Model name: model_name=EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6390298828482632
cohesive_energy=3.422988348542933
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7599750106826597e-19, 2.23091881048062e-19, 2.66312197926846e-19, 3.0329684334610197e-19, 3.34883755685412e-19, 3.61023267469122e-19, 3.8317496161080597e-19, 4.0301952139953e-19, 4.2156792029134794e-19, 4.39155013202766e-19, 4.55681465182476e-19, 4.708476691999199e-19, 4.844020835235599e-19, 4.962998472076439e-19, 5.06741232331422e-19, 5.1601302851238e-19, 5.242321946447999e-19, 5.31304202307276e-19, 5.37084855602748e-19, 5.4153570229199995e-19, 5.44730442500196e-19, 5.46827691714102e-19, 5.48003689363458e-19, 5.48380200872448e-19, 5.479780545373139e-19, 5.46667474050702e-19, 5.44254596039898e-19, 5.405039005397039e-19, 5.3513500663917e-19, 5.27835489894666e-19, 5.18267291036418e-19, 5.06113179090894e-19, 4.91111999266752e-19, 4.73061877308108e-19, 4.51642377888162e-19, 4.26327987070962e-19, 3.9632082089277597e-19, 3.60408031641666e-19, 3.16737503128728e-19, 2.6219780833073395e-19, 1.9127265309682198e-19, 9.43782974553942e-20, -4.7699682312121193e-20, -2.7700031825226e-19, -6.79909289464044e-19, -1.340422628596884e-18, -2.4301174313858397e-18, -4.3311640946922e-18, -7.851418529617979e-18, -1.488641591184858e-17, -3.05474201391708e-17, -7.08064339453326e-17, -1.9755799203200397e-16, -7.38484867203084e-16]
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: 0.013027222885623408
Energy: 0.5500116458004422
Energy: 0.013616524396224157
Energy: 0.013234869548884165
Energy: 0.5500991140697926
Energy: 0.013368802285764161
Energy: 0.5500116457995482
Energy: 0.10657297054463528
Energy: 0.10678608414865828
Energy: 0.10660346037121336
Energy: 0.1066929322861916
Energy: 0.10658838282838778
Energy: 0.013616524395605194
Energy: 0.10678608414838317
Energy: 0.10746964378650031
Energy: 0.01371024331685858
Energy: 0.1066795628488831
Energy: 0.10726285028598483
Energy: 0.013234869548574684
Energy: 0.10660346037031931
Energy: 0.013710243315964528
Energy: 0.013298708501590921
Energy: 0.10651751093992524
Energy: 0.013391778519768388
Energy: 0.5500991140682797
Energy: 0.10669293228557265
Energy: 0.1066795628488831
Energy: 0.10651751094233233
Energy: 0.10663994355768239
Energy: 0.10656770852895905
Energy: 0.013368802285764161
Energy: 0.10658838283048537
Energy: 0.10726285026903219
Energy: 0.013391778519458906
Energy: 0.10656770853136613
Energy: 0.01331773941072006

minimum gb energy = 0.013027222885623408 eV
minimum distance =  2.57070382803935 Angstroms
sigma value = 1


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

Energy: 1.2941826257454114
Energy: 0.8287209951662351
Energy: 0.8883236931018214
Energy: 0.831333036787013
Energy: 0.8282175278088292
Energy: 0.8887012207215577
Energy: 1.2155260499073242
Energy: 0.823395836841635
Energy: 0.8151467617992159
Energy: 0.8095756471083342
Energy: 0.8127568661850781
Energy: 0.8170324161327857
Energy: 1.244250185350125
Energy: 0.8365449612766874
Energy: 0.821307773913425
Energy: 0.8248089408118078
Energy: 0.8327378786414658
Energy: 0.8226663847140224
Energy: 1.2420045717770025
Energy: 0.8361358771155892
Energy: 0.827003377090617
Energy: 0.8276021101741359
Energy: 0.8258920767607179
Energy: 0.8290147576180904
Energy: 1.2164897442178848
Energy: 0.815834349380369
Energy: 0.8147727537309141
Energy: 0.8152236205772593
Energy: 0.8154391849723736
Energy: 0.8144728112754168
Energy: 1.1897443004866963
Energy: 0.8310493027732567
Energy: 0.8286730207451606
Energy: 0.8321746413330688
Energy: 0.8220918977347835
Energy: 0.8283554862981491
Energy: 1.1910119714739293
Energy: 0.8152538926941578
Energy: 0.8248628727601535
Energy: 0.8281135217019293
Energy: 0.8158306366089718
Energy: 0.8249928728650437
Energy: 1.2260123662753732
Energy: 0.8229664964448508
Energy: 0.8227950206296802
Energy: 0.8132555842727434
Energy: 0.822473181513373
Energy: 0.8147580780828021
Energy: 0.9263232033048477
Energy: 0.8248924633776388
Energy: 0.8285652100418234
Energy: 0.8201208242005606
Energy: 0.8226435836112888
Energy: 0.8277351367847783
Energy: 0.9258052986421584
Energy: 0.8171036987802967
Energy: 0.8162083366371237
Energy: 0.8178419942160955
Energy: 0.8151197668878314
Energy: 0.8152965745389091
Energy: 0.9743740340271884
Energy: 0.8052475604664063
Energy: 0.8059456009203666
Energy: 0.8729496997243527
Energy: 0.8052452921350614
Energy: 0.8381499001871233
Energy: 0.8661328334919174
Energy: 0.8146393452889189
Energy: 0.8143313885358023
Energy: 0.8320649831601472
Energy: 0.8228912716268256
Energy: 0.817223290027225
Energy: 0.8653036954007693
Energy: 0.8092201098367721
Energy: 0.814732415947389
Energy: 0.8274628388961986
Energy: 0.8144211119677502
Energy: 0.8145141344602742
Energy: 0.8792134615844605
Energy: 0.8162226714771855
Energy: 0.8155977459938634
Energy: 0.8110859012874391
Energy: 0.8170846253256073
Energy: 0.8401628138533097
Energy: 0.8780994688661334
Energy: 0.8173561884504129
Energy: 0.815600708592229
Energy: 0.8240651944097616
Energy: 0.8085735639376062
Energy: 0.8148532540293557
Energy: 0.878444051237434
Energy: 0.8175260221727386
Energy: 0.8361040822381032
Energy: 0.8497799651842186
Energy: 0.8183907514553496
Energy: 0.8358441984773944
Energy: 1.0935588296568644
Energy: 0.8133644032179509
Energy: 0.8142353908237571
Energy: 0.8231286138811726
Energy: 0.8273241358092036
Energy: 0.8262135725866779
Energy: 1.0398117013518848
Energy: 0.8252848593822101
Energy: 0.825373347573116
Energy: 0.8248012442409443
Energy: 0.8192232791458111
Energy: 0.825287799234986
Energy: 1.0399207275965652
Energy: 0.8259407123283484
Energy: 0.8252164920885621
Energy: 0.8248621566773165
Energy: 0.8248860750352763
Energy: 0.8250213788277543
Energy: 1.2960207103329806
Energy: 0.8258120049951936
Energy: 0.8254007546319285
Energy: 0.824865322856162
Energy: 0.8249475280729887
Energy: 0.824709501784954
Energy: 1.2965671202580198
Energy: 0.8270548597263432
Energy: 0.8053680526816952
Energy: 0.8046856989854277
Energy: 0.8390109696952587
Energy: 0.8046915543313057
Energy: 1.2584127155223062
Energy: 0.8427658668492878
Energy: 0.8252203357711443
Energy: 0.8256297212930473
Energy: 0.8501921227154744
Energy: 0.8221631179297741
Energy: 1.2898691005930958
Energy: 0.8155328785840856
Energy: 0.816065194452945
Energy: 0.8060589678736143
Energy: 0.8174493372908903
Energy: 0.8165776793110899

minimum gb energy = 0.8046856989854277 eV
minimum distance =  2.36580426806783 Angstroms
sigma value = 33


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

Energy: 1.430667918552743
Energy: 0.8518406654635418
Energy: 0.8842794516505874
Energy: 0.8846635763193158
Energy: 0.8536577196306336
Energy: 0.8844928834300922
Energy: 1.1751574795491153
Energy: 0.8592773029709828
Energy: 0.8344377693963219
Energy: 0.840396922404636
Energy: 0.859460695068833
Energy: 0.845075898465242
Energy: 1.1740651935478776
Energy: 0.8441180161881023
Energy: 0.8469562108884181
Energy: 0.8460992383649744
Energy: 0.8591162357753077
Energy: 0.8446908974979447
Energy: 1.2084859914514587
Energy: 0.8592876649554464
Energy: 0.8442699181380994
Energy: 0.845599283053864
Energy: 0.8594572895420479
Energy: 0.8458522570810736
Energy: 1.0865537970776986
Energy: 0.8491554353048686
Energy: 0.8444430499249472
Energy: 0.840055912875014
Energy: 0.8572754288712673
Energy: 0.8396277041241905
Energy: 1.1764703398311906
Energy: 0.85692855548138
Energy: 0.848255079033632
Energy: 0.8496038800987156
Energy: 0.8568551423813972
Energy: 0.8475583512819665
Energy: 1.1768251102246061
Energy: 0.84869004602853
Energy: 0.8484601019858703
Energy: 0.8475406593291724
Energy: 0.8573338874579609
Energy: 0.8474073398865043
Energy: 1.0868576950354787
Energy: 0.8383294799315583
Energy: 0.8407523751624063
Energy: 0.8569714938075297
Energy: 0.8381528395619914
Energy: 0.8398206765462295
Energy: 0.9204454950599171
Energy: 0.8380838527029121
Energy: 0.8496293702099653
Energy: 0.8567530526286244
Energy: 0.8380229569695178
Energy: 0.8474652771328993
Energy: 0.9195796939249199
Energy: 0.8417441544256743
Energy: 0.8406179629246747
Energy: 0.8560667603244935
Energy: 0.8404475352408649
Energy: 0.8409083301565606
Energy: 0.9412458907029427
Energy: 0.8322408366758148
Energy: 0.8320777053761025
Energy: 0.8737840766440694
Energy: 0.8324459295168574
Energy: 0.8322156938949106
Energy: 0.8595683355685393
Energy: 0.8390085891965433
Energy: 0.8441880716641333
Energy: 0.8596042657575224
Energy: 0.839068103253044
Energy: 0.8483458577916104
Energy: 0.8600270286042095
Energy: 0.8402052271261689
Energy: 0.8409394454570902
Energy: 0.8598672853543239
Energy: 0.8403590422524069
Energy: 0.843266044525387
Energy: 0.8480163645011621
Energy: 0.8457183513418125
Energy: 0.8457113302895503
Energy: 0.859400800869903
Energy: 0.845826343127718
Energy: 0.8453814033037642
Energy: 0.9194874775589815
Energy: 0.8413462632523997
Energy: 0.8402234331690331
Energy: 0.8563233416680154
Energy: 0.8402636276251332
Energy: 0.8403826277052477
Energy: 0.9207885922678359
Energy: 0.8474490704792267
Energy: 0.8475063640287027
Energy: 0.8565409369501124
Energy: 0.8496748245731955
Energy: 0.8480190068329201
Energy: 1.1340744996348835
Energy: 0.8473623062349878
Energy: 0.8473517271775278
Energy: 0.8569959563501567
Energy: 0.8474341357096902
Energy: 0.8473329058149301
Energy: 0.984515746332654
Energy: 0.8577283844531366
Energy: 0.8467755143753115
Energy: 0.8379591708167425
Energy: 0.857530120091891
Energy: 0.8387200560031765
Energy: 0.9845035988524894
Energy: 0.8563091112209925
Energy: 0.8575592333099328
Energy: 0.8382258457089997
Energy: 0.856571657450668
Energy: 0.8493025496746077
Energy: 1.0864198472330608
Energy: 0.857292492424556
Energy: 0.8423262663533978
Energy: 0.8402678934250308
Energy: 0.8576950108395868
Energy: 0.8395946884091255
Energy: 1.4318290086474474
Energy: 0.8476770188606981
Energy: 0.8322293129590631
Energy: 0.8325052411976601
Energy: 0.8473454920759087
Energy: 0.832112213000379
Energy: 0.9845300044305145
Energy: 0.8593815579438583
Energy: 0.8477870839516778
Energy: 0.8382441976963033
Energy: 0.8592454692881217
Energy: 0.8473310932118042
Energy: 1.1740169853442235
Energy: 0.8440391271181236
Energy: 0.8480749253657084
Energy: 0.8401785690510462
Energy: 0.8600910210139988
Energy: 0.8448493324946391
Energy: 1.2065580458971499
Energy: 0.8514234312774325
Energy: 0.8518307197025424
Energy: 0.8460847644440016
Energy: 0.9485718702922664
Energy: 0.8733063442615191
Energy: 1.1741507749114153
Energy: 0.83696219363257
Energy: 0.8408617586907643
Energy: 0.8403718785394899
Energy: 0.8603472974981536
Energy: 0.8408155668091924
Energy: 1.1739893992680848
Energy: 0.8555952264783214
Energy: 0.8483339129226597
Energy: 0.8480696598152827
Energy: 0.8556593566196868
Energy: 0.847532257824939
Energy: 1.1738292540803617
Energy: 0.8480106858593974
Energy: 0.8474946408073999
Energy: 0.8472237356875744
Energy: 0.8569718582124839
Energy: 0.8474138567416821
Energy: 1.0863910137376844
Energy: 0.8381041123375679
Energy: 0.8390869011158814
Energy: 0.8568291550581143
Energy: 0.8384379138455027
Energy: 0.8496252609603968
Energy: 0.9206593814449217
Energy: 0.8382260922642272
Energy: 0.8391805773117283
Energy: 0.8571721077806844
Energy: 0.8383756083472821
Energy: 0.8473225016970841
Energy: 0.9208391739230285
Energy: 0.8406408544220247
Energy: 0.8393546121273361
Energy: 0.8574372153353287
Energy: 0.8403698135946975
Energy: 0.8433987848771993
Energy: 0.9206367392338077
Energy: 0.8323390100026017
Energy: 0.8325036604333956
Energy: 0.8441780101499011
Energy: 0.8327165955010597
Energy: 0.8324779115405744
Energy: 0.8594019912953627
Energy: 0.8447174445942935
Energy: 0.82664237358969
Energy: 0.8593245447587271
Energy: 0.8400534373092596
Energy: 0.8473048638418823
Energy: 0.8615699840359399
Energy: 0.8415205426515869
Energy: 0.8407821614847139
Energy: 0.8604240642704332
Energy: 0.8401344478557898
Energy: 0.8440562498268995
Energy: 0.8596840632567212
Energy: 0.8457026094945991
Energy: 0.8456120486190154
Energy: 0.8597704127192517
Energy: 0.845704660574373
Energy: 0.8456111037183136
Energy: 0.9190295772150151
Energy: 0.8408849049769673
Energy: 0.8404490152626
Energy: 0.8452171979588662
Energy: 0.8420890909879809
Energy: 0.8410158715554163
Energy: 0.9188096448007042
Energy: 0.8493736673123925
Energy: 0.8477631328910324
Energy: 0.8580400063062249
Energy: 0.8494519072582201
Energy: 0.8473809807738321
Energy: 0.9190319032098678
Energy: 0.8473641663530042
Energy: 0.847561273597715
Energy: 0.8570426774633956
Energy: 0.8475744502572494
Energy: 0.8480281188654044
Energy: 0.9844591056607177
Energy: 0.8628588838903856
Energy: 0.8489088798346057
Energy: 0.838167683360528
Energy: 0.8556814164388676
Energy: 0.85012572509151
Energy: 0.9843753480379753
Energy: 0.8564958432976928
Energy: 0.856030606497648
Energy: 0.8382491205266284
Energy: 0.8562797975009808
Energy: 0.8393177263664303
Energy: 1.0860398142937608
Energy: 0.856018536321269
Energy: 0.8434079417681423
Energy: 0.8404454533552851
Energy: 0.856415500260053
Energy: 0.8398240253687207
Energy: 0.9841404995949532
Energy: 0.8472531466406406
Energy: 0.8325906667966927
Energy: 0.834181382394641
Energy: 0.8512241090588613
Energy: 0.8324845044721118

minimum gb energy = 0.82664237358969 eV
minimum distance =  2.35818524227555 Angstroms
sigma value = 51


