Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_Pt__MO_102190350384_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9200808867812147
cohesive_energy=5.770451165484275
mass=195.084
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=[1.64410559651178e-19, 2.75447809093914e-19, 3.64926169749546e-19, 4.42594886435964e-19, 5.132572847019e-19, 5.76338183135748e-19, 6.30349159644522e-19, 6.75786888984762e-19, 7.141013410102379e-19, 7.46684807215896e-19, 7.74617154653052e-19, 7.98734719524654e-19, 8.19686383367472e-19, 8.380056710006279e-19, 8.5412837446857e-19, 8.68386144334536e-19, 8.81008091857188e-19, 8.92112778107442e-19, 9.01719429204906e-19, 9.097623559075859e-19, 9.161438254408078e-19, 9.20756491970094e-19, 9.23531461900182e-19, 9.24455917818e-19, 9.23456159598384e-19, 9.202373867406779e-19, 9.14477561741448e-19, 9.05867464510332e-19, 8.933400454090859e-19, 8.758042221499558e-19, 8.524605085925759e-19, 8.223347813434739e-19, 7.842013752776399e-19, 7.364789420573159e-19, 6.770926629414719e-19, 6.03285191942994e-19, 5.113955554531919e-19, 3.9663164315977197e-19, 2.52752977073304e-19, 7.1583649830486e-20, -1.580388633954234e-19, -4.520124806906159e-19, -8.3354841560484e-19, -1.33566256181727e-18, -2.0023522918741798e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018925064965261255
Energy: 0.34246172699590227
Energy: 0.020193666172875307
Energy: 0.01971717109848584
Energy: 0.34318773560392707
Energy: 0.020048276346659424
Energy: 0.342461726996169
Energy: 0.11053335628846571
Energy: 0.1105145116728534
Energy: 0.11073073724473115
Energy: 0.11037336660392678
Energy: 0.11055053167984615
Energy: 0.020193666175216292
Energy: 0.11051451101965948
Energy: 0.11035275233324043
Energy: 0.020238566340010127
Energy: 0.11060134650199446
Energy: 0.11140475048190922
Energy: 0.01971717109795245
Energy: 0.11073073724446444
Energy: 0.020238566340780577
Energy: 0.01981156413658461
Energy: 0.11043945243676846
Energy: 0.02009461808395204
Energy: 0.3431877356044605
Energy: 0.11037336660626779
Energy: 0.11060134648768184
Energy: 0.11043945243833898
Energy: 0.11040140178246005
Energy: 0.11067730650514275
Energy: 0.02004827634692612
Energy: 0.11055053167907569
Energy: 0.11140475048190922
Energy: 0.020094618084752124
Energy: 0.1106773065064466
Energy: 0.020428640419294333

minimum gb energy = 0.018925064965261255 eV
minimum distance =  2.76532050878415 Angstroms
sigma value = 1


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

Energy: 1.1656554903914493
Energy: 0.753571152099222
Energy: 0.830303670987199
Energy: 0.7554397827394841
Energy: 0.807416665912939
Energy: 0.8238327171345675
Energy: 1.0372501492521073
Energy: 0.7672748958718071
Energy: 0.71338217868123
Energy: 0.7693307061234469
Energy: 0.7977754486663552
Energy: 0.754836318515714
Energy: 1.0568291769369687
Energy: 0.7412269790898842
Energy: 0.7336079590058129
Energy: 0.7547104053573482
Energy: 0.7869757489333885
Energy: 0.747831774002435
Energy: 1.1301922893788066
Energy: 0.7484761482652184
Energy: 0.7521218570975288
Energy: 0.7594765598778515
Energy: 0.7844177700192759
Energy: 0.732864812254753
Energy: 1.043040435335182
Energy: 0.791117827195348
Energy: 0.7618315383372061
Energy: 0.7690024219584476
Energy: 0.7929391029759765
Energy: 0.7542466320479808
Energy: 1.0253260840886171
Energy: 0.77586280381571
Energy: 0.7753196857524182
Energy: 0.7434552391637727
Energy: 0.7788103211389211
Energy: 0.7593255172851214
Energy: 1.026795468489334
Energy: 0.7753899919769887
Energy: 0.7605243218621794
Energy: 0.7437589120792313
Energy: 0.7745399851739755
Energy: 0.7601251854622875
Energy: 0.8660008958396953
Energy: 0.7479302039090232
Energy: 0.7710047580139201
Energy: 0.7746774712876545
Energy: 0.7469795774920815
Energy: 0.7702531530783967
Energy: 0.8707736622621449
Energy: 0.7436412151203818
Energy: 0.7437793017642356
Energy: 0.7796645694396371
Energy: 0.7443142792049964
Energy: 0.7693016994131644
Energy: 0.8647319824955398
Energy: 0.767867192463641
Energy: 0.7829780345656326
Energy: 0.7598239699610667
Energy: 0.7695890782601698
Energy: 0.7661821506220027
Energy: 0.9244346044993355
Energy: 0.725383859271568
Energy: 0.7260052763585118
Energy: 0.7853016677015013
Energy: 0.7500486226230084
Energy: 0.7568767062053313
Energy: 0.8384060748370628
Energy: 0.7426589767208623
Energy: 0.7476028437205096
Energy: 0.7690694734741642
Energy: 0.7474054623556304
Energy: 0.7461819440658616
Energy: 0.8322970366868567
Energy: 0.7579074607958235
Energy: 0.7588995134840909
Energy: 0.7946909139313028
Energy: 0.7547483445875933
Energy: 0.772752824621003
Energy: 0.9039519794592751
Energy: 0.732406921016766
Energy: 0.7354193563075541
Energy: 0.7552578532981762
Energy: 0.7604343162395718
Energy: 0.7368087823296958
Energy: 0.8431540027342207
Energy: 0.7668105315889818
Energy: 0.7673865063237477
Energy: 0.7862208979517615
Energy: 0.7685718101398078
Energy: 0.7408343671981072
Energy: 0.8454857260352465
Energy: 0.7311702307579625
Energy: 0.7407350856414521
Energy: 0.7786039305287922
Energy: 0.7318651062999283
Energy: 0.7567331315415986
Energy: 0.9450815451494959
Energy: 0.7467025611894524
Energy: 0.7442314387479997
Energy: 0.7355524380754461
Energy: 0.7425048404257371
Energy: 0.7587905552992295
Energy: 0.9394203054270107
Energy: 0.7558702942692928
Energy: 0.7561150236601923
Energy: 0.7462343268497935
Energy: 0.7589964754248977
Energy: 0.7673179899410787
Energy: 0.9434456767767725
Energy: 0.7725485549601939
Energy: 0.7681396978986275
Energy: 0.7468339557788483
Energy: 0.7462479869069352
Energy: 0.7675386425425041
Energy: 1.020658655730419
Energy: 0.7723376174513119
Energy: 0.768825555380622
Energy: 0.7569315418943308
Energy: 0.7457319601273333
Energy: 0.7673689813157963
Energy: 1.0776710859068537
Energy: 0.7349173190725398
Energy: 0.7256404138879593
Energy: 0.7711509487121609
Energy: 0.7353358677757259
Energy: 0.7254163369280805
Energy: 1.083683277788286
Energy: 0.7606802816523569
Energy: 0.7559858995772832
Energy: 0.7363295103317978
Energy: 0.7773843342026738
Energy: 0.7468993567353367
Energy: 1.081559623027487
Energy: 0.8087952581968129
Energy: 0.7494423900283751
Energy: 0.7939482508761342
Energy: 0.8041258909476916
Energy: 0.76924783459733

minimum gb energy = 0.71338217868123 eV
minimum distance =  2.54774998831129 Angstroms
sigma value = 33


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

Energy: 1.2913135077229476
Energy: 0.7399929877868334
Energy: 0.7816215100414482
Energy: 0.7825034605923987
Energy: 0.7396712581466074
Energy: 0.7813094996801472
Energy: 0.9961136919126814
Energy: 0.7791906536575705
Energy: 0.7168606932685629
Energy: 0.7445516207348863
Energy: 0.7812479448559988
Energy: 0.7258098425662044
Energy: 0.9608967395530991
Energy: 0.7790660003008594
Energy: 0.7797525088092684
Energy: 0.7172447131086517
Energy: 0.7788542077045202
Energy: 0.6936076665023787
Energy: 1.0076245993200152
Energy: 0.7410726352430529
Energy: 0.7391603555661845
Energy: 0.7620826392201026
Energy: 0.7388577947821131
Energy: 0.7157529924797477
Energy: 0.9576510591269903
Energy: 0.8071414766800266
Energy: 0.7444452510780576
Energy: 0.6901221307310951
Energy: 0.8087731845277306
Energy: 0.7455499713301504
Energy: 1.0179600865883944
Energy: 0.7676760293276681
Energy: 0.7686102965816659
Energy: 0.7473691624220382
Energy: 0.767480920587453
Energy: 0.7663181674012827
Energy: 1.0163601485761338
Energy: 0.718219856901734
Energy: 0.7708796685163816
Energy: 0.7476924701152461
Energy: 0.6998955558482475
Energy: 0.7685706148336091
Energy: 0.9570884975649833
Energy: 0.7821831142755971
Energy: 0.7788793086545064
Energy: 0.7388067268869146
Energy: 0.7750190638487544
Energy: 0.7763478093113683
Energy: 0.8588471992063323
Energy: 0.6899096427090308
Energy: 0.7292234183333445
Energy: 0.7684263582622234
Energy: 0.6899069856432553
Energy: 0.7665902964476204
Energy: 0.8551888234487773
Energy: 0.7447763081202164
Energy: 0.7810237821070074
Energy: 0.7169052590303477
Energy: 0.6898079779838976
Energy: 0.7464418842668586
Energy: 0.8620659210478658
Energy: 0.7291056953446351
Energy: 0.7289406566148414
Energy: 0.7407523466969939
Energy: 0.7297506701943933
Energy: 0.72993208464419
Energy: 0.8252749952406688
Energy: 0.6883893487651045
Energy: 0.7207201422319366
Energy: 0.77992811908577
Energy: 0.6891645682011276
Energy: 0.7647130814159168
Energy: 0.823085767836163
Energy: 0.7161840999663887
Energy: 0.7206706175842691
Energy: 0.7798086724240177
Energy: 0.7156395342697787
Energy: 0.6927606323467352
Energy: 0.8318728138157324
Energy: 0.7172436085589277
Energy: 0.7153140968297774
Energy: 0.7505236040284824
Energy: 0.7617239742110907
Energy: 0.7164000224037813
Energy: 0.8684653583401218
Energy: 0.7486004409823828
Energy: 0.7837042693806535
Energy: 0.8086175962603517
Energy: 0.7430733130071115
Energy: 0.6982839059803374
Energy: 0.859525588271209
Energy: 0.7219351746616741
Energy: 0.74804109256891
Energy: 0.7687765849690412
Energy: 0.746463792550064
Energy: 0.7681126022539985
Energy: 0.9571790037140175
Energy: 0.767415035421827
Energy: 0.7670432990688159
Energy: 0.7195506532406152
Energy: 0.7677702016676538
Energy: 0.719222591160586
Energy: 0.9009818737238251
Energy: 0.7178061321003217
Energy: 0.6993165408698286
Energy: 0.7751462657864084
Energy: 0.7179931116335421
Energy: 0.7766790456426317
Energy: 0.9066124573313252
Energy: 0.7667816956605114
Energy: 0.7697819384602107
Energy: 0.7760486134059482
Energy: 0.7680947644013235
Energy: 0.7497596703312465
Energy: 0.9580298318120523
Energy: 0.8085928137115297
Energy: 0.7457624356951335
Energy: 0.6919273788979876
Energy: 0.8098883827671601
Energy: 0.7445363380745258
Energy: 1.1279783135198829
Energy: 0.7195385563843094
Energy: 0.7289950901818593
Energy: 0.7301461504881305
Energy: 0.7181594603096548
Energy: 0.7288445414245955
Energy: 0.9005571228579567
Energy: 0.7789539811491908
Energy: 0.7170874845917542
Energy: 0.6884789487634447
Energy: 0.7783277894103606
Energy: 0.7446461059350802
Energy: 0.9608594982710146
Energy: 0.7793431513909514
Energy: 0.6945625378957979
Energy: 0.7828442398089744
Energy: 0.7800838312864011
Energy: 0.7449524587518185
Energy: 1.087588174949505
Energy: 0.7507989322235105
Energy: 0.7498148805073634
Energy: 0.7159591578515627
Energy: 0.7557271242117322
Energy: 0.732493201276928
Energy: 0.9595984047020787
Energy: 0.7594774851049674
Energy: 0.6931261969486696
Energy: 0.7451910659618136
Energy: 0.7612049656912413
Energy: 0.6922930747328163
Energy: 1.0362480045181477
Energy: 0.7667238253696325
Energy: 0.7683406186219314
Energy: 0.7230904177388736
Energy: 0.7678614971083758
Energy: 0.7409134609604201
Energy: 1.0127921998634584
Energy: 0.7179762445460419
Energy: 0.7179356173872993
Energy: 0.7667035581801678
Energy: 0.7369779616643912
Energy: 0.7197853420510124
Energy: 0.9596165077871698
Energy: 0.7794980964190387
Energy: 0.7770126735364472
Energy: 0.702402158143211
Energy: 0.7756132982037189
Energy: 0.7494811176709483
Energy: 0.8640049163589597
Energy: 0.77944774027527
Energy: 0.7769166094373232
Energy: 0.7703965867352822
Energy: 0.7753676016157474
Energy: 0.7664522527309029
Energy: 0.8622507155207313
Energy: 0.6916393368973602
Energy: 0.7809785338142041
Energy: 0.8099298723395574
Energy: 0.690480892655189
Energy: 0.7465019288744401
Energy: 0.8617589597524067
Energy: 0.7288896004025228
Energy: 0.7287105731762571
Energy: 0.7672153562525456
Energy: 0.7295621208969864
Energy: 0.728630049699745
Energy: 0.824330484949223
Energy: 0.6870528795087936
Energy: 0.7094572797938425
Energy: 0.778711883125816
Energy: 0.6890278379787733
Energy: 0.748613814346804
Energy: 0.8246779594362593
Energy: 0.7160365311531783
Energy: 0.7261745663014081
Energy: 0.7814577718634436
Energy: 0.7438584476662324
Energy: 0.6925565071676187
Energy: 0.8234528665255899
Energy: 0.7149854828084324
Energy: 0.7320097588262505
Energy: 0.7797014879063715
Energy: 0.7165838942070518
Energy: 0.7319761909092818
Energy: 0.8563473853054792
Energy: 0.719623025102256
Energy: 0.71708713217844
Energy: 0.7600102024142701
Energy: 0.7446180078683251
Energy: 0.6922921554116294
Energy: 0.854802368804437
Energy: 0.7192054523209174
Energy: 0.7402557632618053
Energy: 0.7687683711937499
Energy: 0.7188696994160134
Energy: 0.7424707786876331
Energy: 0.8564873788224865
Energy: 0.7204587149863386
Energy: 0.719954459354471
Energy: 0.718055790963554
Energy: 0.7667997089335137
Energy: 0.7183720986062231
Energy: 0.9086349326746522
Energy: 0.7487479068546378
Energy: 0.749963604647525
Energy: 0.7757504170233055
Energy: 0.7008364609564224
Energy: 0.747646989585538
Energy: 0.8994870511842367
Energy: 0.7697113773947512
Energy: 0.7675343720703031
Energy: 0.7748723186957004
Energy: 0.7677455383597983
Energy: 0.7764341470425157
Energy: 0.9574606099743815
Energy: 0.7662708872015886
Energy: 0.7455942269158313
Energy: 0.6990898116990243
Energy: 0.8086200080602738
Energy: 0.7169751835055306
Energy: 1.1254544910689628
Energy: 0.7667709253234677
Energy: 0.7286701127825042
Energy: 0.7305477417017294
Energy: 0.7791580816519317
Energy: 0.729355039004139

minimum gb energy = 0.6870528795087936 eV
minimum distance =  2.58828225200411 Angstroms
sigma value = 51


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

Energy: 1.2252399516825572
Energy: 0.7426468721487794
Energy: 0.7180387785821298
Energy: 0.7867874443576379
Energy: 0.7422827477168799
Energy: 0.7862989861339248
Energy: 0.9175940342965352
Energy: 0.7237448660538129
Energy: 0.7540135978985079
Energy: 0.7571345487682644
Energy: 0.7236193077673128
Energy: 0.7666356767861715
Energy: 1.0609942534402066
Energy: 0.7512803977227359
Energy: 0.75214359517202
Energy: 0.757755138976434
Energy: 0.7545175416769814
Energy: 0.7240313945484905
Energy: 1.0494284593844705
Energy: 0.7245810577826169
Energy: 0.7537281509402104
Energy: 0.7490879875081048
Energy: 0.7242294685309363
Energy: 0.7556181244693955
Energy: 0.917503243112991
Energy: 0.7833942933138314
Energy: 0.7821495113533715
Energy: 0.7818553830324675
Energy: 0.7830470831507188
Energy: 0.781762266522237
Energy: 0.9228889265867436
Energy: 0.7827237123375206
Energy: 0.781787360928402
Energy: 0.7805024316790533
Energy: 0.7805602584674086
Energy: 0.7810686897895563
Energy: 0.9214088761750926
Energy: 0.7827658532164989
Energy: 0.7810736753812602
Energy: 0.7814249558426387
Energy: 0.7884236864629962
Energy: 0.7810713320621668
Energy: 0.9466298695106211
Energy: 0.7282169780336181
Energy: 0.7348434941684855
Energy: 0.7517510826574124
Energy: 0.7292366827021814
Energy: 0.734057135494338
Energy: 0.8269324959466674
Energy: 0.7210624455827492
Energy: 0.7281474727055293
Energy: 0.7517760518177914
Energy: 0.7211924935017262
Energy: 0.7245521289177974
Energy: 0.8290737846011296
Energy: 0.7639518527950808
Energy: 0.7564248462313106
Energy: 0.7562620479191237
Energy: 0.8155081927662661
Energy: 0.7235904365533085
Energy: 0.8277761488460953
Energy: 0.7220957159388035
Energy: 0.7499129351502087
Energy: 0.7664122044985776
Energy: 0.7555318236785745
Energy: 0.7220201705084286
Energy: 0.8407578591573557
Energy: 0.78366362388012
Energy: 0.7398384409752324
Energy: 0.7399012017696417
Energy: 0.7765172011989455
Energy: 0.7421950142712037
Energy: 0.8391331038016435
Energy: 0.7522621757997576
Energy: 0.7588399539369197
Energy: 0.7580457314843562
Energy: 0.7524133553228277
Energy: 0.7585102462565543
Energy: 0.8403987068059341
Energy: 0.7591542420820871
Energy: 0.7585892528519812
Energy: 0.7752249147458218
Energy: 0.7587500170074052
Energy: 0.7258239571476446
Energy: 0.9781428672162317
Energy: 0.7521363930351158
Energy: 0.7522349486235849
Energy: 0.7716083735072196
Energy: 0.7535465735177422
Energy: 0.7523432504192319
Energy: 0.9730189000985837
Energy: 0.7585282980042989
Energy: 0.7581516190771012
Energy: 0.7722774579157208
Energy: 0.7598686679448722
Energy: 0.7721232820493756
Energy: 0.9871852498677691
Energy: 0.7603157041134186
Energy: 0.7513517080969007
Energy: 0.7795004256871694
Energy: 0.7598314056350345
Energy: 0.7512260589493688
Energy: 1.124862571258394
Energy: 0.769110304869
Energy: 0.7613417300703869
Energy: 0.719152738332738
Energy: 0.7233857291138297
Energy: 0.7612840546352744

minimum gb energy = 0.7180387785821298 eV
minimum distance =  2.5650350307817 Angstroms
sigma value = 19


