0.6882792507151626
Energy: 0.6483538445623244
Energy: 0.6491568024646613
Energy: 0.6879094658718009
Energy: 0.6487449077635287
Energy: 0.7060571119909256
Energy: 0.6883862840378681
Energy: 0.648296596944033
Energy: 0.6488070871711467
Energy: 0.6900474134717499
Energy: 0.6486688343121911
Energy: 0.8037970047111241
Energy: 0.6896240260265051
Energy: 0.6837220251614482
Energy: 0.6885232160275457
Energy: 0.6860287891051473
Energy: 0.689560850972175
Energy: 0.6848269905989584
Energy: 0.6599278104545198
Energy: 0.6596615347218474
Energy: 0.6857594837799795
Energy: 0.6603621513190321
Energy: 0.6885041783073611
Energy: 0.6841379857549971
Energy: 0.68854183800116
Energy: 0.6637880360471702
Energy: 0.6852703508527346
Energy: 0.6864404930133029
Energy: 0.6615208547278777
Energy: 0.6861695671132864
Energy: 0.8227815166217237
Energy: 0.6897346268526472
Energy: 0.6963700570752678
Energy: 0.8245895745971977
Energy: 0.6899633551182272
Energy: 0.7047332241767101
Energy: 0.6475595244431803
Energy: 0.6883037423500432
Energy: 0.705075139011286
Energy: 0.6489007659925369
Energy: 0.6618759566746897
Energy: 0.8175525052624603
Energy: 0.6474075495082395
Energy: 0.6476212501839372
Energy: 0.8193849363766256
Energy: 0.649279126907099
Energy: 0.6894721347070608
Energy: 0.7067557483531918
Energy: 0.6881373836299685
Energy: 0.6888191270595886
Energy: 0.7071987594032162
Energy: 0.686885389249401
Energy: 0.697748722982407

minimum gb energy = 0.6474075495082395 eV
minimum distance =  2.69771111690438 Angstroms
sigma value = 9


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

Energy: 0.870037087111285
Energy: 0.8959891459061073
Energy: 0.8595804015015134
Energy: 0.8289496808513667
Energy: 0.8219603092278996
Energy: 0.8596735081324931
Energy: 0.8288774194459131
Energy: 0.773412652937765
Energy: 0.8145009284272122
Energy: 0.7510351831401932
Energy: 0.7832623782120858
Energy: 0.7763363822693642
Energy: 0.7879036695497946
Energy: 0.7552681543040883
Energy: 0.7708118818245374
Energy: 0.7884564447995347
Energy: 0.7544498876399451
Energy: 0.8389265927290825
Energy: 0.7834797946193325
Energy: 0.7744383158218276
Energy: 0.7541286527457406
Energy: 0.7928923243861569
Energy: 0.775448365522897
Energy: 0.7737028598595209
Energy: 0.7555503518482198
Energy: 0.7827311719320671
Energy: 0.7875181014475434
Energy: 0.7527634371882238
Energy: 0.7952595100217289
Energy: 0.790179275682987
Energy: 0.7416826876513601
Energy: 0.7554436922930459
Energy: 0.7536799653175295
Energy: 0.7424140619399445
