Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6148132324218762
cohesive_energy=3.540081929549165
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.65397500457722e-19, 2.32865158515462e-19, 2.8488302729153996e-19, 3.29726349100566e-19, 3.6699297760740595e-19, 3.9750803377857e-19, 4.22844855068646e-19, 4.442002674232319e-19, 4.624234244583479e-19, 4.78160003357496e-19, 4.919275071734579e-19, 5.041328887712699e-19, 5.15058131238516e-19, 5.248618500619619e-19, 5.33590508363994e-19, 5.412264822016379e-19, 5.477569541618219e-19, 5.531979460108859e-19, 5.576231578739939e-19, 5.61139935585624e-19, 5.638219792709399e-19, 5.65691719402818e-19, 5.66784403867206e-19, 5.6713848490332e-19, 5.66757166864428e-19, 5.655266952095159e-19, 5.63291658805086e-19, 5.5986300080832595e-19, 5.550740948493e-19, 5.487775406776799e-19, 5.40713785678758e-19, 5.3055278146592995e-19, 5.17850725111578e-19, 5.0203403738073e-19, 4.82373727904916e-19, 4.579597603560239e-19, 4.2768663285659396e-19, 3.9019249526772594e-19, 3.43756609884504e-19, 2.86123112006256e-19, 2.1420460725926398e-19, 1.2368851679779019e-19, 8.67416827470966e-21, -1.385881186233366e-19, -3.28439801263464e-19, -5.757117320718539e-19, -9.029579117429879e-19]
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: 2.2204e-16 eV

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

Energy: 0.013653979644798505
Energy: 0.014201131175266675
Energy: 0.014388152339711493
Energy: 0.013820719123044407
Energy: 0.4120494225834256
Energy: 0.01413886841694362
Energy: 0.014201131174987884
Energy: 0.09215040778165873
Energy: 0.09318774764986226
Energy: 0.09216693548623245
Energy: 0.09194649217097231
Energy: 0.09305596782799051
Energy: 0.014388152337550857
Energy: 0.09318774764954862
Energy: 0.0925816955331287
Energy: 0.014292423570617779
Energy: 0.09189631730134443
Energy: 0.09225566671884765
Energy: 0.0138207191233232
Energy: 0.09216693548591881
Energy: 0.014292423570931419
Energy: 0.01389307571338184
Energy: 0.092017980272595
Energy: 0.014042844897608774
Energy: 0.4120494225834256
Energy: 0.09194649216943894
Energy: 0.09189631729981107
Energy: 0.09201798027322228
Energy: 0.09193543931338684
Energy: 0.09310000993927715
Energy: 0.014138868417570899
Energy: 0.09305596782767687
Energy: 0.09225566671856884
Energy: 0.014042844897016345
Energy: 0.09310000993558316
Energy: 0.014142048584089618

minimum gb energy = 0.013653979644798505 eV
minimum distance =  2.55227262620358 Angstroms
sigma value = 1


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

Energy: 1.0980339566982338
Energy: 0.7435850394948526
Energy: 0.7572927536856678
Energy: 0.7400516275237891
Energy: 1.094642953106539
Energy: 0.7648883842264524
Energy: 1.058308660919054
Energy: 0.7412598660597404
Energy: 0.7418669601853096
Energy: 0.7377911180455987
Energy: 0.7418920862394762
Energy: 0.7365596103744828
Energy: 1.000157182644522
Energy: 0.7378483457027837
Energy: 0.7395554710743109
Energy: 0.7459092752930147
Energy: 0.7401708590807428
Energy: 0.722802690724966
Energy: 1.1132726388135674
Energy: 0.7284407152765396
Energy: 0.718827038897735
Energy: 0.7196885523029757
Energy: 0.7385831923677989
Energy: 0.7190206961560673
Energy: 1.0098091972769403
Energy: 0.7435006141237066
Energy: 0.7457516229009346
Energy: 0.7446569658213537
Energy: 0.7433090936599106
Energy: 0.7452076313732122
Energy: 1.0016035462469994
Energy: 0.7436180325464281
Energy: 0.742897582040873
Energy: 0.7471371834784122
Energy: 0.7425527493687545
Energy: 0.7396146891251438
Energy: 1.0034191933154835
Energy: 0.7380409002286771
Energy: 0.7381255316100923
Energy: 0.7366052709307621
Energy: 0.7422847284837838
Energy: 0.7379217968271501
Energy: 0.9720999659359346
Energy: 0.7433620378287698
Energy: 0.746638881713791
Energy: 0.7418974641707239
Energy: 0.743221941193896
Energy: 0.737026322005981
Energy: 0.8140470771697662
Energy: 0.7472550623952258
Energy: 0.7430100765033493
Energy: 0.7428893070364562
Energy: 0.7470009894512514
Energy: 0.7420483610588303
Energy: 0.8095718173581488
Energy: 0.7483708449007896
Energy: 0.7466090697205369
Energy: 0.7344756904857139
Energy: 0.7440715723114855
Energy: 0.7460142332211925
Energy: 0.815610730947089
Energy: 0.7233478678574407
Energy: 0.7239839085804984
Energy: 0.7691977126268069
Energy: 0.7236390705647957
Energy: 0.7115043132697412
Energy: 0.7407212204236883
Energy: 0.7361933748638381
Energy: 0.7356397995261907
Energy: 0.7389581394029058
Energy: 0.7433762829206237
Energy: 0.7401617243835109
Energy: 0.74098821998787
Energy: 0.7448516168389416
Energy: 0.7474676258236358
Energy: 0.7411245941368518
Energy: 0.7462508781260877
Energy: 0.7423441514190865
Energy: 0.7890541972319957
Energy: 0.7190146354702832
Energy: 0.7189146329998585
Energy: 0.7394423001688244
Energy: 0.7190442648067285
Energy: 0.7173172603841544
Energy: 0.7569134185389912
Energy: 0.7469515461808282
Energy: 0.7454586766444052
Energy: 0.7268152726927433
Energy: 0.7485967048985149
Energy: 0.7458364733751058
Energy: 0.7581473738612167
Energy: 0.7366782567026928
Energy: 0.724561766601086
Energy: 0.7391765489547211
Energy: 0.7474162095939123
Energy: 0.7271345693960803
Energy: 0.9728156032807034
Energy: 0.7359612691472817
Energy: 0.7366423008779384
Energy: 0.737674136708911
Energy: 0.7356530175101943
Energy: 0.7193235231640119
Energy: 0.9006786604999035
Energy: 0.7475647171582802
Energy: 0.7462822225601314
Energy: 0.7472078655000682
Energy: 0.7464440837736983
Energy: 0.7461796081022319
Energy: 0.901009520457018
Energy: 0.7478941135513627
Energy: 0.7462699929128017
Energy: 0.7475722681088939
Energy: 0.7471490505622785
Energy: 0.7457497784252333
Energy: 0.9999594014411217
Energy: 0.7478431276016059
Energy: 0.7463060624154464
Energy: 0.747236108554781
Energy: 0.7472510469671326
Energy: 0.7456493255570169
Energy: 1.0479008986996163
Energy: 0.731873912713583
Energy: 0.7237511723452903
Energy: 0.7236373937199828
Energy: 0.7319242112811377
Energy: 0.7237746752789548
Energy: 1.0276606613872192
Energy: 0.7389586892383865
Energy: 0.7393037142196913
Energy: 0.7431379212058893
Energy: 0.738185726012978
Energy: 0.7228845677228668
Energy: 1.0593233281662222
Energy: 0.7446711491734002
Energy: 0.7458586648612745
Energy: 0.7461550356402491
Energy: 0.7304042316532097
Energy: 0.7469016737178714

minimum gb energy = 0.7115043132697412 eV
minimum distance =  2.33330422253935 Angstroms
sigma value = 33


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

Energy: 1.2564550984650786
Energy: 0.7983873884337569
Energy: 0.7519368016373873
Energy: 0.7715991272815121
Energy: 0.8353575451255977
Energy: 0.7971993291457156
Energy: 0.9835506681732827
Energy: 0.7450793659152106
Energy: 0.7507961532540514
Energy: 0.771944481609345
Energy: 0.7462568298470236
Energy: 0.7562550649289939
Energy: 0.965133791036716
Energy: 0.7467465760781351
Energy: 0.7487101590007449
Energy: 0.7999563222286314
Energy: 0.7465067774763696
Energy: 0.7673550157464037
Energy: 1.0418230165984854
Energy: 0.7911664449666035
Energy: 0.7488576775723677
Energy: 0.7640911121577744
Energy: 0.7483967775802131
Energy: 0.7639604358830164
Energy: 0.9751070791975458
Energy: 0.7611125203943138
Energy: 0.7598011759131992
Energy: 0.7736309658600412
Energy: 0.7604508820796175
Energy: 0.7715954187048483
Energy: 1.0497266573543653
Energy: 0.7635499651134167
Energy: 0.7748880875935455
Energy: 0.8132881419298157
Energy: 0.760823015327187
Energy: 0.8125514948007395
Energy: 1.0493604168728892
Energy: 0.804591030714118
Energy: 0.8131100758144312
Energy: 0.8013159960837826
Energy: 0.8073173626959987
Energy: 0.8004737939676013
Energy: 0.9748204582961614
Energy: 0.7894904218301613
Energy: 0.7922410204124738
Energy: 0.7671906442170104
Energy: 0.7892566694032644
Energy: 0.7910781863344661
Energy: 0.8560247730002705
Energy: 0.7886655920247498
Energy: 0.8230212014193183
Energy: 0.8126543796289569
Energy: 0.7883343230229148
Energy: 0.8152509264198053
Energy: 0.8565059063860141
Energy: 0.8132648980652999
Energy: 0.8134533543118003
Energy: 0.8146347539927565
Energy: 0.8182839200816133
Energy: 0.8130815794989433
Energy: 0.9043621535844141
Energy: 0.7043629526531684
Energy: 0.7043453251749984
Energy: 0.7613928035887026
Energy: 0.7046568445909769
Energy: 0.7042944689061903
Energy: 0.7925178895184486
Energy: 0.7662860265619327
Energy: 0.7957291955469674
Energy: 0.7913233868523735
Energy: 0.7692855526830897
Energy: 0.7939658852074204
Energy: 0.7903707619448926
Energy: 0.8194839635935254
Energy: 0.8157125753993714
Energy: 0.7903492461582318
Energy: 0.8190253038528634
Energy: 0.792416368195719
Energy: 0.811958796039587
Energy: 0.7638289863884704
Energy: 0.7641263051446857
Energy: 0.8020372024263
Energy: 0.7639042816665519
Energy: 0.7641578212115998
Energy: 0.8413654821894301
Energy: 0.8183840215124594
Energy: 0.8176908921663676
Energy: 0.8043789978412915
Energy: 0.8195673542358786
Energy: 0.8072290726282312
Energy: 0.8440184722989882
Energy: 0.7974112126155217
Energy: 0.7973031981948345
Energy: 0.8076627770653371
Energy: 0.8229806513911815
Energy: 0.8100445040362437
Energy: 0.9960295984700044
Energy: 0.7963588557750281
Energy: 0.7968017672295372
Energy: 0.8056043286287793
Energy: 0.7967996950786606
Energy: 0.7970727129948639
Energy: 0.9077735399104354
Energy: 0.8241589316267619
Energy: 0.8117673222771299
Energy: 0.7892048237586586
Energy: 0.8255562535784476
Energy: 0.7903090595939991
Energy: 0.9009131507241298
Energy: 0.813034423041219
Energy: 0.8149994143075752
Energy: 0.7883911169432729
Energy: 0.8129078157019349
Energy: 0.8110576019281205
Energy: 1.000892410173447
Energy: 0.8135161420146743
Energy: 0.8124766022466678
Energy: 0.8196692285386468
Energy: 0.8134803772313486
Energy: 0.8158494311567386
Energy: 1.1326967460024533
Energy: 0.8167752835214054
Energy: 0.7159746147847157
Energy: 0.7042927433423456
Energy: 0.8163469130545482
Energy: 0.7041901010989453
Energy: 0.8670660080813183
Energy: 0.7896533381217357
Energy: 0.7983080882441167
Energy: 0.762600014038867
Energy: 0.7906620925625643
Energy: 0.7970833077612964
Energy: 1.008096975009326
Energy: 0.790675248992947
Energy: 0.7895981146077113
Energy: 0.8211024605055168
Energy: 0.7909066058533197
Energy: 0.8160616836842174
Energy: 1.0424841003900378
Energy: 0.7980351253600589
Energy: 0.8094029723454311
Energy: 0.7641295222516595
Energy: 0.8007944878331931
Energy: 0.7921240782311615
Energy: 0.951359215268393
Energy: 0.8078263774636266
Energy: 0.8076834191793492
Energy: 0.8206192138572663
Energy: 0.8055072641153128
Energy: 0.8191194431597734
Energy: 0.9753962091962592
Energy: 0.8066465295584772
Energy: 0.8089668832220261
Energy: 0.8220112191960243
Energy: 0.8068748790521196
Energy: 0.808312055489404
Energy: 1.051295025883365
Energy: 0.8079359601947411
Energy: 0.8083087272678049
Energy: 0.7965390939691974
Energy: 0.8018774595158078
Energy: 0.7963875955320752
Energy: 0.9761093961558777
Energy: 0.7887798266435514
Energy: 0.7902292591898965
Energy: 0.8225756564685525
Energy: 0.7885974173093593
Energy: 0.8267967643865627
Energy: 0.8560269299670027
Energy: 0.7889691312074164
Energy: 0.7903331526802879
Energy: 0.8145634273402086
Energy: 0.7888036733699083
Energy: 0.8179433112749023
Energy: 0.8563786815840471
Energy: 0.8181548840500749
Energy: 0.8154626820304157
Energy: 0.812542699183957
Energy: 0.8184679493665449
Energy: 0.8139982027659913
Energy: 0.9449553632003773
Energy: 0.7041636742168546
Energy: 0.70389338348164
Energy: 0.7893450161546679
Energy: 0.7043733478792951
Energy: 0.7101963466848965
Energy: 0.7900667233647642
Energy: 0.7521372901184924
Energy: 0.7535741850208989
Energy: 0.7901398739050064
Energy: 0.7712691108817384
Energy: 0.7963761211201601
Energy: 0.7932463273773263
Energy: 0.8177198298918686
Energy: 0.8176222867777999
Energy: 0.7931322948768255
Energy: 0.8200939956111537
Energy: 0.793639825161384
Energy: 0.7906695689597211
Energy: 0.7640562364016973
Energy: 0.7640498776673584
Energy: 0.7904476377644025
Energy: 0.7643933537721914
Energy: 0.7751448344303555
Energy: 0.8411970609066278
Energy: 0.820956620517586
Energy: 0.8229352392166419
Energy: 0.8033321494772004
Energy: 0.8213053999556901
Energy: 0.808976214676576
Energy: 0.840464111600827
Energy: 0.7776864670919109
Energy: 0.8093024325032079
Energy: 0.8089403177895007
Energy: 0.819830521168117
Energy: 0.8109340657548144
Energy: 0.841240238299418
Energy: 0.7476637033431536
Energy: 0.7479126766898989
Energy: 0.7542824740018358
Energy: 0.7472242776551625
Energy: 0.7344759923103152
Energy: 0.9010243404761524
Energy: 0.8136934043101066
Energy: 0.7759471048604669
Energy: 0.788389085292369
Energy: 0.7648277984547862
Energy: 0.7805919075136273
Energy: 0.9062582046978663
Energy: 0.7680324328075027
Energy: 0.7674608918231951
Energy: 0.7892528118756087
Energy: 0.7669422312185986
Energy: 0.7907420024255464
Energy: 0.9753642158026904
Energy: 0.7657159399784557
Energy: 0.7656120917315051
Energy: 0.7707533879643513
Energy: 0.7656787169816298
Energy: 0.7742252312004917
Energy: 1.1452310069162923
Energy: 0.7577136881173996
Energy: 0.7261173805794597
Energy: 0.7049503215676846
Energy: 0.7447591793754768
Energy: 0.7389645705861541

minimum gb energy = 0.70389338348164 eV
minimum distance =  2.29977199294588 Angstroms
sigma value = 51


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

Energy: 1.1375231131974637
Energy: 0.7391675325145342
Energy: 0.7382870332641958
Energy: 0.7924370945396113
Energy: 0.75657289201899
Energy: 0.7731206607237997
Energy: 0.9382855823847418
Energy: 0.7555627734110137
Energy: 0.7556013308227719
Energy: 0.7521611801451018
Energy: 0.7553734043799212
Energy: 0.7697318684319142
Energy: 1.0295810549009043
Energy: 0.7557457266579714
Energy: 0.7555513648050435
Energy: 0.7611188801719155
Energy: 0.7565680749225548
Energy: 0.7630863191860067
Energy: 1.0265692101192594
Energy: 0.7563601656100413
Energy: 0.7414008631446254
Energy: 0.7514369926250054
Energy: 0.7560364432536596
Energy: 0.754251815496856
Energy: 0.8818279996249332
Energy: 0.7853763507037705
Energy: 0.7853924171849108
Energy: 0.7623321483355903
Energy: 0.8004527265666179
Energy: 0.7848603089761762
Energy: 0.8808420707734582
Energy: 0.7850147945714427
Energy: 0.784783344528538
Energy: 0.7846337515045364
Energy: 0.7842017852367341
Energy: 0.78441965698263
Energy: 0.8808514659887353
Energy: 0.7601192929170999
Energy: 0.7843116827050959
Energy: 0.7775190327964348
Energy: 0.7623442787345046
Energy: 0.7774425973173026
Energy: 0.8748588111365483
Energy: 0.7356496684525998
Energy: 0.7357242670840342
Energy: 0.7555970069703457
Energy: 0.7364110440893803
Energy: 0.7470350742008002
Energy: 0.7557515764044895
Energy: 0.7357520184902899
Energy: 0.7471025185580412
Energy: 0.7558372982127898
Energy: 0.7479677383781935
Energy: 0.763842261159695
Energy: 0.7556278109246268
Energy: 0.7597243661052535
Energy: 0.7790535803028449
Energy: 0.7556432360017271
Energy: 0.760053101909049
Energy: 0.7555057972214938
Energy: 0.7564168007623588
Energy: 0.7348105861746579
Energy: 0.7347699438844084
Energy: 0.7561767020429666
Energy: 0.7352463906103544
Energy: 0.7315526680967563
Energy: 0.7823156714614768
Energy: 0.7596134902602883
Energy: 0.7741697820765896
Energy: 0.7567375500276924
Energy: 0.7751019592071992
Energy: 0.7573535143785391
Energy: 0.782351184642493
Energy: 0.7636046224832482
Energy: 0.7629483658758415
Energy: 0.7621843032822355
Energy: 0.7541428311118561
Energy: 0.7640964056219411
Energy: 0.7834626350885904
Energy: 0.7587536625308764
Energy: 0.758944390035914
Energy: 0.7573360689013072
Energy: 0.7586697848144351
Energy: 0.7586965263513401
Energy: 0.9374832514772585
Energy: 0.763745925266263
Energy: 0.763775738786243
Energy: 0.7756812874762024
Energy: 0.7654274295031199
Energy: 0.7527806499219889
Energy: 0.9388456657799498
Energy: 0.7635639021860566
Energy: 0.7634614713627403
Energy: 0.7629782177788826
Energy: 0.7636622214970723
Energy: 0.769396520207765
Energy: 0.9504541571657965
Energy: 0.7646214854212373
Energy: 0.7634250788791375
Energy: 0.7773799745646673
Energy: 0.7655853070197508
Energy: 0.7635450042209719
Energy: 1.111815772510315
Energy: 0.7556101715876894
Energy: 0.759074642533223
Energy: 0.7355318859189403
Energy: 0.7561179712702193
Energy: 0.7735666873418587

minimum gb energy = 0.7315526680967563 eV
minimum distance =  2.28526299907798 Angstroms
sigma value = 19