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

Energy: 1.3427662967499125
Energy: 0.9689336121532233
Energy: 0.9696175086673862
Energy: 0.8979347293272665
Energy: 0.9692512460058761
Energy: 0.8975751158087074
Energy: 1.010519922725797
Energy: 0.8812531383269963
Energy: 0.8850084317936775
Energy: 0.8254934248841633
Energy: 0.8812589156387475
Energy: 0.8558411202285156
Energy: 1.2180328916834275
Energy: 0.8602251491224655
Energy: 0.8760632857851044
Energy: 0.8671826840188651
Energy: 0.8813803967316326
Energy: 0.8666803791656487
Energy: 1.2148686797616317
Energy: 0.8591730512894403
Energy: 0.8673553725446108
Energy: 0.8658076682157756
Energy: 0.8813855466470433
Energy: 0.8654462942636335
Energy: 1.0106559922706835
Energy: 0.8833497399562347
Energy: 0.8836965624694445
Energy: 0.8452576745010583
Energy: 0.8831865125525913
Energy: 0.8455443746626984
Energy: 1.0113249631135557
Energy: 0.8806481758045496
Energy: 0.883558820242122
Energy: 0.8797881561053641
Energy: 0.8800218383679755
Energy: 0.8827286480938653
Energy: 1.0115903000762547
Energy: 0.8449257494630176
Energy: 0.8450815531379835
Energy: 0.8796238926196142
Energy: 0.8458736076778379
Energy: 0.8813622511579053
Energy: 1.0098455072091526
Energy: 0.8482078662114867
Energy: 0.8479628617913916
Energy: 0.881217946197677
Energy: 0.8484943631921499
Energy: 0.8480136751752057
Energy: 0.8819722404055522
Energy: 0.8481591477186387
Energy: 0.8478650610024008
Energy: 0.8812793204450722
Energy: 0.848096637008193
Energy: 0.8831473810128473
Energy: 0.8813935584518703
Energy: 0.8497000828691509
Energy: 0.8648604839864903
Energy: 0.8810013380495191
Energy: 0.8499121677318309
Energy: 0.880577828241064
Energy: 0.9082452054030292
Energy: 0.8598805239978242
Energy: 0.8615527088765242
Energy: 0.9079458407313894
Energy: 0.8601125786263013
Energy: 0.8643518929126103
Energy: 0.9039826967415538
Energy: 0.8621160802809686
Energy: 0.8621891759998306
Energy: 0.8580563988403546
Energy: 0.8789769648361035
Energy: 0.8796160613258645
Energy: 0.9036398270193543
Energy: 0.8668377314613823
Energy: 0.8665959478999264
Energy: 0.8762205522344648
Energy: 0.8725522635687112
Energy: 0.878655709316436
Energy: 0.9041559646390487
Energy: 0.867378377896504
Energy: 0.8673837558462543
Energy: 0.8891025280748843
Energy: 0.8674832340320217
Energy: 0.8671757064217612
Energy: 1.0829700073766484
Energy: 0.8789270528145992
Energy: 0.8597466402090118
Energy: 0.8743564022792106
Energy: 0.8777848580076482
Energy: 0.859011118554174
Energy: 1.0829191359987391
Energy: 0.8772055925920611
Energy: 0.8770444500481616
Energy: 0.8751114760907887
Energy: 0.8754020569617923
Energy: 0.8750192523726702
Energy: 1.011434509824983
Energy: 0.878480553322234
Energy: 0.8776710373076549
Energy: 0.8457720508274933
Energy: 0.8779644305158446
Energy: 0.8562734539238933
Energy: 1.3436095637814367
Energy: 0.8614964386515117
Energy: 0.8342204723704895
Energy: 0.8482157435739124
Energy: 0.881442805608735
Energy: 0.8524630734875819

minimum gb energy = 0.8254934248841633 eV
minimum distance =  2.35415148570695 Angstroms
sigma value = 19


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

Energy: 1.1248542894122087
Energy: 0.8104906002793862
Energy: 0.8330589058773475
Energy: 0.9435104552070532
Energy: 0.8095021532042492
Energy: 0.8330511580087363
Energy: 0.9635938254359955
Energy: 0.809885738977433
Energy: 0.8100469013161669
Energy: 0.8379211320124627
Energy: 0.8100417370029334
Energy: 0.8101987158420891
Energy: 0.9611794394599673
Energy: 0.8099145971928122
Energy: 0.810020374009888
Energy: 0.8376383251156676
Energy: 0.8098867049434136
Energy: 0.8100246661684809
Energy: 0.9564818865519139
Energy: 0.8097181643450378
Energy: 0.8097958685085908
Energy: 0.8355444121226688
Energy: 0.8098580225975649
Energy: 0.8100269984431874
Energy: 0.9604086543593697
Energy: 0.809802452502778
Energy: 0.8373508505168042
Energy: 0.8382151595550925
Energy: 0.8096966027222972
Energy: 0.8378452631032376
Energy: 0.9610860716463578
Energy: 0.7858371770666672
Energy: 0.8371657805820493
Energy: 0.8380502230512072
Energy: 0.7855537009879775
Energy: 0.8373148097923466
Energy: 0.9607261952499044
Energy: 0.8377972620045163
Energy: 0.8375588920865533
Energy: 0.8382047537583889
Energy: 0.7942126556928656
Energy: 0.8376710396323718
Energy: 0.9182754552331267
Energy: 0.786194478553079
Energy: 0.7861529489581346
Energy: 0.8098172956788533
Energy: 0.7865164095645246
Energy: 0.7860929577863052
Energy: 0.8100363601891843
Energy: 0.7860820019584814
Energy: 0.7858632676931484
Energy: 0.8099085540936651
Energy: 0.7861839725349001
Energy: 0.786041894645334
Energy: 0.8096410381097615
Energy: 0.8104641615350868
Energy: 0.8101261674924999
Energy: 0.809765653177028
Energy: 0.8382025575485545
Energy: 0.8100958090834525
Energy: 0.8099838855888234
Energy: 0.8352322628487427
Energy: 0.8356606048027148
Energy: 0.8100040607580491
Energy: 0.8351134697155012
Energy: 0.8101075660432243
Energy: 0.9620933492652711
Energy: 0.8377534710812952
Energy: 0.837633557915679
Energy: 0.8098666029727605
Energy: 0.838412021800605
Energy: 0.8097604362715839
Energy: 0.7862206802356724
Energy: 0.8373972633366452
Energy: 0.8390717898632117
Energy: 0.7857616512325314
Energy: 0.8379929817118744
Energy: 0.8377045036696126
Energy: 0.9639672646213604
Energy: 0.8381070723124798
Energy: 0.8384024079974135
Energy: 0.8102667771917437
Energy: 0.838511127002183
Energy: 0.8381204379578243
Energy: 1.1272782022110306
Energy: 0.8099289189014608
Energy: 0.8099309616555318
Energy: 0.7861526693384547
Energy: 0.8099161588120762
Energy: 0.7857982580057442
Energy: 1.1268230661704828
Energy: 0.8098969610348806
Energy: 0.7860888362624145
Energy: 0.7862880005745161
Energy: 0.8099629066786532
Energy: 0.7863331163340865
Energy: 0.960672747593576
Energy: 0.8096681364272118
Energy: 0.8098709866539153
Energy: 0.8382562684809389
Energy: 0.80974490899145
Energy: 0.8100954210178217
Energy: 0.9553302111942117
Energy: 0.8098350069767052
Energy: 0.8099298053128935
Energy: 0.8349563575438235
Energy: 0.8098497150908369
Energy: 0.8100075989732978
Energy: 0.9553926797037599
Energy: 0.8099370314894198
Energy: 0.81000181916826
Energy: 0.8352302565696906
Energy: 0.8099387172364337
Energy: 0.8100156848445689
Energy: 0.9624619815315961
Energy: 0.7857205637483619
Energy: 0.8380237407407378
Energy: 0.8382556069420076
Energy: 0.7854385543383956
Energy: 0.8369686236712859
Energy: 0.9595483434192302
Energy: 0.8375272749090034
Energy: 0.8373143570599726
Energy: 0.8394706584592304
Energy: 0.8098454464409525
Energy: 0.8384279177949922
Energy: 0.9620641875599909
Energy: 0.837916775882146
Energy: 0.8377990808395404
Energy: 0.8384349257163132
Energy: 0.8378451867438307
Energy: 0.8377757379784977
Energy: 0.9193615830760152
Energy: 0.7861844045084135
Energy: 0.7866857844454955
Energy: 0.8382997591839155
Energy: 0.7858637519847135
Energy: 0.7871504634621094
Energy: 0.8100080669194921
Energy: 0.8107162255400105
Energy: 0.8102056931187085
Energy: 0.8100504428354314
Energy: 0.8247890079010096
Energy: 0.8101137803900067
Energy: 0.8099696258034761
Energy: 0.8103863410933791
Energy: 0.8100453529915047
Energy: 0.8098619119051647
Energy: 0.8387943704914218
Energy: 0.8100720478473578
Energy: 0.9189877409721298
Energy: 0.834769971958829
Energy: 0.8347794970678982
Energy: 0.8096644318510635
Energy: 0.8352501050127451
Energy: 0.8098158646865223
Energy: 0.9620018211416355
Energy: 0.8377695359076386
Energy: 0.8374095728078584
Energy: 0.8097093034269378
Energy: 0.8382622188386194
Energy: 0.837535060597301
Energy: 0.7861899396949182
Energy: 0.8384145350591746
Energy: 0.8379285455969108
Energy: 0.7856328050911379
Energy: 0.8381826018528563
Energy: 0.8366428414070941
Energy: 0.9189701546187337
Energy: 0.8382488621110494
Energy: 0.8382069421191574
Energy: 0.7943608923945009
Energy: 0.838250317279208
Energy: 0.8368434105548304
Energy: 1.1269995530087034
Energy: 0.8097937294954175
Energy: 0.7858718930921065
Energy: 0.7865467349137206
Energy: 0.8098150586678381
Energy: 0.7859811502280918

minimum gb energy = 0.7854385543383956 eV
minimum distance =  2.40537337925415 Angstroms
sigma value = 27


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

Energy: 0.963198522650416
Energy: 1.1025672323201567
Energy: 0.7750604259100126
Energy: 0.8442116796183117
Energy: 1.102255811372234
Energy: 0.95728967003067
Energy: 0.9637601979143634
Energy: 0.8218003541236492
Energy: 0.8220897127289923
Energy: 0.7918378775743354
Energy: 0.821629713330705
Energy: 0.783601499619023
Energy: 0.872247299520209
Energy: 0.8222561811770918
Energy: 0.8220536669166062
Energy: 0.7973605854728302
Energy: 0.8222185568661744
Energy: 0.7839590041088724
Energy: 0.8730139854985909
Energy: 0.8222161186000656
Energy: 0.7849541233676186
Energy: 0.7883635555606049
Energy: 0.8218378572373408
Energy: 0.7836193759528316
Energy: 0.9627640042220882
Energy: 0.774796517579271
Energy: 0.7845317516238929
Energy: 0.8222549851399519
Energy: 0.7755432716301812
Energy: 0.7840739276719038
Energy: 0.8239678152128955
Energy: 0.7754718785079219
Energy: 0.7752384355038541
Energy: 0.822693771460398
Energy: 0.77550946888504
Energy: 0.7745352394767793
Energy: 0.8239967754751634
Energy: 0.7853977109468047
Energy: 0.785483600829167
Energy: 0.8218110898067655
Energy: 0.788649906563665
Energy: 0.784560260359379
Energy: 0.870466404737793
Energy: 0.7816154204394741
Energy: 0.7820740334254432
Energy: 0.8704152057040399
Energy: 0.7831169848599735
Energy: 0.781567479659556
Energy: 0.8727908916340101
Energy: 0.7810788695874747
Energy: 0.7873859089233716
Energy: 0.8217376955226879
Energy: 0.7814560966757722
Energy: 0.7833322203255292
Energy: 0.8735195380540195
Energy: 0.8096950282938005
Energy: 0.8090052151357686
Energy: 0.8210567063537831
Energy: 0.8121774979432825
Energy: 0.8102733954868363
Energy: 0.8727674556305106
Energy: 0.8176622458729352
Energy: 0.8186153857946079
Energy: 0.8239784462129884
Energy: 0.8173876443208792
Energy: 0.8133879633974057
Energy: 0.8726576532940279
Energy: 0.8237705674617052
Energy: 0.7833949456975771
Energy: 0.7923212214494241
Energy: 0.8219937867639
Energy: 0.7841037914695944

minimum gb energy = 0.7745352394767793 eV
minimum distance =  2.38621567493177 Angstroms
sigma value = 9