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

Energy: 1.010563593309956
Energy: 0.6851607781474601
Energy: 0.6789115524755324
Energy: 0.6808029596377353
Energy: 0.6845309507339449
Energy: 0.6791233902724508
Energy: 0.8575452617090179
Energy: 0.6824553096310985
Energy: 0.680175644761849
Energy: 0.6834966460469671
Energy: 0.658817561048766
Energy: 0.6579188379808978
Energy: 1.0219200832549886
Energy: 0.6866974564449572
Energy: 0.6862639932940527
Energy: 0.6580945468833946
Energy: 0.6882718173909449
Energy: 0.6865646609928829
Energy: 0.8509831334191617
Energy: 0.6881801560067166
Energy: 0.6868540149198071
Energy: 0.6755387182481886
Energy: 0.68837707309295
Energy: 0.6568331015166106
Energy: 1.0227402752455153
Energy: 0.7100489475662957
Energy: 0.6833841911580476
Energy: 0.6869262132529331
Energy: 0.7133489586940541
Energy: 0.6828869299634157
Energy: 0.8579266262777114
Energy: 0.6295275437638055
Energy: 0.682629719987414
Energy: 0.6853141026168029
Energy: 0.6294898947598463
Energy: 0.682555655938473
Energy: 0.8591000696519757
Energy: 0.6841780905285753
Energy: 0.6826461518180326
Energy: 0.684997786987136
Energy: 0.6401551635479572
Energy: 0.713864898403435
Energy: 0.847754952477656
Energy: 0.630086150348694
Energy: 0.6302896654320667
Energy: 0.7999918661721795
Energy: 0.6302869076781167
Energy: 0.6300745213991542
Energy: 0.7376032100419048
Energy: 0.6299638833220983
Energy: 0.629758033463703
Energy: 0.6837161579208891
Energy: 0.6299023274237417
Energy: 0.6296999173390442
Energy: 0.7379404538676241
Energy: 0.6574375910900799
Energy: 0.6569971861838371
Energy: 0.6575149544496032
Energy: 0.6839055437719029
Energy: 0.6815579160271293
Energy: 0.7365523452115726
Energy: 0.6760682985326875
Energy: 0.6761339243748727
Energy: 0.6598696789735411
Energy: 0.676429085535333
Energy: 0.6786478961640178
Energy: 0.8577761758817075
Energy: 0.6829458413812669
Energy: 0.6829221454087658
Energy: 0.6585615838549079
Energy: 0.6857109073356407
Energy: 0.6849884435519907
Energy: 0.7097082788453957
Energy: 0.6830058558053196
Energy: 0.6824887575242096
Energy: 0.6294460261146247
Energy: 0.6855716591952503
Energy: 0.6832617747173291
Energy: 0.8580228889192261
Energy: 0.6858698657445962
Energy: 0.7117203521496591
Energy: 0.6574511033885956
Energy: 0.6835425141462642
Energy: 0.6826362948375423
Energy: 0.9814068911529902
Energy: 0.6843397555397522
Energy: 0.6837187036107824
Energy: 0.6301652239312521
Energy: 0.6823209860434765
Energy: 0.6295569962279413
Energy: 0.9808692716489049
Energy: 0.6862174576258592
Energy: 0.6300269190068215
Energy: 0.6306229892697566
Energy: 0.6884944665841475
Energy: 0.6304086477920515
Energy: 1.0224871831723137
Energy: 0.6574140400572246
Energy: 0.6574286590056778
Energy: 0.684227227810874
Energy: 0.659772221089987
Energy: 0.657089514033398
Energy: 0.8512966975656979
Energy: 0.6868631369400523
Energy: 0.6835422455003917
Energy: 0.6757355542110964
Energy: 0.6860971733386968
Energy: 0.6568146693806453
Energy: 0.852032424360186
Energy: 0.6830321386551127
Energy: 0.6835125024105796
Energy: 0.6759934800338676
Energy: 0.6830163270153766
Energy: 0.6569801219417427
Energy: 0.8574273886696235
Energy: 0.6290806659913509
Energy: 0.6829697713960318
Energy: 0.683661123011683
Energy: 0.629363659994973
Energy: 0.6818471821088841
Energy: 0.8597451412647324
Energy: 0.6829529843395299
Energy: 0.6839212966116094
Energy: 0.6838929144431284
Energy: 0.7074852932095801
Energy: 0.6831313069292275
Energy: 0.8577753452710503
Energy: 0.6835023182565537
Energy: 0.6826335880060674
Energy: 0.6859419034834288
Energy: 0.6410272317311142
Energy: 0.7117364507591997
Energy: 0.8498728316607549
Energy: 0.6296701829780575
Energy: 0.67937878575207
Energy: 0.7723752866336083
Energy: 0.6295466643046679
Energy: 0.6788148403491648
Energy: 0.7369638588268221
Energy: 0.658301147517229
Energy: 0.6576276184906749
Energy: 0.6587147262197462
Energy: 0.6303964257509216
Energy: 0.6781913593102407
Energy: 0.7374879870580454
Energy: 0.6580704575604815
Energy: 0.6574189378938842
Energy: 0.68621858083149
Energy: 0.658275593370366
Energy: 0.6865027595786274
Energy: 0.8504456395951628
Energy: 0.6758725313691517
Energy: 0.6782270185214747
Energy: 0.80140957496786
Energy: 0.6763661025980326
Energy: 0.6847229596214058
Energy: 0.8574613403003263
Energy: 0.6836006245488971
Energy: 0.6840970623237154
Energy: 0.7125238144224689
Energy: 0.6861891405021311
Energy: 0.682594535716043
Energy: 0.7103192830228202
Energy: 0.6851064487390153
Energy: 0.6828687345864913
Energy: 0.6310409472297788
Energy: 0.6850617863636754
Energy: 0.6819552923594647
Energy: 0.8573628385783181
Energy: 0.7152994516320406
Energy: 0.7145232988969581
Energy: 0.6415275053990118
Energy: 0.6856994393646275
Energy: 0.7089353388556666
Energy: 0.9843205915407225
Energy: 0.6875895212745771
Energy: 0.6297689551096606
Energy: 0.6308511172127257
Energy: 0.6884785675081114
Energy: 0.6300364192660586

minimum gb energy = 0.6290806659913509 eV
minimum distance =  2.61845645076546 Angstroms
sigma value = 27


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

Energy: 0.8671564079858287
Energy: 0.7246521798042398
Energy: 0.7821317799528816
Energy: 0.6755230563390561
Energy: 1.345329863383903
Energy: 0.8450705554673615
Energy: 0.8688167943598233
Energy: 0.7266525579107185
Energy: 0.6720217705420672
Energy: 0.6739403784939383
Energy: 0.724986417765564
Energy: 0.672749078270904
Energy: 0.7893678827674264
Energy: 0.7184212958019903
Energy: 0.6718084834599153
Energy: 0.6718239923873972
Energy: 0.7200531612731028
Energy: 0.6727161889754321
Energy: 0.7944858519104124
Energy: 0.7179911761675809
Energy: 0.6724863287281841
Energy: 0.6717884828991598
Energy: 0.7184035623990329
Energy: 0.6711775935070677
Energy: 0.8690411428180884
Energy: 0.6406959421310618
Energy: 0.6738951435630535
Energy: 0.7179741506962343
Energy: 0.6412296161213978
Energy: 0.6730862436826675
Energy: 0.748167631766721
Energy: 0.6410850246069554
Energy: 0.640813743065764
Energy: 0.7192828908592461
Energy: 0.6421249553060433
Energy: 0.6407850769085137
Energy: 0.7535696150526401
Energy: 0.6747519043531595
Energy: 0.6726629732291812
Energy: 0.7261466443297869
Energy: 0.6717869215264967
Energy: 0.6727608862085445
Energy: 0.752657475273063
Energy: 0.6683009559502162
Energy: 0.6679015005803963
Energy: 0.7245864736295201
Energy: 0.7073792059185576
Energy: 0.6688136983717603
Energy: 0.7943732989043868
Energy: 0.6727976372754914
Energy: 0.6673590274318614
Energy: 0.724207230720344
Energy: 0.6687213601044981
Energy: 0.6716338748347341
Energy: 0.7063989456013524
Energy: 0.6786534328562124
Energy: 0.6771527802681745
Energy: 0.6788998554717516
Energy: 0.6804526927477529
Energy: 0.6767930758512422
Energy: 0.795738062043111
Energy: 0.6790922207572064
Energy: 0.6784948547712106
Energy: 0.677486891893174
Energy: 0.7033771182480806
Energy: 0.679581519949306
Energy: 0.7015034109057762
Energy: 0.6712203079366583
Energy: 0.6716094822413221
Energy: 0.6727441634460639
Energy: 0.6714021385454794
Energy: 0.672131987651716

minimum gb energy = 0.6406959421310618 eV
minimum distance =  2.55638317378385 Angstroms
sigma value = 9


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

Energy: 1.5231208994566594
Energy: 0.6273211991125923
Energy: 0.6360857126818571
Energy: 0.6156333851593271
Energy: 0.6270200445282027
Energy: 0.700879249895956
Energy: 0.7194996988962509
Energy: 0.6452036554542565
Energy: 0.6084274081794626
Energy: 0.6327582594102754
Energy: 0.6450021391048628
Energy: 0.637818155179328
Energy: 0.6816945599043397
Energy: 0.6489844706482443
Energy: 0.6381632186772339
Energy: 0.6594830078481503
Energy: 0.6453534556253284
Energy: 0.6397633355285135
Energy: 0.6849536304325117
Energy: 0.6073682845081547
Energy: 0.6074516496156404
Energy: 0.6589965514680111
Energy: 0.6489528782386599
Energy: 0.6069271295032207
Energy: 0.7337523390017442
Energy: 0.6423450484798039
Energy: 0.6095172362098745
Energy: 0.6703194744790503
Energy: 0.6421051385882457
Energy: 0.6088096711856187
Energy: 0.6699026242048984
Energy: 0.6591388738003958
Energy: 0.6099359728768701
Energy: 0.6698423793022654
Energy: 0.6587961539824112
Energy: 0.6387458833411793
Energy: 0.6693855200702648
Energy: 0.6076217515726727
Energy: 0.6086133792512339
Energy: 0.6710689259722473
Energy: 0.6120621342000118
Energy: 0.6124305382294365
Energy: 0.6710214894399268
Energy: 0.6670124006146647
Energy: 0.6105992125178035
Energy: 0.6706068522923474
Energy: 0.6666011581123856
Energy: 0.6088098963836174
Energy: 0.6496480850378437
Energy: 0.6469179927168718
Energy: 0.6099503636832475
Energy: 0.6536506187889691
Energy: 0.6590205326239891
Energy: 0.6386860527201148
Energy: 0.6364472242301925
Energy: 0.6397601993452486
Energy: 0.6419954510007722
Energy: 0.653354326459207
Energy: 0.6607287987271527
Energy: 0.6429537932422488
Energy: 0.6363636265019073
Energy: 0.6711857689638486
Energy: 0.6511814079498042
Energy: 0.6486506055654183
Energy: 0.6699495405884094
Energy: 0.6109541525722763
Energy: 0.6486759398407153
Energy: 0.6702110474107987
Energy: 0.6420422975832416
Energy: 0.6318092274199096
Energy: 0.6712798661760359
Energy: 0.6087758357308001
Energy: 0.9107835778782974
Energy: 0.6550489488730477
Energy: 0.6948853418153235
Energy: 0.6233220992030035
Energy: 0.6566082887926218
Energy: 0.6816597918649367
Energy: 0.7411207900931134
Energy: 0.6760162545186666
Energy: 0.6423992155197376
Energy: 0.6309529561334244
Energy: 0.6703970349127204
Energy: 0.6093463930261627
Energy: 0.6635000865169853
Energy: 0.6528746904692688
Energy: 0.6553520104840833
Energy: 0.6494409044211127
Energy: 0.6562811963149675
Energy: 0.682730421514221
Energy: 0.6605392500074819
Energy: 0.6324208490680405
Energy: 0.6305815171250737
Energy: 0.6457945742831626
Energy: 0.6626537595581876
Energy: 0.6408541452978124
Energy: 0.6602082169129445
Energy: 0.6077707043132208
Energy: 0.6071358342890498
Energy: 0.6456796692981122
Energy: 0.625360433404017
Energy: 0.6339240462489343
Energy: 0.7193624804912933
Energy: 0.6330101529732312
Energy: 0.6076228249935327
Energy: 0.6440157469822626
Energy: 0.6437563799794513
Energy: 0.6499421849032834
Energy: 0.681343220079976
Energy: 0.6360119515661528
Energy: 0.6268914669487466
Energy: 0.6484078599250936
Energy: 0.6354603762304819
Energy: 0.6323851929993834
Energy: 0.6830960449390309
Energy: 0.6396770148028749
Energy: 0.6352346387230831
Energy: 0.6331120263422713
Energy: 0.63432871592381
Energy: 0.6302991066940592
Energy: 0.6814316464582921
Energy: 0.6391054074189354
Energy: 0.632907870613077
Energy: 0.6644513975130304
Energy: 0.6345294714768541
Energy: 0.6357713800179978
Energy: 0.6986135651126362
Energy: 0.6452839434493991
Energy: 0.6204513768205424
Energy: 0.6415669313062321
Energy: 0.6447209206880153
Energy: 0.6367081290201678
Energy: 0.6920480032669107
Energy: 0.645451665645302
Energy: 0.6256886873880577
Energy: 0.6414893052558928
Energy: 0.6457241562608459
Energy: 0.6030637408268439
Energy: 0.6808039872138156
Energy: 0.6490587641104947
Energy: 0.6387199518479679
Energy: 0.6669926226327403
Energy: 0.6468490341470848
Energy: 0.6335115197737594
Energy: 0.911973358052208
Energy: 0.6492138588187721
Energy: 0.6589681869483442
Energy: 0.669610044369023
Energy: 0.6471331952769785
Energy: 0.6129323752100915
Energy: 0.6809598242548546
Energy: 0.6095199992049701
Energy: 0.6092027073734224
Energy: 0.6641687303046939
Energy: 0.6318606439798086
Energy: 0.6409190941939708
Energy: 0.6490072173045235
Energy: 0.6005157689649901
Energy: 0.6035301376231565
Energy: 0.6498077884148186
Energy: 0.6097815767014353
Energy: 0.6508044745146342
Energy: 0.6710174177125406
Energy: 0.6078111072502272
Energy: 0.6084917233767183
Energy: 0.6694003889700941
Energy: 0.6271788524816334
Energy: 0.6089164414470554
Energy: 0.6721304495116018
Energy: 0.6327428175223404
Energy: 0.609193804033705
Energy: 0.6720786095570308
Energy: 0.6520993811299124
Energy: 0.6486078360284212
Energy: 0.6491403969447584
Energy: 0.6680388853264825
Energy: 0.6103468967046909
Energy: 0.6717661569503941
Energy: 0.6659809195374222
Energy: 0.6424549583196176
Energy: 0.636925483131996
Energy: 0.6601741247015279
Energy: 0.640403394059057
Energy: 0.6477954322767561
Energy: 0.6543908284083136
Energy: 0.6099607423152071
Energy: 0.8635229980588761
Energy: 0.67086829236561
Energy: 0.6359492042896213
Energy: 0.6596602237430093
Energy: 0.6709536756932322
Energy: 0.6086198124612936
Energy: 0.6666653404975944
Energy: 0.6783211649536836
Energy: 0.6684426175127227
Energy: 0.6366599501658873
Energy: 0.6723317409046479
Energy: 0.6082115936223441
Energy: 0.6687377425264831
Energy: 0.6703705856480882
Energy: 0.6557629543463508
Energy: 0.6440394406835801
Energy: 0.6705610730156675
Energy: 0.6089617606445432
Energy: 0.6641544742899196
Energy: 0.6555760011227251
Energy: 0.6090745782221515
Energy: 0.6497685905041585
Energy: 0.670794063111443
Energy: 0.6087349226044324
Energy: 0.667217941741142
Energy: 0.6606970435241861
Energy: 0.6518131958625031
Energy: 0.691465691249647
Energy: 0.6610847881128442
Energy: 0.607101637516741
Energy: 0.6621345052277295
Energy: 0.6475383869960059
Energy: 0.632692239379587
Energy: 0.6455916427377708
Energy: 0.6585450993773647
Energy: 0.6401668946180978
Energy: 0.6604437089683951
Energy: 0.6365401054904826
Energy: 0.6281217289077441
Energy: 0.6458363112505454
Energy: 0.6336573605696436
Energy: 0.6305857269596713
Energy: 0.6276408004450404
Energy: 0.6427826835195216
Energy: 0.6172491358554251
Energy: 0.6276833822821222
Energy: 0.6307544395293491
Energy: 0.6397713164890162
Energy: 0.6809650012439197
Energy: 0.6365838278557576
Energy: 0.6280976979989243
Energy: 0.6462299671065954
Energy: 0.6328203065253302
Energy: 0.6292022279990755
Energy: 0.6793156183392334
Energy: 0.6248473553445261
Energy: 0.6282481878327053
Energy: 0.6303241815357542
Energy: 0.6390736463067539
Energy: 0.6405742339021663
Energy: 0.6817656408674965
Energy: 0.6355601837273644
Energy: 0.6258164360617444
Energy: 0.6304531528569869
Energy: 0.6344080904358705
Energy: 0.6319396446567429
Energy: 0.6923108814947991
Energy: 0.6269392371161749
Energy: 0.630194736148695
Energy: 0.6417131754519798
Energy: 0.64494008112153
Energy: 0.6029695963820718

minimum gb energy = 0.6005157689649901 eV
minimum distance =  2.55697329410113 Angstroms
sigma value = 57


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

Energy: 0.2827036811164857
Energy: 0.32801914973900315
Energy: 0.3409488775350104
Energy: 0.2860456537982946
Energy: 0.3279585845332105
Energy: 0.2844971205023785
Energy: 0.3774507134744106
Energy: 0.2997902791703813
Energy: 0.3030386604199036
Energy: 0.32892662104081255
Energy: 0.3014542741806887
Energy: 0.3238657642360162
Energy: 0.3782005128431692
Energy: 0.29895602677638755
Energy: 0.3002275370466325
Energy: 0.3296017792120412
Energy: 0.3287690747944932
Energy: 0.32956566882589855
Energy: 0.3778688606147552
Energy: 0.29907640927377116
Energy: 0.3000637863847324
Energy: 0.329566996009586
Energy: 0.3318209722829709
Energy: 0.32875336609106653
Energy: 0.37718972336005757
Energy: 0.2919778040205369
Energy: 0.3184309062065108
Energy: 0.3302576755369779
Energy: 0.28405936270450033
Energy: 0.33952011123901277
Energy: 0.3285920452442464
Energy: 0.28424883392445827
Energy: 0.2870442513709261
Energy: 0.2993284986626548
Energy: 0.2837650577465971
Energy: 0.31354055600739217
Energy: 0.3262942337187646
Energy: 0.29925636043063225
Energy: 0.3349865519649529
Energy: 0.3283554500767891
Energy: 0.3028055190747269
Energy: 0.32710273220673575
Energy: 0.32842380011163697
Energy: 0.29924319678125344
Energy: 0.30031395060581584
Energy: 0.32854178125364286
Energy: 0.30299649637103854
Energy: 0.30132076615071585
Energy: 0.37715298552099047
Energy: 0.30027144452174526
Energy: 0.33002524788091064
Energy: 0.3284168977774445
Energy: 0.33227886371888943
Energy: 0.29997796305836055
Energy: 0.28348591922088395
Energy: 0.3057311489455312
Energy: 0.2859178894100107
Energy: 0.28395785945894436
Energy: 0.3323400335913037
Energy: 0.3140161447505533
Energy: 0.28373320801615487
Energy: 0.2994439264217073
Energy: 0.332012088084806
Energy: 0.28379057871859803
Energy: 0.3003241361622537
Energy: 0.2881692493006138
Energy: 0.37877314252469957
Energy: 0.3337117271017248
Energy: 0.3259145395365641
Energy: 0.330791447701616
Energy: 0.33041709962059135
Energy: 0.3225863497693911
Energy: 0.5398973650141194
Energy: 0.32935990721707664
Energy: 0.34813606908183703
Energy: 0.30506721889131644
Energy: 0.37859011652418967
Energy: 0.3458333076983884
Energy: 0.3783887573506936
Energy: 0.33077025382739506
Energy: 0.32674950704691597
Energy: 0.3311706660349676
Energy: 0.33053789978699755
Energy: 0.3387918312845512
Energy: 0.37844021088640334
Energy: 0.28364456178151204
Energy: 0.2845021631212184
Energy: 0.33001961414587766
Energy: 0.29007556148836505
Energy: 0.2848215910366469
Energy: 0.3286063593049699
Energy: 0.3057196655537792
Energy: 0.3260973837436291
Energy: 0.330480922823824
Energy: 0.28456769763592316
Energy: 0.339290013286693
Energy: 0.32837820029331466
Energy: 0.3338127460138857
Energy: 0.33549274922312305
Energy: 0.3284171715591696
Energy: 0.32962910301544285
Energy: 0.3006389270320966
Energy: 0.37771995059201274
Energy: 0.3000329798829241
Energy: 0.3018803600041107
Energy: 0.3783771598995552
Energy: 0.30333737636758307
Energy: 0.3017179550676227
Energy: 0.2834409095120755
Energy: 0.2986556460469518
Energy: 0.33436921328658104
Energy: 0.2841012711706337
Energy: 0.3063787364045505
Energy: 0.32531949494638884

minimum gb energy = 0.2827036811164857 eV
minimum distance =  2.60958764030144 Angstroms
sigma value = 11


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

Energy: 0.8812086051205177
Energy: 0.5642138453233412
Energy: 0.5694955949277697
Energy: 0.5804743951492135
Energy: 0.5876553112809512
Energy: 0.5640721207955842
Energy: 0.5536304445807639
Energy: 0.5667740976926587
Energy: 0.58515143638664
Energy: 0.5528524359853837
Energy: 0.55899865780629
Energy: 0.5870541112109067
Energy: 0.5519276201654877
Energy: 0.5611055404273547
Energy: 0.5661524885058121
Energy: 0.5548522687867086
Energy: 0.5584883947463629
Energy: 0.5542363667887538
Energy: 0.5514888907118243
Energy: 0.5694990845680962
Energy: 0.5753884018342337
Energy: 0.5533535035743683
Energy: 0.5673820751180849
Energy: 0.5671172491305501
Energy: 0.5541610845133914
Energy: 0.5651949480131545
Energy: 0.5625527875867637
Energy: 0.5644912341694185
Energy: 0.5717627590293377
Energy: 0.5751170312906334
Energy: 0.6114768735839966
Energy: 0.5771646013697578
Energy: 0.5621007029305453
Energy: 0.5703954224920478
Energy: 0.5742654713247695
Energy: 0.5671052718662051
Energy: 0.6077470480097792
Energy: 0.5621609251808034
Energy: 0.5609203190830675
Energy: 0.5547039793509492
Energy: 0.5577425236536705
Energy: 0.5578668881648897
Energy: 0.5909152677341641
Energy: 0.6191638131288756
Energy: 0.5557216855385537
Energy: 0.593755254231233
Energy: 0.6166388452820885
Energy: 0.5629819788772181
Energy: 0.6099016098206516
Energy: 0.557976377398187
Energy: 0.5768737420305705
Energy: 0.5852321477557352
Energy: 0.5648591262499656
Energy: 0.5764555036607988
Energy: 0.7714192199445217
Energy: 0.566824568244535
Energy: 0.5668690093464599
Energy: 0.5481868562028084
Energy: 0.5694945810341708
Energy: 0.5835087261996382
Energy: 0.6539366736884629
Energy: 0.5649236656762723
Energy: 0.5635616060209553
Energy: 0.5656917629992185
Energy: 0.5883194126794357
Energy: 0.5633411467356354
Energy: 0.6051059249110403
Energy: 0.5323560407889503
Energy: 0.5778415376706477
Energy: 0.5859364551446765
Energy: 0.5344418924938087
Energy: 0.5836773139051785
Energy: 0.7002050585630972
Energy: 0.5328088708314379
Energy: 0.5859309530330181
Energy: 0.5653515354826193
Energy: 0.5344089688735949
Energy: 0.5866107383522231
Energy: 0.6287327534957136
Energy: 0.564797317040018
Energy: 0.5621249712716752
Energy: 0.5865841925976042
Energy: 0.569088711258876
Energy: 0.5642566021665998
Energy: 0.6680055453054075
Energy: 0.56708207226292
Energy: 0.5716348311264332
Energy: 0.5810198649332345
Energy: 0.5657089287870847
Energy: 0.5783333153656429
Energy: 0.800237668205612
Energy: 0.5654883409093012
Energy: 0.5634118186029894
Energy: 0.5858003175911793
Energy: 0.5706983148009086
Energy: 0.5641097352103072
Energy: 0.8572538656145668
Energy: 0.5644445846967927
Energy: 0.5433406591478819
Energy: 0.545753189831186
Energy: 0.5916788156535492
Energy: 0.5442091916096278
Energy: 0.6680440479506012
Energy: 0.5808994494102456
Energy: 0.5666146127663414
Energy: 0.5772664497228264
Energy: 0.5817053199453383
Energy: 0.5660627116824329
Energy: 0.6567683604688251
Energy: 0.5689805198855205
Energy: 0.5722011772793073
Energy: 0.5576973291365596
Energy: 0.5771187091558269
Energy: 0.56470637310438
Energy: 0.7187634615224797
Energy: 0.5644173081502748
Energy: 0.5767215088038626
Energy: 0.5597142310662242
Energy: 0.5751160163403417
Energy: 0.5801056891170109
Energy: 0.8002096408758489
Energy: 0.565794492029515
Energy: 0.5638456597256394
Energy: 0.5630990161982352
Energy: 0.5635632845199082
Energy: 0.5645625057057899
Energy: 0.7864360700963233
Energy: 0.5792175521673788
Energy: 0.572346486932314
Energy: 0.6017186331340673
Energy: 0.5816995697554104
Energy: 0.5804135971772061
Energy: 0.552953377288359
Energy: 0.5780113493650275
Energy: 0.5775153369633974
Energy: 0.5575279175185353
Energy: 0.5657386688100347
Energy: 0.5765624031716846
Energy: 0.6132923243788653
Energy: 0.5620586251144906
Energy: 0.5544893921909403
Energy: 0.6142748105862283
Energy: 0.5565595340438544
Energy: 0.5662979547826973
Energy: 0.5530403881971564
Energy: 0.5602541398174714
Energy: 0.5852565333203265
Energy: 0.5506724363932781
Energy: 0.5548755841986325
Energy: 0.5758807412369987
Energy: 0.6461926173030274
Energy: 0.5697230513292931
Energy: 0.57458645607182
Energy: 0.5799311236297707
Energy: 0.591004173477569
Energy: 0.5620359556353198

minimum gb energy = 0.5323560407889503 eV
minimum distance =  2.5610530773178 Angstroms
sigma value = 41