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

Energy: 0.9674249086608417
Energy: 0.7249314302342318
Energy: 0.7247988080804139
Energy: 0.8224401182040553
Energy: 0.6963709669330304
Energy: 0.7259463534584524
Energy: 0.9103561963806355
Energy: 0.7056573483207499
Energy: 0.7056528603938441
Energy: 0.7304825352151313
Energy: 0.7055555611696549
Energy: 0.7058893289766506
Energy: 1.0213521322844292
Energy: 0.7058314290039249
Energy: 0.7059415091639143
Energy: 0.7429782075008929
Energy: 0.705850192790443
Energy: 0.7059315208008338
Energy: 0.8273229719033437
Energy: 0.7062575175821674
Energy: 0.7061360980926368
Energy: 0.7364463641589726
Energy: 0.7056518588200392
Energy: 0.7059672761599503
Energy: 0.8321320120719208
Energy: 0.7059204771222641
Energy: 0.7311495508132833
Energy: 0.7309486555082798
Energy: 0.7059237741125769
Energy: 0.731488368542766
Energy: 0.832633296119637
Energy: 0.6861954616421863
Energy: 0.7305433229534357
Energy: 0.7304011142317672
Energy: 0.6862404737591318
Energy: 0.73028734167395
Energy: 0.8343892066383987
Energy: 0.6932932933497575
Energy: 0.730689521021164
Energy: 0.7306232934037827
Energy: 0.6929490979506885
Energy: 0.731204982188978
Energy: 0.7945809430445853
Energy: 0.6862454909129987
Energy: 0.6866450573577799
Energy: 0.7955377649259389
Energy: 0.6863161967111047
Energy: 0.686324982848203
Energy: 0.7055381137191749
Energy: 0.6865969630739236
Energy: 0.6865114338260191
Energy: 0.7055755994776411
Energy: 0.6862474307650376
Energy: 0.6862581842966511
Energy: 0.7073110501985511
Energy: 0.707618380434447
Energy: 0.705998449440528
Energy: 0.7060246889255893
Energy: 0.730605438356737
Energy: 0.7057753667858737
Energy: 0.7053391864800257
Energy: 0.7368873817195148
Energy: 0.7379208372821336
Energy: 0.7060756936099245
Energy: 0.7369035977774725
Energy: 0.7059432740821951
Energy: 0.8315030657424323
Energy: 0.7305556294121881
Energy: 0.7305184013370241
Energy: 0.7056605883537107
Energy: 0.7311308892208666
Energy: 0.7055097326508726
Energy: 0.6862866799227476
Energy: 0.7306717400576603
Energy: 0.7317468602751657
Energy: 0.688451565271075
Energy: 0.7308002695327636
Energy: 0.7316170811203692
Energy: 0.8325531483457257
Energy: 0.7312594730972161
Energy: 0.7314037308633431
Energy: 0.7058180693150866
Energy: 0.7309268274018754
Energy: 0.7314222616366695
Energy: 0.9664859892990771
Energy: 0.7056597641972564
Energy: 0.70586895508856
Energy: 0.6861825378870249
Energy: 0.7056070051496206
Energy: 0.6864202723872133
Energy: 0.9652103870535086
Energy: 0.7068368326369775
Energy: 0.6864317521622713
Energy: 0.6861051266723536
Energy: 0.7059155009222579
Energy: 0.6865249357678794
Energy: 0.8325772243406704
Energy: 0.7055855821815405
Energy: 0.7056166514404453
Energy: 0.7308336932391545
Energy: 0.7065585143364744
Energy: 0.7058929788962418
Energy: 0.8288137553369639
Energy: 0.7057736919770531
Energy: 0.7060529762835317
Energy: 0.7365359557663334
Energy: 0.7055748615436404
Energy: 0.7059276728925584
Energy: 0.8268071288326221
Energy: 0.7058855277693014
Energy: 0.705849653797261
Energy: 0.7368905137062822
Energy: 0.7057369756233839
Energy: 0.705881944155644
Energy: 0.8317927293183282
Energy: 0.6861990048435344
Energy: 0.7315680318727716
Energy: 0.7306817228400279
Energy: 0.6860973292610643
Energy: 0.7301421598037116
Energy: 0.8291807782852066
Energy: 0.7312349904236634
Energy: 0.7307107632116568
Energy: 0.730940514114537
Energy: 0.7061662720045674
Energy: 0.7316323109555866
Energy: 0.8312887877544536
Energy: 0.693130373050266
Energy: 0.7305763914263191
Energy: 0.7307208919783507
Energy: 0.692840347856072
Energy: 0.7306970222222249
Energy: 0.7957437258118485
Energy: 0.6864827728748856
Energy: 0.6867186937902447
Energy: 0.7955720324610198
Energy: 0.6861029991228773
Energy: 0.6865748542882826
Energy: 0.7056214933272054
Energy: 0.7312832541396501
Energy: 0.70587290089332
Energy: 0.7055286937600475
Energy: 0.7205095314243803
Energy: 0.7058142766327653
Energy: 0.7057479761158131
Energy: 0.7062870492915567
Energy: 0.7059105911585632
Energy: 0.7057894345077101
Energy: 0.7308530467619264
Energy: 0.7059314371534253
Energy: 0.7966824172420494
Energy: 0.7367937759113621
Energy: 0.7367398656633823
Energy: 0.7054355447765994
Energy: 0.7364084571919997
Energy: 0.706015765548072
Energy: 0.8314741608278882
Energy: 0.7305018509608114
Energy: 0.7318600530800314
Energy: 0.7065150450417864
Energy: 0.7310623428943124
Energy: 0.7311028741841024
Energy: 0.6861476525493144
Energy: 0.7307535669798587
Energy: 0.7316338590022442
Energy: 0.6862092235675005
Energy: 0.730543860521957
Energy: 0.7301062305490857
Energy: 0.7968956101840197
Energy: 0.7310087903693347
Energy: 0.7324946028125939
Energy: 0.6944384864488763
Energy: 0.7306523194891535
Energy: 0.7300006022384644
Energy: 0.9657208285024703
Energy: 0.7058034596581139
Energy: 0.6863047911139919
Energy: 0.686226440186366
Energy: 0.7054223007003291
Energy: 0.6864662068284504

minimum gb energy = 0.6860973292610643 eV
minimum distance =  2.38346703584136 Angstroms
sigma value = 27


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

Energy: 0.8346784699749195
Energy: 0.7355284180544573
Energy: 0.7354006329652705
Energy: 0.7448520276872609
Energy: 1.2218769003536436
Energy: 0.7355021907406172
Energy: 0.7452993357626916
Energy: 0.7062120707760802
Energy: 0.7064958065666211
Energy: 0.6739597718934408
Energy: 0.7060161620659985
Energy: 0.6802086483125565
Energy: 0.7525597848633336
Energy: 0.7065786139095
Energy: 0.70710176976637
Energy: 0.691783998214178
Energy: 0.708689654637879
Energy: 0.6816904455149213
Energy: 0.6647793152626414
Energy: 0.7068153079633446
Energy: 0.7071862508175124
Energy: 0.676128748755684
Energy: 0.7070284676350237
Energy: 0.6795106284075716
Energy: 0.8216129499575793
Energy: 0.6510458225245221
Energy: 0.6744734827902432
Energy: 0.7075325334295499
Energy: 0.650735166557023
Energy: 0.6821134461065972
Energy: 0.7071088441855365
Energy: 0.6509797151679467
Energy: 0.6509081324103743
Energy: 0.7069343006945072
Energy: 0.650313530524984
Energy: 0.6587913761881662
Energy: 0.709263102323145
Energy: 0.674951540432505
Energy: 0.682149863051842
Energy: 0.7077711285638596
Energy: 0.6743286969862422
Energy: 0.7064088528320561
Energy: 0.7083263358170167
Energy: 0.6711581835380409
Energy: 0.6711435832716477
Energy: 0.7073626007402942
Energy: 0.671511654454042
Energy: 0.6860156970728902
Energy: 0.7523826274195367
Energy: 0.6710126394245755
Energy: 0.674192603046486
Energy: 0.7062900895770239
Energy: 0.6714252991159699
Energy: 0.679814881606162
Energy: 0.6649121351320928
Energy: 0.6897630587692256
Energy: 0.6956065031430055
Energy: 0.7097094030320409
Energy: 0.6892859870311306
Energy: 0.6970441811335123
Energy: 0.752680112586179
Energy: 0.7112744359515025
Energy: 0.7137100536800759
Energy: 0.707471353852511
Energy: 0.7107276539075652
Energy: 0.69078621427802
Energy: 0.7452993341486122
Energy: 0.707265019181184
Energy: 0.680103655166691
Energy: 0.6736288596803618
Energy: 0.7068219484825535
Energy: 0.6802047238756258

minimum gb energy = 0.650313530524984 eV
minimum distance =  2.3676224962478 Angstroms
sigma value = 9


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

Energy: 0.6880897544346689
Energy: 0.6371680063128136
Energy: 0.6228476375560087
Energy: 0.6362468792595732
Energy: 0.6373329865083837
Energy: 0.6162785501068284
Energy: 0.6830657250190689
Energy: 0.6193542790645223
Energy: 0.6200135045839317
Energy: 0.6235645018704598
Energy: 0.619901349864426
Energy: 0.6222896625634783
Energy: 0.6494337789354352
Energy: 0.6213315287445648
Energy: 0.620587265134033
Energy: 0.6339250604834822
Energy: 0.6215879182598021
Energy: 0.6343142001419639
Energy: 0.6519724061462717
Energy: 0.6065984905909113
Energy: 0.6056942146600715
Energy: 0.6345088755885123
Energy: 0.6407088443463991
Energy: 0.6006188856374279
Energy: 0.697911795353684
Energy: 0.6222708831503431
Energy: 0.6541944279531169
Energy: 0.6309672718208806
Energy: 0.6220841583994365
Energy: 0.6325451339504581
Energy: 0.6309845548591023
Energy: 0.6184731192748288
Energy: 0.6090558664801746
Energy: 0.6310424270040313
Energy: 0.6146200485161794
Energy: 0.6131239677091483
Energy: 0.6310530276244823
Energy: 0.6051126080391527
Energy: 0.6040008697354348
Energy: 0.6320862385259137
Energy: 0.619361307721863
Energy: 0.6312134219444386
Energy: 0.6451877770513261
Energy: 0.6279126274407401
Energy: 0.6408261825430472
Energy: 0.645685734103952
Energy: 0.6273360195747238
Energy: 0.6313703139824465
Energy: 0.8520267180118402
Energy: 0.6260648463054898
Energy: 0.6581170622835502
Energy: 0.6412179067432777
Energy: 0.6266815866923346
Energy: 0.6569900500053004
Energy: 0.5995935854238271
Energy: 0.6233920050949125
Energy: 0.6091074873935532
Energy: 0.6181026791503779
Energy: 0.6400552464720628
Energy: 0.609311067463819
Energy: 0.5995867283866718
Energy: 0.6315336636224295
Energy: 0.6315508245171355
Energy: 0.6237586595200283
Energy: 0.6314004867703458
Energy: 0.6194955373734577
Energy: 0.7425974439404598
Energy: 0.6317837415119112
Energy: 0.631381672696371
Energy: 0.6129344190278463
Energy: 0.6318033470599079
Energy: 0.6319735260797172
Energy: 0.7807629664266106
Energy: 0.6288801680115472
Energy: 0.6273694819479113
Energy: 0.6213884569997256
Energy: 0.6275413692308175
Energy: 0.626868065054887
Energy: 0.8390051376119243
Energy: 0.630570218619199
Energy: 0.6323257065816569
Energy: 0.6129738330680431
Energy: 0.6311524181240189
Energy: 0.6331081630921263
Energy: 0.6214286619257735
Energy: 0.6421818834282441
Energy: 0.6437047327136036
Energy: 0.621242261582098
Energy: 0.643941154046821
Energy: 0.6483947984156195
Energy: 0.6213977119888875
Energy: 0.6103084547065042
Energy: 0.6334671286143246
Energy: 0.6217493485629636
Energy: 0.6377448199881142
Energy: 0.6202182630125153
Energy: 0.6201554665011708
Energy: 0.6119106711521044
Energy: 0.6303898400433686
Energy: 0.6200006258685526
Energy: 0.6120865376031179
Energy: 0.6327027123906641
Energy: 0.6832357980912233
Energy: 0.6213280534517539
Energy: 0.6039471593776471
Energy: 0.6194228092911552
Energy: 0.627451164871206
Energy: 0.6186085417263179
Energy: 0.6497310469093185
Energy: 0.6237585657446096
Energy: 0.6212942837347554
Energy: 0.6200287779271249
Energy: 0.6335317088453251
Energy: 0.6228152574330509
Energy: 0.649572997481871
Energy: 0.6240119703925009
Energy: 0.6260659528431404
Energy: 0.6222136467859146
Energy: 0.6224315023274162
Energy: 0.6070334302757683
Energy: 0.6491131150541616
Energy: 0.632706804925992
Energy: 0.6216916841930096
Energy: 0.6294564080600067
Energy: 0.6211993375655408
Energy: 0.6137394812332162
Energy: 0.6862857329509358
Energy: 0.6200473327040394
Energy: 0.6345900970751429
Energy: 0.6229886703081375
Energy: 0.6197472806945389
Energy: 0.6424728278324908
Energy: 0.6851412652891463
Energy: 0.6193619305306975
Energy: 0.6180883504396999
Energy: 0.6229592242129228
Energy: 0.6198193187931814
Energy: 0.5953330121182315
Energy: 0.6489225301047633
Energy: 0.6212893015249679
Energy: 0.6211823390687592
Energy: 0.6297594214167725
Energy: 0.6220737364043801
Energy: 0.6352086534081175
Energy: 0.78490013219898
Energy: 0.6209166208731999
Energy: 0.6450344597154044
Energy: 0.6507314191100052
Energy: 0.6222823821630199
Energy: 0.6733533570868679
Energy: 0.6485170586904366
Energy: 0.6129367968331879
Energy: 0.633891844764042
Energy: 0.6320040929576345
Energy: 0.6136636113043267
Energy: 0.6327367962312442
Energy: 0.628059009247966
Energy: 0.6024442100570371
Energy: 0.6092166711618939
Energy: 0.6284976948750062
Energy: 0.6175288275711452
Energy: 0.6146714656541311
Energy: 0.6320517562692237
Energy: 0.6045475129977869
Energy: 0.604859948429356
Energy: 0.6319768495165192
Energy: 0.6135084897596241
Energy: 0.6310075007483511
Energy: 0.6315275586019164
Energy: 0.6242887304575955
Energy: 0.6569461610281048
Energy: 0.6317125867335764
Energy: 0.6256237304309162
Energy: 0.6460457614724827
Energy: 0.6436285244392567
Energy: 0.6279027755742221
Energy: 0.6425404024937117
Energy: 0.6341122302277452
Energy: 0.6278659413160498
Energy: 0.604623820683994
Energy: 0.5996477010466225
Energy: 0.6260212379050085
Energy: 0.6407598161583202
Energy: 0.6230909098172394
Energy: 0.6262369410648169
Energy: 0.6583774422558408
Energy: 0.9851148700546754
Energy: 0.6303856007401835
Energy: 0.6302625200522471
Energy: 0.6162263509930698
Energy: 0.6303845585348027
Energy: 0.6086408792482694
Energy: 0.8383918300013788
Energy: 0.631708701144917
Energy: 0.6313502272538081
Energy: 0.6398883265770582
Energy: 0.6328867265353759
Energy: 0.6481702610084776
Energy: 0.646960725873909
Energy: 0.6313856364039422
Energy: 0.6314133657005282
Energy: 0.6247868906666064
Energy: 0.6312471912415047
Energy: 0.6160671179648356
Energy: 0.6435771731277093
Energy: 0.6307750804188295
Energy: 0.626891081818663
Energy: 0.6270796070989213
Energy: 0.631250324033516
Energy: 0.6321986559647864
Energy: 0.7423391159383183
Energy: 0.6375062929779959
Energy: 0.6548384106197275
Energy: 0.6421200499345578
Energy: 0.6392578457388275
Energy: 0.5989460286582199
Energy: 0.6215115124632957
Energy: 0.636033106579265
Energy: 0.6263252645873256
Energy: 0.6213241460786496
Energy: 0.6346631237955654
Energy: 0.6193232106487785
Energy: 0.6201886143145967
Energy: 0.6212317994924152
Energy: 0.6208140920232372
Energy: 0.6202056497757888
Energy: 0.621699329966836
Energy: 0.6145251854655881
Energy: 0.6124420726114883
Energy: 0.6149344448172019
Energy: 0.6115987866934519
Energy: 0.612357545138691
Energy: 0.628703102102432
Energy: 0.6260968346582856
Energy: 0.6490526207205544
Energy: 0.6211210148135152
Energy: 0.6203154191055827
Energy: 0.6200663352786471
Energy: 0.6212063827513054
Energy: 0.6133678535133051
Energy: 0.6490453424500371
Energy: 0.6235262506631271
Energy: 0.6162552035586433
Energy: 0.6221917803579579
Energy: 0.6244539670749528
Energy: 0.6242422631340175
Energy: 0.6504220960344972
Energy: 0.6244383136156028
Energy: 0.6258399680811543
Energy: 0.619921188309144
Energy: 0.6232828789047723
Energy: 0.6152126857993695
Energy: 0.6858490418757746
Energy: 0.619510811954993
Energy: 0.6351085492793994
Energy: 0.6229807786974225
Energy: 0.6192973444274775
Energy: 0.5954048715264144

minimum gb energy = 0.5953330121182315 eV
minimum distance =  2.33350440978813 Angstroms
sigma value = 57


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

Energy: 0.5790252981094973
Energy: 0.5374830941119546
Energy: 0.3389221388803897
Energy: 0.3201457486549333
Energy: 0.5302017206514541
Energy: 0.5488757090822087
Energy: 0.49648962248753054
Energy: 0.5600045564604621
Energy: 0.547273643944212
Energy: 0.5577036918959906
Energy: 0.5506691200912276
Energy: 0.5285564135094495
Energy: 0.6970223717208863
Energy: 0.6641131086519773
Energy: 0.5285018320873989
Energy: 0.5276454509657468
Energy: 0.5304273350067148
Energy: 0.6567911507323599
Energy: 0.6972884405622167
Energy: 0.6759249252724916
Energy: 0.6566305857408984
Energy: 0.6410024845514396
Energy: 0.6654967751781176
Energy: 0.6557905517226559
Energy: 0.6969507142351041
Energy: 0.4456520044901413
Energy: 0.4436588661629249
Energy: 0.6546194370814888
Energy: 0.3199277395473881
Energy: 0.6507785137408829
Energy: 0.6330184875488613
Energy: 0.4492484626192736
Energy: 0.45226642621327606
Energy: 0.6339372708982179
Energy: 0.31990823966808274
Energy: 0.33865109936059895
Energy: 0.6567049811949559
Energy: 0.6622225153572058
Energy: 0.6599112789447878
Energy: 0.6563063354458997
Energy: 0.659494991133997
Energy: 0.6517677870468291
Energy: 0.7709550431021889
Energy: 0.7381840829880091
Energy: 0.7624448531744349
Energy: 0.6660049744877566
Energy: 0.6648485453367847
Energy: 0.6599357325529701
Energy: 0.7492177253510373
Energy: 0.7552069434765657
Energy: 0.749781675106402
Energy: 0.7461587151236003
Energy: 0.7650942013169615
Energy: 0.74469276993242
Energy: 0.31937860851372235
Energy: 0.7692591788914882
Energy: 0.321554410687756
Energy: 0.31971730010725646
Energy: 0.6756460056017962
Energy: 0.3437839453785257
Energy: 0.31932367243429116
Energy: 0.7635995152530579
Energy: 0.7689537017631642
Energy: 0.31968537609746533
Energy: 0.7474211897733708
Energy: 0.3212091902736055
Energy: 0.7453489250560194
Energy: 0.7501881382599234
Energy: 0.7546503827853278
Energy: 0.7452925327601948
Energy: 0.7503966769729234
Energy: 0.7426308142536995
Energy: 0.6817913959230307
Energy: 0.6707559609353198
Energy: 0.6827332434107661
Energy: 0.6826535435612708
Energy: 0.7807344605482537
Energy: 0.7528495552332615
Energy: 0.6786498628443578
Energy: 0.6564730624024816
Energy: 0.6639962939444033
Energy: 0.6556359267297718
Energy: 0.6539506386104257
Energy: 0.6525020642701176
Energy: 0.6752870702680696
Energy: 0.326618987936786
Energy: 0.31990434727169
Energy: 0.6655563432438829
Energy: 0.44875021851718316
Energy: 0.4439182987494159
Energy: 0.6717568085739817
Energy: 0.6486962371778053
Energy: 0.6548536967438832
Energy: 0.6400341396556548
Energy: 0.4480907989208828
Energy: 0.6508751568236925
Energy: 0.6730627812908403
Energy: 0.6623181402277851
Energy: 0.6522457751164237
Energy: 0.6517636459790289
Energy: 0.5571400645606408
Energy: 0.6377026917607522
Energy: 0.697167791556698
Energy: 0.5609390042913112
Energy: 0.5312650357698443
Energy: 0.5300233216361416
Energy: 0.5583175351901254
Energy: 0.6508623306326474
Energy: 0.5460550227864517
Energy: 0.5612122218231457
Energy: 0.5540545641553921
Energy: 0.3196709735383314
Energy: 0.554375947008588
Energy: 0.5539599183066656

minimum gb energy = 0.31932367243429116 eV
minimum distance =  2.33497566396084 Angstroms
sigma value = 11


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

Energy: 1.1900043016834982
Energy: 0.5403237351085123
Energy: 0.5891447821641126
Energy: 0.5549443235014224
Energy: 0.6323633824388403
Energy: 0.5920268846218076
Energy: 0.5454274821277508
Energy: 0.5405595600941463
Energy: 0.5435983944074548
Energy: 0.5385107901391297
Energy: 0.5368421459301886
Energy: 0.547051808553474
Energy: 0.5315038887251982
Energy: 0.53773581627027
Energy: 0.5392603697744016
Energy: 0.5321846997208728
Energy: 0.5368665682853905
Energy: 0.5315552529960094
Energy: 0.5316906294451226
Energy: 0.5467085725307329
Energy: 0.547906126025422
Energy: 0.5324838147144605
Energy: 0.5341454188228363
Energy: 0.5395468408461973
Energy: 0.5318762325544607
Energy: 0.5911768900991514
Energy: 0.5901075878038404
Energy: 0.5361246370933861
Energy: 0.5439422172528838
Energy: 0.5372319750208656
Energy: 0.5694192202492003
Energy: 0.5719490326032495
Energy: 0.565766142562156
Energy: 0.547223505605735
Energy: 0.5369481955478587
Energy: 0.5899207802815045
Energy: 0.5673361778938347
Energy: 0.5404390085892452
Energy: 0.5376345892201672
Energy: 0.5319562676270592
Energy: 0.5380979897750423
Energy: 0.535492956290075
Energy: 0.5535602605373403
Energy: 0.5314827580581278
Energy: 0.5342884900492497
Energy: 0.5562918383542784
Energy: 0.5313773149149814
Energy: 0.5374196528378026
Energy: 0.5694583250226533
Energy: 0.5594503149335044
Energy: 0.5736497092644764
Energy: 0.5450025898906982
Energy: 0.5303107952334883
Energy: 0.5710015080309431
Energy: 0.6044181001880018
Energy: 0.5590698518843847
Energy: 0.5905726263416221
Energy: 0.5303386839124264
Energy: 0.5694746271939216
Energy: 0.5693522483328946
Energy: 0.6024903734207127
Energy: 0.5620651693008821
Energy: 0.5926693369859667
Energy: 0.5650529289159979
Energy: 0.5609809271728048
Energy: 0.5913401753319824
Energy: 0.5672061754346538
Energy: 0.5212958969133489
Energy: 0.5305508585856091
Energy: 0.5556831381305427
Energy: 0.518266002352044
Energy: 0.54476730394702
Energy: 0.6086724185756048
Energy: 0.5225239708232616
Energy: 0.5509724235294491
Energy: 0.5381360469100458
Energy: 0.5189660830747341
Energy: 0.5457746839139369
Energy: 0.6036445773233493
Energy: 0.5914456072108242
Energy: 0.5917437514756885
Energy: 0.5396404411075262
Energy: 0.5891230437802476
Energy: 0.5910943692757454
Energy: 0.6072188805806309
Energy: 0.5527130587494244
Energy: 0.5528592310004505
Energy: 0.5459396508570008
Energy: 0.545501108473484
Energy: 0.5632826790986262
Energy: 0.7453916727543669
Energy: 0.5909461395987581
Energy: 0.5911712099116577
Energy: 0.5876013061546591
Energy: 0.5927742299283917
Energy: 0.5923448217210768
Energy: 0.5980344594571175
Energy: 0.5687711593662751
Energy: 0.5377818919406453
Energy: 0.5214282803535505
Energy: 0.5706895770409149
Energy: 0.5268861610869466
Energy: 0.911031309808567
Energy: 0.5595835805768684
Energy: 0.5934614983289315
Energy: 0.5415371341036759
Energy: 0.557893151462165
Energy: 0.5923807378125604
Energy: 0.7504369848346635
Energy: 0.5398424839643436
Energy: 0.5753512086998489
Energy: 0.5292852413446881
Energy: 0.540195034056392
Energy: 0.5694535019660592
Energy: 0.5751486541102269
Energy: 0.5459481314698009
Energy: 0.5369106957665334
Energy: 0.5362174812420977
Energy: 0.5424798760545576
Energy: 0.5399078864509098
Energy: 0.7454707049539313
Energy: 0.5925174735197127
Energy: 0.5614047477451157
Energy: 0.5549148641399443
Energy: 0.5892993992132176
Energy: 0.5657665595177127
Energy: 0.5656627153789164
Energy: 0.5479414663189963
Energy: 0.537317843274384
Energy: 0.7292547906964804
Energy: 0.5530527233807435
Energy: 0.597629685425985
Energy: 0.5307347330098116
Energy: 0.5745210265238432
Energy: 0.5605143222981228
Energy: 0.5320591759694252
Energy: 0.5731756421700733
Energy: 0.5666864390571072
Energy: 0.5307442390967283
Energy: 0.5363658493630693
Energy: 0.5321868826192301
Energy: 0.5307948037350415
Energy: 0.5348958919380132
Energy: 0.5375500371325672
Energy: 0.5316259155189047
Energy: 0.5353750318436854
Energy: 0.548129619261426
Energy: 0.5342245397988787
Energy: 0.532918070833951
Energy: 0.5396060463734319
Energy: 0.597385453942644
Energy: 0.541521352195104
Energy: 0.5707760685204359
Energy: 0.5384320014572082
Energy: 0.5439584466919054
Energy: 0.5906047645777699

minimum gb energy = 0.518266002352044 eV
minimum distance =  2.33483045923683 Angstroms
sigma value = 41