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

Energy: 1.4726947475002166
Energy: 1.011004922641858
Energy: 0.8105833198013448
Energy: 1.1634419456219844
Energy: 1.008738183798221
Energy: 0.7357031845639008
Energy: 0.7459732850538852
Energy: 0.7208083927234298
Energy: 0.7215908772989013
Energy: 0.7130151846730782
Energy: 0.720840812761703
Energy: 0.7112975893758844
Energy: 0.746749674248192
Energy: 0.7222908577802182
Energy: 0.7213682196438808
Energy: 0.7353308733276793
Energy: 0.7221328991117474
Energy: 0.730619745152523
Energy: 0.7465461632586942
Energy: 0.6919248168382552
Energy: 0.6936533048498854
Energy: 0.7198022084571025
Energy: 0.6937160783277313
Energy: 0.7333252654731625
Energy: 1.003771718167835
Energy: 0.7028574183028596
Energy: 0.6899868009299293
Energy: 0.7409304711619255
Energy: 0.7134859900087761
Energy: 0.7344601567111948
Energy: 0.7415256972397353
Energy: 0.7220135310838024
Energy: 0.7573083356805137
Energy: 0.7407278006929756
Energy: 0.716586073957584
Energy: 0.7159414071047826
Energy: 0.7408715205960489
Energy: 0.6951086597150266
Energy: 0.694827734971644
Energy: 0.741768428220485
Energy: 0.6949366990385474
Energy: 0.7408929626623668
Energy: 0.7561483803228867
Energy: 0.7241422241255848
Energy: 0.736447288557157
Energy: 0.7564374221379842
Energy: 0.7203456200454449
Energy: 0.7193060621769287
Energy: 1.0121776644791696
Energy: 0.7279755891805294
Energy: 0.7366470658339609
Energy: 0.7285685801806652
Energy: 0.7277003910888155
Energy: 0.7344667592769817
Energy: 0.6924217258563666
Energy: 0.7173531267516533
Energy: 0.7596755989259937
Energy: 0.7123181438123186
Energy: 0.7174242991498856
Energy: 0.7569920054850956
Energy: 0.6923974584328432
Energy: 0.7407504042776102
Energy: 0.7408782712271891
Energy: 0.7256572074674154
Energy: 0.7407102471729173
Energy: 0.7592253791436767
Energy: 0.8741068686852914
Energy: 0.7410724665436101
Energy: 0.7406665759796512
Energy: 0.7088359931631686
Energy: 0.7413291958577318
Energy: 0.7349779441608436
Energy: 1.2953525488351993
Energy: 0.8322824550277909
Energy: 0.9049690821545421
Energy: 0.7178989088343498
Energy: 0.8393386787042255
Energy: 0.7176329852045356
Energy: 0.8737270533330269
Energy: 0.7406107546009745
Energy: 0.734538286229289
Energy: 0.708552543639879
Energy: 0.7410098007212269
Energy: 0.734856005600195
Energy: 0.7227884864651258
Energy: 0.7195352422949984
Energy: 0.7222361420792911
Energy: 0.7220468853115549
Energy: 0.7188124151256046
Energy: 0.7263642783267821
Energy: 0.7218999016947945
Energy: 0.7212678426091853
Energy: 0.7299555853341647
Energy: 0.7214073315517905
Energy: 0.734551607732825
Energy: 0.732678236996963
Energy: 0.7214767582862369
Energy: 0.6937560048461175
Energy: 0.6941216825742371
Energy: 0.7208048155069593
Energy: 0.7074800267158137
Energy: 0.7250063958782708
Energy: 0.7472697371989966
Energy: 0.691728673669806
Energy: 0.732371668339971
Energy: 0.721600469992271
Energy: 0.7190537074301587
Energy: 0.7198698487964618
Energy: 0.7470433601329937
Energy: 0.715358281026842
Energy: 0.7230748301552881
Energy: 0.7213691807518261
Energy: 0.7128874992041478
Energy: 0.7212042308823844
Energy: 0.7465470424006949
Energy: 0.7082712375912014
Energy: 0.7190979251977015
Energy: 0.7084705923151324
Energy: 0.7083457426229733
Energy: 0.7187729935710411
Energy: 0.746727978182525
Energy: 0.7135240738980977
Energy: 0.7183885561628606
Energy: 0.7220486024240955
Energy: 0.72253803362101
Energy: 0.7200090249511414
Energy: 0.8066818925188158
Energy: 0.7217967176990325
Energy: 0.7440345273056356
Energy: 0.71403430727648
Energy: 0.7214476501113108
Energy: 0.7572379934764332
Energy: 0.8027270973170844
Energy: 0.7212126182237789
Energy: 0.723965770244138
Energy: 0.7138361687150958
Energy: 0.7209342508763164
Energy: 0.6964165618733583
Energy: 0.7460499861592896
Energy: 0.722308612936207
Energy: 0.7224201186487288
Energy: 0.734528027704925
Energy: 0.7218936279266662
Energy: 0.7324071692444571
Energy: 0.9573542228088363
Energy: 0.6916149083741857
Energy: 0.7268268552199292
Energy: 0.7275056370872913
Energy: 0.7212841093822553
Energy: 0.7273440835013198
Energy: 0.7461857928332043
Energy: 0.6949509044576248
Energy: 0.6952288719498525
Energy: 0.7411651218391173
Energy: 0.7086804859433956
Energy: 0.7343611390130943
Energy: 0.6932263149366814
Energy: 0.7470716351867825
Energy: 0.7034770916593497
Energy: 0.6932273429180672
Energy: 0.7194509136153903
Energy: 0.687695283717482
Energy: 0.741144241430143
Energy: 0.6948203818145272
Energy: 0.6953005837965563
Energy: 0.7412959519671335
Energy: 0.7089277791993779
Energy: 0.753797835087699
Energy: 0.7407848384052711
Energy: 0.7353498031950633
Energy: 0.7347469669168394
Energy: 0.7408820950393714
Energy: 0.7202723648332018
Energy: 0.7554218813640885
Energy: 0.7545181457598298
Energy: 0.7242691211004892
Energy: 0.73395902375115
Energy: 0.7949270059774495
Energy: 0.7203162156796908
Energy: 0.693212474068612
Energy: 0.6923900454778446
Energy: 0.7181197684590325
Energy: 0.760492774562238
Energy: 0.7245377683437337
Energy: 0.7181958152331112
Energy: 0.7604976445295334
Energy: 0.6965616000236948
Energy: 0.740742468331611
Energy: 0.753446739149797
Energy: 0.712928627812267
Energy: 0.7405676073314236
Energy: 0.7571057002606221
Energy: 0.8727952318190251
Energy: 0.7413111187721342
Energy: 0.7408013325210244
Energy: 0.7200585528963404
Energy: 0.7418793019075122
Energy: 0.7339454590768726
Energy: 0.7524623415148367
Energy: 0.7409180118737926
Energy: 0.7408266913182906
Energy: 0.7214076872495142
Energy: 0.7406859563221775
Energy: 0.7595929880347599
Energy: 0.7488473723590071
Energy: 0.7405824595823964
Energy: 0.7331672921336182
Energy: 0.72018929246077
Energy: 0.7409955780042221
Energy: 0.7335005252773039
Energy: 0.7575126670269338
Energy: 0.7312767889137343
Energy: 0.6937308406586682
Energy: 0.7399925481639231
Energy: 0.7206134200936816
Energy: 0.6915793209723748
Energy: 0.7227341743285032
Energy: 0.7539828124745439
Energy: 0.7309859428032089
Energy: 0.7221116798361455
Energy: 0.7309422695411221
Energy: 0.7318915490712097
Energy: 0.7218587190068911
Energy: 0.7117163296267118
Energy: 0.7117627065885247
Energy: 0.72105374797835
Energy: 0.7114997344756625
Energy: 0.7257021760388617
Energy: 0.9471839723648597
Energy: 0.7193681364362866
Energy: 0.7035219736783055
Energy: 0.9471476032973197
Energy: 0.7302719830477766
Energy: 0.8117885573866744
Energy: 0.7463075745467046
Energy: 0.7120019486634899
Energy: 0.7120768611540276
Energy: 0.7211032797467759
Energy: 0.7113912825174438
Energy: 0.7203050267469531
Energy: 0.744492719073441
Energy: 0.7313330722055701
Energy: 0.7088855610687714
Energy: 0.7063935360232299
Energy: 0.7131143059991121
Energy: 0.7096607979095096
Energy: 0.7470560106053903
Energy: 0.7081790055613117
Energy: 0.7192817742427898
Energy: 0.737150433677361
Energy: 0.7085433949951452
Energy: 0.7152757643181193
Energy: 0.8025398713825654
Energy: 0.7212927028177587
Energy: 0.7237595517525657
Energy: 0.7137910149248543
Energy: 0.7209312771973504
Energy: 0.6960782438640285

minimum gb energy = 0.687695283717482 eV
minimum distance =  2.38813774763177 Angstroms
sigma value = 57


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

Energy: 0.3689768638861348
Energy: 0.4107181706129372
Energy: 0.4180194801222552
Energy: 0.371799101150807
Energy: 0.41088503332080195
Energy: 0.4122820563260581
Energy: 0.44808451357055895
Energy: 0.39091698994578883
Energy: 0.4226492580279038
Energy: 0.4112359116350866
Energy: 0.3886493224574423
Energy: 0.4198466676079335
Energy: 0.4510445157418313
Energy: 0.40849250498169276
Energy: 0.4228723686943647
Energy: 0.4292558262192669
Energy: 0.41184722445940525
Energy: 0.4214465934300764
Energy: 0.45101911940587036
Energy: 0.41001444468563497
Energy: 0.424687925292588
Energy: 0.38927152467441584
Energy: 0.412040959822906
Energy: 0.42139914326933836
Energy: 0.4473971820572609
Energy: 0.40503087614209543
Energy: 0.4156739544031788
Energy: 0.41188095314864465
Energy: 0.3705574087047425
Energy: 0.42104574843567033
Energy: 0.41141604723495656
Energy: 0.37123084141544543
Energy: 0.3732104970883655
Energy: 0.3883315685685204
Energy: 0.3700166506408566
Energy: 0.4156979988505018
Energy: 0.40698673372212674
Energy: 0.3962517040206926
Energy: 0.4236929478157001
Energy: 0.4086863006569446
Energy: 0.387951848073679
Energy: 0.4203317613508859
Energy: 0.41133311779650883
Energy: 0.420000215411724
Energy: 0.4239897613440977
Energy: 0.4113204659414404
Energy: 0.38880747727914483
Energy: 0.42213739091162794
Energy: 0.44713312637056296
Energy: 0.3845525371565316
Energy: 0.4215512072670299
Energy: 0.4112225997460193
Energy: 0.41658553268184695
Energy: 0.4236968171439415
Energy: 0.3699266336407404
Energy: 0.4215848917344947
Energy: 0.3727015011792124
Energy: 0.3699241455923954
Energy: 0.42840447408585863
Energy: 0.41628986284026437
Energy: 0.3699545702038267
Energy: 0.4096552617540207
Energy: 0.41819757151763887
Energy: 0.37013306996655676
Energy: 0.3876668218838522
Energy: 0.3732142696148114
Energy: 0.44986562598090396
Energy: 0.42341123815760917
Energy: 0.41976439915194685
Energy: 0.38852718307636486
Energy: 0.4110900986520014
Energy: 0.4196265303137441
Energy: 0.4508417281444096
Energy: 0.38749813511138315
Energy: 0.4282001060957816
Energy: 0.3890781862642412
Energy: 0.4512957541974268
Energy: 0.42536171333492323
Energy: 0.448274031719553
Energy: 0.4245467119814561
Energy: 0.4205814309594364
Energy: 0.4151479989949782
Energy: 0.4125228918403385
Energy: 0.42032681659790927
Energy: 0.45096706154048727
Energy: 0.37035478870857086
Energy: 0.4097767363065333
Energy: 0.3897391548931398
Energy: 0.3702889256102757
Energy: 0.37142306647446127
Energy: 0.4096292374536986
Energy: 0.38509581068823945
Energy: 0.41960811746829607
Energy: 0.38886350064800723
Energy: 0.37082206246020355
Energy: 0.4214549303487057
Energy: 0.4110438204724878
Energy: 0.4162916903515151
Energy: 0.41937923901723917
Energy: 0.4111759887141763
Energy: 0.38812236812804735
Energy: 0.4234499025804341
Energy: 0.45055801060827005
Energy: 0.4210987164483335
Energy: 0.4221765100405066
Energy: 0.45138072521601913
Energy: 0.3892207335418891
Energy: 0.4222512890896394
Energy: 0.3700035611290802
Energy: 0.40905907891083976
Energy: 0.4230867987747425
Energy: 0.37019303994090125
Energy: 0.3885202208285043
Energy: 0.42128051107875103

minimum gb energy = 0.3689768638861348 eV
minimum distance =  2.44683002422134 Angstroms
sigma value = 11


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

Energy: 1.2351062954098855
Energy: 1.0297169968088988
Energy: 0.7083400592587051
Energy: 0.9765929510373145
Energy: 1.0500126871547395
Energy: 0.7071117158199721
Energy: 0.5889214709693297
Energy: 0.6108900363693506
Energy: 0.6060369557160934
Energy: 0.5977272398198417
Energy: 0.6043657331722906
Energy: 0.5956019597274165
Energy: 0.5896270185753554
Energy: 0.5975564222902825
Energy: 0.6051354918759582
Energy: 0.5913692734374878
Energy: 0.6016246488913837
Energy: 0.5963259587458275
Energy: 0.5894828741005672
Energy: 0.6130756493579821
Energy: 0.5956311622287478
Energy: 0.5907120925107524
Energy: 0.6042420764384991
Energy: 0.6085977289483436
Energy: 0.5893125519802008
Energy: 0.6881963144325696
Energy: 0.6532833754918778
Energy: 0.6048933261796031
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Energy: 0.6588170724872744
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Energy: 0.8194907905890325
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Energy: 0.8743438480346255
Energy: 0.6499911495621774
Energy: 0.894172731475818
Energy: 0.6498538339264591
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Energy: 0.6894202244324148
Energy: 0.6400164306142039
Energy: 0.6899000520861577
Energy: 0.6889879361894216
Energy: 0.8606600885902864
Energy: 0.6461749017713928
Energy: 0.5882983542374884
Energy: 0.7712535148764263
Energy: 0.649766390417241
Energy: 0.5763688223639448
Energy: 1.080345517257867
Energy: 0.6376966997439173
Energy: 0.6892134134918377
Energy: 0.6231252676995981
Energy: 0.6453839996538469
Energy: 0.6898587252413226
Energy: 0.971300180970467
Energy: 0.6009280980150846
Energy: 0.6583582909873142
Energy: 0.607454114199616
Energy: 0.60499731552346
Energy: 0.6581972877775194
Energy: 0.7313783669518421
Energy: 0.6715911749037551
Energy: 0.6715478454589457
Energy: 0.7169182873112314
Energy: 0.6831645706970655
Energy: 0.6649862055833491
Energy: 1.0155566245898806
Energy: 0.692849527928207
Energy: 0.6372487959722759
Energy: 0.6489523333573969
Energy: 0.6939053492527378
Energy: 0.638608918031335
Energy: 0.9839664796591012
Energy: 0.7871581626133035
Energy: 0.7879745233451872
Energy: 0.9393202210420191
Energy: 0.7762721656717252
Energy: 0.6873949694758476
Energy: 0.6723436307994619
Energy: 0.6594551521113231
Energy: 0.6552875094543823
Energy: 0.6390843301710087
Energy: 0.6539297455621049
Energy: 0.6370885424381014
Energy: 0.6651771998293794
Energy: 0.5992014134786366
Energy: 0.6239522908017495
Energy: 0.6660656702473535
Energy: 0.5982403549930457
Energy: 0.6653325236382497
Energy: 0.6707548751798608
Energy: 0.6008475880663549
Energy: 0.6222336855309043
Energy: 0.6804960812069494
Energy: 0.5915867222180888
Energy: 0.6008862454833515
Energy: 0.9895899040403809
Energy: 0.6006140283491892
Energy: 0.5986184191315458
Energy: 0.573595420134168
Energy: 0.6098845885370426
Energy: 0.6936808115493669

minimum gb energy = 0.573595420134168 eV
minimum distance =  2.37187793708531 Angstroms
sigma value = 41