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

Energy: 1.2911691576968893
Energy: 0.6397054407150072
Energy: 0.5873563632858576
Energy: 0.5919322632951867
Energy: 0.6566316696132235
Energy: 0.690977495092025
Energy: 0.6870229688560383
Energy: 0.6127820142718506
Energy: 0.6147292898208613
Energy: 0.6108644297693264
Energy: 0.6100608694777234
Energy: 0.6161282684975171
Energy: 0.6827417227531157
Energy: 0.6034412146785831
Energy: 0.5937190598291981
Energy: 0.7146995343221935
Energy: 0.5942029564050821
Energy: 0.6077257540729545
Energy: 0.6833583669010352
Energy: 0.6158715008213743
Energy: 0.6177786614622855
Energy: 0.711500880716148
Energy: 0.6040468547840229
Energy: 0.622794410658734
Energy: 0.6874258093604592
Energy: 0.6669010331912758
Energy: 0.6489253090779289
Energy: 0.617810035188269
Energy: 0.6704833341781122
Energy: 0.636470631876455
Energy: 0.850108873447564
Energy: 0.6837997853381258
Energy: 0.6815601760517521
Energy: 0.7411277011165623
Energy: 0.6812640277797325
Energy: 0.6801288900768541
Energy: 0.8455544715479815
Energy: 0.6048720606423857
Energy: 0.6029190687410061
Energy: 0.638691010097646
Energy: 0.6034037149963385
Energy: 0.6054665335291802
Energy: 0.7419340697516474
Energy: 0.7752722945052775
Energy: 0.7037779958570808
Energy: 0.6191750313623995
Energy: 0.6936413564763606
Energy: 0.6243410972859125
Energy: 0.8454128606618881
Energy: 0.7268142752179158
Energy: 0.6282229455340125
Energy: 0.6296883538213166
Energy: 0.7051727591564098
Energy: 0.7240938558927087
Energy: 0.7709748289890391
Energy: 0.7100629697317867
Energy: 0.6701267178532486
Energy: 0.6669544597984102
Energy: 0.7214462875689818
Energy: 0.6826415824803094
Energy: 0.7697786577951797
Energy: 0.6708226773724312
Energy: 0.6962860530780234
Energy: 0.6705368494813481
Energy: 0.6679884578534852
Energy: 0.6723323507853657
Energy: 0.8473567351155858
Energy: 0.6471736665642137
Energy: 0.6454015564288681
Energy: 0.6988888481540909
Energy: 0.6585291181353283
Energy: 0.6760329336075768
Energy: 0.7290450048852096
Energy: 0.6615758407070906
Energy: 0.662600895753238
Energy: 0.7053305291882022
Energy: 0.6519624350051563
Energy: 0.6308684978074425
Energy: 0.7188732921808642
Energy: 0.6938480253562512
Energy: 0.6974238844329089
Energy: 0.7123173255142159
Energy: 0.6692230471102553
Energy: 0.6687614427472803
Energy: 0.7182343445460158
Energy: 0.7160757438978193
Energy: 0.7026352611772776
Energy: 0.7182705041470628
Energy: 0.71559572845657
Energy: 0.7085657973856637
Energy: 0.7390148403970412
Energy: 0.6746747297587887
Energy: 0.6782816002133335
Energy: 0.6946647003510575
Energy: 0.690246670716821
Energy: 0.6819773409233852
Energy: 1.1510338284037795
Energy: 0.6755846612452169
Energy: 0.5862962680420916
Energy: 0.5702630304104711
Energy: 0.6810720060496527
Energy: 0.6270501615367795
Energy: 0.6304284626847477
Energy: 0.6933859139008214
Energy: 0.670955269498216
Energy: 0.6450961980807597
Energy: 0.6698896262698599
Energy: 0.5881926384255227
Energy: 0.7208902036333532
Energy: 0.6928138659332547
Energy: 0.6883599846938075
Energy: 0.7070984459125178
Energy: 0.703251195712147
Energy: 0.6878176844762653
Energy: 0.7199126444239745
Energy: 0.6662131989328965
Energy: 0.6889075959185549
Energy: 0.7178203422464434
Energy: 0.6639506727487271
Energy: 0.6916502146071134
Energy: 0.7258783409877008
Energy: 0.6576627415014124
Energy: 0.6561972411598926
Energy: 0.7035505207155638
Energy: 0.6581963239959746
Energy: 0.6549374005407238
Energy: 0.8875530447161779
Energy: 0.6947041715096314
Energy: 0.6481602066342756
Energy: 0.7672396900209361
Energy: 0.6893795087264798
Energy: 0.6467798900596258
Energy: 0.8446933279954826
Energy: 0.6571079721728531
Energy: 0.6568864807850476
Energy: 0.7028580835620193
Energy: 0.660537994169847
Energy: 0.6559982744286482
Energy: 0.7413103291428017
Energy: 0.6967223982593416
Energy: 0.6654942439563903
Energy: 0.6201568799645424
Energy: 0.6968059288922184
Energy: 0.6208418625592501
Energy: 0.8451819722975923
Energy: 0.6756180589385584
Energy: 0.6754731254005955
Energy: 0.6574062888040854
Energy: 0.7031084019869704
Energy: 0.6763401936765022
Energy: 0.7694673017280615
Energy: 0.7300515532824109
Energy: 0.6068203064800691
Energy: 0.6665874602585895
Energy: 0.7354719395752934
Energy: 0.7055503343238072
Energy: 0.772010278859418
Energy: 0.6144978386428542
Energy: 0.6173991931104282
Energy: 0.6672055024508419
Energy: 0.6101444350356484
Energy: 0.6189217873165678
Energy: 0.8445845305726484
Energy: 0.6371595084786307
Energy: 0.6256907888123084
Energy: 0.6312475701967175
Energy: 0.6429382650153112
Energy: 0.6313922044855398
Energy: 0.6882486362022057
Energy: 0.6566688445942773
Energy: 0.6700798294831855
Energy: 0.6220758200321935
Energy: 0.6492864177080245
Energy: 0.6894451126293961
Energy: 0.7344899754394131
Energy: 0.6399393287289087
Energy: 0.6424257883184464
Energy: 0.6410499402755608
Energy: 0.6358064051589912
Energy: 0.6436756064437147
Energy: 0.6844347878532955
Energy: 0.5949844708893425
Energy: 0.6781160645064939
Energy: 0.7130667432015653
Energy: 0.6019445140089943
Energy: 0.6835989308060099
Energy: 0.6839326112247688
Energy: 0.6087491158729865
Energy: 0.6193771712370275
Energy: 0.627449890666237
Energy: 0.5903306980077476
Energy: 0.6224832121649405
Energy: 0.8516274652221263
Energy: 0.6217522857652539
Energy: 0.5870528939598394
Energy: 0.5672171806096843
Energy: 0.6143079281841693
Energy: 0.6450132619521642

minimum gb energy = 0.5672171806096843 eV
minimum distance =  2.48927279325032 Angstroms
sigma value = 33


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

Energy: 0.7445803274910943
Energy: 0.6923338181371281
Energy: 0.613225851728894
Energy: 0.7462333034965952
Energy: 0.6839351599929864
Energy: 0.6123615670594652
Energy: 0.6951850627568511
Energy: 0.651423669950079
Energy: 0.6522554374608097
Energy: 0.6339163865308431
Energy: 0.6649980763141747
Energy: 0.6525736080616001
Energy: 0.6652686234500432
Energy: 0.6344984447097904
Energy: 0.6322674992245426
Energy: 0.6375760199203058
Energy: 0.6361220581264979
Energy: 0.6308532551688207
Energy: 0.6608759653632753
Energy: 0.6465581588872704
Energy: 0.6322795403875785
Energy: 0.6601666344699855
Energy: 0.6354861796907509
Energy: 0.6325700446860911
Energy: 0.7132662563177135
Energy: 0.6440876553989707
Energy: 0.6179923751150508
Energy: 0.6969024024202386
Energy: 0.6494720637437653
Energy: 0.6175287662575917
Energy: 0.7143427150255538
Energy: 0.6301232175609562
Energy: 0.6289349478973696
Energy: 0.6858050843219476
Energy: 0.6339871981070907
Energy: 0.6305522241709116
Energy: 0.7074444640624038
Energy: 0.6482498923928799
Energy: 0.6459600003397539
Energy: 0.6757881276729015
Energy: 0.6495904068965898
Energy: 0.6466759492569573
Energy: 0.7445132471172685
Energy: 0.6411600090487707
Energy: 0.6105086892843711
Energy: 0.609923282438501
Energy: 0.6336902390999728
Energy: 0.6102956197176269
Energy: 0.7058385188559954
Energy: 0.6378187479359296
Energy: 0.6646426193519518
Energy: 0.6211347822474333
Energy: 0.6198982768118503
Energy: 0.6718340022017218
Energy: 0.7076497187907256
Energy: 0.6361310363531691
Energy: 0.6339354642589967
Energy: 0.6370829589008482
Energy: 0.6350917314221903
Energy: 0.632579131060379
Energy: 0.7079708837396852
Energy: 0.6349058128084504
Energy: 0.6324470054929964
Energy: 0.6607288812955241
Energy: 0.6778602056863644
Energy: 0.6310759294556193
Energy: 0.7118068586663692
Energy: 0.6551848674472831
Energy: 0.6125951712365849
Energy: 0.6835400412198028
Energy: 0.6333357241523895
Energy: 0.607686450338272
Energy: 0.7106303940127647
Energy: 0.6073647187461482
Energy: 0.6069104353328791
Energy: 0.688840429292704
Energy: 0.6112579264433143
Energy: 0.6086035605812745
Energy: 0.6596502596854555
Energy: 0.6351876680998527
Energy: 0.6327033121312319
Energy: 0.6603931224377216
Energy: 0.6637240167337023
Energy: 0.6318820288419478
Energy: 0.6103683930089715
Energy: 0.637154656326487
Energy: 0.6351921619912895
Energy: 0.6340583662788867
Energy: 0.6403124775187644
Energy: 0.6343583986305665
Energy: 0.6635903958900953
Energy: 0.6507406947413586
Energy: 0.6504575091624472
Energy: 0.6510961560693839
Energy: 0.663043873642169
Energy: 0.6342497401525318
Energy: 0.7082043275470754
Energy: 0.6335233381665908
Energy: 0.6345559717178665
Energy: 0.6351467153936372
Energy: 0.6874697482831073
Energy: 0.6322966304957278
Energy: 0.709762620766212
Energy: 0.6176017319391255
Energy: 0.6173285580654074
Energy: 0.6738573735143258
Energy: 0.6808275346112096
Energy: 0.6174243221181973
Energy: 0.6594461728066425
Energy: 0.6093023134478555
Energy: 0.6100586007213575
Energy: 0.6344566932372039
Energy: 0.6101237862677663
Energy: 0.6313240915868493
Energy: 0.6667872573197319
Energy: 0.6090729841060204
Energy: 0.6072553018589426
Energy: 0.6342161558215028
Energy: 0.6101064147709966
Energy: 0.6311590899501955
Energy: 0.6182562209460774
Energy: 0.647896745049665
Energy: 0.6488232730709811
Energy: 0.6198640170594867
Energy: 0.651325634216948
Energy: 0.6468983011324533
Energy: 0.685236432462446
Energy: 0.632463366811336
Energy: 0.6322456271299652
Energy: 0.6841159309413185
Energy: 0.635366227603427
Energy: 0.6351378819556492
Energy: 0.665041679391044
Energy: 0.649589282647528
Energy: 0.6521938586684038
Energy: 0.6324755110366037
Energy: 0.6780736338007334
Energy: 0.6462204836709395
Energy: 0.7433995487866168
Energy: 0.634934964317897
Energy: 0.6068538243270876
Energy: 0.6125757398233598
Energy: 0.6977986841830275
Energy: 0.6068103453770468
Energy: 0.7104930167887091
Energy: 0.6550026979726983
Energy: 0.6560105374062347
Energy: 0.6417270261446294
Energy: 0.652633986437936
Energy: 0.6175080302674895
Energy: 0.6612987652332991
Energy: 0.6343532122622508
Energy: 0.6318433283261825
Energy: 0.6368679791373508
Energy: 0.636766516124647
Energy: 0.631436692110963
Energy: 0.6643912491278604
Energy: 0.6327134919616924
Energy: 0.6304769819161893
Energy: 0.6393359752873848
Energy: 0.6516163798940735
Energy: 0.6318506475234201
Energy: 0.6625062758368965
Energy: 0.6425214639251162
Energy: 0.6180820060728749
Energy: 0.6781518193915895
Energy: 0.6456859290764504
Energy: 0.6176843844275512
Energy: 0.7183244794197797
Energy: 0.6294749430033085
Energy: 0.6296763994631239
Energy: 0.6855231701928852
Energy: 0.6329401578291531
Energy: 0.6320889881409316
Energy: 0.7051273326103735
Energy: 0.6352575025879749
Energy: 0.643800441131931
Energy: 0.6767358277045465
Energy: 0.6338155273898293
Energy: 0.6503046077270782
Energy: 0.7449037791776981
Energy: 0.6351349242373098
Energy: 0.6093057742747485
Energy: 0.7457200570029355
Energy: 0.6842235548103404
Energy: 0.60950204207671
Energy: 0.7077851940886203
Energy: 0.6370713924703887
Energy: 0.6448728679657405
Energy: 0.6513317082576779
Energy: 0.634094389014473
Energy: 0.6478638651304572
Energy: 0.7078876851250262
Energy: 0.6372944701089653
Energy: 0.6325170040527904
Energy: 0.6381563277324994
Energy: 0.6347179577076861
Energy: 0.6311797079465145
Energy: 0.7083918734850084
Energy: 0.6337600163140189
Energy: 0.6319586461580388
Energy: 0.6350692114543564
Energy: 0.6609725012156193
Energy: 0.6313046841519991
Energy: 0.7081463847013115
Energy: 0.6540248010730538
Energy: 0.6595117987939917
Energy: 0.678974897358215
Energy: 0.6427500960462618
Energy: 0.6173876081954545
Energy: 0.7101898104735023
Energy: 0.6178512025839964
Energy: 0.6074482674506892
Energy: 0.6899036765902027
Energy: 0.6121378159579438
Energy: 0.6067944308388998
Energy: 0.6603403827625769
Energy: 0.6369537170851909
Energy: 0.6346562644147992
Energy: 0.661520514568185
Energy: 0.6545944273910745
Energy: 0.6499669872564671
Energy: 0.6117737997242324
Energy: 0.6372126417998165
Energy: 0.6352863188308315
Energy: 0.6139985196944904
Energy: 0.6368612267328935
Energy: 0.6346710725682131
Energy: 0.6608366166462333
Energy: 0.6382257843057295
Energy: 0.6319067968525692
Energy: 0.6506008558023434
Energy: 0.6614860939763328
Energy: 0.6328539235857097
Energy: 0.706932338572937
Energy: 0.6798407902503228
Energy: 0.6179320989156457
Energy: 0.6503061535568164
Energy: 0.6869756834443398
Energy: 0.6300433358427577
Energy: 0.709910311765804
Energy: 0.6175026607595249
Energy: 0.6169361859918041
Energy: 0.6521020314122691
Energy: 0.6865823747193981
Energy: 0.6180381574108219
Energy: 0.6586769476730513
Energy: 0.6094733284311341
Energy: 0.6089335640966438
Energy: 0.6334529473622356
Energy: 0.6117414784617686
Energy: 0.6311526063418118
Energy: 0.6705584624261922
Energy: 0.6092606490551032
Energy: 0.6093226361286842
Energy: 0.6351122055327358
Energy: 0.6092460398612607
Energy: 0.6103549374113694
Energy: 0.6170388658773684
Energy: 0.6191659791577327
Energy: 0.6170745130958596
Energy: 0.6186068151263789
Energy: 0.6183726849259782
Energy: 0.6186451899350005
Energy: 0.6820854862219992
Energy: 0.6348328597019124
Energy: 0.6352914543033062
Energy: 0.6340238343964366
Energy: 0.6336219269424144
Energy: 0.6375539259673584
Energy: 0.6619117248967684
Energy: 0.6474427101766577
Energy: 0.6501957546616458
Energy: 0.6985809665237555
Energy: 0.6771466417208489
Energy: 0.6478442833161192
Energy: 0.7044611894348284
Energy: 0.6172473827723598
Energy: 0.6068007926195507
Energy: 0.6102020991061897
Energy: 0.6887855399910838
Energy: 0.607207348069513

minimum gb energy = 0.6067944308388998 eV
minimum distance =  2.57349664708934 Angstroms
sigma value = 67


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

Energy: 0.8744249215139304
Energy: 0.7007447534970686
Energy: 0.6183558472099238
Energy: 0.6180738752495095
Energy: 0.7000501630560637
Energy: 0.6187887482324773
Energy: 0.7030729872588025
Energy: 0.6617964179684244
Energy: 0.6604274621303381
Energy: 0.6596160857352606
Energy: 0.6609938649063216
Energy: 0.6606536959211643
Energy: 0.7063320204586927
Energy: 0.6084271854274026
Energy: 0.6414436100610184
Energy: 0.6423309056006703
Energy: 0.6131276146711381
Energy: 0.6414225728091253
Energy: 0.7031991658414299
Energy: 0.6446378213967088
Energy: 0.6428528182140327
Energy: 0.6489758843981487
Energy: 0.6437831387824117
Energy: 0.642886564045979
Energy: 0.6982721275321901
Energy: 0.6611470562936426
Energy: 0.6656599045350452
Energy: 0.6995040867057917
Energy: 0.6610681374163888
Energy: 0.6661578144855707
Energy: 0.7006479455564433
Energy: 0.6390132496122273
Energy: 0.6639884091477917
Energy: 0.7015705352048952
Energy: 0.6365941237832071
Energy: 0.6639623010156875
Energy: 0.7766971249854467
Energy: 0.6632432180369678
Energy: 0.660615326470519
Energy: 0.6100628343849143
Energy: 0.6619853872015361
Energy: 0.6602284095924333

minimum gb energy = 0.6084271854274026 eV
minimum distance =  2.63036423107079 Angstroms
sigma value = 3