Energy: 0.7554067957825428
Energy: 0.7768787750945828
Energy: 0.7744760510962871
Energy: 0.7630526134125413
Energy: 0.7410532550706523
Energy: 0.7752785759363515
Energy: 0.8198972780035655
Energy: 0.8262592597805845
Energy: 0.7931983194849158
Energy: 0.797882643366007
Energy: 0.7887934701878936
Energy: 0.7842558720993911
Energy: 0.7926691537527517
Energy: 0.7538731272882725
Energy: 0.8650381807248129
Energy: 0.7913686519526218
Energy: 0.760474606983166
Energy: 0.7713529736049977
Energy: 0.7858824460141886
Energy: 0.7488082743871616
Energy: 0.7979658003987269
Energy: 0.7585652718149494
Energy: 0.7609735891156851
Energy: 0.7572759342559438
Energy: 0.757763635669636
Energy: 0.7615873276680657
Energy: 0.7939685240544372
Energy: 0.7909495235513213
Energy: 0.7898552523717501
Energy: 0.7841458394286156
Energy: 0.779962861157076
Energy: 0.7876209402251061
Energy: 0.792540512058226
Energy: 0.7557043439008005
Energy: 0.7937356730393259
Energy: 0.7850491237162184
Energy: 0.7508220394702275
Energy: 0.7919191616694875
Energy: 0.8934354865176108
Energy: 0.7664264879159648
Energy: 0.756743127493839
Energy: 0.7379748812256762
Energy: 0.7640569360115761
Energy: 0.7499844024610334
Energy: 0.8396060611142054
Energy: 0.7898749636920128
Energy: 0.7907476916248392
Energy: 0.7458245934530819
Energy: 0.7547488756958416
Energy: 0.7556359204406738
Energy: 0.7868788536801373
Energy: 0.7986509173424693
Energy: 0.7668724401617667
Energy: 0.7873513627861994
Energy: 0.7561418754428498
Energy: 0.7810493160620535
Energy: 0.7846349456360718
Energy: 0.7437430475686918
Energy: 0.7605543078648492
Energy: 0.785390395654927
Energy: 0.7426855486472675
Energy: 0.7811932122823358
Energy: 0.76783049240383
Energy: 0.775275118840014
Energy: 0.7759753184292049
Energy: 0.7859692586574549
Energy: 0.777608091305318
Energy: 0.7904064761138382
Energy: 0.8326080026730441
Energy: 0.7917035245579649
Energy: 0.7774542894077506
Energy: 0.7603960341819864
Energy: 0.7884185023506209
Energy: 0.7635330093531998
Energy: 0.7786266705235149
Energy: 0.7571798586443651
Energy: 0.7748539062545089
Energy: 0.7777728960369238
Energy: 0.7607080684235434
Energy: 0.7757366332117084
Energy: 0.7899664157509189
Energy: 0.773735081519923
Energy: 0.7747303058190806
Energy: 0.7908259020833275
Energy: 0.7561487430740811
Energy: 0.7534745647543272
Energy: 0.8180949927248652
Energy: 0.7932056949857564
Energy: 0.7871356481875748
Energy: 0.7689628417172351
Energy: 0.7795839310337638
Energy: 0.7683663212505001