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

Energy: 1.1867055562422097
Energy: 0.810717262334881
Energy: 0.6701641232572326
Energy: 0.9209293981943706
Energy: 0.8099064606357951
Energy: 0.920092258697163
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Energy: 0.6633374946675189
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Energy: 0.9102368176486665
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Energy: 0.6365252517838539
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Energy: 0.6492495964166753
Energy: 0.6367741738409329
Energy: 0.662107955891498
Energy: 0.6461051484900979
Energy: 0.6556662728040846
Energy: 0.7639280899644592
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Energy: 0.6664673473957732
Energy: 0.762879434990961
Energy: 0.628413858383138
Energy: 0.9092730344531961
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Energy: 0.6449483037541467
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Energy: 0.644403735599504
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Energy: 0.999813551604678
Energy: 0.7696547193437997
Energy: 0.7703187694733682
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Energy: 0.7698296649096432
Energy: 0.7698225865686894
Energy: 0.9094148009258495
Energy: 0.649215531566846
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Energy: 0.6502546586687328
Energy: 0.6503335451498855
Energy: 0.6445040357130958
Energy: 0.6555298876820645
Energy: 0.7514533531134417
Energy: 0.7516356245593802
Energy: 0.6673081530079896
Energy: 0.7628445618370473
Energy: 0.6132955867350092
Energy: 0.8639894893447245
Energy: 0.65040126982214
Energy: 0.6490924250648453
Energy: 0.6516660314364241
Energy: 0.6507848514887872
Energy: 0.6464861497828807
Energy: 0.8590019725528352
Energy: 0.6484460213441462
Energy: 0.643002360109128
Energy: 0.635005433472606
Energy: 0.7669701401751984
Energy: 0.6443636811231838
Energy: 0.8589786191545079
Energy: 0.7526641886232996
Energy: 0.6497295443029412
Energy: 0.8218256359373591
Energy: 0.766661706637438
Energy: 0.6476691516213434
Energy: 0.9094933851546005
Energy: 0.6148930053050459
Energy: 0.6441253924721796
Energy: 0.6615103233324575
Energy: 0.6283597121797051
Energy: 0.6476465192363455
Energy: 0.7550644464144366
Energy: 0.8863549824265264
Energy: 0.8865341529463059
Energy: 0.7664150827936723
Energy: 0.9025708243405652
Energy: 0.8861885661044816
Energy: 0.7398535841846647
Energy: 0.6451443454184886
Energy: 0.6506376514321246
Energy: 0.6468700391731144
Energy: 0.6506816005085169
Energy: 0.6472684882439723
Energy: 0.7552489105081065
Energy: 0.6503508975560257
Energy: 0.6513359377733563
Energy: 0.755617481877685
Energy: 0.6452242774955382
Energy: 0.7551394491768063
Energy: 0.7673139938430541
Energy: 0.6490825678934721
Energy: 0.6496110105658142
Energy: 0.6632429237476785
Energy: 0.6383748313148487
Energy: 0.6476771665585909
Energy: 1.061831334539193
Energy: 0.6500420007740224
Energy: 0.6140777604253755
Energy: 0.9174661641961167
Energy: 0.6542168687989719
Energy: 0.6136998290408852

minimum gb energy = 0.6127880179781376 eV
minimum distance =  2.40091395211336 Angstroms
sigma value = 33


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

Energy: 0.7605701367369938
Energy: 0.7625657540836434
Energy: 0.715947336225231
Energy: 0.6761766806279431
Energy: 0.7626672318108447
Energy: 0.6818748954850349
Energy: 0.6873586899430909
Energy: 0.6798631403676836
Energy: 0.6798724623119551
Energy: 0.6968573678410401
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Energy: 0.6811254791221595
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Energy: 0.6824288649514042
Energy: 0.6844073649756212
Energy: 0.6905213917662802
Energy: 0.6824790101937048
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Energy: 0.6822176977496986
Energy: 0.6593440492620692
Energy: 0.7081102485205423
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Energy: 0.6586664315547844
Energy: 0.9039804446019867
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Energy: 0.6788058056840673
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Energy: 0.8733054262867739
Energy: 0.6806078506717105
Energy: 0.7171434538295463
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Energy: 0.6836346086765093
Energy: 1.285545608149039
Energy: 0.7018845978406323
Energy: 0.6573110382069843
Energy: 0.6597478543195001
Energy: 0.7186609626451564
Energy: 0.6576324712119613

minimum gb energy = 0.6571834897670579 eV
minimum distance =  2.41156599332045 Angstroms
sigma value = 67


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

Energy: 1.0096971219751947
Energy: 0.7517499295995653
Energy: 0.7307063360170531
Energy: 0.7304200107314784
Energy: 0.7508926855768803
Energy: 0.7302508657660269
Energy: 0.7400570900099597
Energy: 0.7162335100707279
Energy: 0.7159090710671393
Energy: 0.7170275771363483
Energy: 0.7169703612385032
Energy: 0.7157692371783798
Energy: 0.7362616523304285
Energy: 0.6879828118560024
Energy: 0.7177401058720001
Energy: 0.7177788294628061
Energy: 0.6880554160892155
Energy: 0.7180976918893585
Energy: 0.7366746361303814
Energy: 0.7162262022780681
Energy: 0.7164001757867375
Energy: 0.7166954742099552
Energy: 0.7160674625711761
Energy: 0.7169900201670972
Energy: 0.7378493360578016
Energy: 0.7176189389581668
Energy: 0.7175478652187216
Energy: 0.7379766163232301
Energy: 0.7170226206776515
Energy: 0.7178050553615781
Energy: 0.7411802089075946
Energy: 0.7318379683080499
Energy: 0.7246609463092089
Energy: 0.7410868508565949
Energy: 0.7316274240139702
Energy: 0.7235501831706865
Energy: 0.7726626935405155
Energy: 0.7165035539579628
Energy: 0.7163317068198893
Energy: 0.7581249905104483
Energy: 0.7171829765463295
Energy: 0.7160415153248703

minimum gb energy = 0.6879828118560024 eV
minimum distance =  2.43307272397572 Angstroms
sigma value = 3


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

Energy: 1.2753631290912684
Energy: 0.8934113502871637
Energy: 0.7950701471614908
Energy: 0.8024297951657624
Energy: 0.8935573424281906
Energy: 0.7941587598551116
Energy: 0.8285365259301481
Energy: 0.805803942696502
Energy: 0.8114491008161933
Energy: 0.8229038468390752
Energy: 0.8413344771311474
Energy: 0.8047523248939028
Energy: 0.808896775169539
Energy: 0.812322495594072
Energy: 0.8109347858743495
Energy: 0.8128452450086388
Energy: 0.8117326807164069
Energy: 0.8335300774953402
Energy: 0.8048757359427298
Energy: 0.809316884831954
Energy: 0.8143064211335678
Energy: 0.805417474855807
Energy: 0.8048912446293317
Energy: 0.7974354585517303
Energy: 0.7930690620277905
Energy: 0.8131365671283574
Energy: 0.8138292273039628
Energy: 0.7937973044575669
Energy: 0.7846022347993911
Energy: 0.7981959413832502
Energy: 0.8102846798721953
Energy: 0.8003107304928593
Energy: 0.7997463850497522
Energy: 0.7985192979798451
Energy: 0.7860374898230632
Energy: 0.799249826553535
Energy: 0.7991760695712168
Energy: 0.7970145742736695
Energy: 0.797206042612336
Energy: 0.7844294514027913
Energy: 0.8232722437026894
Energy: 0.8060338217352955
Energy: 0.896004609041865
Energy: 0.8545715295746731
Energy: 0.7864679765273337
Energy: 0.852127502457818
Energy: 0.8542620713899693
Energy: 0.7868956405166393
Energy: 0.8020859504127281
Energy: 0.8108156480711237
Energy: 0.7968210105892406
Energy: 0.7874711870959219
Energy: 0.8583613418029672
Energy: 0.8247866320015474
Energy: 0.7942157669932024
Energy: 0.8583873530609049
Energy: 0.8589948969593361
Energy: 0.9238443707628152
Energy: 0.8587337365377127
Energy: 0.8068291708123486
Energy: 0.8347420475302245
Energy: 0.7937116329341031
Energy: 0.7947387616625022
Energy: 0.8554445865558331
Energy: 0.7956370141086833
Energy: 0.801153629402206
Energy: 0.8257398810368779
Energy: 0.8017549354216973
Energy: 0.8020679384054731
Energy: 0.796887571618743
Energy: 0.7862516897876922
Energy: 0.803944057631315
Energy: 0.8019381453225658
Energy: 0.7970151365833195
Energy: 0.7971524588357606
Energy: 0.7707202737696326
Energy: 0.7995275717735881
Energy: 0.8151123862319609
Energy: 0.8540985838918157
Energy: 0.8179209124234121
Energy: 0.8002351257570721
Energy: 0.8146795224408176
Energy: 0.8125210497954186
Energy: 0.7998541399844474
Energy: 0.8328583733644612
Energy: 0.8280684389880901
Energy: 0.8192918348061154
Energy: 0.8038771979933783
Energy: 0.8131114555163427
Energy: 0.8132392119669872
Energy: 0.8911360722402714
Energy: 0.8204999631805815
Energy: 0.8230574945864356
Energy: 0.8142896800859727
Energy: 0.8203751503615536
Energy: 0.8380441794581251
Energy: 0.8967251576468813
Energy: 0.7986430377495074
Energy: 0.8373435025371165
Energy: 0.8975264819588122
Energy: 0.8367747824384493
Energy: 0.819237153849711
Energy: 0.8788333817886965
Energy: 0.825348202821526
Energy: 0.8366271629744368
Energy: 0.8734293893264506
Energy: 0.8264129709095464
Energy: 0.8406247677773057
Energy: 0.9374227304463797
Energy: 0.8345122244716027
Energy: 0.8331760881026952
Energy: 0.862712737255937
Energy: 0.8338398236128353
Energy: 0.8575400456845679
Energy: 0.8532299054568319
Energy: 0.792725970939163
Energy: 0.8359960603762163
Energy: 0.8612885821744601
Energy: 0.8476859035814321
Energy: 0.8576847587678562
Energy: 0.7946240995161291
Energy: 0.8080108392407064
Energy: 0.8028384025124828
Energy: 0.7904033068836873
Energy: 0.7991791621470452
Energy: 0.7993642134297906
Energy: 0.7948578165847185
Energy: 0.8011248044596433
Energy: 0.7975715418853784
Energy: 0.8001698319275582
Energy: 0.8018612180714277
Energy: 0.799534000701381
Energy: 0.7967197612621298
Energy: 0.7996127795568073
Energy: 0.7974340136529291
Energy: 0.7978373306891949
Energy: 0.7903932509401945
Energy: 0.8002203240084209
Energy: 0.7852979541868192
Energy: 0.813083821476968
Energy: 0.8128719105427775
Energy: 0.7853434983904318
Energy: 0.8353043450326499
Energy: 0.7915808613721418
Energy: 0.8152433173476632
Energy: 0.7977221111986087
Energy: 0.8327538525828032
Energy: 0.8162200387085145
Energy: 0.809013727820057
Energy: 0.825725089090601
Energy: 0.9407620740795596
Energy: 0.8017719004616248
Energy: 0.7944218254791912
Energy: 0.8184796973907031
Energy: 0.8568952370226064
Energy: 0.8037474380432149
Energy: 0.7870086665103831
Energy: 0.8013440907951175
Energy: 0.7950850390371126
Energy: 0.8164550451293897
Energy: 0.8481953763335044
Energy: 0.7970635538011441
Energy: 0.8162134942079129
Energy: 0.8325050304633005
Energy: 0.8285497091443159
Energy: 0.8272852579772024
Energy: 0.8317180095654303
Energy: 0.8300367776972059
Energy: 0.8082824751376333
Energy: 0.8104761620917104
Energy: 0.8091451103813441
Energy: 0.8097077852579987
Energy: 0.8117858268083054
Energy: 0.7991135410805498
Energy: 0.8114198467828727
Energy: 0.8199833598595979
Energy: 0.8202990339563573
Energy: 0.81262567540174
Energy: 0.816762092125231
Energy: 0.827138296343843
Energy: 0.810948412509932
Energy: 0.788847579970947
Energy: 0.78615358150219
Energy: 0.8014830068384867
Energy: 0.7880063454224949
Energy: 0.7889075045336021
Energy: 0.7930305895888081
Energy: 0.7985967739013777
Energy: 0.803905508424083
Energy: 0.7824895355729223
Energy: 0.8171530335014418
Energy: 0.7835724598051207
Energy: 0.896345729776494
Energy: 0.8179158893787115
Energy: 0.8145937689568074
Energy: 0.837430560512722
Energy: 0.8288359628531234
Energy: 0.8340149197990222
Energy: 0.8783630119992003
Energy: 0.8260958894127682
Energy: 0.8280062836319121
Energy: 0.8338454434455032
Energy: 0.8432297757249352
Energy: 0.8391049419938549
Energy: 0.7950359243339757
Energy: 0.798218259405788
Energy: 0.8090536690599152
Energy: 0.7831947478864085
Energy: 0.7975949167030492
Energy: 0.827441472149146
Energy: 0.82643962209854
Energy: 0.8583458264238918
Energy: 0.8587017433272986
Energy: 0.8265388870535627
Energy: 0.858695390212937
Energy: 0.8072314707574741
Energy: 0.8313033470524968
Energy: 0.8109685504082255
Energy: 0.8129915108405638
Energy: 0.8242517073315231
Energy: 0.7824577960770981
Energy: 0.7990299495304436
Energy: 0.8024084278622021
Energy: 0.79310552141766
Energy: 0.7930336327523516
Energy: 0.8038531706790554
Energy: 0.82503358908346
Energy: 0.8057411673741444
Energy: 0.7859853282988016
Energy: 0.8192099346195262
Energy: 0.8251556294323626
Energy: 0.8326015560520266
Energy: 0.8135538822630434
Energy: 0.8002762567589694
Energy: 0.8327125273143765
Energy: 0.7998904205953044
Energy: 0.833111246548448
Energy: 0.7890116736870267
Energy: 0.799831000489536
Energy: 0.8340746332888949
Energy: 0.8934404579096388
Energy: 0.8326617925937582
Energy: 0.8325290901297131
Energy: 0.8196525877295591
Energy: 0.8157103596544523
Energy: 0.835423143669742
Energy: 0.9583708388751481
Energy: 0.8183562085917262
Energy: 0.8036489153978418
Energy: 0.9293722940430263
Energy: 0.8380494795711373
Energy: 0.831758567177892
Energy: 0.8794800440878258
Energy: 0.8351652955418165
Energy: 0.8341531375908525
Energy: 0.9281377801276494
Energy: 0.8370361470400527
Energy: 0.8128272375914095
Energy: 0.8855452758584268
Energy: 0.8231602139434788
Energy: 0.8234333362204251
Energy: 0.8264565731388397
Energy: 0.8203119391391417
Energy: 0.8224618277506022
Energy: 1.1248422129731601
Energy: 0.7854716874475897
Energy: 0.8222018703867733
Energy: 0.86141671195167
Energy: 0.7851848325904612
Energy: 0.7767002591025342
Energy: 0.7977443303849618
Energy: 0.801030033835489
Energy: 0.7991004646606535
Energy: 0.7924897674649884
Energy: 0.799162425624065
Energy: 0.7986309979946894
Energy: 0.7949826719795312
Energy: 0.8006589100333833
Energy: 0.797559761705741
Energy: 0.800906613903161
Energy: 0.799784183693614
Energy: 0.7989117800332249
Energy: 0.7948354058612521
Energy: 0.8036066642862209
Energy: 0.8041797554631946
Energy: 0.7990368255035487
Energy: 0.7959806377461901
Energy: 0.8047677659815476
Energy: 0.7946431254775421
Energy: 0.843645787924566
Energy: 0.833306127662728
Energy: 0.7952304597503648
Energy: 0.8346712541749042
Energy: 0.832431945536962
Energy: 0.8085218333673745
Energy: 0.8354446779483611
Energy: 0.8349928731679523
Energy: 0.8797929067908161
Energy: 0.8351592258740217
Energy: 0.8364689210658355
Energy: 0.8093529688234988
Energy: 0.8030474478972747
Energy: 0.8058325663547183
Energy: 0.7933586563092907
Energy: 0.8717127464320588
Energy: 0.8059808729170033

minimum gb energy = 0.7707202737696326 eV
minimum distance =  2.34582495938086 Angstroms
sigma value = 81