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

Energy: 1.1350771832183573
Energy: 0.5733519191478225
Energy: 0.6372751008067109
Energy: 0.5554237120418156
Energy: 0.6828633291802787
Energy: 0.6354841044292159
Energy: 0.5842613615581197
Energy: 0.5876732434231986
Energy: 0.5881428261528432
Energy: 0.5725100861493891
Energy: 0.5723033132008186
Energy: 0.5697914424304831
Energy: 0.5720411604815947
Energy: 0.5725896101066963
Energy: 0.5711309590387071
Energy: 0.5722254095361915
Energy: 0.5768934220890455
Energy: 0.570994440878718
Energy: 0.5719547424490006
Energy: 0.5822203884601207
Energy: 0.5804257331415313
Energy: 0.5724002157826699
Energy: 0.5756999032070703
Energy: 0.5721303541047299
Energy: 0.5721628142515226
Energy: 0.5908779335472388
Energy: 0.5906735993451595
Energy: 0.5891803519079402
Energy: 0.5946649966273464
Energy: 0.5814438300095245
Energy: 0.6305602076881742
Energy: 0.5805037361985562
Energy: 0.5806695331072922
Energy: 0.5909346155001027
Energy: 0.5796377356218212
Energy: 0.587890488528898
Energy: 0.6301415704144094
Energy: 0.5762900337963938
Energy: 0.5809570524599452
Energy: 0.5732525693866402
Energy: 0.5882284920287173
Energy: 0.5797657630144434
Energy: 0.5922900248184356
Energy: 0.5727306221545738
Energy: 0.5726291073043577
Energy: 0.5502590451931173
Energy: 0.5727279814751766
Energy: 0.5591815922697122
Energy: 0.8017992871544419
Energy: 0.5805965185498662
Energy: 0.5796274184027054
Energy: 0.585839217530628
Energy: 0.5764549324795337
Energy: 0.5802235932319871
Energy: 0.6302000738956088
Energy: 0.5887517637685044
Energy: 0.5888770872159091
Energy: 0.571678481138668
Energy: 0.5859460952717542
Energy: 0.5809227324884492
Energy: 0.6310184257651714
Energy: 0.5881649992206771
Energy: 0.5806935606708395
Energy: 0.5754171700977454
Energy: 0.590007238518659
Energy: 0.5802580272206476
Energy: 0.6297874782963844
Energy: 0.5684323598662809
Energy: 0.5491376967841133
Energy: 0.5860754268457163
Energy: 0.5534225269337459
Energy: 0.5799525220426606
Energy: 0.5729112534421862
Energy: 0.548822728756773
Energy: 0.5493235382076622
Energy: 0.5846721036682692
Energy: 0.5488749258145194
Energy: 0.5502331386501308
Energy: 0.6310008506010883
Energy: 0.5880998099212232
Energy: 0.5810059363903899
Energy: 0.5766409167500322
Energy: 0.5877969654633826
Energy: 0.5800050522438408
Energy: 0.5930815239846637
Energy: 0.576458361366738
Energy: 0.5949866231447175
Energy: 0.593201202420262
Energy: 0.5769291783085032
Energy: 0.5937777285088545
Energy: 0.5711889749610699
Energy: 0.589813981623101
Energy: 0.5800146156228767
Energy: 0.5890254219012758
Energy: 0.5726539809341883
Energy: 0.5712721857988268
Energy: 0.6664854816542519
Energy: 0.584182951315517
Energy: 0.5726167502099054
Energy: 0.5513793725119416
Energy: 0.5996664307916295
Energy: 0.5516302663041178
Energy: 0.5930105547869859
Energy: 0.5887764198323497
Energy: 0.5893394668592642
Energy: 0.560987086036221
Energy: 0.5854995993187538
Energy: 0.6248945099747654
Energy: 0.5716493590708668
Energy: 0.5765453269567582
Energy: 0.572996545592648
Energy: 0.5722867586399026
Energy: 0.5728966582084165
Energy: 0.5713305758473496
Energy: 0.5720329872520997
Energy: 0.5723702866742103
Energy: 0.5706258021952271
Energy: 0.5721213987766816
Energy: 0.5767520723535452
Energy: 0.5721506359968207
Energy: 0.5715760377759642
Energy: 0.5720329691771876
Energy: 0.5697642602278887
Energy: 0.5720930084751823
Energy: 0.5767604429578288
Energy: 0.5698587401173861
Energy: 0.8767588457980244
Energy: 0.5920391557448044
Energy: 0.5897117707788084
Energy: 0.7132490376713925
Energy: 0.5782092287080657
Energy: 0.5898867369850861
Energy: 0.6296807455537257
Energy: 0.5712835172288453
Energy: 0.5710620065143787
Energy: 0.5879575227009446
Energy: 0.575996105265465
Energy: 0.5798439303397638
Energy: 0.5923998956478048
Energy: 0.5776086041434503
Energy: 0.5835110340848393
Energy: 0.5966460109074998
Energy: 0.5726324831268959
Energy: 0.5603774954461453
Energy: 0.6302476241159066
Energy: 0.5761294891450127
Energy: 0.5806659792102223
Energy: 0.5846690100343769
Energy: 0.5771360847765558
Energy: 0.5804134845481649
Energy: 0.6304814227723895
Energy: 0.5888002801340637
Energy: 0.582556456238926
Energy: 0.5765147517615329
Energy: 0.5856970571533183
Energy: 0.5806924294712921
Energy: 0.6302520031876095
Energy: 0.5880050354057446
Energy: 0.5885533959465413
Energy: 0.5718295299199334
Energy: 0.5857052090923808
Energy: 0.5804063526553719
Energy: 0.8019531451238068
Energy: 0.5838326371469379
Energy: 0.6314135438748206
Energy: 0.5892141049178958
Energy: 0.5700794514056249
Energy: 0.5876731354635533
Energy: 0.5727870990010151
Energy: 0.5493932883126663
Energy: 0.5493159775215847
Energy: 0.5892815385724715
Energy: 0.5490120410886787
Energy: 0.597833758291696
Energy: 0.6329976725950154
Energy: 0.5880738157757652
Energy: 0.6314524129145973
Energy: 0.5769818890170941
Energy: 0.5879204103116159
Energy: 0.5908025871810654
Energy: 0.5712696705510327
Energy: 0.5710090035154043
Energy: 0.5698266689444008
Energy: 0.5713786102231229
Energy: 0.5767058703418824
Energy: 0.5784909713799807
Energy: 0.5711730317781869
Energy: 0.591034483492474
Energy: 0.5760703681085829
Energy: 0.5790553096948018
Energy: 0.5751754973147458
Energy: 0.5719669161867156
Energy: 0.6660219634913102
Energy: 0.5879992188068409
Energy: 0.5729245550862051
Energy: 0.5545113085023748
Energy: 0.5895563262228378
Energy: 0.5727688752456063

minimum gb energy = 0.548822728756773 eV
minimum distance =  2.35128241578837 Angstroms
sigma value = 33


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

Energy: 0.7331291304154991
Energy: 0.6064577107136713
Energy: 0.6068313912507702
Energy: 0.6026120339810882
Energy: 0.6671946043523156
Energy: 0.6069960063448291
Energy: 0.630990094187
Energy: 0.6235390053475804
Energy: 0.6226931521650008
Energy: 0.6210521448217078
Energy: 0.620220476614079
Energy: 0.6046315149724552
Energy: 0.6287240498321305
Energy: 0.6055081259436811
Energy: 0.6062326238582222
Energy: 0.6309095325246434
Energy: 0.6054232748580507
Energy: 0.6093793588480727
Energy: 0.6236376086466315
Energy: 0.6059192955654777
Energy: 0.6069918197517988
Energy: 0.6247432047608178
Energy: 0.6088033191752481
Energy: 0.6068308585570443
Energy: 0.6215888514325544
Energy: 0.6078307049596628
Energy: 0.5890165061940953
Energy: 0.6226343425919785
Energy: 0.6246475497821125
Energy: 0.5885218560131942
Energy: 0.6492988131769146
Energy: 0.6084135656241237
Energy: 0.6074924345574754
Energy: 0.6194198057454803
Energy: 0.6119509086545137
Energy: 0.6088927839274486
Energy: 0.6490563731350797
Energy: 0.5899772754907474
Energy: 0.606155670385562
Energy: 0.6196955455851234
Energy: 0.6288910142103068
Energy: 0.6083300613816933
Energy: 0.6464228138166066
Energy: 0.648358065036351
Energy: 0.6029875505168185
Energy: 0.5877317242510368
Energy: 0.6472900282042214
Energy: 0.6039210518312003
Energy: 0.6476461980895365
Energy: 0.5888289807203546
Energy: 0.5886322164923985
Energy: 0.6633516168665712
Energy: 0.5900757749563909
Energy: 0.5909783865737873
Energy: 0.6987955441249233
Energy: 0.6064497112679331
Energy: 0.6090758021700267
Energy: 0.6079761946768157
Energy: 0.6050484823416746
Energy: 0.6101150982227188
Energy: 0.6507773837600742
Energy: 0.6076525105923206
Energy: 0.606982473577983
Energy: 0.6224994835640042
Energy: 0.6223045774420916
Energy: 0.6058465531949884
Energy: 0.6518002218908507
Energy: 0.5870844748531721
Energy: 0.5866527794409954
Energy: 0.6343354365509937
Energy: 0.5928270713050481
Energy: 0.5869187904123097
Energy: 0.659728835818774
Energy: 0.5869789854162313
Energy: 0.586691492734941
Energy: 0.6347259501402097
Energy: 0.5945139296041201
Energy: 0.5867562282352644
Energy: 0.6191463108396893
Energy: 0.6072556136483895
Energy: 0.6055802020863623
Energy: 0.6203148517360559
Energy: 0.6081456397182952
Energy: 0.6051518343343223
Energy: 0.5877402961726099
Energy: 0.6042379376445826
Energy: 0.6045903661770302
Energy: 0.6047547229785734
Energy: 0.6043091483489447
Energy: 0.6044339642490109
Energy: 0.6185291358723097
Energy: 0.6220788569042535
Energy: 0.6039059147618441
Energy: 0.6447179080773531
Energy: 0.6198539531663307
Energy: 0.605349162205244
Energy: 0.6504963306316246
Energy: 0.6345207376066111
Energy: 0.6073221941394434
Energy: 0.6228178627876592
Energy: 0.6342473224305011
Energy: 0.611903653084118
Energy: 0.6498329513721904
Energy: 0.6327947067317925
Energy: 0.5884020303175237
Energy: 0.6209123765537895
Energy: 0.6515157828627294
Energy: 0.5890428003900775
Energy: 0.6220786123682952
Energy: 0.5883020851711672
Energy: 0.5890422895720551
Energy: 0.6063154839621029
Energy: 0.6508507641230868
Energy: 0.6071706230212054
Energy: 0.5917013202552561
Energy: 0.5887623061217769
Energy: 0.5874527972208385
Energy: 0.6097127390077945
Energy: 0.6471099121125056
Energy: 0.6078779615047485
Energy: 0.5894586687909735
Energy: 0.5885331757199816
Energy: 0.5884878651392355
Energy: 0.5901329721726748
Energy: 0.6054160078370515
Energy: 0.5883358825131362
Energy: 0.6502457579465143
Energy: 0.6097588426042707
Energy: 0.6100548116548609
Energy: 0.6505384657226924
Energy: 0.6117721059995463
Energy: 0.6070193529022408
Energy: 0.6189742327654708
Energy: 0.6224867145968165
Energy: 0.6043748972560175
Energy: 0.5899653350804402
Energy: 0.6381356622123363
Energy: 0.5918218552329709
Energy: 0.6501015827141647
Energy: 0.6130865979509558
Energy: 0.5880897168173889
Energy: 0.5871474303008788
Energy: 0.694368417915088
Energy: 0.5873508138413723
Energy: 0.6496390281061173
Energy: 0.6245343263542867
Energy: 0.6048856122013825
Energy: 0.608231687903191
Energy: 0.6216309060203743
Energy: 0.6221238393370174
Energy: 0.6244325258829391
Energy: 0.6066480401012014
Energy: 0.6090438850524468
Energy: 0.6260255735133847
Energy: 0.6061557463953997
Energy: 0.6100675546648889
Energy: 0.6279626790245069
Energy: 0.6078300113316825
Energy: 0.6063977907665432
Energy: 0.6292960808012947
Energy: 0.6238992232262962
Energy: 0.6081987147667219
Energy: 0.6197517389363466
Energy: 0.594297452073343
Energy: 0.5903115253426556
Energy: 0.6204524843783393
Energy: 0.6237498909914556
Energy: 0.6043136065335902
Energy: 0.6537407385329215
Energy: 0.6100797601431297
Energy: 0.6102371184102257
Energy: 0.6853981527839255
Energy: 0.6113034062845157
Energy: 0.6112359878942446
Energy: 0.6474380950609253
Energy: 0.6124402489977876
Energy: 0.5905327844549879
Energy: 0.6190103407615215
Energy: 0.6086841720892546
Energy: 0.6046323086008532
Energy: 0.6468777863979613
Energy: 0.6075494579724195
Energy: 0.602917397940977
Energy: 0.5876668624226673
Energy: 0.6075726459819101
Energy: 0.6023083393263671
Energy: 0.6490375206185516
Energy: 0.6112739663600881
Energy: 0.5893488301667065
Energy: 0.6210658034189859
Energy: 0.5910291421195614
Energy: 0.589299405870763
Energy: 0.6505253666594709
Energy: 0.6072850474827507
Energy: 0.6082131968206609
Energy: 0.6276678948918574
Energy: 0.6059673921314689
Energy: 0.6083046054411596
Energy: 0.6491524400588722
Energy: 0.608022395448277
Energy: 0.6083837482798915
Energy: 0.6258899252115946
Energy: 0.6254988217020911
Energy: 0.6077101371595545
Energy: 0.6491313398866354
Energy: 0.5943004907239102
Energy: 0.5867888606825505
Energy: 0.653174674804974
Energy: 0.6105142941017351
Energy: 0.5885412118611577
Energy: 0.6540366682712238
Energy: 0.5868072167691507
Energy: 0.587115173900957
Energy: 0.6547597270509066
Energy: 0.5871501903668044
Energy: 0.5872506329256466
Energy: 0.6179435075157592
Energy: 0.6194062260932812
Energy: 0.6046091801598779
Energy: 0.6190239428835976
Energy: 0.6082417038288827
Energy: 0.6044169674275339
Energy: 0.6205658263363173
Energy: 0.604448287589634
Energy: 0.6049794081457438
Energy: 0.6225361602487784
Energy: 0.6046248188213366
Energy: 0.6054813405224521
Energy: 0.6184309090999126
Energy: 0.6213454791910299
Energy: 0.6045530623915866
Energy: 0.6278004740795677
Energy: 0.6208848448289553
Energy: 0.6045552202332846
Energy: 0.6993819513875824
Energy: 0.6344131714750528
Energy: 0.5888720991252302
Energy: 0.6291909796108562
Energy: 0.6200990788154057
Energy: 0.6105460178095319
Energy: 0.7018752480943052
Energy: 0.6342753935640909
Energy: 0.5888309154867446
Energy: 0.62346357886225
Energy: 0.6350553984457515
Energy: 0.5885798410296619
Energy: 0.6196846914426412
Energy: 0.5892474599884373
Energy: 0.5880678046393008
Energy: 0.6251356168517742
Energy: 0.657610194483493
Energy: 0.6059446043734774
Energy: 0.6267638128979593
Energy: 0.5874534667741454
Energy: 0.5885987541852734
Energy: 0.6225791819817323
Energy: 0.5895813252418546
Energy: 0.5884438328839223
Energy: 0.588578098396595
Energy: 0.588648278442159
Energy: 0.5896568908368259
Energy: 0.5892362280963149
Energy: 0.6178068892400309
Energy: 0.5890825782354424
Energy: 0.6478042495078096
Energy: 0.6096424790857856
Energy: 0.6209685056312696
Energy: 0.6485445505990795
Energy: 0.6119672540614117
Energy: 0.6225895262028511
Energy: 0.6181373264268667
Energy: 0.62328780781605
Energy: 0.6044070572651475
Energy: 0.6272453259942522
Energy: 0.6393939515049273
Energy: 0.6050465525826232
Energy: 0.7464729677260005
Energy: 0.5882098797212263
Energy: 0.5873546442453785
Energy: 0.5868607863701624
Energy: 0.6422206694381494
Energy: 0.5870478659254387

minimum gb energy = 0.5866527794409954 eV
minimum distance =  2.34020289063455 Angstroms
sigma value = 67


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

Energy: 0.8413136135175364
Energy: 0.640234148808723
Energy: 0.6405022418848761
Energy: 0.6561144157205206
Energy: 0.6726096781387529
Energy: 0.6403653530262595
Energy: 0.6963697460117629
Energy: 0.6323469771804076
Energy: 0.6326233405535407
Energy: 0.6321410023342275
Energy: 0.6357256946222974
Energy: 0.6320885061833232
Energy: 0.6567207902022946
Energy: 0.6105183905225631
Energy: 0.6325600969661187
Energy: 0.632142515546064
Energy: 0.6092306908823681
Energy: 0.6322677971222597
Energy: 0.6580800797185065
Energy: 0.6324659985708003
Energy: 0.631867371059224
Energy: 0.6567765691002625
Energy: 0.6317100194527819
Energy: 0.6318800098551782
Energy: 0.6552169805799044
Energy: 0.6337998821342016
Energy: 0.6349119148351465
Energy: 0.6557652285625889
Energy: 0.6333218127773558
Energy: 0.6356737200092126
Energy: 0.6572002645244159
Energy: 0.6390091345996703
Energy: 0.6354724714842502
Energy: 0.6573625351588892
Energy: 0.6377798669765387
Energy: 0.6353403262848452
Energy: 0.696089555251246
Energy: 0.632765085515159
Energy: 0.6328742285266523
Energy: 0.6767145696154332
Energy: 0.6588305319567823
Energy: 0.6324680694758271

minimum gb energy = 0.6092306908823681 eV
minimum distance =  2.38591406226934 Angstroms
sigma value = 3