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

Energy: 1.154307614391908
Energy: 0.8967122044755814
Energy: 0.77055861966624
Energy: 0.7848668578749356
Energy: 0.89777657680838
Energy: 0.7696930146638362
Energy: 0.7413271029563683
Energy: 0.7543733645039125
Energy: 0.7417177650077634
Energy: 0.7614206420209324
Energy: 0.7527744629912685
Energy: 0.7439358360316879
Energy: 0.7426744799500756
Energy: 0.7444639009857833
Energy: 0.740983155058695
Energy: 0.7436625960556675
Energy: 0.7436731728222409
Energy: 0.7450108524934116
Energy: 0.752058729183034
Energy: 0.7454088627256145
Energy: 0.7441902876991371
Energy: 0.7515943984261029
Energy: 0.7425835084500501
Energy: 0.7447096139242675
Energy: 0.7490647320672708
Energy: 0.7633983047633143
Energy: 0.7439342175471061
Energy: 0.7505140089048058
Energy: 0.7628440508357976
Energy: 0.7433228536603059
Energy: 0.7425502775390525
Energy: 0.7640777813319471
Energy: 0.7645435810228631
Energy: 0.7421779244995742
Energy: 0.7629630504104694
Energy: 0.7645506696946816
Energy: 0.7418213511105908
Energy: 0.7634900191410713
Energy: 0.7896387306790096
Energy: 0.7632883048459641
Energy: 0.7764680711840859
Energy: 0.7486102607431611
Energy: 1.0784483368414326
Energy: 0.7549506237351165
Energy: 0.7775427930835576
Energy: 0.7504079057003876
Energy: 0.788075809978568
Energy: 0.7777079488020611
Energy: 0.7422349188133549
Energy: 0.7441180079429612
Energy: 0.7679572342722655
Energy: 0.7638959487810586
Energy: 0.7685497639496561
Energy: 0.7596713896533909
Energy: 0.7425579084396678
Energy: 0.7503623190622537
Energy: 0.749368115041264
Energy: 0.7431257440338787
Energy: 0.7504200035016855
Energy: 0.7406847834804385
Energy: 0.7790417311285043
Energy: 0.7403915850039344
Energy: 0.7408320138429194
Energy: 0.7526647541904521
Energy: 0.7692085160209191
Energy: 0.7665615624455406
Energy: 0.8245458342916342
Energy: 0.7655606197824751
Energy: 0.7694682352776545
Energy: 0.7857634026685179
Energy: 0.7536562677428748
Energy: 0.7635963766217364
Energy: 0.7826136286292812
Energy: 0.7665450758110401
Energy: 0.7431876359951244
Energy: 0.7784305956181677
Energy: 0.7593714444545884
Energy: 0.7434995693176188
Energy: 0.768674667514916
Energy: 0.7510676461004531
Energy: 0.744157224577475
Energy: 0.7526186601484148
Energy: 0.7475251335394861
Energy: 0.7448837798101979
Energy: 0.8228758033363118
Energy: 0.8222178127873686
Energy: 0.7486428710483847
Energy: 0.7647609166084438
Energy: 0.8189046135059072
Energy: 0.7672764290526066
Energy: 0.7682892818348374
Energy: 0.7439506702766181
Energy: 0.7438154484352518
Energy: 0.7852611672753033
Energy: 0.7630420015083736
Energy: 0.7481547124537145
Energy: 0.9079835296599765
Energy: 0.7482248047087481
Energy: 0.747069154017017
Energy: 0.9040104937529373
Energy: 0.7487234183986957
Energy: 0.7777017586212401
Energy: 0.7777497404471285
Energy: 0.7749034730750541
Energy: 0.7735571132485495
Energy: 0.7543364413763768
Energy: 0.7769923494468582
Energy: 0.7764721098496813
Energy: 0.8939721911237997
Energy: 0.7500598311676239
Energy: 0.7445364259385313
Energy: 0.7461196050591461
Energy: 0.7745453813954143
Energy: 0.7469448453731582
Energy: 0.8577221609378829
Energy: 0.7445060804482316
Energy: 0.7460462136662505
Energy: 0.7465231956649261
Energy: 0.7453415885848205
Energy: 0.748711159185602
Energy: 0.7746694894909579
Energy: 0.7750027647279053
Energy: 0.774189718913141
Energy: 0.7842633916223802
Energy: 0.7726158519967087
Energy: 0.777261075845586
Energy: 0.7649837826455643
Energy: 0.7964510855149499
Energy: 0.7938513796904094
Energy: 0.7747895091479544
Energy: 0.7835838572729559
Energy: 0.7876686684597329
Energy: 0.7633268601365427
Energy: 0.7846700834728509
Energy: 0.7681049492680811
Energy: 0.7651433742001391
Energy: 0.7764282721861734
Energy: 0.7762746206529868
Energy: 0.7713435963586999
Energy: 0.7476240036989695
Energy: 0.7954365541279682
Energy: 0.7461533640101117
Energy: 0.7503183232882191
Energy: 0.7467666228610464
Energy: 0.7562997373504797
Energy: 0.7456095632577778
Energy: 0.746066192404904
Energy: 0.7955781699794048
Energy: 0.79850173807036
Energy: 0.7472305649827338
Energy: 0.9535394874134775
Energy: 0.7870397944472655
Energy: 0.7780005386453563
Energy: 0.7413493060034204
Energy: 0.7795091504479563
Energy: 0.7402747281497092
Energy: 0.7510383932606002
Energy: 0.7836955950159196
Energy: 0.7774454070326431
Energy: 0.7427692331952106
Energy: 0.7877301619852871
Energy: 0.7395577997583341
Energy: 0.7587764538273105
Energy: 0.7466659273901655
Energy: 0.7478960597142159
Energy: 0.7940322683099412
Energy: 0.761845654509301
Energy: 0.7474915338017006
Energy: 0.7419921496925626
Energy: 0.7435301834840318
Energy: 0.7425577709474523
Energy: 0.7428029833933306
Energy: 0.7458025940973361
Energy: 0.7466165297070947
Energy: 0.7420879097821793
Energy: 0.7633747961896586
Energy: 0.7431855844515655
Energy: 0.7426671994875286
Energy: 0.7611405503522112
Energy: 0.7412088899593854
Energy: 0.7435415495191025
Energy: 0.7426944270369333
Energy: 0.7431927805815655
Energy: 0.7430749707911148
Energy: 0.7436534837850732
Energy: 0.7423609349866555
Energy: 0.7466577485582601
Energy: 0.7613493000245013
Energy: 0.7627081342928042
Energy: 0.7700109930971791
Energy: 0.7881259407660004
Energy: 0.7652079541884796
Energy: 0.9081443660586749
Energy: 0.7581956141309374
Energy: 0.7427213299063951
Energy: 0.7472696955253336
Energy: 0.804485957902793
Energy: 0.7453624297438453
Energy: 0.7727586852571161
Energy: 0.7646655856500074
Energy: 0.7684988759041175
Energy: 0.7460563411515022
Energy: 0.7856244254441483
Energy: 0.7633751225695448
Energy: 0.7550773434866885
Energy: 0.7425182640449278
Energy: 0.7418397869584301
Energy: 0.7678999073953442
Energy: 0.7401058918574535
Energy: 0.7679423723344699
Energy: 0.7624930045025238
Energy: 0.7499473383440978
Energy: 0.7496613884060396
Energy: 0.7670515480899556
Energy: 0.7500309325568776
Energy: 0.7408281590355459
Energy: 0.8053895687265872
Energy: 0.7724447600101889
Energy: 0.777046791529662
Energy: 0.7708635021899489
Energy: 0.7700035705415755
Energy: 0.762616256141537
Energy: 0.8755481039641229
Energy: 0.7975391547019859
Energy: 0.8028374058744846
Energy: 0.7825744438840995
Energy: 0.7461367354157304
Energy: 0.8118834695813191
Energy: 0.7708609036968516
Energy: 0.7489063293557296
Energy: 0.7413379234300285
Energy: 0.7757960763970293
Energy: 0.7457488108421362
Energy: 0.7427895508515233
Energy: 0.821121150752144
Energy: 0.7443880994817819
Energy: 0.7449005374041902
Energy: 0.7630705799459312
Energy: 0.7438416481898713
Energy: 0.7459953963935392
Energy: 0.7679204697804801
Energy: 0.750101269198259
Energy: 0.7483343824869214
Energy: 0.7449912127211988
Energy: 0.8053925275596628
Energy: 0.7436367449840696
Energy: 0.785853192110111
Energy: 0.759895071260796
Energy: 0.7609499207408981
Energy: 0.7444469399249826
Energy: 0.7423071702931248
Energy: 0.7787928182288252
Energy: 0.8613142832518043
Energy: 0.7477010732426885
Energy: 0.7470828660590177
Energy: 0.7988754380557075
Energy: 0.7478107302895597
Energy: 0.7829822136256069
Energy: 0.7871695111594981
Energy: 0.7450609455731222
Energy: 0.7461386156616511
Energy: 0.7460196503830143
Energy: 0.7645962150379282
Energy: 0.7473965629870082
Energy: 1.0045130693492588
Energy: 0.7451349898022291
Energy: 0.8055471576376936
Energy: 0.7685204229369617
Energy: 0.7446225674523526
Energy: 0.8063948393258084
Energy: 0.7638999042869827
Energy: 0.773856545017761
Energy: 0.778347383174903
Energy: 0.7727118229509347
Energy: 0.767178129050056
Energy: 0.7697524224746489
Energy: 0.7679436825486793
Energy: 0.7864901403316661
Energy: 0.7842892797847604
Energy: 0.7783127657585988
Energy: 0.7734887574015001
Energy: 0.7850491217149512
Energy: 0.7718946703014228
Energy: 0.7809282895957517
Energy: 0.7786280726724555
Energy: 0.7738742865097671
Energy: 0.7764485426061473
Energy: 0.7766611679697896
Energy: 0.7712449415014102
Energy: 0.7452875690712235
Energy: 0.7460529057384995
Energy: 0.7507287795686004
Energy: 0.7448682897391813
Energy: 0.7455071930014736
Energy: 0.7434490638919619
Energy: 0.7460872790229548
Energy: 0.7450462162442814
Energy: 0.7434337709108986
Energy: 0.7468980209944287
Energy: 0.7451093211813384
Energy: 0.7395690812648867
Energy: 0.7828065919911172
Energy: 0.7806787465347622
Energy: 0.7754040984733411
Energy: 0.7782676876429834
Energy: 0.7740733426745812

minimum gb energy = 0.7395577997583341 eV
minimum distance =  2.52470971735981 Angstroms
sigma value = 81


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

Energy: 1.254336404815954
Energy: 0.7879101477306016
Energy: 0.7513117393245389
Energy: 0.75240224930732
Energy: 0.7871825066714441
Energy: 0.7977939974939436
Energy: 0.790276014162455
Energy: 0.7462997299577967
Energy: 0.7276291467352852
Energy: 0.7291316915031048
Energy: 0.7462757462322607
Energy: 0.7277463096000673
Energy: 0.7910202221011546
Energy: 0.7629180878931768
Energy: 0.7653303959528888
Energy: 0.7513419656509198
Energy: 0.7647130971296183
Energy: 0.8406175098139319
Energy: 0.7898561338745884
Energy: 0.7631979014183762
Energy: 0.7290260553037468
Energy: 0.7960551157377913
Energy: 0.7604962673947456
Energy: 0.7488169005973448
Energy: 0.7977082789524466
Energy: 0.7962827628865967
Energy: 0.7906090666646381
Energy: 0.8050225506275981
Energy: 0.7911034280877286
Energy: 0.7279554348026879
Energy: 0.789483474742607
Energy: 0.7910637254691405
Energy: 0.7851235888921032
Energy: 0.7919741476913872
Energy: 0.784396154672004
Energy: 0.7857829421854162
Energy: 0.7887810430875566
Energy: 0.7556489784774545
Energy: 0.808744654949541
Energy: 0.8002355463786373
Energy: 0.7438299825106363
Energy: 0.806816586992735
Energy: 1.029183562803485
Energy: 0.8952295098466736
Energy: 0.8786593136331845
Energy: 0.7591179810823121
Energy: 0.761090392086577
Energy: 0.7633956592112796
Energy: 0.7905540003725379
Energy: 0.8040919629310935
Energy: 0.7683660548063599
Energy: 0.7791371544090531
Energy: 0.811219175572595
Energy: 0.7684805924840037
Energy: 0.8659300603360014
Energy: 0.7094414014199294
Energy: 0.7093152774762572
Energy: 0.8328597884216863
Energy: 0.7095484686619326
Energy: 0.7088927531197193
Energy: 0.8047812175649166
Energy: 0.707048343220864
Energy: 0.7074995988498243
Energy: 0.7718893920947081
Energy: 0.7327395742091505
Energy: 0.7675461830713095
Energy: 0.7607667967204967
Energy: 0.8336744296315535
Energy: 0.8341753828290398
Energy: 0.7612382047037669
Energy: 0.8236276521583314
Energy: 0.8367333917480763
Energy: 0.7627884594297509
Energy: 0.7846317801319737
Energy: 0.7910417996394935
Energy: 0.7642795384786383
Energy: 0.7930568180268467
Energy: 0.7635642524428976
Energy: 0.7963350705562818
Energy: 0.7926690689645016
Energy: 0.7901266826829649
Energy: 0.7831408415360341
Energy: 0.7960915067778621
Energy: 0.7906859021750218
Energy: 0.9131848622131092
Energy: 0.8440982134472651
Energy: 0.8165437385777056
Energy: 0.7836149760617892
Energy: 0.7883079849902285
Energy: 0.7837296776757922
Energy: 0.7941582706240051
Energy: 0.7869979269875329
Energy: 0.7882167161366713
Energy: 0.7962008442271126
Energy: 0.7863847171476248
Energy: 0.7889769611658236
Energy: 0.9127449755693515
Energy: 0.760684743836981
Energy: 0.7747955475661608
Energy: 0.8655556680302399
Energy: 0.7582560345169421
Energy: 0.7745340473080813
Energy: 0.7694041121458263
Energy: 0.768158059183041
Energy: 0.7731337491568527
Energy: 0.8118396181689371
Energy: 0.7944407955521336
Energy: 0.8400731205186207
Energy: 0.7081739582641396
Energy: 0.7809491187435522
Energy: 0.7077241607656198
Energy: 0.707641316132351
Energy: 0.783550829936929
Energy: 0.7077248165279757
Energy: 0.8313728416844725
Energy: 0.7806977115619155
Energy: 0.7081376597519603
Energy: 0.7088090623272058
Energy: 0.7808289510513785
Energy: 0.7081162903823706
Energy: 0.7687031732188503
Energy: 0.7677723169139864
Energy: 0.7674662323173743
Energy: 0.8117642566305775
Energy: 0.7860266548113959
Energy: 0.8438242871409054
Energy: 0.7933375441224904
Energy: 0.7647998625445106
Energy: 0.7700574426210979
Energy: 0.7946992106046421
Energy: 0.7649103783594663
Energy: 0.7671893476793183
Energy: 0.7914050506800785
Energy: 0.796599703367467
Energy: 0.8001522192325231
Energy: 0.792991942419776
Energy: 0.7880376009568915
Energy: 0.790736920856922
Energy: 0.7938550425076709
Energy: 0.785544636511275
Energy: 0.7889004680885663
Energy: 0.7895361470297593
Energy: 0.7974585801403449
Energy: 0.7868948252881514
Energy: 0.7955246123197101
Energy: 0.7882492381368778
Energy: 0.7894510510644858
Energy: 0.7842205182156252
Energy: 0.79135009247529
Energy: 0.7873020888128234
Energy: 0.8757621198479684
Energy: 0.7873176075534124
Energy: 0.7877266945728473
Energy: 0.7523962962680336
Energy: 0.8149211472867599
Energy: 0.8248039629711466
Energy: 0.7638094226573697
Energy: 0.8342835054733896
Energy: 0.8344165836668352
Energy: 0.7368121989426323
Energy: 0.822405750268234
Energy: 0.8387846181008235
Energy: 0.7954218620005713
Energy: 0.7092381656975016
Energy: 0.7751049528770095
Energy: 0.7704076999362351
Energy: 0.7346928528496847
Energy: 0.7673121210668952
Energy: 0.7906942727702351
Energy: 0.7101187397006855
Energy: 0.7094150524598433
Energy: 0.7870167889628006
Energy: 0.7102746088417394
Energy: 0.7591916310937669
Energy: 0.7893116134443249
Energy: 0.801642701063491
Energy: 0.7673799127599095
Energy: 0.778858847351117
Energy: 0.8092327940659061
Energy: 0.7676614889062254
Energy: 0.8289189392182675
Energy: 0.8392090414058446
Energy: 0.8408028406432695
Energy: 0.7640269013306371
Energy: 0.860129570820229
Energy: 0.7645914496449452
Energy: 0.7936270503341053
Energy: 0.7357192311399287
Energy: 0.7440647108339914
Energy: 0.8000436846506105
Energy: 0.7369610986192698
Energy: 0.8098426189552206
Energy: 0.9086804673391708
Energy: 0.792641245822532
Energy: 0.7917753141778685
Energy: 0.7878918797694651
Energy: 0.7855618528323235
Energy: 0.7870885950572517
Energy: 0.7916975953937335
Energy: 0.7289680481985686
Energy: 0.7921453348079783
Energy: 0.753527537441317
Energy: 0.7885147504476264
Energy: 0.7562693979624572
Energy: 0.7905361155237599
Energy: 0.7513911583835101
Energy: 0.7516560644954208
Energy: 0.7957630981712324
Energy: 0.7369173291028943
Energy: 0.7523365982556514
Energy: 0.9505325699814166
Energy: 0.7356625326603955
Energy: 0.7359881626925928
Energy: 0.7319306339017346
Energy: 0.7361895355161634
Energy: 0.8926501357614631
Energy: 0.7917832638514192
Energy: 0.7465428928540577
Energy: 0.7275858552124106
Energy: 0.7287672162518112
Energy: 0.7412698881328837
Energy: 0.7282482301763861
Energy: 0.8588623379402469
Energy: 0.774119579480288
Energy: 0.7519555787866826
Energy: 0.7104150352332818
Energy: 0.7735932336946233
Energy: 0.7998792171461993

minimum gb energy = 0.707048343220864 eV
minimum distance =  2.4973840616153 Angstroms
sigma value = 43


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

Energy: 1.2613816710060957
Energy: 0.8442437569209067
Energy: 0.8363141633855015
Energy: 0.7882580688010675
Energy: 0.8679091948408615
Energy: 0.7880564087946412
Energy: 0.7466545711472098
Energy: 0.7289441101921013
Energy: 0.7378951663780834
Energy: 0.7784744080976582
Energy: 0.7408353327671452
Energy: 0.7698078066921855
Energy: 0.7499377966253679
Energy: 0.7290203861038277
Energy: 0.729295782497964
Energy: 0.7677270717354693
Energy: 0.7284117538143391
Energy: 0.7478928788247341
Energy: 0.7482886270606495
Energy: 0.7279297819116872
Energy: 0.7469625544936792
Energy: 0.7486522335905713
Energy: 0.7456649860978231
Energy: 0.7475985674451613
Energy: 0.7460471130702355
Energy: 0.7797847878279198
Energy: 0.7791142131945095
Energy: 0.7462433577584325
Energy: 0.7640502188572511
Energy: 0.7748877249624057
Energy: 0.7469138089324606
Energy: 0.7606569173782339
Energy: 0.7796904440861981
Energy: 0.76851038629938
Energy: 0.7560606873565583
Energy: 0.7796618679778922
Energy: 0.7472827383141186
Energy: 0.7476832854770051
Energy: 0.7459826804995389
Energy: 0.7480242791730187
Energy: 0.7464767420828907
Energy: 0.7546524455467053
Energy: 0.8549822732600579
Energy: 0.749404298040609
Energy: 0.7492729284967561
Energy: 0.7263834514252995
Energy: 0.7505865011449201
Energy: 0.772733968734496
Energy: 0.740768702048843
Energy: 0.7477880712766394
Energy: 0.7486254194356391
Energy: 0.741099022312449
Energy: 0.7457492308662877
Energy: 0.7573076185913892
Energy: 0.7395824545047737
Energy: 0.7445369218522481
Energy: 0.7450211719236712
Energy: 0.7291141347872034
Energy: 0.7439074840101272
Energy: 0.7450527019197475
Energy: 0.7267998255772653
Energy: 0.7547048595595813
Energy: 0.7248325106911714
Energy: 0.7402548812613868
Energy: 0.7350101300666172
Energy: 0.7376497699020417
Energy: 0.747958485550928
Energy: 0.7481924897642613
Energy: 0.7481421347006194
Energy: 0.7355325511251937
Energy: 0.7476713618776383
Energy: 0.7479336414641886
Energy: 0.7524381667738478
Energy: 0.7486440091915643
Energy: 0.7627230932610004
Energy: 0.727025666511104
Energy: 0.7494500869750231
Energy: 0.7623828779895073
Energy: 0.7268320749186156
Energy: 0.7460884019506576
Energy: 0.7388258672216711
Energy: 0.7405041499815402
Energy: 0.7487832625817394
Energy: 0.7381528979859809
Energy: 0.7269582738624785
Energy: 0.7670825291862271
Energy: 0.7368089813219064
Energy: 0.7273274219197925
Energy: 0.7885526257208295
Energy: 0.7330325186527952
Energy: 0.7255606748754094
Energy: 0.7721266759234322
Energy: 0.7272809881137957
Energy: 0.727631184701971
Energy: 0.7457825817695379
Energy: 0.726764191380645
Energy: 0.7304196199157313
Energy: 0.7286804763176379
Energy: 0.7281898375243488
Energy: 0.7320320682799478
Energy: 0.7245794728557475
Energy: 0.7284870655282252
Energy: 0.7307334771211342
Energy: 0.72735463558605
Energy: 0.7273537448321765
Energy: 0.7669106499466098
Energy: 0.726647697059903
Energy: 0.7272167230403535
Energy: 0.7392439185966616
Energy: 0.7268448900569048
Energy: 0.7279555217585133
Energy: 0.7235713539620439
Energy: 0.7275402878150197
Energy: 0.7452174863464471
Energy: 0.7364817343995683
Energy: 0.7272146003189421
Energy: 0.7280430951993652
Energy: 0.7236990563848127
Energy: 0.7675382962759285
Energy: 0.745641492316114
Energy: 0.7305784296749446
Energy: 0.7272793606839358
Energy: 0.7255666927777346
Energy: 0.7447925174986778
Energy: 0.7510099485829721
Energy: 0.727178854999428
Energy: 0.8593832700143385
Energy: 0.7625213397043149
Energy: 0.7907566100064909
Energy: 0.856967062408013
Energy: 0.7276777507844631
Energy: 0.7921471273454309
Energy: 0.7675913804373271
Energy: 0.7273497865142204
Energy: 0.7260869606681121
Energy: 0.745262714841532
Energy: 0.7443529668027704
Energy: 0.7674038151402905
Energy: 0.7786687000273264
Energy: 0.7311356964275186
Energy: 0.72873958833868
Energy: 0.7228919544525821
Energy: 0.8469289973773733
Energy: 0.7283435830685078
Energy: 0.7875316599882972
Energy: 0.7277548051950008
Energy: 0.7264999172777952
Energy: 0.7603393134836528
Energy: 0.7279699938250771
Energy: 0.726717883476257
Energy: 0.7762467946660401
Energy: 0.726207181369916
Energy: 0.7265728125052372
Energy: 0.7379439387981958
Energy: 0.7269049509926677
Energy: 0.7380803573838876
Energy: 0.7773665959125733
Energy: 0.7300584805121914
Energy: 0.7254371628413738
Energy: 0.7411853405398083
Energy: 0.7378195104628716
Energy: 0.7253081809676662
Energy: 0.7848351440137814
Energy: 0.7381503629558243
Energy: 0.7726677926558548
Energy: 0.7460669338899529
Energy: 0.7405929195736899
Energy: 0.7466652885745045
Energy: 0.8224506256814899
Energy: 0.7454094178208198
Energy: 0.745949386240769
Energy: 0.8226597398410498
Energy: 0.7251050924108735
Energy: 0.7895137267569493
Energy: 0.748983675004066
Energy: 0.7290378731537838
Energy: 0.738521493816894
Energy: 0.7879022000178245
Energy: 0.7411232757573916
Energy: 0.7562645490587409
Energy: 0.7908184404626301
Energy: 0.7389418573589253
Energy: 0.7292469947822094
Energy: 0.7598959582417213
Energy: 0.8012961932893334
Energy: 0.7285996982112081

minimum gb energy = 0.7228919544525821 eV
minimum distance =  2.57245736097636 Angstroms
sigma value = 57