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

Energy: 1.4092090122276921
Energy: 0.8098825211794491
Energy: 0.7348252480796728
Energy: 0.7536276823681222
Energy: 0.8099045277507425
Energy: 0.8379965319625368
Energy: 0.9105207602194151
Energy: 0.7919292789831448
Energy: 0.7848503353530905
Energy: 0.7755952943112062
Energy: 0.7903923345155891
Energy: 0.7992709217190779
Energy: 0.8796586951935197
Energy: 0.8101212518210958
Energy: 0.8097053982999274
Energy: 0.7951499165337482
Energy: 0.8111845920938625
Energy: 0.7664785995643789
Energy: 0.8791487432163724
Energy: 0.8115357017579635
Energy: 0.8895095600641663
Energy: 0.8795817439697234
Energy: 0.8111072995638917
Energy: 0.781090915940203
Energy: 0.8811361150348352
Energy: 0.9254681696313808
Energy: 0.8815027458261576
Energy: 0.8814642234701486
Energy: 0.931031118134083
Energy: 0.8781836905061915
Energy: 0.8788512185830989
Energy: 0.9151584320205763
Energy: 0.8704708293136689
Energy: 0.8820335199879379
Energy: 0.9151114599976202
Energy: 0.8710625297339993
Energy: 0.913628721217673
Energy: 0.872260601122632
Energy: 0.8730062880741216
Energy: 0.9130450784020485
Energy: 0.9370232359242622
Energy: 0.872739025082264
Energy: 0.8300930440986201
Energy: 1.0247426315626609
Energy: 0.988663033620427
Energy: 0.8057349265896002
Energy: 0.9649110356123247
Energy: 0.807093936657364
Energy: 0.878793941014274
Energy: 0.9293703681264319
Energy: 0.8588710468112926
Energy: 0.8893719492131941
Energy: 0.931297729233102
Energy: 0.8566181551779497
Energy: 1.084302641261181
Energy: 0.7378683159880132
Energy: 0.7398178651561483
Energy: 0.9739140884010709
Energy: 0.7389362817904191
Energy: 0.740306260331104
Energy: 0.8869144126805982
Energy: 0.7498863983623364
Energy: 0.7381594089135473
Energy: 0.8640501915083597
Energy: 0.7558245423173058
Energy: 0.844645043262385
Energy: 0.820310270732162
Energy: 0.9312166830099134
Energy: 0.927705317466116
Energy: 0.8142558322140233
Energy: 0.9288448428217373
Energy: 0.929124188290462
Energy: 0.8204730594007478
Energy: 0.8874463822425289
Energy: 0.8867020275637018
Energy: 0.811068299965676
Energy: 0.8853316668777833
Energy: 0.8115747027455243
Energy: 0.8824937849603652
Energy: 0.866915417391154
Energy: 0.8671591893071449
Energy: 0.8718870304990399
Energy: 0.867736104905558
Energy: 0.8704531283636753
Energy: 0.8850843860768111
Energy: 0.8684953711218452
Energy: 0.8762275909374675
Energy: 0.8771570554056047
Energy: 0.8676140535336963
Energy: 0.8832676331231064
Energy: 0.9803116214066971
Energy: 0.8828530358837863
Energy: 0.87622251181163
Energy: 0.9226755084331237
Energy: 0.9194961411938507
Energy: 0.8866460266376489
Energy: 0.9792214371822511
Energy: 0.8060704658791521
Energy: 0.8054636094701731
Energy: 1.0116508724214306
Energy: 0.8068931895554574
Energy: 0.8039560307391111
Energy: 0.9070479749345263
Energy: 0.7894422776164332
Energy: 0.7965547436777176
Energy: 0.8960715365079471
Energy: 0.8256248820859619
Energy: 0.7790398836206347
Energy: 0.7383420515916111
Energy: 0.7956310780708585
Energy: 0.8212405208520623
Energy: 0.8164721228618429
Energy: 0.7914443824702542
Energy: 0.7369580960161537
Energy: 0.7377335954192639
Energy: 0.7950167655978959
Energy: 0.8231576622916552
Energy: 0.8184575076393328
Energy: 0.795420574001517
Energy: 0.7368846057247979
Energy: 0.7786734720749924
Energy: 0.7965059346377154
Energy: 0.7962090601333938
Energy: 0.7814879511449047
Energy: 0.7887203635126392
Energy: 0.7822348950941843
Energy: 0.8799144200479697
Energy: 0.8117803982226758
Energy: 0.8105933510871252
Energy: 0.8819133021999911
Energy: 0.8121759643053602
Energy: 0.8106091611946772
Energy: 0.8786477257362041
Energy: 0.8878739014801749
Energy: 0.8816188825844301
Energy: 0.8796986719642815
Energy: 0.7958885455417744
Energy: 0.8864838181032241
Energy: 0.8846687696395853
Energy: 0.8839329216984994
Energy: 0.879791155192699
Energy: 0.8784817509072969
Energy: 0.8804433505717725
Energy: 0.8838167786228139
Energy: 0.8811952590993797
Energy: 0.8729290383440581
Energy: 0.9140633885548083
Energy: 0.9151993077986889
Energy: 0.8720550179817341
Energy: 0.869071736529256
Energy: 0.8317470154419287
Energy: 0.9374137443195533
Energy: 0.9337223872433342
Energy: 0.8035756718020709
Energy: 0.9739851542662665
Energy: 0.9168853518855122
Energy: 0.9446324682651424
Energy: 0.9685929345931503
Energy: 0.9679620062905043
Energy: 0.8037256923288919
Energy: 1.0197300398059768
Energy: 0.9705388399853646
Energy: 0.8815167824058476
Energy: 0.7869743130013679
Energy: 0.8903622135348208
Energy: 0.902919778397774
Energy: 0.7546589757846761
Energy: 0.8913712957475691
Energy: 1.075936341255214
Energy: 0.7406885727067936
Energy: 0.7400781851214762
Energy: 0.9439716558113498
Energy: 0.7403766242664412
Energy: 0.7398324580851321
Energy: 0.8822023811133113
Energy: 0.9297801593012155
Energy: 0.8583907433442659
Energy: 0.8446966576292939
Energy: 0.9349767298956287
Energy: 0.8593545760174807
Energy: 0.8203014044818607
Energy: 0.9565041606140654
Energy: 0.9393751443539226
Energy: 0.8103447112286393
Energy: 0.9553207173955701
Energy: 0.8115724074356995
Energy: 0.9184802699153405
Energy: 0.8841654598546939
Energy: 0.872922196238482
Energy: 0.8722202783478147
Energy: 0.8733069049841866
Energy: 0.8731601936809031
Energy: 0.8839216839649864
Energy: 0.8687220377682955
Energy: 0.8686641919893539
Energy: 0.8808565722985369
Energy: 0.8678977754682361
Energy: 0.8685342381258323
Energy: 0.8829962668715922
Energy: 0.8744201974714423
Energy: 0.8800487444823858
Energy: 0.9211265040756896
Energy: 0.9438401912943865
Energy: 0.9178960356812691
Energy: 0.9831308354342246
Energy: 0.8053706181251122
Energy: 0.8806256097033436
Energy: 0.9833093390418206
Energy: 0.8037274501803289
Energy: 0.8495361233343866
Energy: 1.026176411909669
Energy: 0.8064116775340545
Energy: 0.8070267275060053
Energy: 0.9165309336049101
Energy: 0.8065666922124767
Energy: 0.9960621771160542
Energy: 1.0435002371163702
Energy: 0.7917421187056285
Energy: 0.7899393330531425
Energy: 0.7921851684238866
Energy: 0.8087174550051466
Energy: 0.7859559813825603
Energy: 0.8314052398013271
Energy: 0.8018812649211297
Energy: 0.7419937993654521
Energy: 0.7379859143077874
Energy: 0.8022544614084217
Energy: 0.8215591007839285

minimum gb energy = 0.7348252480796728 eV
minimum distance =  2.33588054875175 Angstroms
sigma value = 43


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

Energy: 1.3780366995975717
Energy: 0.9952356611810572
Energy: 0.8196857664187347
Energy: 0.7738534878823795
Energy: 0.9952589525904113
Energy: 0.7735898417681073
Energy: 0.7733293613695068
Energy: 0.8000685929003313
Energy: 0.7964922051828883
Energy: 0.8108159498786536
Energy: 0.7942498798306968
Energy: 0.7763576590121398
Energy: 0.7685713046697235
Energy: 0.8189109421434003
Energy: 0.819057934814945
Energy: 0.8161741977466079
Energy: 0.8366399583052216
Energy: 0.8163330634359388
Energy: 0.7728754505664813
Energy: 0.7570538207271739
Energy: 0.7759623600833061
Energy: 0.7728947267359846
Energy: 0.7568647612840574
Energy: 0.7756783319204638
Energy: 0.7722543114979787
Energy: 0.7759207159389218
Energy: 0.7755143614573148
Energy: 0.7753062701536598
Energy: 0.7759909080621716
Energy: 0.7754248772143345
Energy: 0.7722827821665161
Energy: 0.7763051790465104
Energy: 0.7764417082840624
Energy: 0.7757281772854294
Energy: 0.7799291692686291
Energy: 0.776979401272027
Energy: 0.7722665322949978
Energy: 0.7728339626863966
Energy: 0.7749570917146784
Energy: 0.7945492762903178
Energy: 0.7728013919724243
Energy: 0.7754153998247946
Energy: 0.7824708099150204
Energy: 0.769125212457046
Energy: 0.9040922721056396
Energy: 0.7856198051134953
Energy: 0.7696586223736749
Energy: 0.771893340594588
Energy: 0.7642357748195012
Energy: 0.7734731579206271
Energy: 0.7755409801923336
Energy: 0.7638225420859531
Energy: 0.8107924766257998
Energy: 0.7762067250677207
Energy: 0.9160674671581142
Energy: 0.8507782900661163
Energy: 0.852436341304567
Energy: 0.8654103755227811
Energy: 0.8504908292779069
Energy: 0.8221472297946701
Energy: 0.7792539979665729
Energy: 0.7882588186779474
Energy: 0.821586148282476
Energy: 0.7879068601509291
Energy: 0.7692821481708854
Energy: 0.7966074972335535
Energy: 0.7699644743125558
Energy: 0.845062234992539
Energy: 0.845009673023048
Energy: 0.7737088082082574
Energy: 0.7732142359333498
Energy: 0.8543933537698639
Energy: 0.7702221935936067
Energy: 0.8203638064432507
Energy: 0.7891999276990822
Energy: 0.8192642932269621
Energy: 0.7949214467324847
Energy: 0.8695586232496284
Energy: 0.779351792285156
Energy: 0.7742723462905317
Energy: 0.765130398278201
Energy: 0.7886843821446552
Energy: 0.7727912087671693
Energy: 0.7646444765540483
Energy: 0.7813420435788816
Energy: 0.7916584721890415
Energy: 0.7978761439858122
Energy: 0.7988326675523743
Energy: 0.7711105889722493
Energy: 0.7689129542713539
Energy: 0.782487355514593
Energy: 0.8024008909400606
Energy: 0.7940622678169157
Energy: 0.7824667449871697
Energy: 0.7810738162692937
Energy: 0.7808152889254978
Energy: 0.7830183519654466
Energy: 0.8176727029645531
Energy: 0.818393764022616
Energy: 0.7837884332877363
Energy: 0.7928710720797919
Energy: 0.7870625600048387
Energy: 0.78346179721836
Energy: 0.8053675963297623
Energy: 0.8032106291880327
Energy: 0.7812857880188745
Energy: 0.7845398572047826
Energy: 0.8185461589200116
Energy: 0.7650146897673226
Energy: 0.781850473009032
Energy: 0.7854868520942446
Energy: 0.8088313018733968
Energy: 0.8105451422009626
Energy: 0.8101175315838044
Energy: 0.7649243373955625
Energy: 0.7817975436511357
Energy: 0.8183972868127872
Energy: 0.8480405937714806
Energy: 0.7819598380304312
Energy: 0.8528238371068341
Energy: 0.7823869169465859
Energy: 0.7797476042127957
Energy: 0.7854833882658778
Energy: 0.7858302501285684
Energy: 0.779000149869315
Energy: 0.795551908172706
Energy: 0.8454375859686512
Energy: 0.790168852579118
Energy: 0.8325023047282041
Energy: 0.845584748952735
Energy: 0.7586757328610508
Energy: 0.8327865853468087
Energy: 0.8367217032346798
Energy: 0.7803843290642489
Energy: 0.7800727071464104
Energy: 0.7793485108078826
Energy: 0.780619432836492
Energy: 0.7923081701634166
Energy: 0.7943948514903979
Energy: 0.7857967957344549
Energy: 0.818088529884956
Energy: 0.8140096523210215
Energy: 0.7861499539876329
Energy: 0.8167875498749579
Energy: 0.8365956313862971
Energy: 0.784705157604292
Energy: 0.7835472240325844
Energy: 0.8263352028724632
Energy: 0.7825953681094321
Energy: 0.7865854036391758
Energy: 0.8359936820720798
Energy: 0.7953899846509516
Energy: 0.792391798597367
Energy: 0.7949975634645982
Energy: 0.7959571301467717
Energy: 0.7911758578255683
Energy: 0.8154785293993387
Energy: 0.7958043669822344
Energy: 0.7959167186175475
Energy: 0.7648133553768935
Energy: 0.7952453291490107
Energy: 0.7956570811176146
Energy: 0.7935071789976963
Energy: 0.7854131759685609
Energy: 0.785353654405579
Energy: 0.7733821987625885
Energy: 0.7743400756407077
Energy: 0.7758397206427321
Energy: 0.7686627035480027
Energy: 0.775047670696051
Energy: 0.7744852408835651
Energy: 0.768688633635078
Energy: 0.7850111810616361
Energy: 0.774351028033602
Energy: 0.7731389842495436
Energy: 0.7646898207445154
Energy: 0.7651311071313356
Energy: 0.8113889000387328
Energy: 0.7632395309252139
Energy: 0.7751335530754426
Energy: 0.7614187667024327
Energy: 0.8764379819460425
Energy: 0.8585537371322561
Energy: 0.7927608428385547
Energy: 0.8773064657663513
Energy: 0.7797305065067835

minimum gb energy = 0.7568647612840574 eV
minimum distance =  2.32645438162392 Angstroms
sigma value = 57