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

Energy: 1.1313572524553002
Energy: 0.8089495393996992
Energy: 0.719146882009269
Energy: 0.702372805649118
Energy: 1.1409109005000135
Energy: 0.7505468948964102
Energy: 0.7418603875182034
Energy: 0.6959450845893485
Energy: 0.6949816948642651
Energy: 0.7132558696590484
Energy: 0.7402737049306695
Energy: 0.6954253607946593
Energy: 0.7398593325419277
Energy: 0.7245545261724612
Energy: 0.7248308784271443
Energy: 0.7012812788465859
Energy: 0.72429785785877
Energy: 0.7715582132001975
Energy: 0.7630183031738227
Energy: 0.6989578977370715
Energy: 0.697041509505294
Energy: 0.7006945206644429
Energy: 0.7251058373369832
Energy: 0.6988704922754317
Energy: 0.7436427029066978
Energy: 0.6975814398648543
Energy: 0.697885831465471
Energy: 0.703822335561386
Energy: 0.7619334221645033
Energy: 0.6976794602566578
Energy: 0.7362699580276091
Energy: 0.7375659952092096
Energy: 0.7386538523958385
Energy: 0.700704352368932
Energy: 0.7591083936929773
Energy: 0.7383118762181498
Energy: 0.7374886457172042
Energy: 0.7216603953199191
Energy: 0.7161155256594093
Energy: 0.7390210457206382
Energy: 0.7361751617935789
Energy: 0.758911543002529
Energy: 0.8436078431922015
Energy: 0.7893434290868682
Energy: 0.7406942240002975
Energy: 0.7164130987759549
Energy: 0.7855575676965305
Energy: 0.7924241297419015
Energy: 0.737801966434035
Energy: 0.7382458561804099
Energy: 0.7594353921383424
Energy: 0.7575436279420364
Energy: 0.7416011186522992
Energy: 0.7554605687968117
Energy: 0.738673696111891
Energy: 0.7179177286245736
Energy: 0.7117247876033632
Energy: 0.7786157070699744
Energy: 0.7361725365939538
Energy: 0.7310823212167066
Energy: 0.7794512695506024
Energy: 0.7436463718701666
Energy: 0.7415333684990055
Energy: 0.7803649177352836
Energy: 0.709510760194863
Energy: 0.780764261614821
Energy: 0.7909370695411636
Energy: 0.7376802171859922
Energy: 0.7367064736818838
Energy: 0.7693271414079765
Energy: 0.7329628733085956
Energy: 0.7362482909569235
Energy: 0.7414090495252382
Energy: 0.7342466064082028
Energy: 0.73337167164756
Energy: 0.7202788714393282
Energy: 0.7340098821295263
Energy: 0.7331333434266242
Energy: 0.7747504909407763
Energy: 0.7377411490058241
Energy: 0.7333953994799524
Energy: 0.7691754104996515
Energy: 0.7342974924976746
Energy: 0.733093941524377
Energy: 0.7771112639657913
Energy: 0.7421968907675017
Energy: 0.7633649992754898
Energy: 0.7137686703028555
Energy: 0.7423546976754095
Energy: 0.7378236509472891
Energy: 0.8434244153782294
Energy: 0.7763201406386115
Energy: 0.7678397734806713
Energy: 0.7692169822050912
Energy: 0.7720080278324077
Energy: 0.737774722137206
Energy: 0.8583332001317842
Energy: 0.7219840616705361
Energy: 0.721381195414842
Energy: 0.8588635962103369
Energy: 0.7259299214354482
Energy: 0.7519321370103269
Energy: 0.7422215329458042
Energy: 0.7492765453700377
Energy: 0.7487808722893606
Energy: 0.7495394800128842
Energy: 0.7483911519137617
Energy: 0.7489446019847321
Energy: 0.8696199493046612
Energy: 0.741127571748404
Energy: 0.7405145314006029
Energy: 0.7094305256845318
Energy: 0.7632379677475664
Energy: 0.7329424325686512
Energy: 0.8113758564260223
Energy: 0.7642411917975968
Energy: 0.7655796815756113
Energy: 0.717671673721446
Energy: 0.7670733854895903
Energy: 0.7404536780533717
Energy: 0.7527403792492362
Energy: 0.7497822356126753
Energy: 0.7505060025974851
Energy: 0.7601075903595423
Energy: 0.7517530536561305
Energy: 0.7610545074225339
Energy: 0.7410795421655458
Energy: 0.7468971085448669
Energy: 0.7475541752803342
Energy: 0.7459464232216801
Energy: 0.7461398909652875
Energy: 0.7455789539608628
Energy: 0.7436947888245429
Energy: 0.7465098371484087
Energy: 0.7576763154938989
Energy: 0.7441527971806909
Energy: 0.7557465072778918
Energy: 0.7567740288989295
Energy: 0.7461759308011352
Energy: 0.716829652227726
Energy: 0.7145733178303627
Energy: 0.7462652144217747
Energy: 0.7156894977048881
Energy: 0.7525179650963184
Energy: 0.7361569774903407
Energy: 0.7561857774096478
Energy: 0.7679052437838405
Energy: 0.7764515322004175
Energy: 0.7616598491544085
Energy: 0.7678548026938555
Energy: 0.8352766052365477
Energy: 0.812716280539678
Energy: 0.7082370951083173
Energy: 0.6996634385101248
Energy: 0.8569339126241096
Energy: 0.7019470930202812
Energy: 0.6830744449122528
Energy: 0.7596412958252068
Energy: 0.7073463995414626
Energy: 0.7005513713199437
Energy: 0.8285133046768466
Energy: 0.6996850067496663
Energy: 0.7364338288225941
Energy: 0.7660333495655125
Energy: 0.7670201864503625
Energy: 0.7759626090718057
Energy: 0.7613690300768279
Energy: 0.7677259193015072
Energy: 0.7443374809007997
Energy: 0.7246541935675053
Energy: 0.7249170208423594
Energy: 0.7442064479252739
Energy: 0.7245209071528412
Energy: 0.7441285786189892
Energy: 0.7351197171180388
Energy: 0.753674337729789
Energy: 0.7506833174426766
Energy: 0.7366541150234689
Energy: 0.7593122505921016
Energy: 0.750078290382689
Energy: 0.7348937151506527
Energy: 0.7468322339397184
Energy: 0.7457603700296564
Energy: 0.7464967351966205
Energy: 0.7472577849843225
Energy: 0.7465010475061431
Energy: 0.7445141533076209
Energy: 0.7595377565929224
Energy: 0.7611088724838597
Energy: 0.7477794161497386
Energy: 0.7612723978782943
Energy: 0.7373970815433896
Energy: 0.8426145886711532
Energy: 0.7697430290727628
Energy: 0.7682570414512783
Energy: 0.717725136893768
Energy: 0.7924883604429174
Energy: 0.7152200406807488
Energy: 0.7945566613088959
Energy: 0.7402217907018911
Energy: 0.7371567107093399
Energy: 0.722324140720303
Energy: 0.7447692582968897
Energy: 0.7366960439759355
Energy: 0.7510492244755279
Energy: 0.7543009328403592
Energy: 0.7250102798170037
Energy: 0.7414213268068044
Energy: 0.7318381368181319
Energy: 0.7389724191976497
Energy: 0.7924586593657998
Energy: 0.718667406804031
Energy: 0.7131094204774197
Energy: 0.7928674984323212
Energy: 0.726089404606276
Energy: 0.7332161147425904
Energy: 0.800553850335989
Energy: 0.7387767108453913
Energy: 0.7375025905769584
Energy: 0.774412393372301
Energy: 0.7473594054206883
Energy: 0.7652526845025824
Energy: 0.7427002227353661
Energy: 0.7338768240457191
Energy: 0.7378332558634447
Energy: 0.7023471603312518
Energy: 0.7358939960448816
Energy: 0.8184734982401639
Energy: 0.7630971120892495
Energy: 0.7381653106071804
Energy: 0.7321639185254809
Energy: 0.7630858966583522
Energy: 0.7368162689388743
Energy: 0.7314819852675132
Energy: 0.7758413291015417
Energy: 0.7344836232609967
Energy: 0.7345320447871844
Energy: 0.7136634775353661
Energy: 0.7338303789327006
Energy: 0.7355348480512783
Energy: 0.8571344462992642
Energy: 0.7358553291364865
Energy: 0.7355743837334333
Energy: 0.7636855947611166
Energy: 0.7766253814393982
Energy: 0.7353988102295583
Energy: 0.8478348802754785
Energy: 0.7243721726376279
Energy: 0.7508126596457259
Energy: 0.8525767145147514
Energy: 0.7157459222178478
Energy: 0.7665581868259769
Energy: 0.8171603983349985
Energy: 0.7255641775073591
Energy: 0.7183283689617741
Energy: 0.8604325012299034
Energy: 0.7256142030709052
Energy: 0.7474105156423526
Energy: 0.7825078748393
Energy: 0.7740705384437025
Energy: 0.7373182424571303
Energy: 0.7481917423699056
Energy: 0.7716819721405828
Energy: 0.7365950016424917
Energy: 0.9882589495133329
Energy: 0.692669086767524
Energy: 0.7523909500535311
Energy: 0.7478326981426164
Energy: 0.7229651385418518
Energy: 0.7522812832733973
Energy: 0.7408699990614278
Energy: 0.69372658928861
Energy: 0.750818904346163
Energy: 0.7477735936100525
Energy: 0.6911026134584334
Energy: 0.7480684102105923
Energy: 0.7391952554592773
Energy: 0.7437398187910245
Energy: 0.7425908671532514
Energy: 0.7051777941816737
Energy: 0.747748896852213
Energy: 0.7429266615574958
Energy: 0.7475149182099151
Energy: 0.7060436723318934
Energy: 0.7022548720731359
Energy: 0.7095218734611354
Energy: 0.750474081968912
Energy: 0.7033718474915903
Energy: 0.7622912042751074
Energy: 0.7134550271026436
Energy: 0.6930940259216407
Energy: 0.7577189251417028
Energy: 0.7180010410364105
Energy: 0.7108894196136135
Energy: 0.7389840588381067
Energy: 0.7154647255661493
Energy: 0.7157467575617009
Energy: 0.6964368943011124
Energy: 0.7151903602814221
Energy: 0.7053390420126949
Energy: 0.7259246840441828
Energy: 0.7077017781522078
Energy: 0.7022645951079854
Energy: 0.7045617315622669
Energy: 0.7145438807025228
Energy: 0.7095252721284179

minimum gb energy = 0.6830744449122528 eV
minimum distance =  2.34019091867883 Angstroms
sigma value = 81


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

Energy: 1.22645275164928
Energy: 0.6847643245082119
Energy: 0.684763641364482
Energy: 0.6833730935300869
Energy: 0.7182551693574676
Energy: 0.6853002197127536
Energy: 0.6889546743682206
Energy: 0.7020174257835512
Energy: 0.7037895429620712
Energy: 0.6918183692930487
Energy: 0.6723144500568728
Energy: 0.7074123695484286
Energy: 0.6903073569632153
Energy: 0.7026260781074759
Energy: 0.7012510490476112
Energy: 0.7431759676767856
Energy: 0.6908473344597883
Energy: 0.7195049529797296
Energy: 0.6893997176355876
Energy: 0.7026156812934465
Energy: 0.7087187483772913
Energy: 0.6885040759065245
Energy: 0.6855034102313332
Energy: 0.7111544542840248
Energy: 0.6867199331981448
Energy: 0.6992371392938629
Energy: 0.6993499574366459
Energy: 0.6873650922278701
Energy: 0.7026129627542818
Energy: 0.701533462372096
Energy: 0.6887188241125959
Energy: 0.7043271126646066
Energy: 0.7040020195938536
Energy: 0.7047182710109094
Energy: 0.7084405989324378
Energy: 0.7035602268293395
Energy: 0.6782877214751823
Energy: 0.6684931131820059
Energy: 0.6909570843918397
Energy: 0.7302201263532216
Energy: 0.6979234466061027
Energy: 0.7048030618512829
Energy: 0.7881067515463687
Energy: 0.7924210293482153
Energy: 0.7414318704391034
Energy: 0.676611532436876
Energy: 0.7531303039585155
Energy: 0.7125037553418001
Energy: 0.6792477855026233
Energy: 0.6979453089649613
Energy: 0.6897639141066702
Energy: 0.6956402589699815
Energy: 0.6676320910877661
Energy: 0.6686960545046008
Energy: 0.7107210670778585
Energy: 0.64540786723001
Energy: 0.6438418642612525
Energy: 0.7144499695061018
Energy: 0.644223970958776
Energy: 0.6427649995591311
Energy: 0.6852158539447106
Energy: 0.6429327646631411
Energy: 0.6430267754559795
Energy: 0.684861795979405
Energy: 0.6698033768973448
Energy: 0.6906029060385158
Energy: 0.6783701585062487
Energy: 0.7016823014378212
Energy: 0.700120965103922
Energy: 0.6838639147637275
Energy: 0.6999633251485632
Energy: 0.7007385176962091
Energy: 0.6780462541929339
Energy: 0.6678935301925566
Energy: 0.6935931727660035
Energy: 0.6909729437825541
Energy: 0.6977528188847313
Energy: 0.701800429801018
Energy: 0.703138199196932
Energy: 0.7036863144969923
Energy: 0.7065195222066407
Energy: 0.6881614666359908
Energy: 0.7039204963342299
Energy: 0.7064477415760793
Energy: 0.7927238089734152
Energy: 0.7147156615488212
Energy: 0.7100142246395621
Energy: 0.7079584904748184
Energy: 0.7118182688244097
Energy: 0.7107498925549574
Energy: 0.7019247932540178
Energy: 0.7052272412327364
Energy: 0.7064113355232343
Energy: 0.7028856740708895
Energy: 0.7046420168507895
Energy: 0.7057532911500247
Energy: 0.7931100368792905
Energy: 0.6636047046782612
Energy: 0.6819839015941065
Energy: 0.7935213502533586
Energy: 0.6634529462463099
Energy: 0.7071971578684391
Energy: 0.6798013196102637
Energy: 0.684931934791252
Energy: 0.7016637561563548
Energy: 0.6690704290385716
Energy: 0.7162334097730017
Energy: 0.702880209636752
Energy: 0.7658030236116284
Energy: 0.6803295130909095
Energy: 0.643222075928933
Energy: 0.646871251213448
Energy: 0.6901531020624543
Energy: 0.6444100351610311
Energy: 0.8215366704102054
Energy: 0.6788584727422436
Energy: 0.6433564656614016
Energy: 0.6422772529860097
Energy: 0.699614160439014
Energy: 0.6440222295757456
Energy: 0.6799634176914099
Energy: 0.6834544504089081
Energy: 0.7018118755654209
Energy: 0.6691861356736724
Energy: 0.6837663779358891
Energy: 0.7040922803067977
Energy: 0.6980107922436376
Energy: 0.7006424918559843
Energy: 0.7155300447495587
Energy: 0.6981794895601564
Energy: 0.6854816952517314
Energy: 0.7245128939386334
Energy: 0.6972851909760149
Energy: 0.7183575109658997
Energy: 0.7187969300117314
Energy: 0.6981827089980369
Energy: 0.6825752366426657
Energy: 0.7044612720977506
Energy: 0.7054902931564084
Energy: 0.7094909759125118
Energy: 0.7094971100873371
Energy: 0.7102906048119332
Energy: 0.7085791039996804
Energy: 0.7098953615434309
Energy: 0.699573559969654
Energy: 0.7085619655228244
Energy: 0.7078744598868222
Energy: 0.7091674164530966
Energy: 0.723245290090968
Energy: 0.7064282581537242
Energy: 0.7818248328551797
Energy: 0.723115225282659
Energy: 0.7355352578464822
Energy: 0.664279218128867
Energy: 0.7825779423849931
Energy: 0.7344155186554426
Energy: 0.7716447970712478
Energy: 0.7343698368483822
Energy: 0.6979245384514238
Energy: 0.6934758943738353
Energy: 0.7802466366108903
Energy: 0.6985145755605469
Energy: 0.6824229144831447
Energy: 0.6431615952604961
Energy: 0.6681549391961121
Energy: 0.6880997889528739
Energy: 0.6635341133016742
Energy: 0.6911254201072036
Energy: 0.6844485168469057
Energy: 0.6429833395422494
Energy: 0.6430580835682933
Energy: 0.6862423438812078
Energy: 0.6440212210445667
Energy: 0.6443159903622652
Energy: 0.6811548671447012
Energy: 0.6690211939185068
Energy: 0.6935139265756051
Energy: 0.6964544410136112
Energy: 0.6679752812515183
Energy: 0.6685826563811486
Energy: 0.6782927901575575
Energy: 0.7159367771600879
Energy: 0.6914719251563852
Energy: 0.7027771868027964
Energy: 0.7171279589485234
Energy: 0.7024922521259179
Energy: 0.6818516971607623
Energy: 0.6687210765032334
Energy: 0.6688876388029961
Energy: 0.6962158000165708
Energy: 0.6908616184747429
Energy: 0.6931007563339164
Energy: 0.7805995228604745
Energy: 0.6995750280355355
Energy: 0.7011161322751124
Energy: 0.7071500654108318
Energy: 0.6922727991072803
Energy: 0.7011933861524309
Energy: 0.77999718980092
Energy: 0.7048957193773207
Energy: 0.7052804069348368
Energy: 0.7089949126757039
Energy: 0.7032458954511498
Energy: 0.7051243372309082
Energy: 0.7839492453512612
Energy: 0.7034083688389045
Energy: 0.7092417222844964
Energy: 0.689857570225206
Energy: 0.6638874373194736
Energy: 0.7113747369152623
Energy: 0.7739724881401698
Energy: 0.6897319690597286
Energy: 0.6892063336190157
Energy: 0.8489014795674135
Energy: 0.6638974845919059
Energy: 0.7438170856480556
Energy: 0.6863715468882581
Energy: 0.7011681386394039
Energy: 0.7031795629655306
Energy: 0.6911498536229091
Energy: 0.671783032224425
Energy: 0.7075459359844104
Energy: 0.7803220245614224
Energy: 0.7198738990333728
Energy: 0.6891997937634836
Energy: 0.6619162006433792
Energy: 0.7189382129742135
Energy: 0.6812581032824788

minimum gb energy = 0.6422772529860097 eV
minimum distance =  2.36356366086347 Angstroms
sigma value = 43


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

Energy: 1.1812544778146363
Energy: 0.7896647821262374
Energy: 0.7366821625220658
Energy: 0.6962888567704594
Energy: 0.7708446874446953
Energy: 0.6958837161032393
Energy: 0.6622272931389238
Energy: 0.6810173502442187
Energy: 0.6889933468582615
Energy: 0.7001177369383815
Energy: 0.6735028400337789
Energy: 0.6821003413058382
Energy: 0.6774596886182672
Energy: 0.664022778093651
Energy: 0.6639311987154575
Energy: 0.7024462972839555
Energy: 0.6640115324750263
Energy: 0.6738108641783821
Energy: 0.6735187966935597
Energy: 0.6632436756515655
Energy: 0.674013978510127
Energy: 0.6735846839505586
Energy: 0.6624938526240906
Energy: 0.6732016017945207
Energy: 0.6729483614915407
Energy: 0.6981210515912539
Energy: 0.6992078155463769
Energy: 0.6730339333896722
Energy: 0.6981882516056591
Energy: 0.6993197560885153
Energy: 0.6727920841958387
Energy: 0.6983586438184354
Energy: 0.6980564926792824
Energy: 0.6976157670112437
Energy: 0.6819272833583641
Energy: 0.698252350380229
Energy: 0.6736095415554219
Energy: 0.672924813975281
Energy: 0.6728345499630578
Energy: 0.6733732525150451
Energy: 0.6747954807292241
Energy: 0.6823461497122092
Energy: 0.7777118546604236
Energy: 0.6737345152712731
Energy: 0.6739172081517936
Energy: 0.6703256310557059
Energy: 0.6732530553057217
Energy: 0.6736633894192614
Energy: 0.6704277533296769
Energy: 0.6739291031637665
Energy: 0.6736586365614133
Energy: 0.6696058778271464
Energy: 0.6738926299952708
Energy: 0.6733573492040066
Energy: 0.8201771733129848
Energy: 0.6755927947243268
Energy: 0.6753581319094702
Energy: 0.7486783138732862
Energy: 0.6754547817862525
Energy: 0.6752262898159528
Energy: 0.6693039777913661
Energy: 0.6909855906666228
Energy: 0.695147005094348
Energy: 0.6694766814566274
Energy: 0.6785672491130912
Energy: 0.6905037603780247
Energy: 0.6797401686083262
Energy: 0.6734512779250571
Energy: 0.6734962997029361
Energy: 0.6748723819247575
Energy: 0.6736437695527279
Energy: 0.673353424513649
Energy: 0.8106366449739952
Energy: 0.6736442257741236
Energy: 0.6850925121703371
Energy: 0.6654287567884848
Energy: 0.6744598079437153
Energy: 0.6852359433015321
Energy: 0.6693769193861402
Energy: 0.6735546637512829
Energy: 0.7118092451785998
Energy: 0.6697211395838065
Energy: 0.6733406245417362
Energy: 0.7016515201689633
Energy: 0.6686956046024236
Energy: 0.6712110178124465
Energy: 0.6767923499590515
Energy: 0.6761007202060274
Energy: 0.6622028778290057
Energy: 0.6768527752011567
Energy: 0.6697570577044428
Energy: 0.6984350583780812
Energy: 0.6752271600914576
Energy: 0.669634474512488
Energy: 0.6977057302903743
Energy: 0.668576228961421
Energy: 0.6720715161987408
Energy: 0.6853918955040086
Energy: 0.6851413377750937
Energy: 0.6710040950751416
Energy: 0.6704541816031694
Energy: 0.6711359613748401
Energy: 0.6724704616589734
Energy: 0.6766081749132119
Energy: 0.6835716846376357
Energy: 0.6790728147866845
Energy: 0.669858460695172
Energy: 0.683411383547733
Energy: 0.6729200862272194
Energy: 0.6696757864012519
Energy: 0.6807956099304165
Energy: 0.6844692130896128
Energy: 0.6689543958872908
Energy: 0.674215315531133
Energy: 0.7548313477015735
Energy: 0.6708499231090107
Energy: 0.680428008640856
Energy: 0.6757292357233298
Energy: 0.6710567680846695
Energy: 0.6741218067500284
Energy: 0.6706507745108741
Energy: 0.6771140044640266
Energy: 0.6713538355785165
Energy: 0.6768227202954341
Energy: 0.6783279264344892
Energy: 0.6845789238863977
Energy: 0.7620078131388657
Energy: 0.6841771448152132
Energy: 0.684588152666724
Energy: 0.7624242873983801
Energy: 0.6661355610887875
Energy: 0.784165263775646
Energy: 0.7307739708785895
Energy: 0.6762017586686276
Energy: 0.6768742099870608
Energy: 0.677491573399351
Energy: 0.693165539861416
Energy: 0.6785755665833572
Energy: 0.7444975761073764
Energy: 0.6710973427447262
Energy: 0.683778550225056
Energy: 0.678649831060402
Energy: 0.6699815323534114
Energy: 0.680589281989444
Energy: 0.7253391808160791
Energy: 0.6704709082347486
Energy: 0.6705371108328202
Energy: 0.6709379912954911
Energy: 0.6704086850124895
Energy: 0.6836296728847738
Energy: 0.7147226288231368
Energy: 0.6692424294750073
Energy: 0.677245480925824
Energy: 0.6751325918129242
Energy: 0.66960888772854
Energy: 0.7000144766793128
Energy: 0.7140798213147979
Energy: 0.6757569415194993
Energy: 0.677494221587328
Energy: 0.7084503957133005
Energy: 0.6801311135044986
Energy: 0.6704163572997645
Energy: 0.7320120721280443
Energy: 0.6713209744085774
Energy: 0.6926701132840245
Energy: 0.6735679582742325
Energy: 0.6766209976857381
Energy: 0.6730103292195888
Energy: 0.6913119677233941
Energy: 0.6740531099593996
Energy: 0.6734351193404998
Energy: 0.6948293163112833
Energy: 0.6707212441433308
Energy: 0.6735148339488256
Energy: 0.673233495417572
Energy: 0.6707340916740295
Energy: 0.6715011552506637
Energy: 0.7003542863690863
Energy: 0.672390303374784
Energy: 0.6734316845075288
Energy: 0.6660011991931836
Energy: 0.7141109432473052
Energy: 0.7056774623736289
Energy: 0.6871626137225209
Energy: 0.7562242997627479
Energy: 0.6660752735457698

minimum gb energy = 0.6622028778290057 eV
minimum distance =  2.33286294332999 Angstroms
sigma value = 57