minimum gb energy = 0.7379748812256762 eV
minimum distance =  2.67515752032897 Angstroms
sigma value = 27


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

Energy: 0.8670282611853862
Energy: 0.81544874588335
Energy: 0.7993734614402556
Energy: 0.865654238560128
Energy: 1.0635106973364168
Energy: 0.8005156024034673
Energy: 0.775095235890974
Energy: 0.8266831283463353
Energy: 0.8106783255865047
Energy: 0.8116777867117435
Energy: 0.8266801997046027
Energy: 0.8052707963490442
Energy: 0.7726789538254845
Energy: 0.7854333495512807
Energy: 0.8075056734241043
Energy: 0.7559429889139048
Energy: 0.7453769874822803
Energy: 0.7561450964860793
Energy: 0.8176476207702064
Energy: 0.8012442768214643
Energy: 0.7998857591532854
Energy: 0.8085164229383677
Energy: 0.7730574369996146
Energy: 0.8012265247980819
Energy: 0.7455854913884007
Energy: 0.7981527215371178
Energy: 0.8601551363557417
Energy: 0.7463840503682956
Energy: 0.809067706579378
Energy: 0.8367412664344351
Energy: 0.7687273989249762
Energy: 0.8047319066501247
Energy: 0.8000250554466786
Energy: 0.7519294180043912
Energy: 0.8229139240654015
Energy: 0.8002222195642302
Energy: 0.8028356845568545
Energy: 0.712557797910248
Energy: 0.7610785890730074
Energy: 0.804177309454097
Energy: 0.7124694510607049
Energy: 0.7366669396004072
Energy: 0.8036597210383346
Energy: 0.7423337554986741
Energy: 0.7769079439886319
Energy: 0.7885729907133879
Energy: 0.7137272796420433
Energy: 0.7996064178880847
Energy: 0.8208539477263633
Energy: 0.769288826016437
Energy: 0.7693967299302374
Energy: 0.7838209106504064
Energy: 0.7796467021318764
Energy: 0.7845703532178647
Energy: 0.8347950757932346
Energy: 0.7662108711889849
Energy: 0.7834464319207037
Energy: 0.7653908050799225
Energy: 0.767863369765955
Energy: 0.7836697871124225
Energy: 0.8036251831529178
Energy: 0.8104728886129724
Energy: 0.8144031732997414
Energy: 0.7969160629726142
Energy: 0.7543937380754278
Energy: 0.8139272456115385
Energy: 0.8186293947819397
Energy: 0.775019514919121
Energy: 0.7774265662339963
Energy: 0.8215228953638605
Energy: 0.7703833938595236
Energy: 0.7887159031192196
Energy: 0.7135511360592359
Energy: 0.7983172600555875
Energy: 0.7350309358412193
Energy: 0.7118267577252382
Energy: 0.8033427983172218
Energy: 0.76499733245377
Energy: 0.7122722803555124
Energy: 0.7857432632345299
Energy: 0.7714961221258518
Energy: 0.713362517699119
Energy: 0.7972636424707066
Energy: 0.7429639377414331
Energy: 0.7905290595985213
Energy: 0.7764813273618115
Energy: 0.8006517630170911
Energy: 0.7762272761286951
Energy: 0.7628969040927716
Energy: 0.789535255066685
Energy: 0.8014039527061819
Energy: 0.782940146947356
Energy: 0.7762060429188236
Energy: 0.7910278168352863
Energy: 0.7871377524131331
Energy: 0.7683347391183879
Energy: 0.7457380508395574
Energy: 0.8092055353519986
Energy: 0.7925432946359656
Energy: 0.7467751372227858
Energy: 0.8118705284594289
Energy: 0.792244328534351
Energy: 0.7902797632249376
Energy: 0.8095797585632385
Energy: 0.7819301789413616
Energy: 0.7605685294767748
Energy: 0.8094797431833604
Energy: 0.7893178709671834
Energy: 0.8036110149265815
Energy: 0.7151812842025739
Energy: 0.7440146105840755
Energy: 0.8042277606273772
Energy: 0.7132970897754187
Energy: 0.7452261872545406
Energy: 0.8039529019562339
Energy: 0.7153550053942775
Energy: 0.7142386362232076
Energy: 0.8038132630005852
Energy: 0.7136496951011086
Energy: 0.7408238524781641
Energy: 0.9196915224402463
Energy: 0.7761096625157955
Energy: 0.7989537928423491
Energy: 0.7610254179971166
Energy: 0.8009074072000202
Energy: 0.7996013272003629
Energy: 0.7547853146022654
Energy: 0.8306394964767068
Energy: 0.8312339835347531
Energy: 0.7560181242367288
Energy: 0.8317038142253302
Energy: 0.8272570460846641
Energy: 0.8041198368202925
Energy: 0.7732284468922067
Energy: 0.816637351063288
Energy: 0.810801594008022
Energy: 0.77092117287536
Energy: 0.8150082208772546
Energy: 0.8053584664862441
Energy: 0.7975535738339234
Energy: 0.7864650115155177
Energy: 0.7891383993191006
Energy: 0.7627278514450624
Energy: 0.805083184828168
Energy: 0.7887862127500941
Energy: 0.8265595071749797
Energy: 0.8277359634781012
Energy: 0.789433621595594
Energy: 0.8263265358056295
Energy: 0.7819591279133644

minimum gb energy = 0.7118267577252382 eV
minimum distance =  2.67877932440171 Angstroms
sigma value = 19