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

Energy: 0.9338721804331284
Energy: 0.8280805030224436
Energy: 0.7998471046956345
Energy: 0.7892614136336578
Energy: 0.7361504008430055
Energy: 0.8017462009490741
Energy: 0.7319670737325276
Energy: 0.7449011639819358
Energy: 0.7258327844969725
Energy: 0.7405937938496031
Energy: 0.7409201865101583
Energy: 0.7022256586318792
Energy: 0.8250503810895894
Energy: 0.6733174628107573
Energy: 0.670905294717612
Energy: 0.801144130266362
Energy: 0.6728768469677052
Energy: 0.6713586171694006
Energy: 0.7330537509435997
Energy: 0.67030815018211
Energy: 0.6708735838840695
Energy: 0.7319637907593909
Energy: 0.6726552185685183
Energy: 0.7388120614436067
Energy: 0.7313529267240934
Energy: 0.7041709960795435
Energy: 0.7047006778498205
Energy: 0.7324187777095092
Energy: 0.7032077105156835
Energy: 0.7049710801937186
Energy: 0.6719157958806017
Energy: 0.7029496884926557
Energy: 0.7056620642459562
Energy: 0.7030773802143744
Energy: 0.7029168345217587
Energy: 0.7026941558100106
Energy: 0.7407708025245644
Energy: 0.7325896601627959
Energy: 0.7352612114910753
Energy: 0.743714433370793
Energy: 0.7316515976008992
Energy: 0.7302825298716751
Energy: 0.8679820288035425
Energy: 0.7407601889954742
Energy: 0.744971992120392
Energy: 0.7015839096610047
Energy: 0.8002730065350251
Energy: 0.7359406204575268
Energy: 0.7397275894826261
Energy: 0.7347115999548507
Energy: 0.7382656661918727
Energy: 0.7406576582043963
Energy: 0.7412384364017421
Energy: 0.7033727759677876
Energy: 0.7419208510122114
Energy: 0.7303297233886945
Energy: 0.7295811246815022
Energy: 0.7451386082067261
Energy: 0.7356999135312211
Energy: 0.7287189901840799
Energy: 0.7867734451931456
Energy: 0.6993377579668238
Energy: 0.7281039645340351
Energy: 0.7448163888431101
Energy: 0.7401409689717535
Energy: 0.739291125758124
Energy: 0.6704972104593784
Energy: 0.7896113037482837
Energy: 0.7353907006282769
Energy: 0.6724538503278356
Energy: 0.7437572525748138
Energy: 0.7856189021320369
Energy: 0.6724534121387797
Energy: 0.7918969563360732
Energy: 0.7873592878340571
Energy: 0.6707737038267582
Energy: 0.7445111177416578
Energy: 0.7883365970980062
Energy: 0.789482355824246
Energy: 0.7409337809419126
Energy: 0.7026128406455459
Energy: 0.7406011544926501
Energy: 0.7405227805308418
Energy: 0.7271765759655399
Energy: 0.7325066252043998
Energy: 0.7877918581491347
Energy: 0.7954328313649849
Energy: 0.7324134208261509
Energy: 0.7885634811169681
Energy: 0.7919078675468006
Energy: 0.730892039019129
Energy: 0.7029765508766642
Energy: 0.7232006525068799
Energy: 0.7321289934526858
Energy: 0.704355752657418
Energy: 0.7305184098325419
Energy: 0.7303757469236903
Energy: 0.7293299067849579
Energy: 0.7044574513744346
Energy: 0.7035782377155722
Energy: 0.7025869550415411
Energy: 0.7022800970430145
Energy: 0.7309878527420219
Energy: 0.7042597539767294
Energy: 0.703116197993182
Energy: 0.7026258749322846
Energy: 0.7373773860095252
Energy: 0.7033611329207405
Energy: 0.7419597992616637
Energy: 0.7347208609187601
Energy: 0.7353287922951787
Energy: 0.702701744876556
Energy: 0.7337546386216885
Energy: 0.7383963383869332
Energy: 0.741211177109708
Energy: 0.7350794135670166
Energy: 0.7357429500467353
Energy: 0.7026397666686177
Energy: 0.7352772666104693
Energy: 0.7379916685295579
Energy: 0.7418805106158395
Energy: 0.7244496990245809
Energy: 0.703453852926457
Energy: 0.742638229934704
Energy: 0.7414056220170572
Energy: 0.7261137801163933
Energy: 0.8193680044593044
Energy: 0.730732904270859
Energy: 0.7921980839902791
Energy: 0.7629821557890072
Energy: 0.7318160107133495
Energy: 0.7943696120022117
Energy: 0.7895965182218918
Energy: 0.7413020125363106
Energy: 0.7035811909877706
Energy: 0.740139671295333
Energy: 0.7406104673491501
Energy: 0.7030153855699071
Energy: 0.6719335038536783
Energy: 0.740127184496115
Energy: 0.7876844774986657
Energy: 0.6707828798238978
Energy: 0.749249851050426
Energy: 0.788729756917826

minimum gb energy = 0.67030815018211 eV
minimum distance =  2.51815296037938 Angstroms
sigma value = 17


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

Energy: 1.1147972566937447
Energy: 0.7271425283099094
Energy: 0.8441013009375763
Energy: 0.8417780733867437
Energy: 0.7280352772743407
Energy: 0.7201860779016002
Energy: 0.7138155697505912
Energy: 0.7732352234627694
Energy: 0.7175958392914373
Energy: 0.6678444863561271
Energy: 0.7755445456902236
Energy: 0.7161640692416898
Energy: 0.8071662601952462
Energy: 0.6823068284969961
Energy: 0.682444436989118
Energy: 0.7702392469554377
Energy: 0.6820530806870673
Energy: 0.6823715720767485
Energy: 0.7727447748251527
Energy: 0.6817125811931374
Energy: 0.6818849155229473
Energy: 0.7723567103026289
Energy: 0.6285746044530879
Energy: 0.7451501547668866
Energy: 0.6665953567843976
Energy: 0.6570870542757273
Energy: 0.6557888813853092
Energy: 0.6675395780327159
Energy: 0.6579437934689758
Energy: 0.6883289697745082
Energy: 0.6826126705875978
Energy: 0.6567699160272137
Energy: 0.6558582491533163
Energy: 0.6266394991957455
Energy: 0.6560969437272971
Energy: 0.6267427321184487
Energy: 0.6564392525588127
Energy: 0.6551091242391526
Energy: 0.6566496135757696
Energy: 0.6565746089229606
Energy: 0.6601852990069049
Energy: 0.6899989295219653
Energy: 0.6564091541010185
Energy: 0.6808883190826073
Energy: 0.7374046839037289
Energy: 0.7006433784988704
Energy: 0.726386035375912
Energy: 0.7357239434671206
Energy: 0.6583133444908323
Energy: 0.6893460376263264
Energy: 0.6876909514453102
Energy: 0.6602337878065381
Energy: 0.6838399103654649
Energy: 0.6561540994051878
Energy: 0.656077889784953
Energy: 0.6558146480123364
Energy: 0.6879651483572407
Energy: 0.6564346444362874
Energy: 0.6572677907062734
Energy: 0.6887074364006849
Energy: 0.6571002281018723
Energy: 0.6567631257917695
Energy: 0.6884581625605691
Energy: 0.7164445324637448
Energy: 0.6686191699595022
Energy: 0.6574678057737342
Energy: 0.6663725758881869
Energy: 0.7795040528749654
Energy: 0.7370193155503416
Energy: 0.6805052142563343
Energy: 0.7778640753972275
Energy: 0.7454419995221393
Energy: 0.6650617373066565
Energy: 0.7757355667121204
Energy: 0.7737597225953752
Energy: 0.666809195808405
Energy: 0.7764204435765746
Energy: 0.7751600061968653
Energy: 0.6572385991250623
Energy: 0.7793671306183558
Energy: 0.7166295328861017
Energy: 0.6562747538226039
Energy: 0.7817249997475507
Energy: 0.7155524185391549
Energy: 0.7498365467251543
Energy: 0.7730583602351143
Energy: 0.7794135684755205
Energy: 0.7623042677556487
Energy: 0.7722976614981323
Energy: 0.779193983155665
Energy: 0.742810900043856
Energy: 0.6889325969244716
Energy: 0.7465668792729167
Energy: 0.8556797549547449
Energy: 0.6581239655291715
Energy: 0.7140134577504977
Energy: 0.6258931021121555
Energy: 0.761345003344454
Energy: 0.8674683266129014
Energy: 0.6850991984806787
Energy: 0.7838646742849082
Energy: 0.726031849597472

minimum gb energy = 0.6258931021121555 eV
minimum distance =  2.53265464672825 Angstroms
sigma value = 17


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

Energy: 1.1950381347010923
Energy: 1.083596133922577
Energy: 0.7415449147711366
Energy: 0.7386238175542602
Energy: 1.0757037340876794
Energy: 0.77925344090134
Energy: 0.7091449438235777
Energy: 0.6649181280401569
Energy: 0.6631457882918368
Energy: 0.6748393101402885
Energy: 0.6750320889146277
Energy: 0.7291349514314871
Energy: 0.9179286454813214
Energy: 0.6172138101813124
Energy: 0.7036798694867772
Energy: 0.7768068412665806
Energy: 0.6521874498611617
Energy: 0.703891357223964
Energy: 0.6742528658190435
Energy: 0.7038041394901067
Energy: 0.7028523619683447
Energy: 0.6694385852063918
Energy: 0.6239167018292069
Energy: 0.70332654336687
Energy: 0.6731797987972238
Energy: 0.6648538971165171
Energy: 0.6635841992671544
Energy: 0.6736573524486815
Energy: 0.6631745031839755
Energy: 0.6858123550616163
Energy: 0.5906466113435273
Energy: 0.6624577315510631
Energy: 0.6176652580315065
Energy: 0.6215066035812522
Energy: 0.661537088174841
Energy: 0.6241487016185909
Energy: 0.6057208041743238
Energy: 0.6708127330654472
Energy: 0.661571592819458
Energy: 0.6305506333733187
Energy: 0.6650844516358763
Energy: 0.6447664737240416
Energy: 0.6060181296434142
Energy: 0.687874214110695
Energy: 0.606457971685465
Energy: 0.6060288905136587
Energy: 0.5910985029274793
Energy: 0.6067573339140789
Energy: 0.6068559757560611
Energy: 0.6498577890883052
Energy: 0.6061735787185685
Energy: 0.6084521052882744
Energy: 0.6474790399784567
Energy: 0.6045972218369429
Energy: 0.6048869210412238
Energy: 0.6888971204026856
Energy: 0.686665084436266
Energy: 0.6049191338164391
Energy: 0.6655323283538375
Energy: 0.6856156387037831
Energy: 0.6225454192881019
Energy: 0.6241753229152445
Energy: 0.6810956883945337
Energy: 0.6663372905508651
Energy: 0.604711688747635
Energy: 0.6841285657475062
Energy: 0.6085598873819672
Energy: 0.604862939439874
Energy: 0.6047427975040301
Energy: 0.6206340847682859
Energy: 0.6122760384009973
Energy: 0.6061363922258888
Energy: 0.6218017467172242
Energy: 0.6063532744547275
Energy: 0.6067637324873744
Energy: 0.6305492622924286
Energy: 0.6064636060755257
Energy: 0.6053111950058434
Energy: 0.6618543929253111
Energy: 0.6576446038539321
Energy: 0.6548047478941679
Energy: 0.6621535357595127
Energy: 0.6301462682848463
Energy: 0.6611741667187641
Energy: 0.6617573359589538
Energy: 0.6079022860829214
Energy: 0.6078856981773908
Energy: 0.6616657606233285
Energy: 0.6801835594918554
Energy: 0.6895801902619046
Energy: 0.7693212828040701
Energy: 0.6711380103516584
Energy: 0.6854689769600419
Energy: 0.7149608217303908
Energy: 0.6741335206433858
Energy: 0.6853099956017997
Energy: 0.6061077467766479
Energy: 0.7885980176196428
Energy: 0.6696505079210576
Energy: 0.6082959481913207
Energy: 0.7840992672472665
Energy: 0.6600018693422075
Energy: 0.6072783093052159
Energy: 0.784796288266453
Energy: 0.7849999153090377
Energy: 0.6767715317221498
Energy: 0.7844257296946212
Energy: 0.6624817088756628
Energy: 0.7686539952104539
Energy: 0.7620051190700092
Energy: 0.7308596221407933
Energy: 0.6976332312309418
Energy: 0.6885936074629588
Energy: 0.6628397409665161
Energy: 0.9116299596779897
Energy: 0.6646938642559628
Energy: 0.662010844585479
Energy: 0.7854840613389803
Energy: 0.6666539894203362
Energy: 0.7578558970924757
Energy: 0.7869453557947987
Energy: 0.7593303038551642
Energy: 0.7304300164253023
Energy: 0.7555621903724131
Energy: 0.7591352385489146
Energy: 0.6650764383374362
Energy: 0.617674632451577
Energy: 0.7830449289776361
Energy: 0.8406267147725338
Energy: 0.6702350251518828
Energy: 0.7763620149357648
Energy: 0.7033949317217634
Energy: 0.6217224983252043
Energy: 0.6719745766689367
Energy: 0.6686201000843788
Energy: 0.6236261632730774
Energy: 0.7928289862552119
Energy: 0.7434397691277209
Energy: 0.9112554468302012
Energy: 0.7110848593827146
Energy: 0.7331639150860678
Energy: 0.7864598664448476
Energy: 0.6173487746397255
Energy: 0.7629732549733813
Energy: 0.7841925866047736
Energy: 0.6258353086931437
Energy: 0.704184595698998
Energy: 0.7853654532519124
Energy: 0.6249889757167398
Energy: 0.7043866938298274
Energy: 0.6757485675680588
Energy: 0.6656228451389473
Energy: 0.6641696641882168
Energy: 0.6756880293097144
Energy: 0.6649775100031283
Energy: 0.6865491936881568
Energy: 0.5919766860125559
Energy: 0.6639488446727356
Energy: 0.6634969739551939
Energy: 0.6196136798835259
Energy: 0.6624933387127834
Energy: 0.6191618245845655
Energy: 0.5982108437388186
Energy: 0.670254241165514
Energy: 0.6607499874816264
Energy: 0.591331187428736
Energy: 0.664910046166264
Energy: 0.6603340522580243
Energy: 0.8306008331022695
Energy: 0.6787776159506724
Energy: 0.6953915501547869
Energy: 0.6132981611404121
Energy: 0.6621581015525698
Energy: 0.696911083518156
Energy: 0.6044920027623204
Energy: 0.687738900376786
Energy: 0.645001273955612
Energy: 0.6045653847403865
Energy: 0.680031839136892
Energy: 0.6072417832772673
Energy: 0.6120908696996399
Energy: 0.6777824765102267
Energy: 0.6767925822649768
Energy: 0.6135347351088051
Energy: 0.6757551678352514
Energy: 0.6482305399832281
Energy: 0.6059279973441094
Energy: 0.6764304087726128
Energy: 0.6836296989162332
Energy: 0.6055608757581693
Energy: 0.6746341673913608
Energy: 0.6831459255372752
Energy: 0.617815103741344
Energy: 0.61273630920563
Energy: 0.6048044335910793
Energy: 0.6191996755005226
Energy: 0.606990114126881
Energy: 0.6045693453584955
Energy: 0.6209318749264052
Energy: 0.6525395249205345
Energy: 0.6571657932239958
Energy: 0.6669898714290077
Energy: 0.6262473545571218
Energy: 0.6562335757526532
Energy: 0.6699334016324229
Energy: 0.6536272291226153
Energy: 0.6565238246135728
Energy: 0.671560083148931
Energy: 0.6516482853775348
Energy: 0.6763606161909804
Energy: 0.6611067337499594
Energy: 0.6496675758611431
Energy: 0.6625506771839078
Energy: 0.6611687256021092
Energy: 0.6702782027988585
Energy: 0.6615676989435678
Energy: 0.845716730536136
Energy: 0.6857292064313325
Energy: 0.6853905692503339
Energy: 0.6683533118543977
Energy: 0.6753733868561627
Energy: 0.6633275043920343
Energy: 0.613651161645986
Energy: 0.6640327690517916
Energy: 0.6632683315698754
Energy: 0.6738865293068638
Energy: 0.6630105978542659
Energy: 0.6859995989549695
Energy: 0.6047485908893783
Energy: 0.775813456070656
Energy: 0.66329353856768
Energy: 0.6660123828057604
Energy: 0.7950006241488377
Energy: 0.6637535352569526
Energy: 0.6613347292999167
Energy: 0.7611141460608756
Energy: 0.7541825441451988
Energy: 0.6740174376713708
Energy: 0.7876722465411018
Energy: 0.7281265308841102
Energy: 0.8780486022128493
Energy: 0.6636213533087955
Energy: 0.7619360019728513
Energy: 0.794618327971776
Energy: 0.6624097091652823
Energy: 0.7618521609835127
Energy: 0.9111117428727549
Energy: 0.7303076184881246
Energy: 0.6711540604604902
Energy: 0.7922442525743144
Energy: 0.6732359558884691
Energy: 0.7556178306594707
Energy: 0.6234366952088476
Energy: 0.7930037851110319
Energy: 0.7878224189177868
Energy: 0.6248730162516286
Energy: 0.792798381883838
Energy: 0.7141800555287402

minimum gb energy = 0.5906466113435273 eV
minimum distance =  2.55280606046034 Angstroms
sigma value = 57


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

Energy: 1.0748219166917914
Energy: 1.0041374696572234
Energy: 0.7461943103264352
Energy: 0.6512830839956861
Energy: 1.002143566178005
Energy: 0.7456125972588042
Energy: 0.7079470702500065
Energy: 0.7133315411634096
Energy: 0.6737021885226672
Energy: 0.7522377585704231
Energy: 0.6720582455843374
Energy: 0.7241887297727352
Energy: 0.8790253884998658
Energy: 0.6459201717939982
Energy: 0.6351996327974676
Energy: 0.7639858702437309
Energy: 0.6446439293989773
Energy: 0.7065544420883366
Energy: 0.7549887066751332
Energy: 0.6345712714280548
Energy: 0.7060472279834819
Energy: 0.6690200474225333
Energy: 0.6442558357490756
Energy: 0.7059438822646278
Energy: 0.6543518457853263
Energy: 0.6719378315631832
Energy: 0.6702466820143855
Energy: 0.6543076852621401
Energy: 0.6669829761982047
Energy: 0.6783650871765229
Energy: 0.6128976672101877
Energy: 0.6642328866927985
Energy: 0.6216365255553161
Energy: 0.6178805868767716
Energy: 0.6635564446216552
Energy: 0.6367053165317859
Energy: 0.5990016054682517
Energy: 0.6724298632898047
Energy: 0.6786957011661837
Energy: 0.652817077807036
Energy: 0.6677294364704494
Energy: 0.6508237705155353
Energy: 0.7072685374110357
Energy: 0.645985630141228
Energy: 0.64649798408726
Energy: 0.6046075384093561
Energy: 0.6471574994769361
Energy: 0.6026750320577084
Energy: 0.60351983265282
Energy: 0.601179957121022
Energy: 0.5979333527400397
Energy: 0.6042127508438109
Energy: 0.6059871375642587
Energy: 0.5979382956557044
Energy: 0.599234427150525
Energy: 0.6527425266515714
Energy: 0.6528688337772949
Energy: 0.5984383500471211
Energy: 0.5710074900463256
Energy: 0.654378694920732
Energy: 0.5767002064778547
Energy: 0.5683179767031195
Energy: 0.5696597426534202
Energy: 0.6553487388116827
Energy: 0.5676762341216062
Energy: 0.6504744043584331
Energy: 0.6039074642099296
Energy: 0.5797744787234718
Energy: 0.5679836129618486
Energy: 0.6296242386586697
Energy: 0.5744262333061193
Energy: 0.6109243611599907
Energy: 0.569826105121685
Energy: 0.6421820724925399
Energy: 0.6420107504086452
Energy: 0.6410836225335457
Energy: 0.6228261279301792
Energy: 0.6416179838924868
Energy: 0.570464846452487
Energy: 0.6379212486540929
Energy: 0.569586728853336
Energy: 0.5726721745109533
Energy: 0.5714135274507137
Energy: 0.5686129890151609
Energy: 0.5690321191571306
Energy: 0.645526215905139
Energy: 0.6429003646961211
Energy: 0.5694945616488615
Energy: 0.6498953930884429
Energy: 0.6576163257948284
Energy: 0.6149635844242146
Energy: 0.5982958628138376
Energy: 0.6576130549466632
Energy: 0.5851898486460476
Energy: 0.6120255550487818
Energy: 0.6538236645825847
Energy: 0.5715380905797041
Energy: 0.6130008512750814
Energy: 0.5977982847413178
Energy: 0.6511527374035158
Energy: 0.6084159633280215
Energy: 0.6005622007442362
Energy: 0.5727568364188089
Energy: 0.6026363091334304
Energy: 0.6402474425043854
Energy: 0.614508071039951
Energy: 0.6070066807478459
Energy: 0.6692542852989238
Energy: 0.6645375624374629
Energy: 0.6445704722874072
Energy: 0.6438321765706341
Energy: 0.6663186342326852
Energy: 0.6126685790250718
Energy: 0.6633859719961875
Energy: 0.6653817075292879
Energy: 0.6011085867966567
Energy: 0.6013966735201853
Energy: 0.6627584785631769
Energy: 0.6343027935863051
Energy: 0.6709745118730539
Energy: 0.826342231913029
Energy: 0.6750668539711042
Energy: 0.6774626282027677
Energy: 0.6666920305699184
Energy: 0.6967503610148033
Energy: 0.6821966813121516
Energy: 0.5692238207813729
Energy: 0.7641456221146278
Energy: 0.6637900293441032
Energy: 0.6467803473274071
Energy: 0.7701230536842941
Energy: 0.6640637718724363
Energy: 0.605263474599922
Energy: 0.7858498856087774
Energy: 0.7498218803346162
Energy: 0.6076791399095028
Energy: 0.7820606185387874
Energy: 0.7492072384605546
Energy: 0.8216739626709685
Energy: 0.7080777831574293
Energy: 0.6779576758557806
Energy: 0.6738653931238627
Energy: 0.6185919879142399
Energy: 0.6744954239507908
Energy: 0.8887416212834337
Energy: 0.6695405823354462
Energy: 0.6681492465531884
Energy: 0.7504721973666434
Energy: 0.6717527375976349
Energy: 0.7487728012394278
Energy: 0.8153909784176033
Energy: 0.7582630822050666
Energy: 0.7609724093987136
Energy: 0.7497286365476832
Energy: 0.751653446179947
Energy: 0.7280194766315876
Energy: 0.5756438021420099
Energy: 0.7692099605986636
Energy: 0.7093992455810754
Energy: 0.6476804487056343
Energy: 0.7785661040522455
Energy: 0.7082094596459684

minimum gb energy = 0.5676762341216062 eV
minimum distance =  2.53679149699906 Angstroms
sigma value = 43