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

Energy: 0.9163837688338358
Energy: 0.7041442621078421
Energy: 0.700060288246851
Energy: 0.6769742716670768
Energy: 1.102936000014827
Energy: 0.7006506440403663
Energy: 0.6627047217095002
Energy: 0.6724420392685201
Energy: 0.6739227933505905
Energy: 0.6798985289649917
Energy: 0.6791300784674213
Energy: 0.6683952484624155
Energy: 0.6826938640867667
Energy: 0.6436753333643098
Energy: 0.6438188708680187
Energy: 0.6738718892346928
Energy: 0.6441382954040212
Energy: 0.6443339130531502
Energy: 0.6688654264226833
Energy: 0.6442706586495222
Energy: 0.6438010301208787
Energy: 0.6695309757371586
Energy: 0.6439951721092458
Energy: 0.6693223219006155
Energy: 0.6678550864373426
Energy: 0.6672437597323664
Energy: 0.6678230860854405
Energy: 0.6682162784559107
Energy: 0.6711226896144062
Energy: 0.664528988240338
Energy: 0.6369192078071659
Energy: 0.6737574206145651
Energy: 0.669747952177233
Energy: 0.6661703129305161
Energy: 0.6697840325741764
Energy: 0.666846762117408
Energy: 0.6810849065941136
Energy: 0.6688646220875921
Energy: 0.6691356520730579
Energy: 0.6807493003354643
Energy: 0.6695108479542987
Energy: 0.6719845563118765
Energy: 0.6673530130837532
Energy: 0.6682143104705326
Energy: 0.6762445955995571
Energy: 0.6615499437501767
Energy: 0.6700846490467921
Energy: 0.6735266594119296
Energy: 0.6787238726585693
Energy: 0.6698583844965028
Energy: 0.6737075811377202
Energy: 0.6794728787831061
Energy: 0.682370102272279
Energy: 0.673913275809212
Energy: 0.7985621206317196
Energy: 0.6676601380877099
Energy: 0.6676317899249978
Energy: 0.762500250398129
Energy: 0.6720232671420391
Energy: 0.66762951418688
Energy: 0.6692628933121274
Energy: 0.6684860190219523
Energy: 0.6726793204480441
Energy: 0.67948853672112
Energy: 0.6832158239118631
Energy: 0.6731272385616651
Energy: 0.6374047113212548
Energy: 0.6704419998465816
Energy: 0.6736929125103468
Energy: 0.6393312180615642
Energy: 0.6804280213368527
Energy: 0.6937524504346662
Energy: 0.6390834071955211
Energy: 0.6737699036373943
Energy: 0.6967920987270738
Energy: 0.6938333181288872
Energy: 0.670644328954822
Energy: 0.6942246897799513
Energy: 0.7285085551013881
Energy: 0.6838462718485393
Energy: 0.6694727969148696
Energy: 0.6786176473873514
Energy: 0.6795198951971176
Energy: 0.6732601405724602
Energy: 0.6695855530761081
Energy: 0.6414197391170213
Energy: 0.6430667972859309
Energy: 0.6703614348652405
Energy: 0.640643227259553
Energy: 0.6423005562615379
Energy: 0.6690090175399729
Energy: 0.6642424626259018
Energy: 0.6679268807655795
Energy: 0.6698015698873021
Energy: 0.6741978449685418
Energy: 0.6698487932689915
Energy: 0.668224844527842
Energy: 0.671564958268002
Energy: 0.6660937728468811
Energy: 0.6698086041928021
Energy: 0.6688231953597868
Energy: 0.6655211627236968
Energy: 0.6680324868600576
Energy: 0.6730508888183386
Energy: 0.6704986937148408
Energy: 0.6689318681549798
Energy: 0.668894440149294
Energy: 0.6660605542639191
Energy: 0.6805821681898377
Energy: 0.6700947662796785
Energy: 0.6699202839148573
Energy: 0.6741856461264549
Energy: 0.6693925425099505
Energy: 0.6733088837903553
Energy: 0.6804084323453193
Energy: 0.6740405792457611
Energy: 0.6732226884379516
Energy: 0.6739112689775152
Energy: 0.6705976280180719
Energy: 0.6737387038884344
Energy: 0.679178684264197
Energy: 0.6852789650601441
Energy: 0.682542039988031
Energy: 0.6797995232335253
Energy: 0.685016361564251
Energy: 0.6679682147613948
Energy: 0.8011100357838337
Energy: 0.6674860369543802
Energy: 0.7262389359171639
Energy: 0.801642273180909
Energy: 0.6662439121921129
Energy: 0.6718198398515198
Energy: 0.7268015018017049
Energy: 0.6838714321503025
Energy: 0.6825464821792863
Energy: 0.6791124037324661
Energy: 0.6792920515706051
Energy: 0.6739373993775214
Energy: 0.6392329369146986
Energy: 0.6744590950552437
Energy: 0.6967734269896831
Energy: 0.6940706295209638
Energy: 0.6708881821010293
Energy: 0.6942323820207431

minimum gb energy = 0.6369192078071659 eV
minimum distance =  2.32050082675762 Angstroms
sigma value = 17


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

Energy: 0.5989676305653611
Energy: 0.7327764654483789
Energy: 0.7777348927659254
Energy: 0.6758585866404829
Energy: 0.6814449880142662
Energy: 0.6734928378519076
Energy: 0.6285697468700514
Energy: 0.6951958985289041
Energy: 0.6951322141077867
Energy: 0.7051233407765449
Energy: 0.6961451183130504
Energy: 0.6577958394742603
Energy: 0.8581740381019379
Energy: 0.6574253692729454
Energy: 0.6288868477293478
Energy: 0.6961744623238574
Energy: 0.6305694985533521
Energy: 0.6292335199879033
Energy: 0.7010611193879376
Energy: 0.6316435749794549
Energy: 0.6290017756280641
Energy: 0.6948907906356432
Energy: 0.6361089869305424
Energy: 0.698095212907317
Energy: 0.6184217970483329
Energy: 0.6310100163789535
Energy: 0.6304632228666726
Energy: 0.6191219179435414
Energy: 0.6300759325768973
Energy: 0.6302134248342519
Energy: 0.6287545366391865
Energy: 0.6309844290147761
Energy: 0.6294620147221915
Energy: 0.6238379104923428
Energy: 0.6102865502540822
Energy: 0.6224502470704455
Energy: 0.618513897863268
Energy: 0.6093930790663906
Energy: 0.609253643107775
Energy: 0.6104196632983144
Energy: 0.6128863530316699
Energy: 0.6167392635285681
Energy: 0.6096941449290689
Energy: 0.6250015484423962
Energy: 0.6282991032571748
Energy: 0.6253778939393235
Energy: 0.6248045057756879
Energy: 0.6412466576826241
Energy: 0.6113957538622731
Energy: 0.625416740507309
Energy: 0.6252249862847271
Energy: 0.6126898740243389
Energy: 0.6262390540927426
Energy: 0.6099423723881342
Energy: 0.6095049330358281
Energy: 0.6304415886777982
Energy: 0.6298456588101745
Energy: 0.6097394139311239
Energy: 0.6302541595346433
Energy: 0.6298191367793603
Energy: 0.610549454827339
Energy: 0.6304552932621366
Energy: 0.6391197288156409
Energy: 0.6303536218451742
Energy: 0.6951324832275718
Energy: 0.6307845212993585
Energy: 0.6940340907337813
Energy: 0.6946455603690294
Energy: 0.6947691365550324
Energy: 0.694629335638259
Energy: 0.694651615962592
Energy: 0.6946830794338532
Energy: 0.6941682614885025
Energy: 0.6958763076013991
Energy: 0.6954503715757119
Energy: 0.6302033569757237
Energy: 0.6990477594984249
Energy: 0.6951483706279667
Energy: 0.7037287152374326
Energy: 0.6954479682221664
Energy: 0.6955395522052107
Energy: 0.7042139551820935
Energy: 0.6951754935873056
Energy: 0.6518932804888238
Energy: 0.691742387325076
Energy: 0.6954625161757731
Energy: 0.7063728021777356
Energy: 0.6969771959370145
Energy: 0.6954255904210265
Energy: 0.706801380554002
Energy: 0.7354511875024691
Energy: 0.7199559120434997
Energy: 0.6572127009035692
Energy: 0.6957685962925771
Energy: 0.7050039807306954
Energy: 0.6953045345212828
Energy: 0.6841853238860377
Energy: 0.6957160073590593
Energy: 0.7608147094598868
Energy: 0.7187620833159192
Energy: 0.6960700381818822
Energy: 0.7607606748925785

minimum gb energy = 0.5989676305653611 eV
minimum distance =  2.33280100446334 Angstroms
sigma value = 17


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

Energy: 0.5662478830521527
Energy: 0.7709750074393527
Energy: 0.6460757869369971
Energy: 0.6259639244043289
Energy: 0.6933066167931513
Energy: 0.6645635711660649
Energy: 0.6324177787545643
Energy: 0.6914869157221759
Energy: 0.6753910179385053
Energy: 0.6840680933587139
Energy: 0.6847810078172634
Energy: 0.6338792734905886
Energy: 0.8176572136404727
Energy: 0.5868248137670259
Energy: 0.6052500439724827
Energy: 0.6829893278738972
Energy: 0.5870092210922838
Energy: 0.6161931320356613
Energy: 0.6880205310749212
Energy: 0.6054246368564807
Energy: 0.6146641558780633
Energy: 0.6890057489419483
Energy: 0.5900555829321503
Energy: 0.6221722963535632
Energy: 0.6016480149326254
Energy: 0.607535119770968
Energy: 0.5984339804402853
Energy: 0.6025030592463643
Energy: 0.6064640398263245
Energy: 0.5972954942267192
Energy: 0.5452257277027885
Energy: 0.5928133981880954
Energy: 0.585490276888902
Energy: 0.5868675675302454
Energy: 0.5929139677091562
Energy: 0.5861124373910768
Energy: 0.5520650715735765
Energy: 0.5930545151015201
Energy: 0.5927544105975394
Energy: 0.574591983485208
Energy: 0.5952504762434601
Energy: 0.5849949181860842
Energy: 0.5527326813051175
Energy: 0.5732130498918211
Energy: 0.5794991768072257
Energy: 0.5816649909777176
Energy: 0.5728796509631641
Energy: 0.5801382222993408
Energy: 0.5540419311259267
Energy: 0.5792998204388439
Energy: 0.5749212876977847
Energy: 0.5550249572131116
Energy: 0.5685898082713553
Energy: 0.5533614675242816
Energy: 0.5534524151453627
Energy: 0.5762877107926024
Energy: 0.5763746676444136
Energy: 0.5533637453354268
Energy: 0.5756126981248504
Energy: 0.5761086636873135
Energy: 0.5670900368520867
Energy: 0.5524258153748126
Energy: 0.5752978971589184
Energy: 0.5753140367421976
Energy: 0.5532941321066225
Energy: 0.575161324217699
Energy: 0.5553084190479022
Energy: 0.5536096407353159
Energy: 0.5533290836761057
Energy: 0.5564333187931523
Energy: 0.5575200375672424
Energy: 0.5746750217230843
Energy: 0.5620296945308701
Energy: 0.5811538666406235
Energy: 0.5795028779354934
Energy: 0.5790711210369208
Energy: 0.5810971429182595
Energy: 0.5791142731028108
Energy: 0.5931764591356281
Energy: 0.5851493529863135
Energy: 0.5853774751704433
Energy: 0.593830337963887
Energy: 0.5870883000428815
Energy: 0.5928904815648631
Energy: 0.5929883090671604
Energy: 0.5829220406036975
Energy: 0.5826955779688668
Energy: 0.5929282938772357
Energy: 0.582503314739908
Energy: 0.6016133684550427
Energy: 0.6880446116078109
Energy: 0.6100237280145988
Energy: 0.5970694155972929
Energy: 0.6061864925313221
Energy: 0.6044018937093488
Energy: 0.598603813777234
Energy: 0.5536171716733408
Energy: 0.6844365468803455
Energy: 0.684389257562625
Energy: 0.5557657849826735
Energy: 0.6843854599144239
Energy: 0.6070703796098407
Energy: 0.6035206899488538
Energy: 0.6797805496149456
Energy: 0.674827939411192
Energy: 0.6038641272145711
Energy: 0.68348323380267
Energy: 0.6070245987794487
Energy: 0.7622771247089941
Energy: 0.6833781010302676
Energy: 0.6410204172533148
Energy: 0.6837603352870136
Energy: 0.6158239614054521
Energy: 0.5981533628312597
Energy: 0.8212769411960879
Energy: 0.6104354544404933
Energy: 0.6103242155200532
Energy: 0.6837743908988501
Energy: 0.606671967398861
Energy: 0.6849694518575521
Energy: 0.8174480693123717
Energy: 0.6770856914431229
Energy: 0.6756458347823316
Energy: 0.6838415192240167
Energy: 0.6858856855110906
Energy: 0.6751625412045643
Energy: 0.5625172234390841
Energy: 0.687886887092754
Energy: 0.742922705674647
Energy: 0.6063905752667914
Energy: 0.6861181675756318
Energy: 0.6192359058132313
Energy: 0.5655617845385986
Energy: 0.680275191405046
Energy: 0.6792414812755998
Energy: 0.5668616331956184
Energy: 0.6820368499879117
Energy: 0.7294025516841526
Energy: 0.8138848507637433
Energy: 0.6149487429385587
Energy: 0.6743497374370663
Energy: 0.6855015363662124
Energy: 0.5619491452073313
Energy: 0.6746350491504066
Energy: 0.6837265757899657
Energy: 0.5879029256788382
Energy: 0.6052419411206537
Energy: 0.6836618623372819
Energy: 0.5878758984005591
Energy: 0.6157391040923755
Energy: 0.6971020886351051
Energy: 0.6079706319561753
Energy: 0.5986206476848512
Energy: 0.6056400883156373
Energy: 0.6073353415578263
Energy: 0.6101232323498101
Energy: 0.5434774978550253
Energy: 0.6101584959731616
Energy: 0.603252482292292
Energy: 0.5859413388031144
Energy: 0.6035163163131886
Energy: 0.586585381532475
Energy: 0.5488875357972907
Energy: 0.5932908608091639
Energy: 0.5931278940158206
Energy: 0.5434344370945905
Energy: 0.595189375282736
Energy: 0.5928869443367784
Energy: 0.5531139891304853
Energy: 0.5811759908479095
Energy: 0.5817017457231373
Energy: 0.5803140101567846
Energy: 0.592355425293127
Energy: 0.5816794178899043
Energy: 0.5535943763321517
Energy: 0.572602651853876
Energy: 0.5791994340914954
Energy: 0.55341781751625
Energy: 0.5727002654069544
Energy: 0.5789770170826258
Energy: 0.5571148073035278
Energy: 0.5808848846700974
Energy: 0.5800282750683617
Energy: 0.5581847899766136
Energy: 0.5773590745462791
Energy: 0.5704266258770633
Energy: 0.5538781435394129
Energy: 0.5806437056396077
Energy: 0.5811498148107291
Energy: 0.5839204326746581
Energy: 0.5768626992995868
Energy: 0.5811178009503013
Energy: 0.5617353712743163
Energy: 0.5577113807469651
Energy: 0.553700831091688
Energy: 0.5619319395631469
Energy: 0.5543225956987123
Energy: 0.5532651644404816
Energy: 0.5670772925297478
Energy: 0.5794769033723107
Energy: 0.5839080121371482
Energy: 0.5855532935074249
Energy: 0.5707920517742959
Energy: 0.5844408261049422
Energy: 0.5981504407565922
Energy: 0.5842187239169441
Energy: 0.5841627872130076
Energy: 0.598544588658923
Energy: 0.5855823327215282
Energy: 0.5860991662237921
Energy: 0.593244664500682
Energy: 0.5802431226324719
Energy: 0.5973549165579272
Energy: 0.5933710359237722
Energy: 0.580266270839423
Energy: 0.6068006550192276
Energy: 0.7691606277552888
Energy: 0.6057726412305496
Energy: 0.5968518579486166
Energy: 0.6103384897574149
Energy: 0.6167023897451069
Energy: 0.6019387128517327
Energy: 0.56018481216597
Energy: 0.6836820958627283
Energy: 0.6832057046435545
Energy: 0.6023843873787033
Energy: 0.6853221095178753
Energy: 0.6076942358085338
Energy: 0.5528136523885955
Energy: 0.6813154380560638
Energy: 0.613140917240254
Energy: 0.5984893665413861
Energy: 0.6841600750295839
Energy: 0.6097762555582344
Energy: 0.592523713129224
Energy: 0.6855619109509736
Energy: 0.6758342900080605
Energy: 0.6041014089381435
Energy: 0.6858242288620633
Energy: 0.6423685471830006
Energy: 0.7644272177325443
Energy: 0.6035876053563902
Energy: 0.6748483497483336
Energy: 0.6909318940991587
Energy: 0.6004157072588688
Energy: 0.6836949253669047
Energy: 0.8134769083814575
Energy: 0.6338997572774624
Energy: 0.599802384388337
Energy: 0.6858879178981039
Energy: 0.602331918462785
Energy: 0.6786101140116974
Energy: 0.5672897531036994
Energy: 0.6802547323407023
Energy: 0.6749527191053639
Energy: 0.5684200304135367
Energy: 0.681028459017478
Energy: 0.6697975751750811

minimum gb energy = 0.5434344370945905 eV
minimum distance =  2.32066115062728 Angstroms
sigma value = 57


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

Energy: 0.5176697488846768
Energy: 0.7366182526984006
Energy: 0.6196624645912108
Energy: 0.5596276523790098
Energy: 0.9071545893520409
Energy: 0.6207437460796078
Energy: 0.7394805024101107
Energy: 0.6522273555694867
Energy: 0.5752533165143325
Energy: 0.6676250806936541
Energy: 0.663033908541425
Energy: 0.5815240490740279
Energy: 0.773757980785209
Energy: 0.5583612431757191
Energy: 0.5584860743590608
Energy: 0.6686298347284336
Energy: 0.5579150898861541
Energy: 0.5860792555225194
Energy: 0.6659466788953871
Energy: 0.5578929077329476
Energy: 0.597456474252109
Energy: 0.6662029553034636
Energy: 0.5579960282337069
Energy: 0.6077870069591372
Energy: 0.5713595439654879
Energy: 0.5865280787098137
Energy: 0.582667962419366
Energy: 0.5716813859453105
Energy: 0.585625297054089
Energy: 0.5807252995147709
Energy: 0.5054505853344629
Energy: 0.5779320665451333
Energy: 0.5575434253943039
Energy: 0.5395542571962187
Energy: 0.5777687678851587
Energy: 0.5576826371021718
Energy: 0.5889100448926279
Energy: 0.5836864443305138
Energy: 0.5781836193486583
Energy: 0.549833905727462
Energy: 0.5822739284971378
Energy: 0.5575981008817834
Energy: 0.6965013175067408
Energy: 0.5366215162108833
Energy: 0.5368779912551488
Energy: 0.5520457636203735
Energy: 0.5365966082832205
Energy: 0.5471433229501904
Energy: 0.5344166223010505
Energy: 0.5472087461946578
Energy: 0.5320489090722682
Energy: 0.5358870192669147
Energy: 0.5379432133376475
Energy: 0.5318316728567238
Energy: 0.531780049644459
Energy: 0.5429401310641061
Energy: 0.5428481221489048
Energy: 0.5315539239791892
Energy: 0.5561372767876064
Energy: 0.5435520692766218
Energy: 0.5155732952161173
Energy: 0.5103460995465311
Energy: 0.5463940524614108
Energy: 0.5317628357777379
Energy: 0.5105131669239642
Energy: 0.5350464171076359
Energy: 0.5351419543356478
Energy: 0.5172020585577496
Energy: 0.5104741891125626
Energy: 0.5317767536683221
Energy: 0.5146944258162205
Energy: 0.5358806938110401
Energy: 0.5101721383143532
Energy: 0.5724883610998367
Energy: 0.5543271772357186
Energy: 0.5348348516662348
Energy: 0.5395633316337676
Energy: 0.5397647723053427
Energy: 0.5114238038087949
Energy: 0.5371885901757953
Energy: 0.5098420433079085
Energy: 0.5123042586966106
Energy: 0.5200049611013078
Energy: 0.5108162513159222
Energy: 0.5105074661085894
Energy: 0.5348976504184987
Energy: 0.5344333418962592
Energy: 0.5102162230796641
Energy: 0.5586316089699842
Energy: 0.5345076278427893
Energy: 0.6137692793573135
Energy: 0.5314908557310328
Energy: 0.5403890559393726
Energy: 0.5411864968921501
Energy: 0.5403967900986001
Energy: 0.5399288460823598
Energy: 0.5122143910424515
Energy: 0.54055415475244
Energy: 0.5317523766518439
Energy: 0.5525820351889209
Energy: 0.5381100872100235
Energy: 0.5533082635193872
Energy: 0.5135663670454744
Energy: 0.5545154765378687
Energy: 0.5551494738331484
Energy: 0.5418207602013195
Energy: 0.54933215329697
Energy: 0.5572239735985479
Energy: 0.578676734364498
Energy: 0.5575860207999087
Energy: 0.5780016921606889
Energy: 0.5797506766386377
Energy: 0.5560304128375974
Energy: 0.5783109800731928
Energy: 0.6584859321541763
Energy: 0.557902342072494
Energy: 0.5583351162554651
Energy: 0.5861716784132733
Energy: 0.5513860673847026
Energy: 0.5760130624637902
Energy: 0.7266354872019538
Energy: 0.5879893992777291
Energy: 0.5858068751899936
Energy: 0.5854778665144376
Energy: 0.5877655655983636
Energy: 0.5958209923750936
Energy: 0.5112273730898904
Energy: 0.6617898057955639
Energy: 0.5782786291106313
Energy: 0.5491966732754098
Energy: 0.6721326722280841
Energy: 0.5726408782757029
Energy: 0.5887892546973206
Energy: 0.6768942527263454
Energy: 0.6363298121767403
Energy: 0.5882929954888404
Energy: 0.6663775790975143
Energy: 0.6352639498428113
Energy: 0.726695806614241
Energy: 0.586677896283784
Energy: 0.5707587657467362
Energy: 0.6628196524717161
Energy: 0.5954656008130083
Energy: 0.5756245451429318
Energy: 0.7780805037751608
Energy: 0.57262374367637
Energy: 0.5734319608234523
Energy: 0.670399260405772
Energy: 0.5722209786954923
Energy: 0.6502009417327789
Energy: 0.7716372226512723
Energy: 0.65062702077644
Energy: 0.6655732080794374
Energy: 0.6639257229524818
Energy: 0.6648454635357206
Energy: 0.5799859688090163
Energy: 0.5160203705106619
Energy: 0.6567755182194048
Energy: 0.6039007472645392
Energy: 0.5599475632267161
Energy: 0.6758303010750423
Energy: 0.5847438491829017

minimum gb energy = 0.5054505853344629 eV
minimum distance =  2.36869313271748 Angstroms
sigma value = 43