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

Energy: 1.1319610661709145
Energy: 0.8626925875114358
Energy: 1.0766538759595532
Energy: 0.9700895835190615
Energy: 0.8041216319261942
Energy: 1.0820308602321007
Energy: 0.7838736958478226
Energy: 0.7656503177728037
Energy: 0.7762997375328673
Energy: 0.7915079570267457
Energy: 0.7564333766272946
Energy: 0.7805702401488582
Energy: 0.8044733659524694
Energy: 0.7608285309695918
Energy: 0.787647728908665
Energy: 0.7969881868406566
Energy: 0.7611019821568255
Energy: 0.8369211601653752
Energy: 0.7915675812092702
Energy: 0.7854209427292401
Energy: 0.7842370605822019
Energy: 0.8001562078813332
Energy: 0.7599604838979254
Energy: 0.7837355219502834
Energy: 0.7683712427345268
Energy: 0.8486502743539333
Energy: 0.8396333848325184
Energy: 0.7694280322344181
Energy: 0.8436809574975911
Energy: 0.8387380385697271
Energy: 0.7760839550868973
Energy: 0.7849446302657087
Energy: 0.7842027207086929
Energy: 0.7756563769469291
Energy: 0.7871188823423698
Energy: 0.7766133890645319
Energy: 0.813783072848427
Energy: 0.76137627645571
Energy: 0.7800982449371856
Energy: 0.7823697622656522
Energy: 0.7659156298687539
Energy: 0.7536765263816263
Energy: 0.8072143084852896
Energy: 0.7777482084369446
Energy: 0.7817776992504715
Energy: 0.8079360444634591
Energy: 0.777955585448773
Energy: 0.7880539846073225
Energy: 0.7560906923570091
Energy: 0.784791906745621
Energy: 0.773584517032495
Energy: 0.7580778214957421
Energy: 0.7942993021226009
Energy: 0.7678096546682829
Energy: 0.7610430665085965
Energy: 0.797380373963392
Energy: 0.785648694091781
Energy: 0.7634435557886273
Energy: 0.7846974928750721
Energy: 0.7805362583036072
Energy: 0.9495933361042093
Energy: 0.7741381913085035
Energy: 0.888945520274261
Energy: 0.945783123481337
Energy: 0.7432751061129841
Energy: 0.7638314953267145
Energy: 0.7869225407979354
Energy: 0.7468905104964144
Energy: 0.7688237397999141
Energy: 0.7884164495334038
Energy: 0.7417846839388177
Energy: 0.7757274075074779
Energy: 0.7854232895140079
Energy: 0.7918223961067969
Energy: 0.7885409279811636
Energy: 0.7673256761180329
Energy: 0.7872191784177408
Energy: 0.7663859730258922
Energy: 0.8220483345395044
Energy: 0.771819136849108
Energy: 0.7765922488392304
Energy: 0.746745629101194
Energy: 0.7662204342514529
Energy: 0.7759106623882097
Energy: 0.7867727271418904
Energy: 0.7494992039557664
Energy: 0.7573750834099192
Energy: 0.7868110505731253
Energy: 0.7494784678021081
Energy: 0.7647392765106485
Energy: 0.786476105592001
Energy: 0.7527915431656748
Energy: 0.7645314797173779
Energy: 0.7834976797500678
Energy: 0.737912222156446
Energy: 0.7689455290873162
Energy: 0.7570012817600534
Energy: 0.7722888807214167
Energy: 0.7906473450239073
Energy: 0.7414688755340254
Energy: 0.7740232334459133
Energy: 0.7710704979845966
Energy: 0.8124320946740854
Energy: 0.772935491630145
Energy: 0.7721575959143526
Energy: 0.7422487987604419
Energy: 0.8010385696143957
Energy: 0.7851618926958139
Energy: 0.8051020539918416
Energy: 0.7582041537568129
Energy: 0.7604457574945481
Energy: 0.8001021009440933
Energy: 0.7677536768582156
Energy: 0.7644195740386233
Energy: 0.7903451390223689
Energy: 0.7643353309299474
Energy: 0.7807312553951171
Energy: 0.7910445670731467
Energy: 0.7479808061560806
Energy: 0.7826860061975829
Energy: 0.7534915959589209
Energy: 0.7728560426372146
Energy: 0.7688456152213928
Energy: 0.753286661013115
Energy: 0.7860303450057564
Energy: 0.7644984015324369
Energy: 0.7459217260215221
Energy: 0.7827943267214986
Energy: 0.7799398033115612
Energy: 0.746574507412397
Energy: 0.7603156010627604
Energy: 0.7610221743219419
Energy: 0.7832441630275472
Energy: 0.7713169376991249
Energy: 0.7635625238914092
Energy: 0.784011544527435
Energy: 0.779820071461229
Energy: 0.7586868159836871
Energy: 0.8154798038301189
Energy: 0.760395991080185
Energy: 0.7719233708209083
Energy: 0.8159795602545555
Energy: 0.7411389384083437
Energy: 0.7740917717260488
Energy: 0.7931195261701107
Energy: 0.7730989252748528
Energy: 0.7766041331832041
Energy: 0.7473532692599278
Energy: 0.7949029170092827
Energy: 0.7719789390075501
Energy: 0.7617640089258607
Energy: 0.7856623262087248
Energy: 0.7851675451745941
Energy: 0.7567145138725195
Energy: 0.785453552729821
Energy: 0.7668016029795341
Energy: 0.793963810347064
Energy: 0.7658346023972313
Energy: 0.7659252118558404
Energy: 0.7872778994545905
Energy: 0.7644381557143879
Energy: 0.779419514716691
Energy: 0.7978792320781057
Energy: 0.7611985395064652
Energy: 0.7695735161045709
Energy: 0.7932678674004847
Energy: 0.7595597093487703
Energy: 0.7668404708179728
Energy: 0.806943981606391
Energy: 0.7983311782968273
Energy: 0.798453439416392
Energy: 0.7331569999850903
Energy: 0.798060893864266
Energy: 0.7590182502600601