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

Energy: 1.0049107802037711
Energy: 0.7189455608987092
Energy: 0.6933862838405193
Energy: 0.6160992536401025
Energy: 0.7188923149683827
Energy: 0.659060013580759
Energy: 0.7487234809210859
Energy: 0.6244333968989529
Energy: 0.6299731080763681
Energy: 0.6316693738601837
Energy: 0.6239427703351718
Energy: 0.6380074290008036
Energy: 0.7685198786291451
Energy: 0.5856439316723956
Energy: 0.604086604258386
Energy: 0.6820895510855425
Energy: 0.5841866995762466
Energy: 0.5856840626327796
Energy: 0.6901090140634606
Energy: 0.6044476786792762
Energy: 0.6023758975215764
Energy: 0.6237255775491649
Energy: 0.5698988647526999
Energy: 0.6552050297318245
Energy: 0.5392898353761366
Energy: 0.6216835164322487
Energy: 0.6249967410270084
Energy: 0.5396967731044894
Energy: 0.6241339787793356
Energy: 0.6396179972342617
Energy: 0.4923310741354314
Energy: 0.6209618003714898
Energy: 0.6032949192012458
Energy: 0.5625267409744523
Energy: 0.62043836487749
Energy: 0.5843225690172832
Energy: 0.7079031641656091
Energy: 0.6209137764049036
Energy: 0.6222760271145692
Energy: 0.573283820128682
Energy: 0.6258730696112269
Energy: 0.5907683095862928
Energy: 0.7046173821338574
Energy: 0.5620757881461904
Energy: 0.5852546656176723
Energy: 0.5632952601657241
Energy: 0.562044897762858
Energy: 0.5848114426740979
Energy: 0.5645321273333022
Energy: 0.5656133990938043
Energy: 0.562252496453556
Energy: 0.5664266330884102
Energy: 0.5172924811996625
Energy: 0.5625103673275553
Energy: 0.5378101404128118
Energy: 0.5820366583832842
Energy: 0.5818736998168118
Energy: 0.5478431067043018
Energy: 0.5352705744823815
Energy: 0.5777234054508171
Energy: 0.4866837529964747
Energy: 0.5245769645711496
Energy: 0.5243738578296848
Energy: 0.5501010847201215
Energy: 0.5242129486030359
Energy: 0.5619708842280874
Energy: 0.5659030798254944
Energy: 0.5242336719932986
Energy: 0.5247191345556574
Energy: 0.5457783844902875
Energy: 0.5243426473837285
Energy: 0.5637850423265793
Energy: 0.5026571713735196
Energy: 0.5517630386338117
Energy: 0.5599314856110519
Energy: 0.5620147773268471
Energy: 0.550512501637868
Energy: 0.5633509779807883
Energy: 0.5010655141014666
Energy: 0.5023525159311207
Energy: 0.5014987722683468
Energy: 0.5028739810927455
Energy: 0.4910108359257019
Energy: 0.5009468137463895
Energy: 0.5013920123337235
Energy: 0.5496417730745912
Energy: 0.5540204351217505
Energy: 0.5009064129269467
Energy: 0.4991823391369995
Energy: 0.5525377098915021
Energy: 0.4914084828256825
Energy: 0.49037948754101274
Energy: 0.49877145852111293
Energy: 0.5518968887913496
Energy: 0.4900399120997655
Energy: 0.5510546363514577
Energy: 0.5041531354860419
Energy: 0.4899283794338775
Energy: 0.49069443716765265
Energy: 0.5501014219851728
Energy: 0.4898018422930384
Energy: 0.549488777682178
Energy: 0.49043524987608594
Energy: 0.5601634984717289
Energy: 0.5496541892548672
Energy: 0.49023223545046235
Energy: 0.5387552164517366
Energy: 0.5497390509607485
Energy: 0.4903981921186995
Energy: 0.5290744007055828
Energy: 0.4903676562887084
Energy: 0.4913390884512456
Energy: 0.5416062523591384
Energy: 0.48969242074696256
Energy: 0.48991710920226045
Energy: 0.5508737751499903
Energy: 0.5539187018448983
Energy: 0.4903337516602201
Energy: 0.5507753240333526
Energy: 0.5562682524895163
Energy: 0.5271731511712872
Energy: 0.5009687098420473
Energy: 0.5014701039918882
Energy: 0.5558474570519646
Energy: 0.5008666803406439
Energy: 0.5542868254205979
Energy: 0.49397707291825693
Energy: 0.5013641411923871
Energy: 0.5018523589271427
Energy: 0.5594507427678048
Energy: 0.501201323158967
Energy: 0.5568248099283858
Energy: 0.5631391920727501
Energy: 0.5362835272059179
Energy: 0.5562871008457191
Energy: 0.5241499089854451
Energy: 0.5029170751617402
Energy: 0.555864272881837
Energy: 0.524065431052394
Energy: 0.5632989293541408
Energy: 0.5243410807848727
Energy: 0.5259128867142691
Energy: 0.5106599487047093
Energy: 0.524309255720831
Energy: 0.681405687136233
Energy: 0.557440563362561
Energy: 0.5750510135017152
Energy: 0.5540852846390656
Energy: 0.5569892044761899
Energy: 0.5769715200075055
Energy: 0.6403721572457746
Energy: 0.5625361726342173
Energy: 0.5625907313806807
Energy: 0.5338028598313864
Energy: 0.5628721081904996
Energy: 0.5742036405687568
Energy: 0.4896367044889014
Energy: 0.5622736667781154
Energy: 0.5707744776296058
Energy: 0.5562864730689886
Energy: 0.5620925931188749
Energy: 0.5733936356711419
Energy: 0.5279438163653377
Energy: 0.5893430217156056
Energy: 0.5888541731832777
Energy: 0.5276855347299243
Energy: 0.564817386298378
Energy: 0.6006639518623457
Energy: 0.6229931717683229
Energy: 0.5684041170609678
Energy: 0.6211790493094702
Energy: 0.6247102816458867
Energy: 0.5244767042945857
Energy: 0.6207211557369819
Energy: 0.7401979436653295
Energy: 0.5741407658463705
Energy: 0.6022478717219497
Energy: 0.6216737015330457
Energy: 0.5734427117814883
Energy: 0.5871835574218868
Energy: 0.7323727045075866
Energy: 0.6240992156228454
Energy: 0.6372381772011125
Energy: 0.6248918446378589
Energy: 0.6241602204433804
Energy: 0.6320205869933688
Energy: 0.501164683614318
Energy: 0.6829708520468453
Energy: 0.6201238323804501
Energy: 0.5746283537523692
Energy: 0.6827696958139252
Energy: 0.6025191263688943
Energy: 0.5625986300013389
Energy: 0.6730134975858625
Energy: 0.672989577905261
Energy: 0.5829195368132956
Energy: 0.6781380991494549
Energy: 0.6396549235614267
Energy: 0.738198814004551
Energy: 0.6262054699120736
Energy: 0.6209271865287764
Energy: 0.6239500842275962
Energy: 0.5403916726330693
Energy: 0.6847259070296239
Energy: 0.7677916197882604
Energy: 0.5898102061676113
Energy: 0.6389168109036795
Energy: 0.6994633865579468
Energy: 0.5895667455899125
Energy: 0.6213472698954993
Energy: 0.7487234809165785
Energy: 0.6730153365735807
Energy: 0.6738381009657687
Energy: 0.6233718990332696
Energy: 0.6776745187481775
Energy: 0.6395941632397042

minimum gb energy = 0.4866837529964747 eV
minimum distance =  2.5745679803625 Angstroms
sigma value = 81


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

Energy: 0.062199806717009025
Energy: 0.06584085442541547
Energy: 0.06278426708358995
Energy: 0.06567142759779572
Energy: 0.06594700505141002
Energy: 0.06302139317301711
Energy: 0.1088249072703698
Energy: 0.06502762867657956
Energy: 0.06547843582345816
Energy: 0.10894846513823987
Energy: 0.07038384527995602
Energy: 0.06541633039470855
Energy: 0.10748749590390692
Energy: 0.06343022770068513
Energy: 0.06323737327874658
Energy: 0.10755958651704998
Energy: 0.06322377805705028
Energy: 0.10690857402706068
Energy: 0.06803791145885425
Energy: 0.06308038887997673
Energy: 0.06331837257548248
Energy: 0.06843481477667797
Energy: 0.06321199295704723
Energy: 0.10693840128957524
Energy: 0.10652709876269895
Energy: 0.10727322694721321
Energy: 0.1071745391066805
Energy: 0.10741665209471286
Energy: 0.10736641791621242
Energy: 0.10777568288349751
Energy: 0.06377741105388342
Energy: 0.06523182394115694
Energy: 0.0629594185691062
Energy: 0.06590307205706533
Energy: 0.06587010582465765
Energy: 0.0631655911907053
Energy: 0.10722202908928309
Energy: 0.06494129054435342
Energy: 0.06503363753090861
Energy: 0.10697336009307556
Energy: 0.0652066298824687
Energy: 0.06570548616659087
Energy: 0.10745216001231196
Energy: 0.06315621053446012
Energy: 0.0630141430445342
Energy: 0.10727879418521037
Energy: 0.06282272475857326
Energy: 0.1072794277598215
Energy: 0.06765335595471246
Energy: 0.06256277490255537
Energy: 0.10693418694985313
Energy: 0.06760666041705374
Energy: 0.06320811211587965
Energy: 0.1083312072285248
Energy: 0.06371096577877075
Energy: 0.10778059672553969
Energy: 0.10783004281030263
Energy: 0.06472830499467128
Energy: 0.10726738645685752
Energy: 0.10800118197062378

minimum gb energy = 0.062199806717009025 eV
minimum distance =  2.74744621479442 Angstroms
sigma value = 3


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

Energy: 0.6317187583503927
Energy: 0.6433991116276699
Energy: 0.6553543672050187
Energy: 0.5324299275055268
Energy: 0.6098679795861212
Energy: 0.5666983635903944
Energy: 0.6888925835496619
Energy: 0.5606531492337589
Energy: 0.5600833566329246
Energy: 0.6214465388011376
Energy: 0.632727857873309
Energy: 0.6022444914922388
Energy: 0.6747838531440085
Energy: 0.5484417175950799
Energy: 0.5858949247114056
Energy: 0.6332279997779777
Energy: 0.5963481501584763
Energy: 0.6186822986216824
Energy: 0.6104551254871553
Energy: 0.5623974140630776
Energy: 0.5854122308707047
Energy: 0.6055518535443398
Energy: 0.5477026366740579
Energy: 0.6000323846044479
Energy: 0.5533541476969502
Energy: 0.5950691203891818
Energy: 0.5593234504905569
Energy: 0.5536251898203615
Energy: 0.6388817837339357
Energy: 0.5949085736900749
Energy: 0.5105855131047525
Energy: 0.5902929898569543
Energy: 0.5963701045029287
Energy: 0.5139712031725368
Energy: 0.5870838560655419
Energy: 0.5500687335038028
Energy: 0.6084715778467265
Energy: 0.5644209207240595
Energy: 0.5632102690348165
Energy: 0.6269977365558204
Energy: 0.5643025327658521
Energy: 0.636977671645901
Energy: 0.6049192200757869
Energy: 0.5139918240793522
Energy: 0.5157913585328965
Energy: 0.6048892764839386
Energy: 0.48589040366430375
Energy: 0.5558579905942671
Energy: 0.521127372490567
Energy: 0.5557578919814657
Energy: 0.5624569133688111
Energy: 0.519134895521778
Energy: 0.5141999066578098
Energy: 0.5630988847589877
Energy: 0.5183844206949199
Energy: 0.5608054165678048
Energy: 0.560374027989572
Energy: 0.5183312936619244
Energy: 0.5640861221875845
Energy: 0.5635151808517526
Energy: 0.48709614936650275
Energy: 0.5637782788531513
Energy: 0.5639234871447616
Energy: 0.4888253992525
Energy: 0.4907296119126833
Energy: 0.5362473652123403
Energy: 0.5229056382390792
Energy: 0.5618253958402866
Energy: 0.562206285540349
Energy: 0.5172663090896261
Energy: 0.5197281785656337
Energy: 0.5185086850816417
Energy: 0.5191790945656998
Energy: 0.4711551650704096
Energy: 0.49004297648812506
Energy: 0.5196901656465248
Energy: 0.47341826716013097
Energy: 0.5201441784610468
Energy: 0.47956090955844605
Energy: 0.4903734460412159
Energy: 0.5197299980984189
Energy: 0.5215106082512212
Energy: 0.4897085448296136
Energy: 0.5208291801236444
Energy: 0.4755373279868559
Energy: 0.48816062316865316
Energy: 0.4882716965453692
Energy: 0.47770599450715445
Energy: 0.49352139310783
Energy: 0.48948361661144735
Energy: 0.47775466924607196
Energy: 0.49106422717632275
Energy: 0.48994917287025846
Energy: 0.47761989350839684
Energy: 0.47549564665271926
Energy: 0.47598976447199154
Energy: 0.4799493745953058
Energy: 0.49050900306447887
Energy: 0.4752184951066334
Energy: 0.47383209334329895
Energy: 0.4903128337341516
Energy: 0.4745882240910167
Energy: 0.4744297117329177
Energy: 0.47526405030683144
Energy: 0.47537451757327054
Energy: 0.47484586810282076
Energy: 0.47415774084762047
Energy: 0.4762293791655029
Energy: 0.48918264544980344
Energy: 0.47627867449213135
Energy: 0.5137250006212138
Energy: 0.47687802782027694
Energy: 0.47555202306858835
Energy: 0.47528836532242313
Energy: 0.4784750361197962
Energy: 0.4734543459109988
Energy: 0.47352358592115007
Energy: 0.4793590106440838
Energy: 0.47910320659783684
Energy: 0.47475149181772547
Energy: 0.4748647782323314
Energy: 0.47555327093659255
Energy: 0.47490582039102164
Energy: 0.48874643295249415
Energy: 0.4742427874833847
Energy: 0.48999874536481164
Energy: 0.49543406157972214
Energy: 0.47573231179495534
Energy: 0.49030803147093543
Energy: 0.4893160420467862
Energy: 0.474795561567723
Energy: 0.489452112910042
Energy: 0.48860966180650456
Energy: 0.5198951988336832
Energy: 0.5204451942255316
Energy: 0.48874102306724015
Energy: 0.5194593707163168
Energy: 0.5196686440287884
Energy: 0.4799812298515397
Energy: 0.5213257853796001
Energy: 0.5214844386489988
Energy: 0.47660266944376867
Energy: 0.5197423128168434
Energy: 0.5000338327014813
Energy: 0.49286428871883975
Energy: 0.5173829097029788
Energy: 0.5178182490029218
Energy: 0.49210358272121096
Energy: 0.5224923435017937
Energy: 0.5186141002511393
Energy: 0.49299431802896043
Energy: 0.49835835982480325
Energy: 0.499999196492079
Energy: 0.4912113535459769
Energy: 0.473191876701777
Energy: 0.5637312850369868
Energy: 0.5644774137811811
Energy: 0.5000642887584433
Energy: 0.5364888140755202
Energy: 0.5631989426945294
Energy: 0.5010217093555341
Energy: 0.5611151479909374
Energy: 0.5330913673962483
Energy: 0.5603415009561624
Energy: 0.5604201476635915
Energy: 0.5332061024319655
Energy: 0.5614020684625457
Energy: 0.5606545623105932
Energy: 0.495606823708156
Energy: 0.6085226321014485
Energy: 0.5852142401493264
Energy: 0.49794982846272573
Energy: 0.6063154031484671
Energy: 0.531382605408495
Energy: 0.5657716127846097
Energy: 0.5603448075856199
Energy: 0.5610741450076169
Energy: 0.5604786885781565
Energy: 0.626925811487939
Energy: 0.6372756080747959
Energy: 0.5601084588586827
Energy: 0.5292986188004498
Energy: 0.5316329967837278
Energy: 0.5594673955999565
Energy: 0.4954904112196907
Energy: 0.5765486227822197
Energy: 0.6777035901567767
Energy: 0.5741360117928975
Energy: 0.534535542607143
Energy: 0.6320883363260399
Energy: 0.5293284037025113
Energy: 0.5606142565936938
Energy: 0.5727109839213196
Energy: 0.6216077552635961
Energy: 0.5616994387247831
Energy: 0.5729967311370147
Energy: 0.6119926115341655
Energy: 0.5834182249434365

minimum gb energy = 0.4711551650704096 eV
minimum distance =  2.51853273675417 Angstroms
sigma value = 67


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

Energy: 0.6786727089333401
Energy: 0.719515153216605
Energy: 0.7736341894840527
Energy: 0.5960096423404826
Energy: 0.7138838384899161
Energy: 0.7743199871254624
Energy: 0.7690935451012962
Energy: 0.6233060274629814
Energy: 0.6265648645441114
Energy: 0.6928164362863625
Energy: 0.7633864838559075
Energy: 0.6273258187977109
Energy: 0.7608103580055354
Energy: 0.6242055509826666
Energy: 0.6646240592705687
Energy: 0.6889918404778932
Energy: 0.6184521101988762
Energy: 0.6799210334977711
Energy: 0.6910534235209961
Energy: 0.6256537626027127
Energy: 0.670624027616846
Energy: 0.6921060712562336
Energy: 0.6100116179931011
Energy: 0.6785477886894644
Energy: 0.6866617815045774
Energy: 0.6241598216401528
Energy: 0.6257516916704031
Energy: 0.6283193516089066
Energy: 0.7699812763792445
Energy: 0.6328501220077646
Energy: 0.5797091966195509
Energy: 0.6204184437064879
Energy: 0.6793258312594203
Energy: 0.6231202061471526
Energy: 0.6253926246723872
Energy: 0.6170775474164494
Energy: 0.6957576677452052
Energy: 0.6268664260558203
Energy: 0.6319185718578577
Energy: 0.7033461630431421
Energy: 0.6241717474595848
Energy: 0.6282672077908715
Energy: 0.6945635638688642
Energy: 0.5881740331590464
Energy: 0.5792698190112942
Energy: 0.6955321313534346
Energy: 0.5837660436451971
Energy: 0.6191570403348616
Energy: 0.5885289285748451
Energy: 0.6347430328627496
Energy: 0.6122378974682832
Energy: 0.6253443505254224
Energy: 0.6198067190697072
Energy: 0.629968293592226
Energy: 0.5821264630415648
Energy: 0.6260103755288
Energy: 0.6205413823103296
Energy: 0.582061399205792
Energy: 0.6215809771541962
Energy: 0.6182595683548802
Energy: 0.581309381222113
Energy: 0.6210991444808677
Energy: 0.5834059067309497
Energy: 0.585482588854456
Energy: 0.6181421618973378
Energy: 0.5816622813286085
Energy: 0.5884327822902877
Energy: 0.6279334081985898
Energy: 0.6122747559027792
Energy: 0.5893595569418978
Energy: 0.6234965555192032
Energy: 0.5813569751363514
Energy: 0.5922310221515434
Energy: 0.5909750728374512
Energy: 0.5830259868130759
Energy: 0.5915495362269719
Energy: 0.5857451614841677
Energy: 0.5817969272177845
Energy: 0.6176714284843887
Energy: 0.6066198322010232
Energy: 0.5931491773170439
Energy: 0.5843952822888467
Energy: 0.5817731981482962
Energy: 0.5819880254603661
Energy: 0.6477468347099862
Energy: 0.588681987038296
Energy: 0.5810754325482113
Energy: 0.6484868773062741
Energy: 0.5833700865250014
Energy: 0.5816486236732958
Energy: 0.6453837919905603
Energy: 0.5918428841967878
Energy: 0.5825135425907175
Energy: 0.622774958724134
Energy: 0.5807133373945889
Energy: 0.6208143325600008
Energy: 0.6265040488005511
Energy: 0.5795441292354306
Energy: 0.570617571524584
Energy: 0.627710986834514
Energy: 0.5752240605867043
Energy: 0.6167883443543977
Energy: 0.6278765090323505
Energy: 0.6277555151805829
Energy: 0.6238504592933558
Energy: 0.6199471824979564
Energy: 0.6243414619715278
Energy: 0.6194927436783555
Energy: 0.5704422595799576
Energy: 0.5845739013184212
Energy: 0.5905334430621055
Energy: 0.5961950945617119
Energy: 0.6588047825516942
Energy: 0.5892500893675577
Energy: 0.6200497044161051
Energy: 0.7024447829323055
Energy: 0.6254635209240406
Energy: 0.6201574552669151
Energy: 0.69771618594892
Energy: 0.6265855011237033
Energy: 0.627320152491278
Energy: 0.6558857681486328
Energy: 0.6475838361076139
Energy: 0.6279065438005107
Energy: 0.5950367520885018
Energy: 0.5913294833126446
Energy: 0.7607021837510131
Energy: 0.596471586139458
Energy: 0.646675633876296
Energy: 0.6895884008388704
Energy: 0.5931320617956201
Energy: 0.6559773872160111
Energy: 0.7338700545456988
Energy: 0.7027581397256947
Energy: 0.6292835905240931
Energy: 0.7398079103762206
Energy: 0.6926052939727045
Energy: 0.6217555842308193

minimum gb energy = 0.5704422595799576 eV
minimum distance =  2.49906783336386 Angstroms
sigma value = 33