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

Energy: 0.9214326847986184
Energy: 0.9013249896378063
Energy: 0.7687790647274666
Energy: 0.8003759242800657
Energy: 0.900994458860248
Energy: 0.769810474365028
Energy: 0.8368437570353146
Energy: 0.7944109072493125
Energy: 0.7645365179905297
Energy: 0.7979764400123521
Energy: 0.793802968949428
Energy: 0.7656621164280741
Energy: 0.7783096739289125
Energy: 0.7292179032358728
Energy: 0.7298162560553025
Energy: 0.7840121111635421
Energy: 0.7287959696162555
Energy: 0.7294118142012935
Energy: 0.7801951958962109
Energy: 0.7293825401537775
Energy: 0.7291150649953547
Energy: 0.7815128424435377
Energy: 0.7303570575846915
Energy: 0.7566719058231639
Energy: 0.7800856177625926
Energy: 0.7586851676507712
Energy: 0.7589284307125111
Energy: 0.7646186190203882
Energy: 0.7567157417289473
Energy: 0.7588047144780794
Energy: 0.7487929352486759
Energy: 0.7561021841700649
Energy: 0.7562923356576038
Energy: 0.7563126991844069
Energy: 0.7558777364200839
Energy: 0.7552909348540885
Energy: 0.7909906184342995
Energy: 0.7806547976420687
Energy: 0.7848678951289088
Energy: 0.777852578015254
Energy: 0.7802886212026667
Energy: 0.7569749356529162
Energy: 0.779659713619515
Energy: 0.7577198703603871
Energy: 0.7474872730876928
Energy: 0.7538420917239713
Energy: 0.755069236460061
Energy: 0.7462959741762323
Energy: 0.7911408226974079
Energy: 0.7747379822180847
Energy: 0.7753231775277739
Energy: 0.795686475481678
Energy: 0.783759809424521
Energy: 0.7591541598093684
Energy: 0.9177857360102191
Energy: 0.7711508762296969
Energy: 0.7712198414370715
Energy: 0.9187857881669674
Energy: 0.771168357139567
Energy: 0.7722108907995342
Energy: 0.7788668668267049
Energy: 0.7714583860363818
Energy: 0.7567766039724663
Energy: 0.7933190600676054
Energy: 0.7540774255265734
Energy: 0.7563488527139901
Energy: 0.748249722837565
Energy: 0.7964285538707895
Energy: 0.7850255679667046
Energy: 0.7306132548230454
Energy: 0.7943541464255773
Energy: 0.8024613230642657
Energy: 0.7482800816530346
Energy: 0.7850879990598834
Energy: 0.8049835967679062
Energy: 0.8022084313574253
Energy: 0.7836278560784126
Energy: 0.8020810087419575
Energy: 0.8403296906759935
Energy: 0.7649560710618213
Energy: 0.7652742291128052
Energy: 0.8046663099637537
Energy: 0.7933268921071864
Energy: 0.7584668857671047
Energy: 0.7771544140543145
Energy: 0.7292195020623109
Energy: 0.7673758860209429
Energy: 0.76852846204738
Energy: 0.7296915855760759
Energy: 0.768720388015165
Energy: 0.7802537016158944
Energy: 0.7567547258966439
Energy: 0.7638941210986043
Energy: 0.7805361412699019
Energy: 0.7550833163721947
Energy: 0.7640231295434619
Energy: 0.7803978586340735
Energy: 0.7553300947226308
Energy: 0.7548650856522634
Energy: 0.7636089501438318
Energy: 0.7551541986375032
Energy: 0.7556279218763086
Energy: 0.7679804656001611
Energy: 0.755991584690553
Energy: 0.7583369552440463
Energy: 0.7547762298894175
Energy: 0.7683701038643131
Energy: 0.7584917727751574
Energy: 0.7910293613047202
Energy: 0.7836595849351721
Energy: 0.785348775123261
Energy: 0.7543738263894305
Energy: 0.7843719783601706
Energy: 0.7860011671248432
Energy: 0.7909382258303947
Energy: 0.7841568933774461
Energy: 0.7854065572128593
Energy: 0.7568711792817171
Energy: 0.7830665931453724
Energy: 0.7868025239968699
Energy: 0.7926884841179689
Energy: 0.7835824239042345
Energy: 0.7641687708660682
Energy: 0.7945142859745237
Energy: 0.7856816823849986
Energy: 0.763619422415134
Energy: 0.900051016420868
Energy: 0.7714001316994972
Energy: 0.7716782583124161
Energy: 0.9004675932326942
Energy: 0.7711060485851693
Energy: 0.7496615856101483
Energy: 0.8387561669447979
Energy: 0.7836504790695221
Energy: 0.7981486993528009
Energy: 0.7945176484857515
Energy: 0.7941033335128619
Energy: 0.7646995311339352
Energy: 0.7482305847512148
Energy: 0.7850085742738452
Energy: 0.8047294676513189
Energy: 0.802309352369073
Energy: 0.7840620430930517
Energy: 0.8022069087983078

minimum gb energy = 0.7287959696162555 eV
minimum distance =  2.2872415969977 Angstroms
sigma value = 17


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

Energy: 0.6887751315377012
Energy: 0.7944364736799028
Energy: 0.8817318768369523
Energy: 0.7554030506551657
Energy: 0.8664605351634964
Energy: 0.7489677737153322
Energy: 0.781987677357962
Energy: 0.8052338460646263
Energy: 0.7835696627726205
Energy: 0.8023804110554026
Energy: 0.7949166363777233
Energy: 0.7155702223405805
Energy: 0.7951363975121589
Energy: 0.6919564492357477
Energy: 0.6919890257459238
Energy: 0.7926205311441535
Energy: 0.6932108763603632
Energy: 0.7129248753766182
Energy: 0.7973746011048645
Energy: 0.692841163733622
Energy: 0.7015216952906692
Energy: 0.7973591501215983
Energy: 0.6928550499062409
Energy: 0.7974986756134117
Energy: 0.7111398384629751
Energy: 0.7080864329829815
Energy: 0.690822462639711
Energy: 0.7116616787149358
Energy: 0.7015858997148012
Energy: 0.6904188699261951
Energy: 0.7224994885409942
Energy: 0.6913201371090879
Energy: 0.6906898904729007
Energy: 0.6813097849699176
Energy: 0.7028507740746228
Energy: 0.6809550722603569
Energy: 0.7027510417694622
Energy: 0.702773476100718
Energy: 0.7024871759298068
Energy: 0.7081912867472338
Energy: 0.702840627556022
Energy: 0.6932214524059657
Energy: 0.7029745937087349
Energy: 0.6844404921281728
Energy: 0.6964890380855971
Energy: 0.6841159248477934
Energy: 0.6836343877938081
Energy: 0.6962789713579263
Energy: 0.7048171074351122
Energy: 0.6829444567921353
Energy: 0.6823940438094478
Energy: 0.70604878705514
Energy: 0.6838230858973691
Energy: 0.6928381470931617
Energy: 0.7024071097248444
Energy: 0.6906641350149045
Energy: 0.6903897514727491
Energy: 0.70241888114991
Energy: 0.690386043976859
Energy: 0.6905695461940904
Energy: 0.7031901135262612
Energy: 0.6906695077339258
Energy: 0.6903568253236081
Energy: 0.7077555072250249
Energy: 0.7983764279191522
Energy: 0.6906707333746017
Energy: 0.7100949244148608
Energy: 0.797383519794809
Energy: 0.7973166324556185
Energy: 0.6914015496638578
Energy: 0.7974617686821585
Energy: 0.7981674710829335
Energy: 0.7106245245968784
Energy: 0.7834978012996058
Energy: 0.7705215818653778
Energy: 0.6912451873054615
Energy: 0.792838668573516
Energy: 0.7700278293511282
Energy: 0.8064312669712751
Energy: 0.7924777395005135
Energy: 0.7833792883316322
Energy: 0.8038155673980389
Energy: 0.7952464368971087
Energy: 0.7149739388521235
Energy: 0.8608350621080344
Energy: 0.7819780291905363
Energy: 0.7911865456642244
Energy: 0.8609843959205593
Energy: 0.7822307129301621
Energy: 0.7910749150404024
Energy: 0.8286319195265908
Energy: 0.795088960498438
Energy: 0.721180036137862
Energy: 0.7931149967926698
Energy: 0.8122549853269574
Energy: 0.7830275788622898
Energy: 0.681189136429348
Energy: 0.7831529718038316
Energy: 0.8596172758693031
Energy: 0.7118681364702117
Energy: 0.8124893056746234
Energy: 0.8587288929306385

minimum gb energy = 0.6809550722603569 eV
minimum distance =  2.3566206651736 Angstroms
sigma value = 17


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

Energy: 1.3824423605917273
Energy: 0.7705577917994605
Energy: 0.715598028263009
Energy: 0.6942076362991527
Energy: 0.7499062994056017
Energy: 0.7327656682335946
Energy: 0.7414254860250948
Energy: 0.7510326816195092
Energy: 0.7501095595074353
Energy: 0.7685168202124545
Energy: 0.7711585519432347
Energy: 0.7028007653601815
Energy: 0.927034632114568
Energy: 0.6402597532022256
Energy: 0.662522477538475
Energy: 0.7685175552569108
Energy: 0.6402375805175652
Energy: 0.6653558589370139
Energy: 0.7713417856105731
Energy: 0.6609895923030675
Energy: 0.6613475864899804
Energy: 0.7720684374639413
Energy: 0.642194302600415
Energy: 0.6845343452242169
Energy: 0.6788300475177389
Energy: 0.6530876194083737
Energy: 0.6540151376370883
Energy: 0.6793930895712036
Energy: 0.6825718855499576
Energy: 0.6511877246651302
Energy: 0.618444458281555
Energy: 0.6528334526790947
Energy: 0.6382360070553555
Energy: 0.6393702497503737
Energy: 0.6697847428796054
Energy: 0.6386771626631993
Energy: 0.6271064384351597
Energy: 0.6703657756934714
Energy: 0.6701557469842587
Energy: 0.631270313863585
Energy: 0.6728186550143814
Energy: 0.6504986295254376
Energy: 0.6277918513726957
Energy: 0.6224678813702744
Energy: 0.6307463562945833
Energy: 0.6319507310894974
Energy: 0.6224788739947931
Energy: 0.6311012710347965
Energy: 0.6286845013579535
Energy: 0.62988899797384
Energy: 0.6321463379565403
Energy: 0.6298377213192309
Energy: 0.6324870107154976
Energy: 0.6282492554684941
Energy: 0.6278592688826062
Energy: 0.6244745170459634
Energy: 0.6245791175970445
Energy: 0.6277161765840518
Energy: 0.6244271165032999
Energy: 0.624520785621533
Energy: 0.6421626042337027
Energy: 0.626405762678605
Energy: 0.625640238630633
Energy: 0.6258195725781549
Energy: 0.6278015252547721
Energy: 0.624763685523602
Energy: 0.6297639282080004
Energy: 0.6286387018591335
Energy: 0.6282220660579984
Energy: 0.6309537928456863
Energy: 0.6323337688481873
Energy: 0.6362609813020419
Energy: 0.6285951850707882
Energy: 0.6319933653921991
Energy: 0.6315194610746778
Energy: 0.6302242132078522
Energy: 0.6319327857103806
Energy: 0.6306497934545559
Energy: 0.6696981778015908
Energy: 0.6351401686498386
Energy: 0.6340288739476062
Energy: 0.6707287869122904
Energy: 0.6365796931161084
Energy: 0.6703595567225724
Energy: 0.6696926972392686
Energy: 0.6326959514525816
Energy: 0.6322075112309259
Energy: 0.6694959318229793
Energy: 0.6628325960303207
Energy: 0.6527644126516217
Energy: 0.772623299213584
Energy: 0.6753098001250527
Energy: 0.6509771302686397
Energy: 0.6731611552901141
Energy: 0.6827158158995414
Energy: 0.6534369527847507
Energy: 0.6277680970412919
Energy: 0.7687952502042951
Energy: 0.7687317003546544
Energy: 0.6452175733193923
Energy: 0.7686836555653018
Energy: 0.6524612945950166
Energy: 0.6814204376529795
Energy: 0.7512822341876441
Energy: 0.7354407206979459
Energy: 0.6794968264043284
Energy: 0.7759718422672305
Energy: 0.65287712140951
Energy: 0.8559446944562604
Energy: 0.7521166975769349
Energy: 0.717867047567062
Energy: 0.7694935120210368
Energy: 0.6820670405659526
Energy: 0.6539641271729985
Energy: 0.9315402505433168
Energy: 0.6672327484445898
Energy: 0.6674215724314367
Energy: 0.7739227541661782
Energy: 0.6537144193018797
Energy: 0.7404688734737875
Energy: 0.8841057711379158
Energy: 0.7192451308503853
Energy: 0.7502904693689187
Energy: 0.7703783213235287
Energy: 0.7627940472341053
Energy: 0.7154230368898991
Energy: 0.6372857737458999
Energy: 0.754468218443316
Energy: 0.8207601910951672
Energy: 0.6632418827879691
Energy: 0.7756544476708264
Energy: 0.6612902453237205
Energy: 0.6399651446122
Energy: 0.7494271460621965
Energy: 0.7499566805933698
Energy: 0.6406717463294493
Energy: 0.7729313419192085
Energy: 0.8022764904818245
Energy: 0.8840049765045428
Energy: 0.6820521289361965
Energy: 0.7162146090646189
Energy: 0.7701611038121583
Energy: 0.6444946028914528
Energy: 0.716588594785496
Energy: 0.7684596478402392
Energy: 0.640814671391314
Energy: 0.6627052516760727
Energy: 0.7685598378736407
Energy: 0.6412789650084006
Energy: 0.6650132393823738
Energy: 0.7713399246012197
Energy: 0.6530003390572842
Energy: 0.6540429418339974
Energy: 0.7724417913484316
Energy: 0.673300152842487
Energy: 0.6737957223159351
Energy: 0.6175473270086754
Energy: 0.652713642445243
Energy: 0.6530876916137521
Energy: 0.6388421548555482
Energy: 0.6661005934652359
Energy: 0.6386269457782855
Energy: 0.669029549995195
Energy: 0.6704407596707038
Energy: 0.6705052317355998
Energy: 0.6695601745740224
Energy: 0.6718469098847847
Energy: 0.6701964937779846
Energy: 0.6275262826883995
Energy: 0.6308936817678471
Energy: 0.6316041693311182
Energy: 0.6346497761847654
Energy: 0.6695071788130027
Energy: 0.6313582275934765
Energy: 0.6282906704797294
Energy: 0.6223252271890655
Energy: 0.6302680373216677
Energy: 0.6284368256128375
Energy: 0.6223527634146325
Energy: 0.6302407906632618
Energy: 0.6325652745786229
Energy: 0.6270747316968606
Energy: 0.625924924381169
Energy: 0.6334397011460564
Energy: 0.6243980168725627
Energy: 0.6315267129502594
Energy: 0.6367638311434343
Energy: 0.627438898862412
Energy: 0.6264508445891785
Energy: 0.6582392148694486
Energy: 0.6259736259564999
Energy: 0.6264231746071112
Energy: 0.6907012042891383
Energy: 0.6283591945740523
Energy: 0.6285230525417423
Energy: 0.6912722944403562
Energy: 0.6290064301266661
Energy: 0.6283948035869859
Energy: 0.6296870206611694
Energy: 0.6304415661078461
Energy: 0.6399603702552731
Energy: 0.6410235289180565
Energy: 0.6308480436124303
Energy: 0.6336690452309582
Energy: 0.6763804920469706
Energy: 0.6333845477953802
Energy: 0.6329557790362924
Energy: 0.6702105531123885
Energy: 0.6350112487236631
Energy: 0.6334794553327283
Energy: 0.6701498307628871
Energy: 0.6315518669441254
Energy: 0.6517275171989987
Energy: 0.6702301967524441
Energy: 0.6312689964807172
Energy: 0.6725666087119168
Energy: 0.7720408962825754
Energy: 0.6514134346449929
Energy: 0.650694705768888
Energy: 0.6763156075590933
Energy: 0.6741838989827422
Energy: 0.6528940456125097
Energy: 0.6269829954498677
Energy: 0.7688072743041086
Energy: 0.7685129469125358
Energy: 0.6652522309900121
Energy: 0.7699093842300415
Energy: 0.6740656887779266
Energy: 0.6282737279667642
Energy: 0.7501968256377765
Energy: 0.6661726060197188
Energy: 0.6528355157905175
Energy: 0.7497908874362071
Energy: 0.6526713911612141
Energy: 0.7788415039402339
Energy: 0.7197163196576681
Energy: 0.7156193444206315
Energy: 0.7742148213369683
Energy: 0.7710664677687482
Energy: 0.6812178514990321
Energy: 0.8597143675690395
Energy: 0.66740081016479
Energy: 0.735019077658956
Energy: 0.7727583384104534
Energy: 0.653791690394895
Energy: 0.735160644866119
Energy: 0.8843357620611622
Energy: 0.7024860735054284
Energy: 0.7148217868941906
Energy: 0.7708651862990403
Energy: 0.6678743526433105
Energy: 0.7170994545599269
Energy: 0.6408535849240418
Energy: 0.7505838438254056
Energy: 0.7363280351987274
Energy: 0.6419183419849039
Energy: 0.7722668701020411
Energy: 0.8023258362345048

minimum gb energy = 0.6175473270086754 eV
minimum distance =  2.3377929968326 Angstroms
sigma value = 57