minimum gb energy = 0.7331569999850903 eV
minimum distance =  2.67127466993765 Angstroms
sigma value = 101


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

Energy: 1.0696303923678516
Energy: 1.128970177113715
Energy: 1.1296947027416955
Energy: 0.9356585215251119
Energy: 0.748090706410338
Energy: 0.9372679266574598
Energy: 0.7605688002624141
Energy: 0.7386211899025413
Energy: 0.7370360187318578
Energy: 0.7377426602375281
Energy: 0.7423670833782496
Energy: 0.7464725723460885
Energy: 0.8856629004639134
Energy: 0.7586782509696265
Energy: 0.7544555310019306
Energy: 0.8605868972340889
Energy: 0.7400354069486309
Energy: 0.7614919770779958
Energy: 0.7714890790083853
Energy: 0.7471116681448748
Energy: 0.745281862928546
Energy: 0.7458509424322693
Energy: 0.747852593998989
Energy: 0.744754021211817
Energy: 0.7783569324651008
Energy: 0.8669249117914694
Energy: 0.8595890743150926
Energy: 0.7501322144832183
Energy: 0.8580218089202116
Energy: 0.7654876727214519
Energy: 0.7507126639304182
Energy: 0.7365066201263659
Energy: 0.7423602916975801
Energy: 0.7583895970997699
Energy: 0.7349435722489985
Energy: 0.7469806562867105
Energy: 0.778152456183155
Energy: 0.7552950849623575
Energy: 0.7537784570045412
Energy: 0.7633219022877357
Energy: 0.7550185631953619
Energy: 0.863320836219246
Energy: 0.7518434255561505
Energy: 0.7481200926961131
Energy: 0.7443845615010619
Energy: 0.7612649508505991
Energy: 0.7413818281345491
Energy: 0.7668198693379757
Energy: 0.7342678135681354
Energy: 0.7587895092645706
Energy: 0.7492060244721501
Energy: 0.7353426072689622
Energy: 0.7728951897170737
Energy: 0.7400741440291703
Energy: 0.7383316850200321
Energy: 0.7531601735762765
Energy: 0.7464011061119847
Energy: 0.7577953580572858
Energy: 0.7425633019523968
Energy: 0.7459041730780719
Energy: 0.8592804437199142
Energy: 0.7499480535262901
Energy: 0.7507825451164286
Energy: 0.8603292727783697
Energy: 0.7504711851954159
Energy: 0.9442293428228274
Energy: 0.7784890276406724
Energy: 0.7405534908669051
Energy: 0.7436494953460973
Energy: 0.7629064109941213
Energy: 0.7382045225383791
Energy: 0.7430645807049634
Energy: 0.7497947980582029
Energy: 0.7553832301792895
Energy: 0.7427276829522709
Energy: 0.7344740693626608
Energy: 0.7662082056882471
Energy: 0.743329865990193
Energy: 0.7455990575339898
Energy: 0.7545227721015468
Energy: 0.7536139928193618
Energy: 0.7331463896370414
Energy: 0.7404842716136008
Energy: 0.7540723036274681
Energy: 0.7882279386933405
Energy: 0.7537801558599707
Energy: 0.743670023490882
Energy: 0.7889826899207025
Energy: 0.7519090897914363
Energy: 0.7468107129285171
Energy: 0.787434817897934
Energy: 0.7343513517234788
Energy: 0.7372650646732488
Energy: 0.7547091222651366
Energy: 0.7347096752981969
Energy: 0.744886314459268
Energy: 0.7424398037115872
Energy: 0.7600565659705169
Energy: 0.7422538743427821
Energy: 0.7217318783204519
Energy: 0.796520242624428
Energy: 0.9369815152482027
Energy: 0.7596988384611315
Energy: 0.7613899432776586
Energy: 0.7529429534852147
Energy: 0.7429773345869629
Energy: 0.7572568226827123
Energy: 0.7477703120584177
Energy: 0.7882046779477327
Energy: 0.740012935646683
Energy: 0.7367182437447315
Energy: 0.7708028884797788
Energy: 0.7366220047492656