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

Energy: 1.1203603462670289
Energy: 0.7412763214339383
Energy: 0.8784180822330865
Energy: 0.677089480472673
Energy: 0.7415271637760236
Energy: 0.6307928095668592
Energy: 0.793252500532244
Energy: 0.659624253211562
Energy: 0.657117005321059
Energy: 0.7306340542822922
Energy: 0.7289333454709352
Energy: 0.6990604972011496
Energy: 0.8362190494594024
Energy: 0.652545437874501
Energy: 0.6518120192774718
Energy: 0.7249093514771403
Energy: 0.6489374426083651
Energy: 0.6635688513465495
Energy: 0.7206241759562158
Energy: 0.7259920554460706
Energy: 0.6924645930181386
Energy: 0.7219193619862952
Energy: 0.7295905027658528
Energy: 0.6631997961563147
Energy: 0.7202869988308358
Energy: 0.815087345613454
Energy: 0.656862217250204
Energy: 0.7273502192111997
Energy: 0.7302993696376769
Energy: 0.6977229361460882
Energy: 0.6471878798693025
Energy: 0.6682514531542036
Energy: 0.650583798832445
Energy: 0.6534550787133735
Energy: 0.6507905140598881
Energy: 0.6471153302404652
Energy: 0.7203710863394313
Energy: 0.6529280349013286
Energy: 0.7074455175339356
Energy: 0.7257624706772959
Energy: 0.652946010792438
Energy: 0.6590253006240803
Energy: 0.7198955681068719
Energy: 0.6504561601463869
Energy: 0.6511549122829801
Energy: 0.7200042758898688
Energy: 0.6556575437695704
Energy: 0.6556004764821548
Energy: 0.7100771555887847
Energy: 0.7367069731300302
Energy: 0.6510490803391721
Energy: 0.6609405921501054
Energy: 0.649344021969075
Energy: 0.6595098374395225
Energy: 0.7070263393725169
Energy: 0.6505891815483894
Energy: 0.6500307501510764
Energy: 0.6789842324209069
Energy: 0.6527380030429397
Energy: 0.6606957872699561
Energy: 0.7001791291237449
Energy: 0.6586401411941892
Energy: 0.6551552282071321
Energy: 0.6532583240860143
Energy: 0.6518638714236332
Energy: 0.6594630144539189
Energy: 0.6500432548710964
Energy: 0.6505475588217177
Energy: 0.656933185132786
Energy: 0.6501458583854028
Energy: 0.6718634926280722
Energy: 0.6678611495730582
Energy: 0.6511582097894751
Energy: 0.6557788156169106
Energy: 0.6517762170485296
Energy: 0.6509088418211345
Energy: 0.6611091918832097
Energy: 0.6502229629166489
Energy: 0.630216693279251
Energy: 0.6576868250971664
Energy: 0.6561896640132067
Energy: 0.6336338732750795
Energy: 0.7028487102795375
Energy: 0.6303397656400644
Energy: 0.6306806554217115
Energy: 0.7290894048951299
Energy: 0.6564680345162429
Energy: 0.6301933884534716
Energy: 0.7249677259411321
Energy: 0.6666695510270434
Energy: 0.6586152728157979
Energy: 0.6659184614631133
Energy: 0.6674706257349335
Energy: 0.6611170447863313
Energy: 0.6657399487344972
Energy: 0.6566269568986467
Energy: 0.8311711806131614
Energy: 0.6664185359517675
Energy: 0.6667475704426131
Energy: 0.7235018778609308
Energy: 0.6713869033025792
Energy: 0.6303242533277438
Energy: 0.8156696889748188
Energy: 0.7289414206421155
Energy: 0.659649145699103
Energy: 0.7298625677521796
Energy: 0.7263838388969241
Energy: 0.6515464932089347
Energy: 0.6630962794773577
Energy: 0.7270051508635605
Energy: 0.667142875602315
Energy: 0.663417353364919
Energy: 0.7246313888454117
Energy: 0.6640172105548575
Energy: 0.7640570653752765
Energy: 0.8107907664437094
Energy: 0.6538875761485503
Energy: 0.7794445795621578
Energy: 0.7260211610103889
Energy: 0.6983149144776865
Energy: 0.833942964519372
Energy: 0.6490834378315908
Energy: 0.6876071194108632
Energy: 0.7258197735724997
Energy: 0.7311873266884934
Energy: 0.6508342596433306
Energy: 0.7225990337513696
Energy: 0.7260069069201831
Energy: 0.6520658115971665
Energy: 0.7232582291932894
Energy: 0.723685926083678
Energy: 0.6470455309592263
Energy: 0.7206079905911553
Energy: 0.8136279325387213
Energy: 0.6560362586432898
Energy: 0.7268206852263556
Energy: 0.7299978133675517
Energy: 0.6989160675614227
Energy: 0.6459499415813089
Energy: 0.6516915011354573
Energy: 0.6672364588511994
Energy: 0.6464485839089722
Energy: 0.6534131399395791
Energy: 0.6542575717738529
Energy: 0.7202737449774385
Energy: 0.6520139490649192
Energy: 0.6525360690278195
Energy: 0.7262210492644307
Energy: 0.6528076399573406
Energy: 0.6592324865488545
Energy: 0.720138972663842
Energy: 0.6505385752175885
Energy: 0.6509884297546686
Energy: 0.7200806617423023
Energy: 0.6545919583076802
Energy: 0.6555927340688655
Energy: 0.7100014370196768
Energy: 0.6506433446466875
Energy: 0.6507787080832246
Energy: 0.657969956344237
Energy: 0.6677111038184169
Energy: 0.6574972155652012
Energy: 0.7098892943501224
Energy: 0.6507449184439131
Energy: 0.6499992898546546
Energy: 0.6571930513248427
Energy: 0.653175968203233
Energy: 0.6650770253120465
Energy: 0.6993863995150522
Energy: 0.651239785698462
Energy: 0.6555114177074745
Energy: 0.6547928459394526
Energy: 0.6496521583387693
Energy: 0.6656619285756205
Energy: 0.649868410568472
Energy: 0.6505324369675022
Energy: 0.661505969410982
Energy: 0.6500569503940082
Energy: 0.666122965248246
Energy: 0.6500931340865836
Energy: 0.6551424651432766
Energy: 0.656142807845678
Energy: 0.6667892891335465
Energy: 0.6504638245002797
Energy: 0.6583339466923191
Energy: 0.6504204199682474
Energy: 0.6300637591102127
Energy: 0.656096360562253
Energy: 0.6561227899255014
Energy: 0.6326189024832325
Energy: 0.6804580421608017
Energy: 0.6303034245831378
Energy: 0.6303306341395777
Energy: 0.7302082980359016
Energy: 0.6559374461458275
Energy: 0.6300663825926744
Energy: 0.7255450845082734
Energy: 0.6672412188828037
Energy: 0.659179976987282
Energy: 0.6683320387782645
Energy: 0.7252984790682243
Energy: 0.7213022988415254
Energy: 0.6657795034422669
Energy: 0.655105506564472
Energy: 0.8535968005766374
Energy: 0.6661690407014869
Energy: 0.6665374813028287
Energy: 0.7237426820602633
Energy: 0.6336166380505247
Energy: 0.6302677335074028
Energy: 0.8143676754564246
Energy: 0.7264535382880384
Energy: 0.6510921722213329
Energy: 0.7293634205475321
Energy: 0.7281052697317189
Energy: 0.7164511642249206
Energy: 0.6638220943365515
Energy: 0.7252047255608655
Energy: 0.6663382751258764
Energy: 0.669537332144461
Energy: 0.7240741007833661
Energy: 0.66414490564659

minimum gb energy = 0.6300637591102127 eV
minimum distance =  2.5074069975027 Angstroms
sigma value = 41


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

Energy: 1.0253148454135108
Energy: 0.8103503983754018
Energy: 0.7354337702916387
Energy: 0.739269047688907
Energy: 0.784818967871706
Energy: 0.7352737869426529
Energy: 0.8782729283521008
Energy: 0.746338228339807
Energy: 0.7432557857844242
Energy: 0.7763699758102779
Energy: 0.7663270154655671
Energy: 0.742177229327371
Energy: 0.9017954158855289
Energy: 0.7428687122327884
Energy: 0.7390691860045492
Energy: 0.7674958559724658
Energy: 0.7465312066187333
Energy: 0.7384856905245301
Energy: 0.7822710194519784
Energy: 0.7428862945994646
Energy: 0.7389902686372809
Energy: 0.7703600153415416
Energy: 0.7461449003997076
Energy: 0.7419145703215698
Energy: 0.7667589816482621
Energy: 0.7485840789123523
Energy: 0.743261117851728
Energy: 0.7499593462171471
Energy: 0.765076887220012
Energy: 0.7423130936428469
Energy: 0.7945699045645622
Energy: 0.7467417535931523
Energy: 0.742599257535715
Energy: 0.7472196340737329
Energy: 0.7877034922350908
Energy: 0.7428348941841983
Energy: 0.7666802863280422
Energy: 0.7627978129900741
Energy: 0.7416608244356769
Energy: 0.7523730152436461
Energy: 0.7891979598442258
Energy: 0.7439035107441416
Energy: 0.77460798861651
Energy: 0.7460934810424124
Energy: 0.7426184347452719
Energy: 0.7759153736932352
Energy: 0.7503864019947504
Energy: 0.7435642609301607
Energy: 0.8389411638907139
Energy: 0.746789668420143
Energy: 0.7424619395072004
Energy: 0.7210718682250828
Energy: 0.7672127185303846
Energy: 0.7421595810209738
Energy: 0.79784993531969
Energy: 0.7474139826370731
Energy: 0.7425691713826302
Energy: 0.7506684335796151
Energy: 0.7674842111748286
Energy: 0.7412223681293184
Energy: 0.786544203318104
Energy: 0.7461534517729046
Energy: 0.759179243943377
Energy: 0.7489763930369149
Energy: 0.7202550535608871
Energy: 0.7432795766598914
Energy: 0.9093462738540367
Energy: 0.7190559990215359
Energy: 0.7201310424206315
Energy: 0.9092358328652113
Energy: 0.7195727284169038
Energy: 0.7213257255823756
Energy: 0.9043971597841228
Energy: 0.7641849477141633
Energy: 0.7574421456778916
Energy: 0.7703388595210078
Energy: 0.7466232771939978
Energy: 0.7590652627767617
Energy: 0.7186729922116859
Energy: 0.7530836095919543
Energy: 0.7195756888968866
Energy: 0.7238856544168832
Energy: 0.7683699248737269
Energy: 0.720349458113199

minimum gb energy = 0.7186729922116859 eV
minimum distance =  2.52191051119417 Angstroms
sigma value = 11


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

Energy: 0.8451761344250318
Energy: 0.9129226022970661
Energy: 0.863002148166882
Energy: 0.8709529853228952
Energy: 0.9605754650855565
Energy: 0.8790582814999911
Energy: 1.000448410540931
Energy: 0.8464832702656097
Energy: 0.8449944976180089
Energy: 0.8388075047430127
Energy: 0.8554935926022095
Energy: 0.845765541674831
Energy: 0.9939119592776614
Energy: 0.8361988183912376
Energy: 0.8352036120637681
Energy: 0.8397654141472204
Energy: 0.8504759553894882
Energy: 0.8370703643080354
Energy: 0.8927192241788289
Energy: 0.8358428905783936
Energy: 0.8392510485205225
Energy: 0.8379160262117004
Energy: 0.8363570872455123
Energy: 0.8382491216044408
Energy: 0.8893237266252433
Energy: 0.8490971095317276
Energy: 0.8470884262922785
Energy: 0.8497607852436074
Energy: 0.8600960922444354
Energy: 0.8465015781477347
Energy: 0.8820430836867998
Energy: 0.8723461791297445
Energy: 0.8491809943710231
Energy: 0.8493376197555559
Energy: 0.8705196084894705
Energy: 0.8447034020614349
Energy: 0.8706503904110274
Energy: 0.846459475153952
Energy: 0.8502135839383202
Energy: 0.8707143448613349
Energy: 0.8466777051371853
Energy: 0.8501897349813863
Energy: 0.8667519685738163
Energy: 0.8463624416851702
Energy: 0.8459185705352177
Energy: 0.854552302419785
Energy: 0.8498570858378445
Energy: 0.8481911327164872
Energy: 0.842265040072339
Energy: 0.838146734337437
Energy: 0.837520719682322
Energy: 0.829161460424445
Energy: 0.8387437560465159
Energy: 0.8429081287850384
Energy: 0.869865263545462
Energy: 0.8379575904043547
Energy: 0.8373491477897623
Energy: 0.8295408850530641
Energy: 0.8385700538369009
Energy: 0.842740924479386
Energy: 0.8674940264600284
Energy: 0.8480049648361613
Energy: 0.8467712534468149
Energy: 0.8538765022714184
Energy: 0.8575313845182156
Energy: 0.847548355058413
Energy: 0.8560737613074644
Energy: 0.8482216890742869
Energy: 0.8424658378605459
Energy: 0.8575933605207474
Energy: 0.8485620349605685
Energy: 0.835159443029201
Energy: 0.853569556196102
Energy: 0.8383809184437506
Energy: 0.837866357419013
Energy: 0.855162806873492
Energy: 0.838482278417391
Energy: 0.8390261169541512
Energy: 0.8585009735378438
Energy: 0.838807682205845
Energy: 0.837693279252873
Energy: 0.845430292851587
Energy: 0.8395847778818624
Energy: 0.8373408602732074
Energy: 0.8471845255699028
Energy: 0.840077739001379
Energy: 0.8374992523881489
Energy: 0.8522878376827874
Energy: 0.838374739717997
Energy: 0.8373293323587686
Energy: 0.8473991434910256
Energy: 0.8407683230982134
Energy: 0.8384421593849773
Energy: 0.8491794532015562
Energy: 0.8375895401328999
Energy: 0.8388019420105972
Energy: 0.8465722754150522
Energy: 0.8413872660825006
Energy: 0.8388203589766827
Energy: 0.8490105008594186
Energy: 0.8416585967781687
Energy: 0.8393018028010798
Energy: 1.0171055908439544
Energy: 0.8952520764935347
Energy: 0.8960385464658283
Energy: 0.8443524876215723
Energy: 0.8968051005788659
Energy: 0.8450131392608292
Energy: 0.8602993779455231
Energy: 0.8371549103136847
Energy: 0.8390333398963356
Energy: 0.8597359621037564
Energy: 0.8409131972811167
Energy: 0.83928186442097
Energy: 0.8615472306150782
Energy: 0.8422609950301281
Energy: 0.8412906956294547
Energy: 0.8454735425626115
Energy: 0.8560727010484428
Energy: 0.8288400179414314
Energy: 0.9151489490486999
Energy: 0.8445541052479261
Energy: 0.8308059018860434
Energy: 0.8506440124994787
Energy: 0.8456856385436317
Energy: 0.8377864586041838
Energy: 0.8640317019210809
Energy: 0.8395419292605204
Energy: 0.8383221597141979
Energy: 0.8561821550768658
Energy: 0.8494598985120404
Energy: 0.837507684964587
Energy: 0.8478606876808209
Energy: 0.8388113227698166
Energy: 0.8354431228257458
Energy: 0.8500302735998098
Energy: 0.842445302654431
Energy: 0.8354361552797798
Energy: 0.915245204152554
Energy: 0.8595167239854786
Energy: 0.8374479859745014
Energy: 0.842667100445114
Energy: 0.8605440812174994
Energy: 0.8374754209050467
Energy: 0.9288511725659493
Energy: 0.8380903957049136
Energy: 0.8378484284666908
Energy: 0.8973950180476908
Energy: 0.8469057213798307
Energy: 0.8386126917268161
Energy: 0.9227053372483154
Energy: 0.8554274087179294
Energy: 0.8389493907574558
Energy: 0.8424810463065544
Energy: 0.8599246464956288
Energy: 0.8378510981990502
Energy: 0.9269881556429049
Energy: 0.838458906637624
Energy: 0.8394792093806812
Energy: 0.838300715650793
Energy: 0.8501821377116531
Energy: 0.8376993467878807
Energy: 0.9176750091885842
Energy: 0.8422313898022733
Energy: 0.8381307042881541
Energy: 0.8380266056788063
Energy: 0.8523505129628007
Energy: 0.8370342416900071
Energy: 0.9248944053766881
Energy: 0.8308537928412059
Energy: 0.8292172789531388
Energy: 0.8396094019403031
Energy: 0.8425177262977852
Energy: 0.8291409675991576
Energy: 0.9971011906076109
Energy: 0.8490234467534844
Energy: 0.8377445009734866
Energy: 0.838556490112254
Energy: 0.8529810553148733
Energy: 0.8373124355436754
Energy: 0.851178882299437
Energy: 0.8559533819310696
Energy: 0.827927869955184
Energy: 0.8565790776524291
Energy: 0.85838717763534
Energy: 0.8280979944479001

minimum gb energy = 0.827927869955184 eV
minimum distance =  2.53256287285551 Angstroms
sigma value = 57


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

Energy: 1.1604226750401059
Energy: 0.8687230066361533
Energy: 0.8571907816001963
Energy: 0.9600640733999044
Energy: 1.290886011489554
Energy: 0.8505578215754961
Energy: 0.9181888848939541
Energy: 0.8528407266605036
Energy: 0.8553553167536966
Energy: 0.8555003165164243
Energy: 0.8526844175672628
Energy: 0.8554159705380212
Energy: 0.9189706362474722
Energy: 0.8493150520939463
Energy: 0.8490705156359641
Energy: 0.8459672491945688
Energy: 0.8488957663550083
Energy: 0.8570557913876491
Energy: 0.8414698450750197
Energy: 0.856096216676811
Energy: 0.8535781409532518
Energy: 0.8460923362780511
Energy: 0.839597265717936
Energy: 0.8541330596004362
Energy: 0.8496353127459416
Energy: 0.852619448304863
Energy: 0.8545503955763816
Energy: 0.844921743756104
Energy: 0.851065598961903
Energy: 0.8533623330773689
Energy: 0.8446019687262677
Energy: 0.8548158868381565
Energy: 0.8540196028605258
Energy: 0.8553365159285696
Energy: 0.8540452207941569
Energy: 0.8551750010973288
Energy: 0.9031525646759784
Energy: 0.8502305707492731
Energy: 0.8550069296726498
Energy: 0.8542702806916265
Energy: 0.8452138391673025
Energy: 0.8553168500173391
Energy: 0.9198396503417974
Energy: 0.8541184189117383
Energy: 0.8568647355321061
Energy: 0.8524780677323633
Energy: 0.846902326464858
Energy: 0.8548986615413311
Energy: 0.8747996713189382
Energy: 0.8512301790559879
Energy: 0.8462181353347665
Energy: 0.8349415594423559
Energy: 0.8467987859810686
Energy: 0.8459803665535341
Energy: 0.8274679282211039
Energy: 0.8514700977671483
Energy: 0.8462309761754194
Energy: 0.8347005822055331
Energy: 0.8506422100269041
Energy: 0.8459170973502211
Energy: 0.9182327525689226
Energy: 0.854433951304427
Energy: 0.8566726792572179
Energy: 0.8531952689972797
Energy: 0.8498842167316257
Energy: 0.8548917913492554
Energy: 0.8408962578089481
Energy: 0.8585619387296488
Energy: 0.8579257217806793
Energy: 0.8435309453846561
Energy: 0.8455149982745827
Energy: 0.8548774064106434
Energy: 0.8506167821599567
Energy: 0.8533438395906328
Energy: 0.8539989217892544
Energy: 0.8533218940915689
Energy: 0.8529321418493144
Energy: 0.8528882056471516
Energy: 0.8425775928534541
Energy: 0.849966040100625
Energy: 0.8534701594004733
Energy: 0.8544443118838286
Energy: 0.9177634002177408
Energy: 0.8537777121301886
Energy: 0.8501335317492235
Energy: 0.8456235416714217
Energy: 0.8547950236587978
Energy: 0.8536191195028271
Energy: 0.8522235574735032
Energy: 0.8544241822342389
Energy: 0.913645142836698
Energy: 0.8457552023769599
Energy: 0.8481351819367628
Energy: 0.8453671492213256
Energy: 0.8535454520952961
Energy: 0.8546136105901115
Energy: 0.8279261670366972
Energy: 0.8526220495417522
Energy: 0.8553626678141719
Energy: 0.8281180491464092
Energy: 0.8540904814983573
Energy: 0.8584766556646775

minimum gb energy = 0.8274679282211039 eV
minimum distance =  2.50966617248759 Angstroms
sigma value = 9