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

Energy: 0.4497334012205584
Energy: 0.6579603633516039
Energy: 0.5589869301077734
Energy: 0.48635762809821137
Energy: 0.604074438383149
Energy: 0.5367357105617934
Energy: 0.6462727300107947
Energy: 0.5029189710886185
Energy: 0.502550726642275
Energy: 0.588691394844253
Energy: 0.5210110337956694
Energy: 0.5006162694142777
Energy: 0.6681371919803504
Energy: 0.4766535587483989
Energy: 0.495160466001699
Energy: 0.5889700471251501
Energy: 0.4761900899857666
Energy: 0.4995260303425359
Energy: 0.5866466715800424
Energy: 0.49500309963477307
Energy: 0.49799508844046625
Energy: 0.5239104409431634
Energy: 0.5021015090127079
Energy: 0.5480174923325042
Energy: 0.5489023175907713
Energy: 0.5241514608566273
Energy: 0.502333745250848
Energy: 0.513275564473246
Energy: 0.5252534588955954
Energy: 0.5019374917933015
Energy: 0.43503637125502115
Energy: 0.5227328661137433
Energy: 0.49257714429075095
Energy: 0.4661407658385578
Energy: 0.5226493418400137
Energy: 0.47392630909304967
Energy: 0.6186099846963702
Energy: 0.5229677164596759
Energy: 0.5228520318150575
Energy: 0.48140748606417344
Energy: 0.527311359483503
Energy: 0.4811214508204486
Energy: 0.6108238454391139
Energy: 0.4610966420988722
Energy: 0.47131566372715283
Energy: 0.4872426613845989
Energy: 0.46081561731717513
Energy: 0.47118879083654447
Energy: 0.4836803737801309
Energy: 0.4705211241072669
Energy: 0.48179443193186583
Energy: 0.4850503169536043
Energy: 0.48785885137161505
Energy: 0.48149166644556257
Energy: 0.4654824697328928
Energy: 0.4648776035008584
Energy: 0.4651495346464071
Energy: 0.48143486967585897
Energy: 0.46442774160998385
Energy: 0.46502551981456874
Energy: 0.4311164796300593
Energy: 0.45536703959073427
Energy: 0.46382826480912276
Energy: 0.4573401874985388
Energy: 0.4552820670984973
Energy: 0.45877594711732456
Energy: 0.48554919627269433
Energy: 0.45530590655147574
Energy: 0.45533978287527954
Energy: 0.4709079028166132
Energy: 0.45553801094414564
Energy: 0.47091234849328506
Energy: 0.5822883190873535
Energy: 0.4804739537850051
Energy: 0.4868916354659761
Energy: 0.4821557547947744
Energy: 0.4793663779510061
Energy: 0.48697737776178124
Energy: 0.4400187470654414
Energy: 0.45619477141026654
Energy: 0.4397499473721724
Energy: 0.4414155917582716
Energy: 0.49721008044389553
Energy: 0.4398375843335235
Energy: 0.4394718906618312
Energy: 0.4542148580852749
Energy: 0.4538988359967651
Energy: 0.4394259696003384
Energy: 0.45490757566439965
Energy: 0.4538388667771323
Energy: 0.43375259682784595
Energy: 0.43236352851903376
Energy: 0.43244493674224926
Energy: 0.4530264479599324
Energy: 0.4326068391086302
Energy: 0.4521340077151255
Energy: 0.4425666467698658
Energy: 0.4324712912330741
Energy: 0.43216444270994436
Energy: 0.455467417009659
Energy: 0.4326474887117341
Energy: 0.4572683195451753
Energy: 0.43263847078349016
Energy: 0.45659506603043803
Energy: 0.4568173844744081
Energy: 0.4325932686985664
Energy: 0.4738719166532879
Energy: 0.45656084056614366
Energy: 0.43250355298065735
Energy: 0.4501026766454357
Energy: 0.4323256613842884
Energy: 0.43385594201756067
Energy: 0.48535829585136425
Energy: 0.4327092353057351
Energy: 0.43436075933475743
Energy: 0.4620921776418049
Energy: 0.46250275015942777
Energy: 0.43237146571381113
Energy: 0.476725079556677
Energy: 0.4618697746320208
Energy: 0.45792815821851307
Energy: 0.43977183963128297
Energy: 0.4395509676457512
Energy: 0.46260881723466185
Energy: 0.4399634737008797
Energy: 0.46264846511886615
Energy: 0.43400867931050024
Energy: 0.439881104985617
Energy: 0.43960583845614315
Energy: 0.4556819187117318
Energy: 0.439998929945015
Energy: 0.4550306553310165
Energy: 0.45503684827605406
Energy: 0.45763322639963255
Energy: 0.4579101848908104
Energy: 0.45503984221806654
Energy: 0.458446236121849
Energy: 0.4579455267858616
Energy: 0.4555422925375658
Energy: 0.47123948399025556
Energy: 0.45535047347381363
Energy: 0.4570258528206636
Energy: 0.4820740871946437
Energy: 0.4552753897708111
Energy: 0.5936993514085078
Energy: 0.4725096284670679
Energy: 0.4823386845248573
Energy: 0.4976096581071727
Energy: 0.4720979224843441
Energy: 0.4827271523382319
Energy: 0.5516304208922784
Energy: 0.48141664965414843
Energy: 0.48146336562160724
Energy: 0.4736007071373572
Energy: 0.48161187250989124
Energy: 0.4738893569330429
Energy: 0.4332516658836892
Energy: 0.48142801111492406
Energy: 0.4862994011437337
Energy: 0.461234920366343
Energy: 0.4813654035140334
Energy: 0.46637852044257017
Energy: 0.5090066100892241
Energy: 0.4827909028214285
Energy: 0.4837773090215918
Energy: 0.5243146827929696
Energy: 0.4869291171459505
Energy: 0.4805090558492979
Energy: 0.5253762932101713
Energy: 0.4824545977599642
Energy: 0.5228934290267729
Energy: 0.5265779191583216
Energy: 0.47299754814112643
Energy: 0.5230623402986195
Energy: 0.6359784855038
Energy: 0.46907248926419637
Energy: 0.48333106798966463
Energy: 0.5239906591244945
Energy: 0.4687546358645291
Energy: 0.4830936318052965
Energy: 0.6342957553158571
Energy: 0.5215129250352197
Energy: 0.5216039672774162
Energy: 0.5216020157831914
Energy: 0.5209360485817647
Energy: 0.5242307935586721
Energy: 0.44148762709072903
Energy: 0.5884546308736871
Energy: 0.508886210151671
Energy: 0.47483038238042313
Energy: 0.5883863105063403
Energy: 0.48672256616582793
Energy: 0.5844318986539146
Energy: 0.5672104898869588
Energy: 0.5455915100577622
Energy: 0.5235046914842862
Energy: 0.5914867378322536
Energy: 0.544433419642936
Energy: 0.6342877917042264
Energy: 0.5082848113133989
Energy: 0.50889647583842
Energy: 0.523496357010947
Energy: 0.5291089182424679
Energy: 0.5675875298247947
Energy: 0.6678959409072849
Energy: 0.489895507096962
Energy: 0.5248787811064505
Energy: 0.5888512724544741
Energy: 0.49020656001627105
Energy: 0.5249215221967265
Energy: 0.6287845262206408
Energy: 0.54599296348861
Energy: 0.5464387814087306
Energy: 0.588614989950967
Energy: 0.5914266761796122
Energy: 0.5019199880454766

minimum gb energy = 0.4311164796300593 eV
minimum distance =  2.35722259441728 Angstroms
sigma value = 81


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

Energy: 0.05767505779937438
Energy: 0.08996715119556489
Energy: 0.058124798203200795
Energy: 0.05969049763047886
Energy: 0.06088061691905615
Energy: 0.05815057907725204
Energy: 0.09026169069817352
Energy: 0.05944658017718937
Energy: 0.05974922920395172
Energy: 0.09215339337535562
Energy: 0.06338074558433801
Energy: 0.05984832849776628
Energy: 0.09058870089373591
Energy: 0.05818522533024264
Energy: 0.05794130318290426
Energy: 0.09037690482034608
Energy: 0.058123439083959894
Energy: 0.08945864321980662
Energy: 0.062311055090312324
Energy: 0.05819099633077299
Energy: 0.058251761050172754
Energy: 0.06351984327459759
Energy: 0.058244583716239584
Energy: 0.08979825683351329
Energy: 0.08952131999747603
Energy: 0.09067861154790867
Energy: 0.09119673847436935
Energy: 0.09031234172703052
Energy: 0.09094300547038607
Energy: 0.09223736529645568
Energy: 0.05861414247910704
Energy: 0.06011478134358169
Energy: 0.05807246554833912
Energy: 0.06001254590580751
Energy: 0.05970928525120649
Energy: 0.0582472130339606
Energy: 0.0925959321621341
Energy: 0.0596233208459641
Energy: 0.05987881168439981
Energy: 0.09089207989755421
Energy: 0.0618394891067177
Energy: 0.05967297420454799
Energy: 0.09113956425190542
Energy: 0.05809980225962676
Energy: 0.058323421461615614
Energy: 0.09086881956528946
Energy: 0.0580807964771108
Energy: 0.0906466844177366
Energy: 0.06098841468219802
Energy: 0.05821732389830647
Energy: 0.0914727842404262
Energy: 0.06178942238624712
Energy: 0.05815080494880373
Energy: 0.09115235553737418
Energy: 0.05779317480045865
Energy: 0.09020600469201905
Energy: 0.09015945911612608
Energy: 0.058084713956556705
Energy: 0.09057069847484465
Energy: 0.09062547259249681

minimum gb energy = 0.05767505779937438 eV
minimum distance =  2.51661835051626 Angstroms
sigma value = 3


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

Energy: 0.5782699316077106
Energy: 0.5867288118229195
Energy: 0.5635292235522275
Energy: 0.5483878750712792
Energy: 0.5599032895579246
Energy: 0.5258270909051378
Energy: 0.5513194871577375
Energy: 0.5583336321627699
Energy: 0.5579628002953884
Energy: 0.5596627430590861
Energy: 0.5599161947361435
Energy: 0.5598515220495196
Energy: 0.5719670735692366
Energy: 0.5257051770746769
Energy: 0.5242769130806572
Energy: 0.5579232335239921
Energy: 0.5251838600030272
Energy: 0.5530184201329813
Energy: 0.533284129796214
Energy: 0.5395144200739599
Energy: 0.5389147291174973
Energy: 0.532702722066402
Energy: 0.4850979457225698
Energy: 0.553374202772114
Energy: 0.4894400736533885
Energy: 0.5614466978555642
Energy: 0.5600217906095255
Energy: 0.48954927791054387
Energy: 0.5587874014441497
Energy: 0.5597164740576942
Energy: 0.5347101879063023
Energy: 0.5595067693808672
Energy: 0.5298929795632149
Energy: 0.4561939539704856
Energy: 0.559177577696383
Energy: 0.48698056948854396
Energy: 0.5329383836134381
Energy: 0.49568712742307824
Energy: 0.49373308339826094
Energy: 0.5329420404614009
Energy: 0.49601986537798837
Energy: 0.5336958492281976
Energy: 0.5334550307258112
Energy: 0.526262989445149
Energy: 0.5261964681733077
Energy: 0.5334350286750288
Energy: 0.5060756143186258
Energy: 0.505402565395446
Energy: 0.5444629528749395
Energy: 0.5261953966193744
Energy: 0.547978460432798
Energy: 0.5496094022350949
Energy: 0.4583111874711604
Energy: 0.5486310265239317
Energy: 0.5034339052016006
Energy: 0.493125971503816
Energy: 0.4927852917441254
Energy: 0.5041018138435299
Energy: 0.4967796674727789
Energy: 0.5084051763420028
Energy: 0.5192824564888796
Energy: 0.4928423562376318
Energy: 0.5297278659077401
Energy: 0.43735191585699784
Energy: 0.5223351324863297
Energy: 0.5088282680620367
Energy: 0.46037987144009385
Energy: 0.5327938584399979
Energy: 0.5340475124039625
Energy: 0.4603328347793078
Energy: 0.5272569846925611
Energy: 0.460101522720632
Energy: 0.46088624219648944
Energy: 0.49846172316340964
Energy: 0.511468764006055
Energy: 0.4608783018867913
Energy: 0.42660775531556516
Energy: 0.4864083860411355
Energy: 0.5082115208237962
Energy: 0.49109686288952675
Energy: 0.5137685715705994
Energy: 0.4621533283145524
Energy: 0.4387813520213981
Energy: 0.5135721619119487
Energy: 0.508517419240398
Energy: 0.43826519743688835
Energy: 0.43817440936210633
Energy: 0.5084000873416055
Energy: 0.44207273841553163
Energy: 0.43853722669957096
Energy: 0.5081595745477699
Energy: 0.5041559413069823
Energy: 0.503091560427348
Energy: 0.500590168762087
Energy: 0.5041666057747747
Energy: 0.50246821837543
Energy: 0.4273375512792198
Energy: 0.5023189011344891
Energy: 0.5009280471209552
Energy: 0.42722217248441124
Energy: 0.4771787578201957
Energy: 0.42711226862566315
Energy: 0.42733527427293744
Energy: 0.4969716139392457
Energy: 0.49687891542280216
Energy: 0.42734630784798744
Energy: 0.42821871307159987
Energy: 0.4976194064330858
Energy: 0.5011476805741398
Energy: 0.4694419032862412
Energy: 0.49748081283285345
Energy: 0.46624779121623
Energy: 0.4688120956954288
Energy: 0.4966898467842832
Energy: 0.503465468745476
Energy: 0.4274433942242002
Energy: 0.42711289521241375
Energy: 0.5048943257727313
Energy: 0.43107440519490176
Energy: 0.4274736701629594
Energy: 0.5039032509386655
Energy: 0.4998279618753885
Energy: 0.5030041945668835
Energy: 0.5043453903880293
Energy: 0.501771944611944
Energy: 0.5011375890556563
Energy: 0.4421677340200648
Energy: 0.5001149216947522
Energy: 0.500445738782573
Energy: 0.4385834339383116
Energy: 0.5007823732731761
Energy: 0.4382256820145026
Energy: 0.438070967513451
Energy: 0.5144939712368967
Energy: 0.5138249070372968
Energy: 0.4380088397184016
Energy: 0.4944284798771771
Energy: 0.5112098920271405
Energy: 0.5119361176698914
Energy: 0.4612944569600503
Energy: 0.5113661342643272
Energy: 0.5033169437902918
Energy: 0.4610199056161171
Energy: 0.5028298490756102
Energy: 0.48070243965143056
Energy: 0.46056687870777663
Energy: 0.4602263051859636
Energy: 0.48109214651720617
Energy: 0.4608835908726319
Energy: 0.4602877954853258
Energy: 0.5249078725803284
Energy: 0.5169735051562205
Energy: 0.5169438889912418
Energy: 0.5257596456943
Energy: 0.5006260137506444
Energy: 0.5296210970625125
Energy: 0.49636220731192676
Energy: 0.516707047813057
Energy: 0.5168519725839863
Energy: 0.4962665968335013
Energy: 0.5294257001996281
Energy: 0.49352148689556674
Energy: 0.4724145867138745
Energy: 0.5505949371334143
Energy: 0.5498628396624373
Energy: 0.47248833498110576
Energy: 0.5078952895554459
Energy: 0.5491434503717753
Energy: 0.5256583622335366
Energy: 0.5340807681208608
Energy: 0.5112104264330088
Energy: 0.44410475715954545
Energy: 0.5340740406812662
Energy: 0.5136074987173415
Energy: 0.4942527389062867
Energy: 0.5351432594901052
Energy: 0.5347367603946935
Energy: 0.49484273360055464
Energy: 0.5370471909314541
Energy: 0.5495856709840565
Energy: 0.5347371125353041
Energy: 0.5341719270386535
Energy: 0.5341234110513956
Energy: 0.5344157577179177
Energy: 0.5102693256030908
Energy: 0.5068226870739716
Energy: 0.5743909795119544
Energy: 0.5348498572850782
Energy: 0.5543388662929415
Energy: 0.5571934225769536
Energy: 0.509268595312137
Energy: 0.5359281964587373
Energy: 0.5043682275925397
Energy: 0.5327199905653699
Energy: 0.532215738385768
Energy: 0.5043174237414099
Energy: 0.537459364928741
Energy: 0.533801109885831

minimum gb energy = 0.42660775531556516 eV
minimum distance =  2.31487560942839 Angstroms
sigma value = 67


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

Energy: 0.6810731459353433
Energy: 0.6913644176450127
Energy: 0.6644854766784674
Energy: 0.645362369890526
Energy: 0.6922369909012444
Energy: 0.6657178789700157
Energy: 0.6469283398215823
Energy: 0.6727412273089242
Energy: 0.6674572840775475
Energy: 0.6635862072308046
Energy: 0.6689976029416937
Energy: 0.6171699901164828
Energy: 0.6860515220785023
Energy: 0.6339759644649007
Energy: 0.6629148464126626
Energy: 0.6655257914601375
Energy: 0.6353764679297198
Energy: 0.6625025948917033
Energy: 0.6211524505469161
Energy: 0.6619588378037946
Energy: 0.661849498304604
Energy: 0.6223521952082395
Energy: 0.6575899811132574
Energy: 0.6620968702031252
Energy: 0.6161792283394989
Energy: 0.6722478931495798
Energy: 0.5652001083018527
Energy: 0.6162984571706286
Energy: 0.667820501214084
Energy: 0.5658741525408002
Energy: 0.6271135547994625
Energy: 0.6581351051373064
Energy: 0.6134419952825272
Energy: 0.5645466937339275
Energy: 0.6578932193403041
Energy: 0.6357009551381014
Energy: 0.6215884659290433
Energy: 0.5622778693020797
Energy: 0.5648291796047388
Energy: 0.6172330840578966
Energy: 0.5637166144942332
Energy: 0.5655872185981822
Energy: 0.6179875738699121
Energy: 0.6157283358194903
Energy: 0.6212916105389658
Energy: 0.6179213275807766
Energy: 0.534420625286976
Energy: 0.5654199274143933
Energy: 0.6290998293566012
Energy: 0.5883564015018434
Energy: 0.6620722312090171
Energy: 0.5661496072568889
Energy: 0.5614044803112059
Energy: 0.5878095281378523
Energy: 0.6318114020213942
Energy: 0.5656186426593981
Energy: 0.5625894572792421
Energy: 0.6325632865154205
Energy: 0.5637220557756765
Energy: 0.5622603851631036
Energy: 0.582391652339011
Energy: 0.5634090562915759
Energy: 0.6211807057037511
Energy: 0.5333590601486191
Energy: 0.6141767232656679
Energy: 0.6223786741265669
Energy: 0.5370631319447559
Energy: 0.6175658180520621
Energy: 0.6169390954926489
Energy: 0.5377670795708043
Energy: 0.5647136758335758
Energy: 0.5314911595559496
Energy: 0.5321932273297114
Energy: 0.6122094189663408
Energy: 0.6104125489141957
Energy: 0.5323045486823487
Energy: 0.5348465803673461
Energy: 0.5316050017495706
Energy: 0.6111480840073571
Energy: 0.6123835615628164
Energy: 0.610300372919502
Energy: 0.5335719430228428
Energy: 0.5760489907861654
Energy: 0.6104592911719857
Energy: 0.6120978048427783
Energy: 0.5358751557379096
Energy: 0.5408442680911132
Energy: 0.6127985762512442
Energy: 0.5348465799326542
Energy: 0.5318529210596683
Energy: 0.6136166433612203
Energy: 0.6216088483259447
Energy: 0.6194171600436719
Energy: 0.5648719782908936
Energy: 0.5813952908296323
Energy: 0.6173757595667897
Energy: 0.5673344379424646
Energy: 0.6126151089244178
Energy: 0.6100037842448813
Energy: 0.5677643455288696
Energy: 0.5278800387002451
Energy: 0.5617016368790896
Energy: 0.5618873889855108
Energy: 0.6365741035650396
Energy: 0.6391907049708152
Energy: 0.5619313850045549
Energy: 0.56490039622573
Energy: 0.5637978171198045
Energy: 0.6131405453420956
Energy: 0.6289545233074988
Energy: 0.6064983939381221
Energy: 0.5424510853231537
Energy: 0.6289739782761727
Energy: 0.6248009177823483
Energy: 0.5626983492973013
Energy: 0.6212736534896385
Energy: 0.5684321216609625
Energy: 0.6149231831458909
Energy: 0.6201875211643524
Energy: 0.571851695418099
Energy: 0.61658541709236
Energy: 0.5383644446802339
Energy: 0.5471602269610095
Energy: 0.6171530246623544
Energy: 0.6235602244219651
Energy: 0.5386545325922862
Energy: 0.686094702684522
Energy: 0.6237873692005687
Energy: 0.5454438068678698
Energy: 0.6657736303962247
Energy: 0.6241714044850448
Energy: 0.5386014836310007
Energy: 0.6468844359518711
Energy: 0.6239571625801572
Energy: 0.617543962655188
Energy: 0.6471287503257688
Energy: 0.6204709426891469
Energy: 0.5724786240203483

minimum gb energy = 0.5278800387002451 eV
minimum distance =  2.30596231625536 Angstroms
sigma value = 33