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

Energy: 0.5799468611311102
Energy: 0.7229172579199742
Energy: 0.6628692817128414
Energy: 0.6307508582303825
Energy: 0.9763318770064888
Energy: 0.6576052053036961
Energy: 0.8336116390443038
Energy: 0.7158614429710092
Energy: 0.62139833942648
Energy: 0.7405052966587459
Energy: 0.7348429023165652
Energy: 0.615190228975488
Energy: 0.865651700806687
Energy: 0.6016383250502881
Energy: 0.6013941164465623
Energy: 0.7390149261456002
Energy: 0.6018429383241177
Energy: 0.632085978425548
Energy: 0.7358069649492769
Energy: 0.601638101791708
Energy: 0.6337254243388648
Energy: 0.7359571655059198
Energy: 0.6014822097007091
Energy: 0.6553047546389937
Energy: 0.6743085503050423
Energy: 0.6500078954417229
Energy: 0.629341273969885
Energy: 0.6739947708802131
Energy: 0.6423818668508737
Energy: 0.6293186637441259
Energy: 0.5667484149036839
Energy: 0.6171698532601257
Energy: 0.6007699243991845
Energy: 0.5797182630565991
Energy: 0.6428352756211073
Energy: 0.6010944913491728
Energy: 0.7363172914578512
Energy: 0.6489295425568649
Energy: 0.6433963230803633
Energy: 0.5951215575084051
Energy: 0.6472155167944702
Energy: 0.5975132872653606
Energy: 0.7815575431916989
Energy: 0.5787107291978569
Energy: 0.5784666453666892
Energy: 0.5988411593574327
Energy: 0.5788029179094454
Energy: 0.5897796793531205
Energy: 0.5970081180461161
Energy: 0.5898907688963747
Energy: 0.5970980700697142
Energy: 0.5978759391714447
Energy: 0.6114958022938847
Energy: 0.5947857691176988
Energy: 0.5941025135564735
Energy: 0.5814603341974877
Energy: 0.5808523674843639
Energy: 0.5942342841888406
Energy: 0.5981234237338479
Energy: 0.5808643878060582
Energy: 0.5773482415754208
Energy: 0.5722641825577022
Energy: 0.5792197197112586
Energy: 0.5703868606496226
Energy: 0.572463800607919
Energy: 0.5794657484051926
Energy: 0.5975638757317109
Energy: 0.5794947446925864
Energy: 0.5723569450332316
Energy: 0.5827216332667315
Energy: 0.5760425893225148
Energy: 0.5742832647238568
Energy: 0.5721057130770963
Energy: 0.6165039694436494
Energy: 0.6151143418251329
Energy: 0.5775095124103378
Energy: 0.6192655570083438
Energy: 0.5948876751507591
Energy: 0.5730368376437023
Energy: 0.5764072203472774
Energy: 0.5722173827508579
Energy: 0.5743825312585978
Energy: 0.5853117691992729
Energy: 0.5724865401809728
Energy: 0.5720594997158879
Energy: 0.5746614636863105
Energy: 0.5746394852587828
Energy: 0.5719602104843807
Energy: 0.6018417214375014
Energy: 0.5749159889763295
Energy: 0.6892525854927872
Energy: 0.5945129311253836
Energy: 0.5797931359296863
Energy: 0.6065601503723503
Energy: 0.6036132440407648
Energy: 0.5807927279933968
Energy: 0.6063042805152455
Energy: 0.5949465349377526
Energy: 0.5945388635750014
Energy: 0.5794062511896643
Energy: 0.6007746065323368
Energy: 0.5952420039837552
Energy: 0.5751544645365615
Energy: 0.5977189473324528
Energy: 0.5968186129958594
Energy: 0.6052178820518019
Energy: 0.5986626492995342
Energy: 0.5949109563368052
Energy: 0.6434373099664494
Energy: 0.597559021179659
Energy: 0.6430180924444936
Energy: 0.6445404243515835
Energy: 0.5961104305757489
Energy: 0.6434123045956787
Energy: 0.7305611529093626
Energy: 0.6183794275125659
Energy: 0.5934020732431283
Energy: 0.6504284628725553
Energy: 0.5915170133818491
Energy: 0.6341325210424128
Energy: 0.8086750195287713
Energy: 0.6425129365240755
Energy: 0.6273650318853262
Energy: 0.6431134604618001
Energy: 0.646837030679361
Energy: 0.6510683240007203
Energy: 0.5724526955747827
Energy: 0.7330402313340861
Energy: 0.6229554036467666
Energy: 0.5920203420996785
Energy: 0.7412803654684362
Energy: 0.618722044671834
Energy: 0.6535439219408213
Energy: 0.6941259254466369
Energy: 0.6824432901914852
Energy: 0.6535406780560845
Energy: 0.7358763127675045
Energy: 0.6745125341626078
Energy: 0.8070210479373424
Energy: 0.6425805656956267
Energy: 0.6177529104192078
Energy: 0.7340580107241672
Energy: 0.6504833415856486
Energy: 0.6224665885880505
Energy: 0.8704431351746551
Energy: 0.6199788107417017
Energy: 0.6195555224036104
Energy: 0.7329008769025273
Energy: 0.6202870515881692
Energy: 0.6805249716994763
Energy: 0.8321817008599928
Energy: 0.6839933278865507
Energy: 0.6842746717751174
Energy: 0.7376667976835131
Energy: 0.7101338641903233
Energy: 0.6510032275295291
Energy: 0.5774367265560281
Energy: 0.7069602414350138
Energy: 0.6539396233621809
Energy: 0.603533804741975
Energy: 0.739455682481528
Energy: 0.632203791467758

minimum gb energy = 0.5667484149036839 eV
minimum distance =  2.37973462166043 Angstroms
sigma value = 43


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

Energy: 0.49368029143665104
Energy: 0.5945506693558997
Energy: 0.5842053976860367
Energy: 0.5268467144785697
Energy: 0.6366355645571851
Energy: 0.5609715883553293
Energy: 0.703887716352403
Energy: 0.5219154960738411
Energy: 0.52154000107855
Energy: 0.6340485865518595
Energy: 0.6364618362221939
Energy: 0.5209228675553083
Energy: 0.7040120582068942
Energy: 0.50437459981711
Energy: 0.520605357741721
Energy: 0.6339865111415858
Energy: 0.5043679852461092
Energy: 0.5206479303283716
Energy: 0.6374737338632553
Energy: 0.5205094561795639
Energy: 0.5210418751566099
Energy: 0.6341166529234226
Energy: 0.5458008841190195
Energy: 0.5628067506843565
Energy: 0.5895705445796703
Energy: 0.5390173984691563
Energy: 0.5217505271516752
Energy: 0.5451633821117529
Energy: 0.5665373418423888
Energy: 0.5208682086629954
Energy: 0.478979507665269
Energy: 0.5655783567559018
Energy: 0.512133124893582
Energy: 0.4892211848727192
Energy: 0.5653942249051901
Energy: 0.4996519952791937
Energy: 0.6362235363612726
Energy: 0.5656361483964234
Energy: 0.5655857064366825
Energy: 0.5059376635844894
Energy: 0.5660745629863824
Energy: 0.5018382735192431
Energy: 0.671863675572289
Energy: 0.48571785431655284
Energy: 0.49416197106470755
Energy: 0.5015392635016972
Energy: 0.4857520087946479
Energy: 0.49409192291101944
Energy: 0.5269074763032818
Energy: 0.4939763451671087
Energy: 0.5380207060839824
Energy: 0.5281637658593027
Energy: 0.5399439967908785
Energy: 0.5250680314432518
Energy: 0.5249996011705411
Energy: 0.487483468481572
Energy: 0.4874101422014947
Energy: 0.5249813906161084
Energy: 0.4872887012229988
Energy: 0.48694941755557075
Energy: 0.47485948165782565
Energy: 0.4992316775481553
Energy: 0.4869766503303197
Energy: 0.4792904042056093
Energy: 0.49944560954042405
Energy: 0.48230352984392477
Energy: 0.5250744906745075
Energy: 0.4997118561243411
Energy: 0.499437840485848
Energy: 0.4922292973461675
Energy: 0.49980571149013925
Energy: 0.4923141354603066
Energy: 0.6494533531377257
Energy: 0.49163957769603284
Energy: 0.49493262389371917
Energy: 0.5035938110808493
Energy: 0.4786735092846425
Energy: 0.5113266814261526
Energy: 0.4842533702893446
Energy: 0.47931416028330953
Energy: 0.4847570559438383
Energy: 0.4856276011446548
Energy: 0.49963140217121926
Energy: 0.4843343972768201
Energy: 0.48413585549120947
Energy: 0.4773548552764901
Energy: 0.4769446379665093
Energy: 0.48410046555889263
Energy: 0.47747504584832356
Energy: 0.4801328053286097
Energy: 0.47956135334389327
Energy: 0.4770327352897949
Energy: 0.47814908565004977
Energy: 0.4757298312651827
Energy: 0.47717107429038197
Energy: 0.4752168394685093
Energy: 0.48678115956364143
Energy: 0.47707310603529024
Energy: 0.47690526117720006
Energy: 0.4783664416088957
Energy: 0.4772143374085195
Energy: 0.47897012241642384
Energy: 0.4772408755538844
Energy: 0.4997254382982068
Energy: 0.4895375997410725
Energy: 0.4770897717716607
Energy: 0.4984953792237758
Energy: 0.4886913560280297
Energy: 0.4773391892372522
Energy: 0.48377821881649635
Energy: 0.47725206439730045
Energy: 0.47799159004123176
Energy: 0.507721119805541
Energy: 0.47727959399403314
Energy: 0.5664919394693132
Energy: 0.5018010435004935
Energy: 0.5033714415870285
Energy: 0.6441644292961293
Energy: 0.5019237831597464
Energy: 0.5020669824829684
Energy: 0.5018915555600362
Energy: 0.4843461101580893
Energy: 0.4840577394880489
Energy: 0.4834929673090977
Energy: 0.4845234071026807
Energy: 0.4843630398539872
Energy: 0.4805283420291456
Energy: 0.48424130026638346
Energy: 0.48716918172455626
Energy: 0.4783837972403686
Energy: 0.4843995081285699
Energy: 0.4784472065627259
Energy: 0.4994652237091473
Energy: 0.4811039995491354
Energy: 0.48110576247047615
Energy: 0.4996135255265563
Energy: 0.48152506744631124
Energy: 0.48133423689563154
Energy: 0.4995723804371567
Energy: 0.5030586942356087
Energy: 0.5002926543306613
Energy: 0.5010961280913832
Energy: 0.5249020153022637
Energy: 0.4995484787862368
Energy: 0.6578660806844022
Energy: 0.49649587260711453
Energy: 0.48735845594056926
Energy: 0.5053841108353918
Energy: 0.48206808290067554
Energy: 0.505834838944505
Energy: 0.5694546962145203
Energy: 0.5249719677956831
Energy: 0.5248438019628653
Energy: 0.49554467410849806
Energy: 0.5251236944271733
Energy: 0.4954916087161003
Energy: 0.47706413893208166
Energy: 0.524985660610269
Energy: 0.5020732146276892
Energy: 0.48375778306488215
Energy: 0.5249383910891198
Energy: 0.49071913647170495
Energy: 0.5654932202094957
Energy: 0.5268292007646135
Energy: 0.5021284447221459
Energy: 0.5655795681779877
Energy: 0.5206127435452933
Energy: 0.5027975026931357
Energy: 0.567407887876358
Energy: 0.5060384315837074
Energy: 0.5499797451279478
Energy: 0.5687152213341563
Energy: 0.5205822902835878
Energy: 0.5656051922384702
Energy: 0.693452023824987
Energy: 0.4947885879172863
Energy: 0.5062582734596325
Energy: 0.5518241814954578
Energy: 0.49492923149059076
Energy: 0.5066296611483235
Energy: 0.6925249550675943
Energy: 0.5547547672049055
Energy: 0.552320751887527
Energy: 0.5543318026992329
Energy: 0.5603289872647267
Energy: 0.521371113166104
Energy: 0.4853470507649669
Energy: 0.6338407669985499
Energy: 0.5342343300363271
Energy: 0.49920336523419123
Energy: 0.6338794306219304
Energy: 0.5133837123761111
Energy: 0.6343347269962786
Energy: 0.5635884896946444
Energy: 0.563166529816722
Energy: 0.5504700936655142
Energy: 0.5951196906365217
Energy: 0.5525640469037487
Energy: 0.6921779099525066
Energy: 0.5394654753376189
Energy: 0.5271077070911254
Energy: 0.6342779375648834
Energy: 0.5731356805711113
Energy: 0.5935780112322823
Energy: 0.7039435710874865
Energy: 0.5092952747421332
Energy: 0.5272041828601188
Energy: 0.6339468622925287
Energy: 0.5240949662221969
Energy: 0.5591023180361719
Energy: 0.7039175766353578
Energy: 0.5626295505467099
Energy: 0.5630692864356579
Energy: 0.6345023676309451
Energy: 0.5934721000003749
Energy: 0.5523262111084724

minimum gb energy = 0.47485948165782565 eV
minimum distance =  2.38285109980217 Angstroms
sigma value = 81