Energy: 0.735153982615866
Energy: 0.7623521417988831
Energy: 0.7378259931455967
Energy: 0.7468439488838933
Energy: 0.7562953357020145
Energy: 0.7368537859760946
Energy: 0.7515383609975551
Energy: 0.7520768957659488
Energy: 0.7491738099973623
Energy: 0.8603506534925831
Energy: 0.7502278063473089
Energy: 0.7475021596639825
Energy: 0.7315268360714474
Energy: 0.7502960953342548
Energy: 0.7341879885866942
Energy: 0.7387613236555658
Energy: 0.7489147002203432
Energy: 0.7563595558740085
Energy: 0.7372751710551508
Energy: 0.7637527483418036
Energy: 0.7333328097962173
Energy: 0.7380036345676555
Energy: 0.7580548055983369
Energy: 0.751524878728378
Energy: 0.7331103430112589
Energy: 0.7680438309850903
Energy: 0.7349447493892511
Energy: 0.7452027429063853
Energy: 0.7621093876005645
Energy: 0.7388578771143626
Energy: 0.7571524550045454
Energy: 0.7376356232302228
Energy: 0.7464323038918088
Energy: 0.7367469410990262
Energy: 0.7385711529985389
Energy: 0.7655493508178066
Energy: 0.7366275501705246
Energy: 0.7371014568814295
Energy: 0.750879472857153
Energy: 0.7445916984884244
Energy: 0.7382073801249178
Energy: 0.7655070726832377
Energy: 0.736655584833287
Energy: 0.7737355671813319
Energy: 0.7227350875365718
Energy: 0.7250092228917493
Energy: 0.7463753899480075
Energy: 0.7207951965826991
Energy: 0.729860842057388
Energy: 0.7871712944091301
Energy: 0.7379593972260066
Energy: 0.7362538811140263
Energy: 0.7625090049628526
Energy: 0.722770354042117
Energy: 0.7401326181660474
Energy: 0.7476580041663018
Energy: 0.7515756980165692
Energy: 0.7398185195982563
Energy: 0.7351344550185839
Energy: 0.773207716557935
Energy: 0.7386417982359367
Energy: 0.7457819281249324
Energy: 0.7575544454213764
Energy: 0.7476855116574095
Energy: 0.7323647560507797
Energy: 0.7587456064422426
Energy: 0.7479406788096966
Energy: 0.7866432592456445
Energy: 0.7404294997746217
Energy: 0.7377376605746905
Energy: 0.7626211831851575
Energy: 0.7399204041246483
Energy: 0.7400477104606814
Energy: 0.7880001130686575
Energy: 0.7391273280101939
Energy: 0.7356967657595415
Energy: 0.7654536951998788
Energy: 0.7365792718890305
Energy: 0.7337988148965577
Energy: 0.7448160098069949
Energy: 0.790045308410394
Energy: 0.7415225144344364
Energy: 0.7182918939247582
Energy: 0.7916671710099918
Energy: 0.7250690991727047

minimum gb energy = 0.7182918939247582 eV
minimum distance =  2.68204729136684 Angstroms
sigma value = 33


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

Energy: 0.012992482556158884
Energy: 0.013946656106996675
Energy: 0.01357059016029445
Energy: 0.014214049966534062
Energy: 0.5845873788151865
Energy: 0.013458458518781245
Energy: 0.014307594589613304
Energy: 0.07920673275064204
Energy: 0.07870869780869398
Energy: 0.07809347475903347
Energy: 0.07832549877021203
Energy: 0.07818792719248935
Energy: 0.7711441964624147
Energy: 0.5857861597925824
Energy: 0.5847144153366205
Energy: 0.584124526998776
Energy: 0.5849723988034281
Energy: 0.5844461822351557
Energy: 0.01430759458996182
Energy: 0.0792067327492867
Energy: 0.07870869780869398
Energy: 0.07809347476005965
Energy: 0.07832549877156737
Energy: 0.07818792719316701

minimum gb energy = 0.012992482556158884 eV
minimum distance =  2.85041245706496 Angstroms
sigma value = 1