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

Energy: 0.7816822361831819
Energy: 0.7719962391345042
Energy: 0.7758191966256429
Energy: 0.7097948422334153
Energy: 0.7461500217629747
Energy: 0.7092729097114021
Energy: 0.7293185475347901
Energy: 0.6652962863140734
Energy: 0.6619765350429523
Energy: 0.6621592324974708
Energy: 0.6654376821510742
Energy: 0.6102630467793597
Energy: 0.7544951177034748
Energy: 0.642325730705669
Energy: 0.6049998408983879
Energy: 0.6641878218082804
Energy: 0.6337857156226089
Energy: 0.6570237908550118
Energy: 0.6619724105250958
Energy: 0.654870274635081
Energy: 0.6053401873021437
Energy: 0.66193733562982
Energy: 0.7046769203398476
Energy: 0.6045985911309416
Energy: 0.6605475644635607
Energy: 0.6656793691209018
Energy: 0.6064177146908677
Energy: 0.6606186816248626
Energy: 0.6651138458165671
Energy: 0.6116334375741386
Energy: 0.6044956311010681
Energy: 0.605677828535336
Energy: 0.6052023288199915
Energy: 0.608470622685074
Energy: 0.6062982190397218
Energy: 0.6844910634203739
Energy: 0.6620619965592778
Energy: 0.605718676978658
Energy: 0.6061766112970972
Energy: 0.6622326633391756
Energy: 0.6055576474298968
Energy: 0.6555597590031645
Energy: 0.6619043435519005
Energy: 0.6038342069183863
Energy: 0.6103454253866601
Energy: 0.6618699377217008
Energy: 0.6084846159747257
Energy: 0.6106902874801557
Energy: 0.6451007887822386
Energy: 0.6572773761163575
Energy: 0.6959063524664953
Energy: 0.6129080016298588
Energy: 0.6051336147476204
Energy: 0.6922979995738053
Energy: 0.6827714915378732
Energy: 0.6087221863568003
Energy: 0.6046403956213205
Energy: 0.6842490149345002
Energy: 0.6052125112519086
Energy: 0.6040280291472471
Energy: 0.644073256659465
Energy: 0.6066983577064147
Energy: 0.6773136787879772
Energy: 0.6066371018103174
Energy: 0.6447091954682466
Energy: 0.676837090777926
Energy: 0.6036711957316456
Energy: 0.6046898472379055
Energy: 0.6781880206076182
Energy: 0.6037638018090132
Energy: 0.6233627559403722
Energy: 0.6035196849296512
Energy: 0.6040064328953878
Energy: 0.6910182597254871
Energy: 0.6932762045316869
Energy: 0.6040313166535886
Energy: 0.6131793130347843
Energy: 0.6038823511830729
Energy: 0.5886869837557431
Energy: 0.6105964340521066
Energy: 0.6101450960175707
Energy: 0.5917461542844937
Energy: 0.6825863535934842
Energy: 0.6721185971041351
Energy: 0.5907645797675108
Energy: 0.6655628013551271
Energy: 0.6101594721271003
Energy: 0.5905619737456033
Energy: 0.662063855815105
Energy: 0.611916234185308
Energy: 0.6106965183285039
Energy: 0.5882372936742625
Energy: 0.5886180941529285
Energy: 0.6559908741747242
Energy: 0.6172109693516648
Energy: 0.6106046401311834
Energy: 0.7757904742828202
Energy: 0.6168744541360096
Energy: 0.5884402210338202
Energy: 0.6646787949077565
Energy: 0.6220106736024414
Energy: 0.5887991530317195
Energy: 0.7552029107609532
Energy: 0.6634243446342684
Energy: 0.6607757599486064
Energy: 0.6607507922078686
Energy: 0.6637187345764192
Energy: 0.7167393277598415
Energy: 0.7395140321331289
Energy: 0.6654368110628505
Energy: 0.6172642427187199
Energy: 0.6163768838983767
Energy: 0.6645959663773005
Energy: 0.6889825412916359
Energy: 0.6987770572267915
Energy: 0.6655192672947245
Energy: 0.6650759810063727
Energy: 0.6992666653567464
Energy: 0.6645027148370317
Energy: 0.6117449043172362
Energy: 0.7555485344516952
Energy: 0.6354314079898455
Energy: 0.6543408436160658
Energy: 0.6667552820711788
Energy: 0.6046820722549656
Energy: 0.6547228500547351
Energy: 0.6659983683772949
Energy: 0.643232514141692
Energy: 0.6044104793907957
Energy: 0.6663538086014387
Energy: 0.6337465357247747
Energy: 0.6043893902842848
Energy: 0.6603631588815249
Energy: 0.6653139494119064
Energy: 0.6118802198717059
Energy: 0.6604818763518445
Energy: 0.6656701427995666
Energy: 0.6105354051619832
Energy: 0.6045763550905239
Energy: 0.6055028747457831
Energy: 0.6049481476278259
Energy: 0.6029190363702215
Energy: 0.6063991265230783
Energy: 0.6543458378185492
Energy: 0.6618989552807345
Energy: 0.6057619830818263
Energy: 0.6664811181750351
Energy: 0.661588506395064
Energy: 0.6056546960489895
Energy: 0.712872591777642
Energy: 0.6619828120347988
Energy: 0.6038132663473817
Energy: 0.610379875978749
Energy: 0.6617186162072909
Energy: 0.6077572869773409
Energy: 0.6121340581207885
Energy: 0.6829802688971719
Energy: 0.6597342471058134
Energy: 0.6109516163646687
Energy: 0.6460978473652242
Energy: 0.6207035749863242
Energy: 0.6931966141924506
Energy: 0.6824641159020225
Energy: 0.6045282441377234
Energy: 0.6046320724691775
Energy: 0.6841355734944735
Energy: 0.6057865710362008
Energy: 0.6041259083667727
Energy: 0.6429003386551586
Energy: 0.6239294460341331
Energy: 0.6561717531762615
Energy: 0.6078491762801762
Energy: 0.6046311832950719
Energy: 0.6784570792864469
Energy: 0.6035085941013545
Energy: 0.605651273042434
Energy: 0.6744422445541158
Energy: 0.6034283058748205
Energy: 0.619599522630028
Energy: 0.6040433340578885
Energy: 0.6065434076675681
Energy: 0.6902992242987742
Energy: 0.6521659954891886
Energy: 0.6040450884452865
Energy: 0.6120474471040506
Energy: 0.6039898336446285
Energy: 0.5880295684911999
Energy: 0.611954278168541
Energy: 0.6101185824620784
Energy: 0.5928465044385881
Energy: 0.646799076572006
Energy: 0.6777576914619112
Energy: 0.6887862677969
Energy: 0.6618343764477561
Energy: 0.6103381272194942
Energy: 0.5910425008740868
Energy: 0.6629062311455282
Energy: 0.6126458838922707
Energy: 0.6118383148282722
Energy: 0.6794844046075644
Energy: 0.6545971559364608
Energy: 0.6115388492306846
Energy: 0.6170007895203702
Energy: 0.6550537329708316
Energy: 0.7762705518587166
Energy: 0.6172129925483869
Energy: 0.5882466892001235
Energy: 0.7757642091367093
Energy: 0.594356165478677
Energy: 0.5886451298126125
Energy: 0.7603374923213889
Energy: 0.6607632936144711
Energy: 0.6605291173296068
Energy: 0.6657439318447117
Energy: 0.661418373696107
Energy: 0.6551155155941478
Energy: 0.7393673861424056
Energy: 0.6657973813296078
Energy: 0.6171910607785285
Energy: 0.6219578446381563
Energy: 0.6655359791673748
Energy: 0.6886659467910569

minimum gb energy = 0.5880295684911999 eV
minimum distance =  2.33883467332101 Angstroms
sigma value = 41


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

Energy: 0.8486295755842023
Energy: 0.8036451536586828
Energy: 0.8044266654065755
Energy: 0.6981913154157267
Energy: 0.7704665956081107
Energy: 0.8050846719144782
Energy: 0.7535601667012
Energy: 0.7347683942941686
Energy: 0.7353305035373576
Energy: 0.732270612334107
Energy: 0.7346556384025631
Energy: 0.7154956143088238
Energy: 0.8417784547903139
Energy: 0.7010073851407799
Energy: 0.6983797775537431
Energy: 0.7317457728030541
Energy: 0.731740362643079
Energy: 0.7311814950283229
Energy: 0.730945997975713
Energy: 0.7007291484856362
Energy: 0.7011749654440154
Energy: 0.7312451061282584
Energy: 0.7135058394849517
Energy: 0.7220602310616193
Energy: 0.7211452983513098
Energy: 0.7323484351031845
Energy: 0.732359891638175
Energy: 0.7205773488098699
Energy: 0.7339523522177216
Energy: 0.7156426903406744
Energy: 0.7398029526203201
Energy: 0.7423442183922082
Energy: 0.7154821659221905
Energy: 0.7300714885845095
Energy: 0.7703112200161484
Energy: 0.6991444666814467
Energy: 0.7206603014960955
Energy: 0.7015492564730255
Energy: 0.7144324777537375
Energy: 0.7199754052416953
Energy: 0.7029865647797632
Energy: 0.7028429919520706
Energy: 0.7247043485771602
Energy: 0.7035487785884007
Energy: 0.7005560908199493
Energy: 0.7256650517371381
Energy: 0.7308947458650842
Energy: 0.7205833705840894
Energy: 0.7683951665798447
Energy: 0.7032857894509148
Energy: 0.7002506859488015
Energy: 0.7730011152318835
Energy: 0.7479765478094409
Energy: 0.6988675014807886
Energy: 0.7411761108867645
Energy: 0.7254059534841281
Energy: 0.7306542602133426
Energy: 0.7294395855112964
Energy: 0.7216786521663339
Energy: 0.7000955039989933
Energy: 0.7966556475833108
Energy: 0.7342716030386139
Energy: 0.7028888918158422
Energy: 0.7013626818432065
Energy: 0.6841643659812185
Energy: 0.7028557105920958
Energy: 0.8376725938302197
Energy: 0.6846872849389867
Energy: 0.6841036058632047
Energy: 0.7329989489852065
Energy: 0.6851708258456936
Energy: 0.7376597130551644
Energy: 0.8400834437859401
Energy: 0.7204124616879545
Energy: 0.7342731217590461
Energy: 0.7331360807521348
Energy: 0.7205396154767254
Energy: 0.715793993343443
Energy: 0.6883294869219205
Energy: 0.7324891270780973
Energy: 0.6866093785545471
Energy: 0.6893805126733693
Energy: 0.7323879256705551
Energy: 0.6843647800960342

minimum gb energy = 0.6841036058632047 eV
minimum distance =  2.31336981983547 Angstroms
sigma value = 11


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

Energy: 1.216184345008618
Energy: 1.0450993833015025
Energy: 0.8133491702671644
Energy: 0.9519750192049434
Energy: 0.8398442583186372
Energy: 0.8134506281749548
Energy: 0.9016676263565307
Energy: 0.8041749605111961
Energy: 0.8046038403663293
Energy: 0.8380871420924467
Energy: 0.8040069993918831
Energy: 0.7949525298891768
Energy: 0.9405557788219461
Energy: 0.8265134182551669
Energy: 0.8219735318717979
Energy: 0.8469564146592113
Energy: 0.7945488829769544
Energy: 0.8228207232876057
Energy: 0.8524812941422477
Energy: 0.7941875835120701
Energy: 0.8154741648251059
Energy: 0.8111256118913468
Energy: 0.79402527303544
Energy: 0.8256027870266759
Energy: 0.8317767111806942
Energy: 0.8040680088962151
Energy: 0.8038690907408619
Energy: 0.8098936732410967
Energy: 0.8056156094969493
Energy: 0.8039617582456726
Energy: 0.8549173198571349
Energy: 0.8194578343865648
Energy: 0.8225533654808944
Energy: 0.804040793748446
Energy: 0.8154957680766473
Energy: 0.8138144524564567
Energy: 0.8152991145421122
Energy: 0.8141473040671398
Energy: 0.8137788357177507
Energy: 0.8153363153818737
Energy: 0.8129952164222927
Energy: 0.8211115705341855
Energy: 0.8151447508647695
Energy: 0.8150988389342114
Energy: 0.8046340477791837
Energy: 0.8043176225208005
Energy: 0.8330282453718378
Energy: 0.8042563028293088
Energy: 0.8243803465452451
Energy: 0.8254627641563845
Energy: 0.8242625754571543
Energy: 0.7913867727611078
Energy: 0.8111950634327024
Energy: 0.8298198058831634
Energy: 0.8229688169858419
Energy: 0.8342770554662634
Energy: 0.8250924451901002
Energy: 0.7962076764409353
Energy: 0.8119413980954763
Energy: 0.8300200949420817
Energy: 0.8155789969227698
Energy: 0.8135236566044795
Energy: 0.8028537557720843
Energy: 0.8042945826873072
Energy: 0.8124578803176757
Energy: 0.8043787890327698
Energy: 0.8043243434097564
Energy: 0.8174307520804617
Energy: 0.8269196828747609
Energy: 0.8048439844613366
Energy: 0.8203503495377261
Energy: 0.8208246342008151
Energy: 0.8025105161008849
Energy: 0.817461413263677
Energy: 0.8070414011353549
Energy: 0.8026756285674277
Energy: 0.841387441769199
Energy: 0.7956283085447451
Energy: 0.8214103901453247
Energy: 0.8105961316706559
Energy: 0.8236396891868873
Energy: 0.7943007138627612
Energy: 0.8544859603106819
Energy: 0.8188862360070197
Energy: 0.7952234149517782
Energy: 0.8067289441152214
Energy: 0.8345491702799495
Energy: 0.7949443087661912
Energy: 0.8092890811732542
Energy: 0.7979732967659742
Energy: 0.7953050666502921
Energy: 0.806394659303416
Energy: 0.8046398650512311
Energy: 0.796403349866156
Energy: 0.8069808171739428
Energy: 0.794397599172444
Energy: 0.7943498079136563
Energy: 0.8070175581800545
Energy: 0.8358682095388242
Energy: 0.794531981624114
Energy: 0.8051597541790568
Energy: 0.7990157052184167
Energy: 0.8364999368717746
Energy: 0.8635174665300324
Energy: 0.8421309488101277
Energy: 0.810910091481761
Energy: 0.863927386117111
Energy: 0.8149814869584449
Energy: 0.8128486234176436
Energy: 0.8044834275708599
Energy: 0.8041037325954243
Energy: 0.8129302163820521
Energy: 0.804351363099117
Energy: 0.8121959244599755
Energy: 0.8238985900924699
Energy: 0.8296280889486978
Energy: 0.8271019743771564
Energy: 0.8095728811070781
Energy: 0.7976031808583985
Energy: 0.8140564361703875
Energy: 0.8704682273942327
Energy: 0.797026289781737
Energy: 0.8128866716621614
Energy: 0.8088629246908269
Energy: 0.797107902872734
Energy: 0.8148239726072508
Energy: 0.8152260944457259
Energy: 0.8083037098515797
Energy: 0.8148454784568788
Energy: 0.8017302749184867
Energy: 0.809368803020971
Energy: 0.8137659251294492
Energy: 0.8032586192083035
Energy: 0.8190282266368364
Energy: 0.8157489790058507
Energy: 0.7949621362249424
Energy: 0.8084140603451769
Energy: 0.8213111092092976
Energy: 0.8673180346337449
Energy: 0.8126022528560409
Energy: 0.8191512203364467
Energy: 0.8138269833550912
Energy: 0.8132513519483622
Energy: 0.806363001124937
Energy: 0.8616479848016387
Energy: 0.8136487127804316
Energy: 0.8137058041792404
Energy: 0.8628286515805895
Energy: 0.8137202756013765
Energy: 0.8097889044101868
Energy: 0.8745343239288812
Energy: 0.813785570152482
Energy: 0.7956135838455547
Energy: 0.807561805776209
Energy: 0.7960833573301294
Energy: 0.8353244440957291
Energy: 0.8521744635889833
Energy: 0.7941799694361799
Energy: 0.7941044489073049
Energy: 0.8090567734764583
Energy: 0.7968381481458668
Energy: 0.7946302162209186
Energy: 0.8522483839181845
Energy: 0.7950667271942982
Energy: 0.7952692057140334
Energy: 0.8083473002525716
Energy: 0.802212906733391
Energy: 0.8348347960927321
Energy: 0.8692172573117279
Energy: 0.8127099565587425
Energy: 0.8138024507430297
Energy: 0.8207413113820455
Energy: 0.8286267142768113
Energy: 0.8130179794050952
Energy: 0.9458885426128888
Energy: 0.8029272498733637
Energy: 0.7949692746131493
Energy: 0.8200904902998827
Energy: 0.8025390055179763
Energy: 0.8287399236934566
Energy: 0.7978278162813409
Energy: 0.8055396376313064
Energy: 0.8139242808047992
Energy: 0.7982317580712124
Energy: 0.8059820984686211
Energy: 0.8152388730836406

minimum gb energy = 0.7913867727611078 eV
minimum distance =  2.32273571660561 Angstroms
sigma value = 57


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

Energy: 1.1010472193887566
Energy: 0.9053850892748602
Energy: 0.902633991941363
Energy: 0.9010421056599708
Energy: 1.1982986336446315
Energy: 0.9035382227545876
Energy: 0.8007320095368189
Energy: 0.8233440733343191
Energy: 0.8201904486658451
Energy: 0.8344348522649004
Energy: 0.830313307130662
Energy: 0.8209331145304852
Energy: 0.8606998385448803
Energy: 0.8199039317913188
Energy: 0.8271012863338697
Energy: 0.8618977230764764
Energy: 0.8310915074859636
Energy: 0.8198943576301103
Energy: 0.8218438402225734
Energy: 0.8290322864356698
Energy: 0.8183876945267708
Energy: 0.8281600179015693
Energy: 0.8246244101766971
Energy: 0.8185409711112248
Energy: 0.8320236065742601
Energy: 0.828575899499741
Energy: 0.8211551566688209
Energy: 0.826654648941586
Energy: 0.827771490753518
Energy: 0.8183569919875792
Energy: 0.8231932208289929
Energy: 0.8196214437249995
Energy: 0.8420152861295588
Energy: 0.826311573113007
Energy: 0.8667502784361759
Energy: 0.8204494131441378
Energy: 0.8617261980841449
Energy: 0.841793807447245
Energy: 0.8461318318452969
Energy: 0.8626983834402329
Energy: 0.8368239442545652
Energy: 0.8447425719170588
Energy: 0.859768390254498
Energy: 0.8280024631896252
Energy: 0.8207172506677116
Energy: 0.830409279781382
Energy: 0.8331736966006977
Energy: 0.8182893595268308
Energy: 0.8458506069252094
Energy: 0.8284232350629444
Energy: 0.8438368444078432
Energy: 0.8015512591933683
Energy: 0.8264731927003871
Energy: 0.8040665751443623
Energy: 0.8445194192714305
Energy: 0.8276184301135251
Energy: 0.8436432830321765
Energy: 0.8061248109517041
Energy: 0.872919360045999
Energy: 0.8044071447343096
Energy: 0.8596270747332119
Energy: 0.8280857413020429
Energy: 0.8247133676512682
Energy: 0.8304107480231303
Energy: 0.8340012845343996
Energy: 0.8182584924868583
Energy: 0.8534472146515107
Energy: 0.8465505991876516
Energy: 0.8216505859534259
Energy: 0.8543939226868389
Energy: 0.8479323152086594
Energy: 0.8292183309469425
Energy: 0.8336650306183473
Energy: 0.8222249785222684
Energy: 0.819708387115276
Energy: 0.8366369467716588
Energy: 0.8198252759490803
Energy: 0.8183855604784295
Energy: 0.8319888762422204
Energy: 0.863647595141341
Energy: 0.8261692499080622
Energy: 0.8355776518906555
Energy: 0.8597466518719056
Energy: 0.8300886706576704
Energy: 0.8323341148516173
Energy: 0.842624377834445
Energy: 0.8193060484166305
Energy: 0.829566515786671
Energy: 0.8446381417189357
Energy: 0.8178003122649049
Energy: 0.8617550722442046
Energy: 0.8429422565190438
Energy: 0.8018887941545412
Energy: 0.8598092885360055
Energy: 0.8447587269847292
Energy: 0.8204154344565259
Energy: 0.8007442248418706
Energy: 0.82276144026504
Energy: 0.8198998583097703
Energy: 0.8012946281979065
Energy: 0.8332253700230572
Energy: 0.8210547933096405

minimum gb energy = 0.8007320095368189 eV
minimum distance =  2.3048675672848 Angstroms
sigma value = 9