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

Energy: 1.4351785384792097
Energy: 0.9745162105593604
Energy: 0.900066850322005
Energy: 0.9337900123941292
Energy: 0.9490268748487907
Energy: 0.902648750110073
Energy: 1.008386718931276
Energy: 0.9118328263929483
Energy: 0.9104348786415696
Energy: 0.9091008028445997
Energy: 0.9328011897883491
Energy: 0.9122832715554168
Energy: 0.9325252086279632
Energy: 0.915883957614184
Energy: 0.9066146700286376
Energy: 0.909835588161368
Energy: 0.9191055201500498
Energy: 0.9051312461364547
Energy: 0.9132518859766465
Energy: 0.9052353217824016
Energy: 0.9050159038283646
Energy: 0.9143013271388756
Energy: 0.9048355828647935
Energy: 0.9040766665437711
Energy: 0.9204529981577636
Energy: 0.9075912042893725
Energy: 0.9071265206925297
Energy: 0.9225538862934987
Energy: 0.9149847460843757
Energy: 0.9077862292721633
Energy: 0.9030419734767802
Energy: 0.9037232340824956
Energy: 0.9023915676135748
Energy: 0.903898501599522
Energy: 0.9053691088664129
Energy: 0.901257056351337
Energy: 0.9121641415399813
Energy: 0.8965166941239546
Energy: 0.8943505782865917
Energy: 0.8976392095728898
Energy: 0.8956551484753551
Energy: 0.9008988775479462
Energy: 0.9504459886871224
Energy: 0.9033288240573679
Energy: 0.9013271774440956
Energy: 0.9024141222683107
Energy: 0.9100075263348774
Energy: 0.9009263808047622
Energy: 0.9407633319614451
Energy: 0.8951527992376408
Energy: 0.8948404319143484
Energy: 0.9106358915649901
Energy: 0.9049970007092614
Energy: 0.9066343169366887
Energy: 0.9350160979961414
Energy: 0.8949961746050885
Energy: 0.8951345183576883
Energy: 0.8994950347365827
Energy: 0.9028037505250532
Energy: 0.8956501321771198
Energy: 0.9470538313395085
Energy: 0.8995516115449149
Energy: 0.8966090276597369
Energy: 0.9009364666201262
Energy: 0.9033231181330709
Energy: 0.8943158287624594
Energy: 0.9432898154893781
Energy: 0.9170325022350485
Energy: 0.9141732459839356
Energy: 0.9298242079944807
Energy: 0.9198430861144675
Energy: 0.9126853150978432
Energy: 1.0699688082171277
Energy: 0.9074511619497386
Energy: 0.9073703075405516
Energy: 0.905706719571891
Energy: 0.9087276790994302
Energy: 0.9038765596169716
Energy: 0.9525417177614788
Energy: 0.9041428962424667
Energy: 0.9027349978522151
Energy: 0.9036203853317228
Energy: 0.9072804399600469
Energy: 0.9032915631302437
Energy: 0.9465259273458245
Energy: 0.8951462208155215
Energy: 0.8943521481287486
Energy: 0.933511777927639
Energy: 0.9006018292123268
Energy: 0.911768086672874
Energy: 0.934430254519197
Energy: 0.8926257918531476
Energy: 0.8934893684513178
Energy: 0.9191910558445818
Energy: 0.9110637236250614
Energy: 0.8930598553523054
Energy: 0.9340690178677926
Energy: 0.9061527071540166
Energy: 0.9040871753568908
Energy: 0.9073397993154981
Energy: 0.9100215350573699
Energy: 0.9040741711116156
Energy: 1.0053906626358833
Energy: 0.9202882472920724
Energy: 0.9167451866167454
Energy: 0.9208453298258108
Energy: 0.9282765560328845
Energy: 0.9168069829897254
Energy: 0.9264480707496183
Energy: 0.9104720726716188
Energy: 0.9076450480589968
Energy: 0.9074732141363037
Energy: 0.9035696658847747
Energy: 0.9073088908277404
Energy: 0.9359310964971291
Energy: 0.9079524654883249
Energy: 0.9059916221617279
Energy: 0.9391034595909337
Energy: 0.9114606552683141
Energy: 0.9052087045725496
Energy: 0.9241279863209835
Energy: 0.9316891654539804
Energy: 0.9210482474778839
Energy: 0.9079956556406596
Energy: 0.9325599748691059
Energy: 0.9178715647227165

minimum gb energy = 0.8926257918531476 eV
minimum distance =  2.47493689707651 Angstroms
sigma value = 27


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

Energy: 0.8291739607088903
Energy: 1.337723957608978
Energy: 0.8463277485287533
Energy: 0.8303347345601744
Energy: 1.3361833321152705
Energy: 0.8425997853067608
Energy: 0.9392859976145915
Energy: 0.8439065937684176
Energy: 0.8395457799556346
Energy: 0.8432550056530266
Energy: 0.8488515547705202
Energy: 0.8399668662343515
Energy: 0.8603143848438586
Energy: 0.8467906310209744
Energy: 0.8430443465518502
Energy: 0.862466605682753
Energy: 0.8348160646786028
Energy: 0.8415839496021285
Energy: 0.8636460993160682
Energy: 0.8439189019445088
Energy: 0.8417214393180307
Energy: 0.8615012153460164
Energy: 0.8406324768403447
Energy: 0.8413899729073124
Energy: 0.8552463999568414
Energy: 0.8523866967937104
Energy: 0.8456302827839853
Energy: 0.8570754907490409
Energy: 0.8575988655314353
Energy: 0.8436526241754991
Energy: 0.8514349079436644
Energy: 0.8445027770219973
Energy: 0.8397020832312999
Energy: 0.85253863088909
Energy: 0.8522032177717708
Energy: 0.838956678374647
Energy: 0.8684111771559694
Energy: 0.8373779393343465
Energy: 0.8421287846095693
Energy: 0.8700585188675976
Energy: 0.8336147123424471
Energy: 0.845303552766157
Energy: 0.8733053029734118
Energy: 0.8295397155860682
Energy: 0.8419272468347095
Energy: 0.8517787058366452
Energy: 0.827483904043276
Energy: 0.8405912436057338
Energy: 0.9368930903883763
Energy: 0.8429937037896297
Energy: 0.8397816976326753
Energy: 0.8416400152482608
Energy: 0.8517727625734429
Energy: 0.8384344867282155
Energy: 0.9402658996127005
Energy: 0.8520525806178879
Energy: 0.8477646141898485
Energy: 0.8389367865810827
Energy: 0.8516116834213675
Energy: 0.8428423652781252
Energy: 0.8734135893407491
Energy: 0.8425360144992996
Energy: 0.8402445044547704
Energy: 0.8552655139399392
Energy: 0.8353805546651221
Energy: 0.8418145172055121
Energy: 0.9189824069385817
Energy: 0.8425523747676424
Energy: 0.8401070923484967
Energy: 0.8499839722172703
Energy: 0.848936783202685
Energy: 0.8383415012233646
Energy: 0.8348090879763174
Energy: 0.8616113583283449
Energy: 0.8409958093370241
Energy: 0.8370346640522643
Energy: 0.863171545725518
Energy: 0.8420060832719244
Energy: 0.8302095037010281
Energy: 0.8488059148134003
Energy: 0.8444479650346204
Energy: 0.8406450444113704
Energy: 0.8538525703292411
Energy: 0.8265577076591523
Energy: 0.874153554820704
Energy: 0.8392018439509049
Energy: 0.8420543093655036
Energy: 0.856330029449017
Energy: 0.838917027733334
Energy: 0.842976613977412
Energy: 0.8519196337550817
Energy: 0.8388473543785707
Energy: 0.8371974042202777
Energy: 0.85224253610652
Energy: 0.8498795553224389
Energy: 0.8382788354465666
Energy: 0.850193101110586
Energy: 0.844044987773219
Energy: 0.8411109170479452
Energy: 0.8366780748847473
Energy: 0.8487726939182101
Energy: 0.8409200409833142
Energy: 0.8539258475255497
Energy: 0.846037362744446
Energy: 0.8420343221922221
Energy: 0.8416283579874456
Energy: 0.8508999463860477
Energy: 0.8398596268559654
Energy: 0.86052823340467
Energy: 0.8269345150235573
Energy: 0.8372131771625051
Energy: 0.8604756749652531
Energy: 0.8468019782274565
Energy: 0.8352145360277344
Energy: 0.8732265815885228
Energy: 0.8272098179125038
Energy: 0.8365954710440745
Energy: 0.8588535041852124
Energy: 0.8478947990863942
Energy: 0.8346373721222932
Energy: 0.9191661922473403
Energy: 0.8461611440338815
Energy: 0.8425808377233122
Energy: 0.8401122762742016
Energy: 0.8516957176343098
Energy: 0.8405265368354201
Energy: 0.8467610596672429
Energy: 0.8454679904741224
Energy: 0.8393163383099832
Energy: 0.8469038168450501
Energy: 0.8601127244391693
Energy: 0.8425508569938732
Energy: 0.9190840758894148
Energy: 0.8449826665368431
Energy: 0.8409956789980777
Energy: 0.8494293888610117
Energy: 0.8449743280798955
Energy: 0.8388040175404976
Energy: 0.8710577533487467
Energy: 0.8411370028394864
Energy: 0.8408661807306934
Energy: 0.85713003663997
Energy: 0.845624926495567
Energy: 0.8447522375630688
Energy: 0.8300784695710315
Energy: 0.8477259731662519
Energy: 0.843892393660139
Energy: 0.8404841427113124
Energy: 0.8542848889044958
Energy: 0.8269076536086697

minimum gb energy = 0.8265577076591523 eV
minimum distance =  2.51336263611351 Angstroms
sigma value = 19


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

Energy: 0.9112151722472934
Energy: 0.8669479219112546
Energy: 0.9030009873131355
Energy: 0.8737478683677004
Energy: 0.875438149901792
Energy: 0.9036350656070753
Energy: 1.021566630566566
Energy: 0.8680422388246787
Energy: 0.8695425586238883
Energy: 0.8670581166353779
Energy: 0.8617626272635464
Energy: 0.8687145733051262
Energy: 0.9058270692171561
Energy: 0.8628899767525371
Energy: 0.8687042439507581
Energy: 0.9025141114903474
Energy: 0.8593685019694127
Energy: 0.8706189297715285
Energy: 0.8997994286842854
Energy: 0.8654631339051556
Energy: 0.8651584805319424
Energy: 0.8654183804366303
Energy: 0.8646234463817621
Energy: 0.8649385280669951
Energy: 0.8730563001889049
Energy: 0.8639264006086431
Energy: 0.8612541241272484
Energy: 0.8739194120234219
Energy: 0.8515466740602505
Energy: 0.8641225550573284
Energy: 0.8622688918773104
Energy: 0.8667386202835331
Energy: 0.8656399416680289
Energy: 0.86582164178424
Energy: 0.8643497798983989
Energy: 0.8654455134000988
Energy: 0.893504541339581
Energy: 0.857747552254802
Energy: 0.8612062495917141
Energy: 0.8687366791571833
Energy: 0.8559465424988064
Energy: 0.862929963841409
Energy: 0.8793387663371754
Energy: 0.8605202908910948
Energy: 0.8701040953972682
Energy: 0.8607444691964141
Energy: 0.8607424206770368
Energy: 0.8663646123592613
Energy: 0.8552840519406505
Energy: 0.8739111040803387
Energy: 0.8750997761084685
Energy: 0.8582526345109104
Energy: 0.879751654488927
Energy: 0.8717579738940142
Energy: 0.8559971952431144
Energy: 0.8520327760761707
Energy: 0.8588299594988837
Energy: 0.8677190876820969
Energy: 0.8520717570029224
Energy: 0.8588716601375718
Energy: 0.9035138995226635
Energy: 0.8455021527976647
Energy: 0.8500826299059238
Energy: 0.903639280795155
Energy: 0.8424589552181991
Energy: 0.8412264322450581
Energy: 0.92631847987604
Energy: 0.851736800316285
Energy: 0.8516289293226568
Energy: 0.8511867521458649
Energy: 0.8417217470703768
Energy: 0.8550794207423822
Energy: 0.8869338849583333
Energy: 0.8424632643175076
Energy: 0.8485229497331995
Energy: 0.8541685717319204
Energy: 0.8547892971633553
Energy: 0.8547112960362822
Energy: 0.9079747289848269
Energy: 0.8466415321041099
Energy: 0.8460488157057939
Energy: 0.8415658324046429
Energy: 0.8505947995540525
Energy: 0.8637092881692259
Energy: 0.9004670782469533
Energy: 0.8457551397773448
Energy: 0.8511615130408066
Energy: 0.8655861224468392
Energy: 0.8324255895107591
Energy: 0.8552041495072149
Energy: 0.9068723948078389
Energy: 0.8418036011906541
Energy: 0.8425506223068298
Energy: 0.8440084943372433
Energy: 0.8382103365660688
Energy: 0.8454966344897268
Energy: 0.8568691525624507
Energy: 0.8514903011500072
Energy: 0.8644389501267091
Energy: 0.8350829854392285
Energy: 0.8507034137156593
Energy: 0.8813472673113597
Energy: 0.8698513350024754
Energy: 0.8437929388373692
Energy: 0.8469498290346804
Energy: 0.8304661872384701
Energy: 0.8448162365668801
Energy: 0.8430916278841158
Energy: 0.8962349187758402
Energy: 0.8427726552871356
Energy: 0.8480451250814225
Energy: 0.8707063925290994
Energy: 0.8324646031678562
Energy: 0.8408614711728372
Energy: 0.874152923072463
Energy: 0.8462473037335642
Energy: 0.8491770060024997
Energy: 0.8401287483540822
Energy: 0.8304911954620741
Energy: 0.8410123176908912
Energy: 0.834661450575885
Energy: 0.842373508711789
Energy: 0.8485117800549588
Energy: 0.8380345501620455
Energy: 0.8439090522563045
Energy: 0.8437775716740424
Energy: 0.8308944001973211
Energy: 0.8506027068380732
Energy: 0.8543738566640569
Energy: 0.8338013106855839
Energy: 0.8512108078415538
Energy: 0.8512918827596437
Energy: 0.8517267527515145
Energy: 0.8483317493535825
Energy: 0.8610344677999529
Energy: 0.8433684934529772
Energy: 0.8750527072498759
Energy: 0.8367055491404575
Energy: 0.8707112138096808
Energy: 0.8352165832770204
Energy: 0.8470067362780945
Energy: 0.8355515173398195
Energy: 0.8283480161989106
Energy: 0.8285195590867493
Energy: 0.884381891047832
Energy: 0.8515169712676345
Energy: 0.8540667061624662
Energy: 0.840494202332199
Energy: 0.8510404605094078
Energy: 0.8528123767090696
Energy: 0.8698958740299956
Energy: 0.8692956619725608
Energy: 0.8710209110315421
Energy: 0.8549225819349565
Energy: 0.8824619139025759
Energy: 0.8676093299417892
Energy: 0.8972908107648913
Energy: 0.8622105596853347
Energy: 0.8638440617053069
Energy: 0.855447804745172
Energy: 0.8629490808192092
Energy: 0.8663204415763996
Energy: 0.9062585188830256
Energy: 0.8642169688055761
Energy: 0.8650480714308474
Energy: 0.8669856100959986
Energy: 0.865587317888596
Energy: 0.8676582900348357
Energy: 0.8678241279286353
Energy: 0.9076795389540157
Energy: 0.8448193655304969
Energy: 0.8272822181058128
Energy: 0.860038058297796
Energy: 0.8352266391334895

minimum gb energy = 0.8272822181058128 eV
minimum distance =  2.49529723858186 Angstroms
sigma value = 101


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

Energy: 1.3355903375336586
Energy: 0.8150989895180145
Energy: 0.8315124549752031
Energy: 0.7816930515665224
Energy: 0.8162469756348208
Energy: 0.7811656777055093
Energy: 0.9458298835394597
Energy: 0.8258516598981224
Energy: 0.826287449270993
Energy: 0.8320347185839084
Energy: 0.8186503977551599
Energy: 0.8264791828548583
Energy: 0.8813201349413958
Energy: 0.8172422216406035
Energy: 0.8141239659902457
Energy: 0.8753536115338943
Energy: 0.8120472080389436
Energy: 0.810965843860601
Energy: 0.8450771350784878
Energy: 0.8275849073898266
Energy: 0.8246530960918546
Energy: 0.8249892280312575
Energy: 0.8280564464363176
Energy: 0.8243400088997115
Energy: 0.8275359317014725
Energy: 0.8158560781754828
Energy: 0.815449314087016
Energy: 0.8301534320601768
Energy: 0.8742180384271498
Energy: 0.8342301520770514
Energy: 0.8220586943911941
Energy: 0.8259491384987749
Energy: 0.8246092707046264
Energy: 0.8291300531609368
Energy: 0.8268996938565211
Energy: 0.8253326367485164
Energy: 0.8659268010645926
Energy: 0.8115553755692778
Energy: 0.8073753894393424
Energy: 0.8320543059842751
Energy: 0.8070068916864074
Energy: 0.8095249484270992
Energy: 0.8139763393329521
Energy: 0.8294352963357761
Energy: 0.8283225358303408
Energy: 0.83399540247388
Energy: 0.8263557944728421
Energy: 0.8237288033630458
Energy: 0.8100313981140272
Energy: 0.8163128239052431
Energy: 0.8139080116678665
Energy: 0.811574160876048
Energy: 0.8153224999265262
Energy: 0.8238002623050436
Energy: 0.8128101293020937
Energy: 0.8322255760490838
Energy: 0.8287012929180082
Energy: 0.8137807359115814
Energy: 0.8282434202517904
Energy: 0.8282020610345904
Energy: 0.8288570054357997
Energy: 0.7802178860219919
Energy: 0.78934477207982
Energy: 0.8247658828193096
Energy: 0.7900602912011164
Energy: 0.7828108809130531
Energy: 0.8844658795976472
Energy: 0.8347540580806347
Energy: 0.8305679636802173
Energy: 0.8291483144374395
Energy: 0.8141660672046429
Energy: 0.8307985105624075
Energy: 0.825213555286165
Energy: 0.8161095335866975
Energy: 0.8156884850912365
Energy: 0.8061622672001637
Energy: 0.8153794643667209
Energy: 0.8235738470548161
Energy: 0.8358051247636396
Energy: 0.8180729854444556
Energy: 0.8330101815900964
Energy: 0.8078084782842735
Energy: 0.8187100720108373
Energy: 0.833368965680256
Energy: 0.892042528758102
Energy: 0.8178033980346402
Energy: 0.8144637007024688
Energy: 0.8305208462461164
Energy: 0.8133924210402814
Energy: 0.8147631797895777
Energy: 0.8831668297727042
Energy: 0.813021122599663
Energy: 0.8254695981411169
Energy: 0.8260006665278329
Energy: 0.8132258635442756
Energy: 0.8251595716665727
Energy: 0.8159111423796113
Energy: 0.8592941733506005
Energy: 0.823955064915429
Energy: 0.7805860284695646
Energy: 0.8306722643764571
Energy: 0.7863909245549626
Energy: 0.9056214717937408
Energy: 0.8296919536767279
Energy: 0.8255807564642067
Energy: 0.8314632208085782
Energy: 0.8130321184163621
Energy: 0.8341804758497566
Energy: 0.8814068112636955
Energy: 0.8156456180884294
Energy: 0.8179321081300869
Energy: 0.8501693976698668
Energy: 0.8135453510906612
Energy: 0.8325260685117299
Energy: 0.8640808285781988
Energy: 0.8165868582735124
Energy: 0.8292771922019301
Energy: 0.8249033861274009
Energy: 0.8141905827007396
Energy: 0.8293096236962144
Energy: 0.830082697646043
Energy: 0.8158990407085615
Energy: 0.8143604716175539
Energy: 0.8318111267837045
Energy: 0.8179498397783925
Energy: 0.8388475640688697
Energy: 0.8248455931492079
Energy: 0.8256324826992969
Energy: 0.8259036376133589
Energy: 0.8190648419637866
Energy: 0.8264748765485884
Energy: 0.8254906116970396
Energy: 0.827093506697924
Energy: 0.8140936151925668
Energy: 0.8149966484023117
Energy: 0.8337115095922959
Energy: 0.810034658946305
Energy: 0.8128210945794108
Energy: 0.8133824600812705
Energy: 0.813232700642081
Energy: 0.820981664025822
Energy: 0.8337369295470494
Energy: 0.8119186295724129
Energy: 0.8374620758562448
Energy: 0.8211315467653503
Energy: 0.8267169133912917
Energy: 0.8270891554086051
Energy: 0.8147478265122637
Energy: 0.8258832961886085
Energy: 0.8275366931184535
Energy: 0.8097625386033134
Energy: 0.8293081402136564
Energy: 0.8333841675137372
Energy: 0.8090242572731784
Energy: 0.8290482483293335
Energy: 0.8304314909438492
Energy: 0.8638853099339948
Energy: 0.7952080644512958
Energy: 0.789049119876727
Energy: 0.8249153848492127
Energy: 0.7894510069347954
Energy: 0.7889506234938659
Energy: 0.8830880777850516
Energy: 0.790607672553609
Energy: 0.8198897555008552
Energy: 0.8289975466190088
Energy: 0.7891962785582418
Energy: 0.8346953338601262
Energy: 0.8344641532403985
Energy: 0.8114665593127427
Energy: 0.8271511109223666
Energy: 0.8084441117906932
Energy: 0.8193255597753
Energy: 0.8283700429424911
Energy: 0.8305142016246061
Energy: 0.825723917044471
Energy: 0.8267788036653642
Energy: 0.8098400879242971
Energy: 0.827182034390085
Energy: 0.8213693934566332
Energy: 0.8818294331306429
Energy: 0.8188648016678781
Energy: 0.8295233228853381
Energy: 0.8295469968879043
Energy: 0.8130270477881516
Energy: 0.8328413886207937
Energy: 0.8828514036801527
Energy: 0.8154002692952533
Energy: 0.8163386397488347
Energy: 0.8262403529551903
Energy: 0.8138084702395313
Energy: 0.8264067590500337
Energy: 0.8248070566767344
Energy: 0.8158373249372075
Energy: 0.8223301684427279
Energy: 0.7845526520887381
Energy: 0.8088522226867376
Energy: 0.8213573913805038

minimum gb energy = 0.7802178860219919 eV
minimum distance =  2.52300234771986 Angstroms
sigma value = 33


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

Energy: 0.021411266827803546
Energy: 0.9208193176758874
Energy: 0.022930272559542834
Energy: 0.02506809159121627
Energy: 0.9194188632092689
Energy: 0.02271666154183941
Energy: 0.4372745248212642
Energy: 0.13093481725459635
Energy: 0.12970323910075138
Energy: 0.12935525148722782
Energy: 0.12928549363599925
Energy: 0.12903253070804563
Energy: 1.2339262420039867
Energy: 0.9210204174167866
Energy: 0.9215736999130214
Energy: 0.9184214267000573
Energy: 0.9182873390585314
Energy: 0.9193080791685948
Energy: 0.023155122010604854
Energy: 0.13093481725572786
Energy: 0.12970323910188283
Energy: 0.12935525148722782
Energy: 0.12928549363708883
Energy: 0.12903253070582454

minimum gb energy = 0.021411266827803546 eV
minimum distance =  2.73884365707302 Angstroms
sigma value = 1