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

Energy: 1.3463352372596367
Energy: 0.9072732559322602
Energy: 0.867977828446013
Energy: 0.8681003046899275
Energy: 0.8989308992180552
Energy: 0.8675073511407674
Energy: 0.888779512128071
Energy: 0.8624795871825761
Energy: 0.8614350358228938
Energy: 0.8574671908550545
Energy: 0.8773668956903499
Energy: 0.862276396013805
Energy: 0.9124525319609654
Energy: 0.8664744228355782
Energy: 0.8634551154409418
Energy: 0.8941539981523396
Energy: 0.8567488900120458
Energy: 0.8607164417296013
Energy: 0.8521158027822472
Energy: 0.8726527431159818
Energy: 0.8709672613786992
Energy: 0.8576879933236955
Energy: 0.8585470084615533
Energy: 0.8694008453134963
Energy: 0.8935247886855303
Energy: 0.8385452502447753
Energy: 0.8329002299141255
Energy: 0.8323941028277506
Energy: 0.83635677298415
Energy: 0.8335314263962792
Energy: 0.8720681703817645
Energy: 0.8609756718520302
Energy: 0.858880862673624
Energy: 0.864664248026686
Energy: 0.8640648319356274
Energy: 0.8586119048919284
Energy: 0.8490976858794522
Energy: 0.8570392405613027
Energy: 0.8517983967146594
Energy: 0.8326945413648645
Energy: 0.8608623466314559
Energy: 0.865626631251421
Energy: 0.882450524337055
Energy: 0.8556103589240873
Energy: 0.8614718316359123
Energy: 0.8487942818172068
Energy: 0.8556534898958591
Energy: 0.8630664911183643
Energy: 0.9078571247005964
Energy: 0.8381058105229117
Energy: 0.8323240137297271
Energy: 0.8567823424462252
Energy: 0.8344568504296004
Energy: 0.8635977730305714
Energy: 0.9080478691860397
Energy: 0.837406193226659
Energy: 0.8327958680193858
Energy: 0.8572506045359448
Energy: 0.8340110925841596
Energy: 0.8326244013314674
Energy: 0.8822612821084099
Energy: 0.848614968778557
Energy: 0.848596131455055
Energy: 0.8333993114726035
Energy: 0.8529994436132944
Energy: 0.8345580465407176
Energy: 0.8860534710571243
Energy: 0.8583061900654829
Energy: 0.8643297679681999
Energy: 0.8752062609578888
Energy: 0.8569155797054062
Energy: 0.8794468202825604
Energy: 1.0122550743755396
Energy: 0.8585151885313503
Energy: 0.8599950541567153
Energy: 0.856019379058397
Energy: 0.8579585889387739
Energy: 0.8576075784241846
Energy: 1.0050063621059626
Energy: 0.8581747467260649
Energy: 0.8673533846701803
Energy: 0.8725052783940958
Energy: 0.8581801301655091
Energy: 0.8690517246219195
Energy: 0.8818574914752174
Energy: 0.8436513043364311
Energy: 0.8341144734306691
Energy: 0.867639088344659
Energy: 0.8458258768096164
Energy: 0.8386406197927841
Energy: 0.8676570310420622
Energy: 0.868520378153004
Energy: 0.8322384488771859
Energy: 0.8675971933544896
Energy: 0.8729144435920646
Energy: 0.8314466955518386
Energy: 0.8675607685882482
Energy: 0.8744733109468249
Energy: 0.8704855294034242
Energy: 0.8575487855232502
Energy: 0.8586452924716182
Energy: 0.8675535706070228
Energy: 0.9609054898508798
Energy: 0.859102921063216
Energy: 0.8358858867323521
Energy: 0.8377917874006623
Energy: 0.9092463094198668
Energy: 0.8353254551956176
Energy: 0.8680310918333839
Energy: 0.8694407652243797
Energy: 0.8659051267070575
Energy: 0.8555134732584002
Energy: 0.8525690363547349
Energy: 0.863244672896914
Energy: 0.9072437978583558
Energy: 0.8707373938623479
Energy: 0.8663719279712055
Energy: 0.8369829695494871
Energy: 0.8568538921542525
Energy: 0.8633454874384898
Energy: 0.8754696642260997
Energy: 0.8384755312133056
Energy: 0.8354362328799314
Energy: 0.8552144706747523
Energy: 0.8713978421304632
Energy: 0.83536463172652

minimum gb energy = 0.8314466955518386 eV
minimum distance =  2.2980529722947 Angstroms
sigma value = 27


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

Energy: 0.9676988709931944
Energy: 0.8377171086815526
Energy: 0.8305987516017524
Energy: 0.8325626944617375
Energy: 1.2879595707231308
Energy: 0.8317820390569953
Energy: 0.8906772595026906
Energy: 0.8443956912520422
Energy: 0.8420870795078538
Energy: 0.8460129400521138
Energy: 0.8675289500138644
Energy: 0.8450936933401846
Energy: 0.8631516471975756
Energy: 0.8532292353804508
Energy: 0.8535301333394537
Energy: 0.8366377341353263
Energy: 0.8457514290942241
Energy: 0.8410805156324017
Energy: 0.868266767791036
Energy: 0.8454693065546149
Energy: 0.8465620464558358
Energy: 0.8525276976842971
Energy: 0.8477303815653026
Energy: 0.8435377871996301
Energy: 0.8469782135817127
Energy: 0.8429942782211138
Energy: 0.8381006995238137
Energy: 0.8345860566379956
Energy: 0.8425187554758582
Energy: 0.8359082467357937
Energy: 0.8778181624815511
Energy: 0.8512318149401141
Energy: 0.849431239319366
Energy: 0.8439344887654009
Energy: 0.8504439816830367
Energy: 0.8495607679952318
Energy: 0.858186149993664
Energy: 0.8045169989453562
Energy: 0.8022881419076082
Energy: 0.8331061583454105
Energy: 0.7999734826499045
Energy: 0.8011560271509967
Energy: 0.8550121646075751
Energy: 0.8256637273012771
Energy: 0.840261193032299
Energy: 0.8378803018709458
Energy: 0.8292057908098137
Energy: 0.8385027479163808
Energy: 0.9753904688824118
Energy: 0.8435356332384438
Energy: 0.8453267405258968
Energy: 0.8401063092179774
Energy: 0.8414186511270231
Energy: 0.8408331154487723
Energy: 0.9787922801189631
Energy: 0.8443596034772834
Energy: 0.8421662101967682
Energy: 0.8457191565787092
Energy: 0.8442373671853478
Energy: 0.8403945757433717
Energy: 0.8556417172904638
Energy: 0.8374507276753785
Energy: 0.83664738683246
Energy: 0.837447780219681
Energy: 0.843542031386445
Energy: 0.8358225057328107
Energy: 0.8673584566785495
Energy: 0.8494866057716788
Energy: 0.8538176240539977
Energy: 0.8557890603039011
Energy: 0.8500475874530103
Energy: 0.8525919282133705
Energy: 0.8161960028407927
Energy: 0.8605382030346843
Energy: 0.8049249293385798
Energy: 0.800309272318015
Energy: 0.8572236435393662
Energy: 0.8051644775698396
Energy: 0.8586067978219111
Energy: 0.8585405705586928
Energy: 0.866149943898472
Energy: 0.8005927486462241
Energy: 0.8610693266027448
Energy: 0.8004195436680474
Energy: 0.8703247401931541
Energy: 0.8525236652071689
Energy: 0.8505164115159087
Energy: 0.8525789342862189
Energy: 0.849312023036995
Energy: 0.8504167230847468
Energy: 0.884831243920865
Energy: 0.8511797710714447
Energy: 0.8490191814182565
Energy: 0.8469125221511347
Energy: 0.8540704688265904
Energy: 0.8494481293410647
Energy: 0.84848852595792
Energy: 0.8521811201805752
Energy: 0.853754789334265
Energy: 0.8431403395471472
Energy: 0.8563801314091559
Energy: 0.8539237034787497
Energy: 0.8870055441584702
Energy: 0.845521412839236
Energy: 0.8415377412716043
Energy: 0.8415024333274351
Energy: 0.8457187350953804
Energy: 0.8417649083659696
Energy: 0.853961675089448
Energy: 0.8005932362536983
Energy: 0.800356023865783
Energy: 0.8545788736166271
Energy: 0.8000025196974877
Energy: 0.8000018952467983
Energy: 0.862759955943426
Energy: 0.8003425055953962
Energy: 0.8004059012900633
Energy: 0.8369487859784648
Energy: 0.800209711500757
Energy: 0.8000765400960762
Energy: 0.969302008008003
Energy: 0.8466882770439808
Energy: 0.8429823650305428
Energy: 0.8400485852084306
Energy: 0.8464893291657036
Energy: 0.8430684917192152
Energy: 0.8514189058237405
Energy: 0.8699108727033557
Energy: 0.872289795264581
Energy: 0.8501823783132624
Energy: 0.873048751728113
Energy: 0.8442052451918726
Energy: 0.8627438067162638
Energy: 0.8535536092249976
Energy: 0.8530029663965026
Energy: 0.8575318694036032
Energy: 0.8501661222534326
Energy: 0.8532837217407381
Energy: 0.8616711719204632
Energy: 0.8488684739053602
Energy: 0.8467905990866403
Energy: 0.8437607804574615
Energy: 0.8511011222353722
Energy: 0.84646028663637
Energy: 0.9049164317342392
Energy: 0.8680997844904492
Energy: 0.8685489439011366
Energy: 0.833565317754356
Energy: 0.8908498770146757
Energy: 0.8337418648127922

minimum gb energy = 0.7999734826499045 eV
minimum distance =  2.27629087412703 Angstroms
sigma value = 19


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

Energy: 0.8734729411039688
Energy: 0.8934401152413806
Energy: 0.854295844448794
Energy: 0.8334999949174817
Energy: 0.8815295160533619
Energy: 0.8545785898155349
Energy: 0.8568358872950727
Energy: 0.8244486280908133
Energy: 0.8241345698864571
Energy: 0.824334964435086
Energy: 0.8273283341649298
Energy: 0.8245960208026939
Energy: 0.8590269023629804
Energy: 0.8259604662324088
Energy: 0.8253138642165361
Energy: 0.8332850794909284
Energy: 0.8271269003515449
Energy: 0.8265590633176869
Energy: 0.8548675757657069
Energy: 0.8244717121769499
Energy: 0.8240062819519742
Energy: 0.8274060908072741
Energy: 0.8252219230521896
Energy: 0.8241447365673354
Energy: 0.8383777572708344
Energy: 0.8281877542442684
Energy: 0.8275753312746167
Energy: 0.8379052341933074
Energy: 0.831206613810586
Energy: 0.8251958491718013
Energy: 0.8388430909507466
Energy: 0.8245611506799708
Energy: 0.8243517110501838
Energy: 0.8469489338596401
Energy: 0.8248982377884874
Energy: 0.824341912447448
Energy: 0.8399133615763648
Energy: 0.8249045616812933
Energy: 0.82469098518958
Energy: 0.8243693481824331
Energy: 0.8238649851928536
Energy: 0.8285099834896388
Energy: 0.8553971711984725
Energy: 0.8230017853404958
Energy: 0.8252873134000709
Energy: 0.8277584427747404
Energy: 0.8230788329886519
Energy: 0.8268611034959427
Energy: 0.8271134597734398
Energy: 0.8267697587710569
Energy: 0.8247665798197636
Energy: 0.8252391062420159
Energy: 0.8244563037538003
Energy: 0.8277902042693475
Energy: 0.8284484226389593
Energy: 0.8318603233575581
Energy: 0.8308149216219931
Energy: 0.8244432521058804
Energy: 0.8376229758325118
Energy: 0.8303300130466387
Energy: 0.8593529002581423
Energy: 0.8140387728044239
Energy: 0.8138440786655767
Energy: 0.8393524360202206
Energy: 0.8148239879946697
Energy: 0.8147188442124719
Energy: 0.8583397752695586
Energy: 0.8139744389450353
Energy: 0.8137723165391103
Energy: 0.811738831280288
Energy: 0.8187506892835308
Energy: 0.813979244726888
Energy: 0.8554732896815946
Energy: 0.8277069986601969
Energy: 0.8467656012712628
Energy: 0.8109065442321729
Energy: 0.8501356761125182
Energy: 0.8177925062605653
Energy: 0.8841151073508565
Energy: 0.8244258434770019
Energy: 0.8250598130719753
Energy: 0.8109354434958426
Energy: 0.8445616324719721
Energy: 0.8256819853056491
Energy: 0.8578839490131625
Energy: 0.8128290414345067
Energy: 0.8146591431383082
Energy: 0.8092577421197054
Energy: 0.8130178403636784
Energy: 0.8151305694927542
Energy: 0.8584260041214828
Energy: 0.8126274782601758
Energy: 0.8131048328521265
Energy: 0.8123158968115766
Energy: 0.8133874516290531
Energy: 0.8128653311183988
Energy: 0.8370320735598671
Energy: 0.8325571661098796
Energy: 0.8372571431836665
Energy: 0.8139099850442237
Energy: 0.8351020399117017
Energy: 0.8365036299457571
Energy: 0.8673228233935382
Energy: 0.8133637601793667
Energy: 0.8134440360524915
Energy: 0.8207124745461052
Energy: 0.8120394832322213
Energy: 0.8129313636198753
Energy: 0.8681643438198885
Energy: 0.8114749381913251
Energy: 0.815055808851751
Energy: 0.8395472815242125
Energy: 0.8108298077159527
Energy: 0.8136021067561734
Energy: 0.8519458631583406
Energy: 0.8116167109939869
Energy: 0.812704620037506
Energy: 0.8323522204311189
Energy: 0.8107561765537079
Energy: 0.8136252449498644
Energy: 0.8139403588973645
Energy: 0.8136845864216776
Energy: 0.814413805995167
Energy: 0.8175296041370643
Energy: 0.8115033777464087
Energy: 0.8137089343733295
Energy: 0.8137521949461118
Energy: 0.8143148353138652
Energy: 0.8141931467713145
Energy: 0.8147324604555928
Energy: 0.812855662479988
Energy: 0.8144945843688012
Energy: 0.847622372665792
Energy: 0.8098666919460371
Energy: 0.8110638818388645
Energy: 0.8475140721769645
Energy: 0.8086954469939517
Energy: 0.8278623134750304
Energy: 0.8590010059189878
Energy: 0.8084336024846821
Energy: 0.8138999381912753
Energy: 0.8347817181912939
Energy: 0.8080950411726604
Energy: 0.8153659959083446
Energy: 0.8593438013887585
Energy: 0.8026686289256919
Energy: 0.8149623348829143
Energy: 0.8124614540344457
Energy: 0.8028047571652367
Energy: 0.8148382435741818
Energy: 0.8370686306072082
Energy: 0.825162358692034
Energy: 0.8270501914693205
Energy: 0.8240594051789558
Energy: 0.8317429850549504
Energy: 0.8252148864791408
Energy: 0.8595831421147354
Energy: 0.8240296718296003
Energy: 0.826872217280603
Energy: 0.8388212187040871
Energy: 0.8244625646250388
Energy: 0.8275570949033147
Energy: 0.8590052007084878
Energy: 0.8246855289622966
Energy: 0.8248215501559206
Energy: 0.8238574109124231
Energy: 0.8250251721816576
Energy: 0.8242477027565447
Energy: 0.872553360055633
Energy: 0.8717194039473366
Energy: 0.8592138124623009
Energy: 0.8079055695898898
Energy: 0.872927621688938
Energy: 0.815642583263299

minimum gb energy = 0.8026686289256919 eV
minimum distance =  2.28809839895659 Angstroms
sigma value = 101


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

Energy: 1.2281104866158254
Energy: 0.8034078921147819
Energy: 0.8035137235955991
Energy: 0.7670326586717872
Energy: 0.7983536101893647
Energy: 0.795857828244464
Energy: 0.9070100885470125
Energy: 0.7897035631937417
Energy: 0.7896360029075027
Energy: 0.7868414674254207
Energy: 0.7902561884231987
Energy: 0.7898494292046392
Energy: 0.8569085537879075
Energy: 0.7891473374979666
Energy: 0.790912549000881
Energy: 0.7946743218518962
Energy: 0.7870973161932111
Energy: 0.7980179982865957
Energy: 0.8387522971169786
Energy: 0.7906795207925046
Energy: 0.802992346030286
Energy: 0.8040886004393302
Energy: 0.7887699777997238
Energy: 0.8035633617791502
Energy: 0.7949960183760502
Energy: 0.7947654146031538
Energy: 0.7959985315331926
Energy: 0.7965373317073458
Energy: 0.7948404411283977
Energy: 0.8019882307770194
Energy: 0.8057773080881336
Energy: 0.7995352931077061
Energy: 0.7994095593085592
Energy: 0.7845253232464556
Energy: 0.7989427673100385
Energy: 0.7996015395989724
Energy: 0.8183323737979407
Energy: 0.7859266601162604
Energy: 0.788742511500156
Energy: 0.8103258787593318
Energy: 0.7830595040631008
Energy: 0.7972500183472827
Energy: 0.7846913037906448
Energy: 0.7904981172946347
Energy: 0.7913218948592486
Energy: 0.8101079680944443
Energy: 0.7849111904209645
Energy: 0.7911429685095513
Energy: 0.7854424600819316
Energy: 0.7933605790489207
Energy: 0.7960999314692142
Energy: 0.7870888366789404
Energy: 0.7945692958806205
Energy: 0.7916410984028568
Energy: 0.7834990389432694
Energy: 0.7917614913165634
Energy: 0.7921657554534346
Energy: 0.7858766772051949
Energy: 0.7905368540913296
Energy: 0.7921932333993729
Energy: 0.8428707059758059
Energy: 0.7757358021429992
Energy: 0.7792274324363934
Energy: 0.7928607186968096
Energy: 0.7696119510634598
Energy: 0.7922830020833321
Energy: 0.8564031492903592
Energy: 0.7908217324912079
Energy: 0.7914457091160023
Energy: 0.794241067995255
Energy: 0.7881772000124599
Energy: 0.7916255486643721
Energy: 0.8021259391821104
Energy: 0.7936868850829875
Energy: 0.7941078519686288
Energy: 0.7835328401784132
Energy: 0.7931523077216933
Energy: 0.7939401789094458
Energy: 0.8015586864628305
Energy: 0.792927928187848
Energy: 0.7919051246941032
Energy: 0.7835505392454576
Energy: 0.794894233286637
Energy: 0.7979993992079512
Energy: 0.8529000318243071
Energy: 0.7874989075104037
Energy: 0.7915381914938748
Energy: 0.7950484479571824
Energy: 0.7853703409911889
Energy: 0.7955499262647742
Energy: 0.853955426734678
Energy: 0.795744315941518
Energy: 0.8019518597050445
Energy: 0.7901103804352744
Energy: 0.7912310540911813
Energy: 0.8010306137714989
Energy: 0.8050351306677187
Energy: 0.8312361962951635
Energy: 0.799874661070247
Energy: 0.7655014074779061
Energy: 0.8508422441136149
Energy: 0.7638209099346698
Energy: 0.881983265181235
Energy: 0.7925906633227611
Energy: 0.8004363579136385
Energy: 0.7973387390405943
Energy: 0.7933127790472538
Energy: 0.8024597143743699
Energy: 0.8537540489725997
Energy: 0.7914989957107664
Energy: 0.7926418456238935
Energy: 0.7928328084501742
Energy: 0.7889997970560868
Energy: 0.7965302448850545
Energy: 0.83975299997862
Energy: 0.7883628653425775
Energy: 0.7891309265737757
Energy: 0.792728413173034
Energy: 0.7863378643299223
Energy: 0.7985505919460435
Energy: 0.7973766071367631
Energy: 0.7928181518680114
Energy: 0.7981079506234308
Energy: 0.7987171614286097
Energy: 0.7931938515170907
Energy: 0.7997588274183801
Energy: 0.806631855367247
Energy: 0.7904179271321139
Energy: 0.7904971368330479
Energy: 0.8046536875608943
Energy: 0.7910496509625871
Energy: 0.7906448562743946
Energy: 0.8200671844617827
Energy: 0.7830712422761051
Energy: 0.7989645397077558
Energy: 0.8040474875785927
Energy: 0.7824215475163306
Energy: 0.799470592157908
Energy: 0.825331098094858
Energy: 0.7873633260063008
Energy: 0.7823477766633301
Energy: 0.8036354614865744
Energy: 0.7853995438568986
Energy: 0.8042302789821781
Energy: 0.7900439072570568
Energy: 0.7905742534157476
Energy: 0.7906345058150331
Energy: 0.7897879842082993
Energy: 0.7926954013819133
Energy: 0.790186442922174
Energy: 0.7854511236009308
Energy: 0.7927898980170965
Energy: 0.8017215035244842
Energy: 0.786884839900376
Energy: 0.7935325800384154
Energy: 0.7916634687414524
Energy: 0.8068419358247606
Energy: 0.7752763937440751
Energy: 0.7790254143213395
Energy: 0.7791305454511741
Energy: 0.7709236670559696
Energy: 0.781904911924054
Energy: 0.8541399295589783
Energy: 0.7724900202126217
Energy: 0.7741758445818011
Energy: 0.7948169265285872
Energy: 0.7663642592404536
Energy: 0.7984665705566488
Energy: 0.8011040509131269
Energy: 0.7949926116760659
Energy: 0.7980213343014254
Energy: 0.7825288921284997
Energy: 0.7953920785388594
Energy: 0.7963162961597334
Energy: 0.8015160819762404
Energy: 0.7808667606575862
Energy: 0.799683142175322
Energy: 0.7828341901895784
Energy: 0.7795346042598343
Energy: 0.799470651963294
Energy: 0.8540576042218612
Energy: 0.7935658238344367
Energy: 0.7965210952776711
Energy: 0.7947100121669791
Energy: 0.7850316701892006
Energy: 0.7989110413298866
Energy: 0.8536037123023479
Energy: 0.7876227969643242
Energy: 0.7900748456584897
Energy: 0.7930871365979998
Energy: 0.7897851410090815
Energy: 0.7905816433631541
Energy: 0.8082716052710255
Energy: 0.7869873338914943
Energy: 0.798811651706932
Energy: 0.7662153592214108
Energy: 0.7880726972564507
Energy: 0.8035251336005214

minimum gb energy = 0.7638209099346698 eV
minimum distance =  2.28564595935182 Angstroms
sigma value = 33


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

Energy: 0.015447714550027802
Energy: 0.016228709817500717
Energy: 0.01605359374058837
Energy: 0.017311412882486266
Energy: 0.7994882954654442
Energy: 0.015817960438647395
Energy: 0.016082511702527346
Energy: 0.10272097174205848
Energy: 0.10215806234755927
Energy: 0.10495503590804228
Energy: 0.10377284999151935
Energy: 0.10178342791179719
Energy: 1.0733094276924242
Energy: 0.8003232079792757
Energy: 0.7981567739202757
Energy: 0.7994357393716387
Energy: 0.7995571409223335
Energy: 0.7982747559381838
Energy: 0.3739006748174679
Energy: 0.10272097174205848
Energy: 0.10215806234669679
Energy: 0.10495503590631736
Energy: 0.10377284999021333
Energy: 0.10178342791049118

minimum gb energy = 0.015447714550027802 eV
minimum distance =  2.52140889150064 Angstroms
sigma value = 1