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

Energy: 0.23307636573414633
Energy: 0.4160022314094629
Energy: 0.03631593359886759
Energy: 0.03764316232574521
Energy: 0.41721063516565904
Energy: 0.2332770787853447
Energy: 0.4428302219348236
Energy: 0.4155130399428757
Energy: 0.4154033090094474
Energy: 0.480528863730064
Energy: 0.41549434934718327
Energy: 0.4156957437252413
Energy: 0.44089010034704984
Energy: 0.03612373100697912
Energy: 0.036199127683798724
Energy: 0.480089781823232
Energy: 0.03600470580930318
Energy: 0.0699986563677776
Energy: 0.4430309380210936
Energy: 0.03616679411549336
Energy: 0.03602214789693678
Energy: 0.4409995262363858
Energy: 0.03615021925436384
Energy: 0.06875960879671712
Energy: 0.06821164596181425
Energy: 0.4679229973876132
Energy: 0.4679595178824363
Energy: 0.06919246334387429
Energy: 0.46790219164602403
Energy: 0.44655883605049357
Energy: 0.03686973582127659
Energy: 0.4413385224062259
Energy: 0.03645013646858863
Energy: 0.03786093337882329
Energy: 0.4361589581899438
Energy: 0.03616444151562514
Energy: 0.4721703618547183
Energy: 0.4359880496253211
Energy: 0.4360074781752185
Energy: 0.449194794837645
Energy: 0.4364786359369501
Energy: 0.42229900841165374
Energy: 0.47148423083615626
Energy: 0.03605755868907033
Energy: 0.036081903995201926
Energy: 0.4731458360715669
Energy: 0.03599807115553107
Energy: 0.03603674775836156
Energy: 0.4113840348350689
Energy: 0.03627538896642595
Energy: 0.06941791902357575
Energy: 0.45001014015946617
Energy: 0.03611959691779888
Energy: 0.07013649996603841
Energy: 0.23317038811615015
Energy: 0.44810132817359416
Energy: 0.4472877173805805
Energy: 0.03610755366748724
Energy: 0.4474648410667552
Energy: 0.4476503045098118

minimum gb energy = 0.03599807115553107 eV
minimum distance =  2.49307976635393 Angstroms
sigma value = 3


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

Energy: 0.5949981366925892
Energy: 0.590068526951756
Energy: 0.5877893392523135
Energy: 0.5685172700122766
Energy: 0.5901140956222547
Energy: 0.5790884877017288
Energy: 0.6198701595555041
Energy: 0.5987445991005671
Energy: 0.5981035625438943
Energy: 0.5862329966166614
Energy: 0.6005187793516114
Energy: 0.5984097430487548
Energy: 0.6274267680330531
Energy: 0.569019365885962
Energy: 0.5691008109756621
Energy: 0.603508828155607
Energy: 0.569174273888556
Energy: 0.5892490835983857
Energy: 0.5843128532778668
Energy: 0.5693570790271052
Energy: 0.5693027109704566
Energy: 0.5842590368414212
Energy: 0.5229341901627449
Energy: 0.5891200174850931
Energy: 0.5313835198296302
Energy: 0.5969004382435373
Energy: 0.5977416429762519
Energy: 0.5315022998511604
Energy: 0.6005215288995626
Energy: 0.59857325442809
Energy: 0.5661620128290221
Energy: 0.5987803592627038
Energy: 0.5815881600390743
Energy: 0.4941336919322599
Energy: 0.5976043335191499
Energy: 0.5513050630567999
Energy: 0.5860603502695155
Energy: 0.5397161862744273
Energy: 0.5847823977442372
Energy: 0.584270818280265
Energy: 0.5414141506902641
Energy: 0.5895077399995821
Energy: 0.5844627691090516
Energy: 0.5589487926331478
Energy: 0.5590453331912396
Energy: 0.5845381600209971
Energy: 0.5347281767905607
Energy: 0.5420653779959466
Energy: 0.5896164661372505
Energy: 0.5583167487096534
Energy: 0.5911903379674431
Energy: 0.5922749354365204
Energy: 0.49991875801347196
Energy: 0.5917080432661527
Energy: 0.5447777665771619
Energy: 0.5400647040217502
Energy: 0.5395181827008352
Energy: 0.5451559400826216
Energy: 0.5415656471921888
Energy: 0.5489671816029437
Energy: 0.5605282311107967
Energy: 0.5662033634211543
Energy: 0.5664948947977054
Energy: 0.5400503680184291
Energy: 0.5646741392336286
Energy: 0.5407330945510415
Energy: 0.5067333632422791
Energy: 0.5686172761278281
Energy: 0.5661290332623592
Energy: 0.5052617199077023
Energy: 0.5659205846634952
Energy: 0.5044513094910031
Energy: 0.5049010001339944
Energy: 0.529929209184411
Energy: 0.5456477127940871
Energy: 0.5049914119204189
Energy: 0.5294834602457186
Energy: 0.5265320314572342
Energy: 0.5534027619386804
Energy: 0.5210771936038648
Energy: 0.5448926781761041
Energy: 0.5478362040270278
Energy: 0.5216110888084482
Energy: 0.5469407817962239
Energy: 0.5513545148796892
Energy: 0.48238871427290253
Energy: 0.4819557783878702
Energy: 0.5502569293648978
Energy: 0.483420117152409
Energy: 0.4817950747218652
Energy: 0.5502405497535644
Energy: 0.5331034010294895
Energy: 0.5354141778511363
Energy: 0.5328882545864488
Energy: 0.5436181690888066
Energy: 0.5351706913555416
Energy: 0.4742671781898804
Energy: 0.5350196508197528
Energy: 0.5344936316359921
Energy: 0.4721779878575344
Energy: 0.5327023287270489
Energy: 0.47140309162594635
Energy: 0.47397123586662077
Energy: 0.5301959541264312
Energy: 0.5306672078619866
Energy: 0.4738219938618498
Energy: 0.5296632287350457
Energy: 0.5301155065324453
Energy: 0.541782160508225
Energy: 0.5088897781463422
Energy: 0.5296758384557813
Energy: 0.5033349149064927
Energy: 0.5088412951189306
Energy: 0.5302736803079638
Energy: 0.5423241064607117
Energy: 0.47142499786461095
Energy: 0.47106478165985505
Energy: 0.5433220377776075
Energy: 0.4736407156131557
Energy: 0.47092094102064247
Energy: 0.5433298116177172
Energy: 0.5329008239180925
Energy: 0.5354902239316187
Energy: 0.5428468715398475
Energy: 0.549991267916472
Energy: 0.5341221670597813
Energy: 0.49116198383207776
Energy: 0.5328805596306628
Energy: 0.5339012906774212
Energy: 0.4836668095226452
Energy: 0.5330464641193912
Energy: 0.48301167563087133
Energy: 0.482658440132436
Energy: 0.5458466877827128
Energy: 0.5460207952569576
Energy: 0.48264242094857157
Energy: 0.5459225391152988
Energy: 0.5459352331218046
Energy: 0.5546131523417197
Energy: 0.5049852649695858
Energy: 0.5454132267171674
Energy: 0.5358656726405671
Energy: 0.5049568154023466
Energy: 0.53543286814982
Energy: 0.5653325482583613
Energy: 0.5051712910557142
Energy: 0.5048403133713197
Energy: 0.5667616660460734
Energy: 0.5066241939455194
Energy: 0.5045557227906607
Energy: 0.5673750327299742
Energy: 0.5506440933329148
Energy: 0.5507454427152548
Energy: 0.5678871482839603
Energy: 0.5302051744420454
Energy: 0.566103756334887
Energy: 0.5415722005627662
Energy: 0.5504662568619689
Energy: 0.5506812941059641
Energy: 0.5415208849411874
Energy: 0.5715786693081586
Energy: 0.5495890243883219
Energy: 0.5164298101165211
Energy: 0.5936708052332584
Energy: 0.5934889788123459
Energy: 0.5163463939217346
Energy: 0.5915567097566823
Energy: 0.5930476479923078
Energy: 0.56547745553573
Energy: 0.5819105693459703
Energy: 0.5751321943090258
Energy: 0.48325144889004207
Energy: 0.5841423652380854
Energy: 0.5452967204329686
Energy: 0.5393809107136708
Energy: 0.5840399461909006
Energy: 0.5809912024367827
Energy: 0.5391411931769171
Energy: 0.5862001755344548
Energy: 0.5888463546031912
Energy: 0.5962069205697088
Energy: 0.5651141518397933
Energy: 0.5655524953373937
Energy: 0.5813404584698909
Energy: 0.5376839271717145
Energy: 0.565519722060809
Energy: 0.6293630073079127
Energy: 0.5651523560346989
Energy: 0.6014444448427761
Energy: 0.5995700087812537
Energy: 0.510486247774649
Energy: 0.5966429871956365
Energy: 0.5446161405744266
Energy: 0.5841575554230604
Energy: 0.5816534294984934
Energy: 0.5444688625790561
Energy: 0.5861322950997087
Energy: 0.5701187170197132

minimum gb energy = 0.47092094102064247 eV
minimum distance =  2.29912542163803 Angstroms
sigma value = 67


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

Energy: 0.7320027647904721
Energy: 0.7277746697792753
Energy: 0.7242783686354297
Energy: 0.6941886905336521
Energy: 0.7272551507707662
Energy: 0.7206124069549004
Energy: 0.743600476245881
Energy: 0.7265143074375716
Energy: 0.7130659237226212
Energy: 0.7179880343607425
Energy: 0.7263750086232627
Energy: 0.7090348058318092
Energy: 0.7513237690077815
Energy: 0.6909667874355135
Energy: 0.703505554495829
Energy: 0.7169613520631057
Energy: 0.6909276094774872
Energy: 0.7024671991614178
Energy: 0.6925461295931064
Energy: 0.703452476758543
Energy: 0.7036753269280038
Energy: 0.6933378557076537
Energy: 0.6996521648555171
Energy: 0.7028412861354859
Energy: 0.6852457103874877
Energy: 0.7164314186514148
Energy: 0.7090284752046524
Energy: 0.6854794649611753
Energy: 0.7238765330812368
Energy: 0.7089600042285579
Energy: 0.6853201518134793
Energy: 0.7065886349550545
Energy: 0.6908641791976717
Energy: 0.6340517747432938
Energy: 0.7054444013613438
Energy: 0.6899044027046562
Energy: 0.6912817233091539
Energy: 0.6858639945939847
Energy: 0.6796790034132051
Energy: 0.6859428902788548
Energy: 0.6789037803925984
Energy: 0.6823804001293987
Energy: 0.6909219491820993
Energy: 0.6679502900524719
Energy: 0.6685696454024666
Energy: 0.6911350105577291
Energy: 0.6677836505716751
Energy: 0.6792500571890288
Energy: 0.6884749026417708
Energy: 0.6968234751397488
Energy: 0.6951752949109659
Energy: 0.6910806893146498
Energy: 0.6288034973755843
Energy: 0.6995831871759092
Energy: 0.6927534483539876
Energy: 0.6347666952335668
Energy: 0.6287761562623256
Energy: 0.6934804611424598
Energy: 0.6319076416947816
Energy: 0.6445232067358462
Energy: 0.6890998178656524
Energy: 0.6697809160851731
Energy: 0.6697325188223785
Energy: 0.5992806253788233
Energy: 0.6768830088302922
Energy: 0.669411263126364
Energy: 0.5978267370550149
Energy: 0.6713210457331455
Energy: 0.6701353891419771
Energy: 0.5979133570653247
Energy: 0.6441047538384632
Energy: 0.597028279942901
Energy: 0.5972474657989676
Energy: 0.6611356195743261
Energy: 0.6635046385890725
Energy: 0.5970102173865294
Energy: 0.6011622043648069
Energy: 0.5967580892099094
Energy: 0.6736997638306998
Energy: 0.6608910353926593
Energy: 0.663133376201936
Energy: 0.5993765170545287
Energy: 0.6733971831495199
Energy: 0.6626021116807076
Energy: 0.673340439593181
Energy: 0.6013784318067936
Energy: 0.5971019064781649
Energy: 0.6739595334626053
Energy: 0.5982695030953199
Energy: 0.5966556404685908
Energy: 0.6726023886508092
Energy: 0.6695966082037834
Energy: 0.6727836713296808
Energy: 0.6720785450967165
Energy: 0.6442825840432799
Energy: 0.6699454044677637
Energy: 0.6359742009054734
Energy: 0.658604615093331
Energy: 0.6626415391646476
Energy: 0.6367610107568183
Energy: 0.6589545817691508
Energy: 0.6319024265603176
Energy: 0.6295217258190476
Energy: 0.6955571299119108
Energy: 0.6977557563655739
Energy: 0.6297271143399804
Energy: 0.6947644121434072
Energy: 0.6290400144381134
Energy: 0.6722206935361846
Energy: 0.6924241240354112
Energy: 0.6770902902335652
Energy: 0.6085125889172027
Energy: 0.6883969130138563
Energy: 0.6771462223078266
Energy: 0.6779389846851087
Energy: 0.6848283447048892
Energy: 0.679170145106978
Energy: 0.6778350105583819
Energy: 0.6870302007832497
Energy: 0.6955564223997317
Energy: 0.6842153534641582
Energy: 0.7024187818135442
Energy: 0.7015775594496141
Energy: 0.6847086623373444
Energy: 0.6754226314276052
Energy: 0.7008193907374137
Energy: 0.7514459067395662
Energy: 0.6747430640310569
Energy: 0.7012419418662637
Energy: 0.7168996701371132
Energy: 0.6748924679942844
Energy: 0.7012884997163487
Energy: 0.7154060653220731
Energy: 0.6911484282140964
Energy: 0.6813144284427247
Energy: 0.716312764641498
Energy: 0.6871900720783835
Energy: 0.6783885331423547

minimum gb energy = 0.5966556404685908 eV
minimum distance =  2.31484685982946 Angstroms
sigma value = 33


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

Energy: 0.8497261051977205
Energy: 0.8228825769027349
Energy: 0.8562251794234879
Energy: 0.7926293967347963
Energy: 0.8202653376660515
Energy: 0.806618781437941
Energy: 0.8453150625451565
Energy: 0.8149215918582615
Energy: 0.8058168884518576
Energy: 0.8084809964237017
Energy: 0.8124120171268432
Energy: 0.8029455805061659
Energy: 0.8653398189952888
Energy: 0.79559099564815
Energy: 0.7955429360408844
Energy: 0.8113765808507588
Energy: 0.7763014695004712
Energy: 0.795211062377445
Energy: 0.8126925133868365
Energy: 0.7956239756717531
Energy: 0.7954266288864952
Energy: 0.8122558663980237
Energy: 0.7782656914606653
Energy: 0.7952685377244774
Energy: 0.7485852526281342
Energy: 0.8023604479553901
Energy: 0.8066971920740499
Energy: 0.7484992532185074
Energy: 0.8133115518443348
Energy: 0.8035627707170323
Energy: 0.7885994936966537
Energy: 0.7997646940449746
Energy: 0.8010431015014897
Energy: 0.6797624640795474
Energy: 0.7974654471897001
Energy: 0.7614952453670892
Energy: 0.749077865445198
Energy: 0.7462005584228786
Energy: 0.7477945154856558
Energy: 0.749221591166419
Energy: 0.7457115704508918
Energy: 0.7423631477717207
Energy: 0.7521715068290653
Energy: 0.7108408137865431
Energy: 0.7647208493564706
Energy: 0.7515673775837075
Energy: 0.6860026408779356
Energy: 0.7416253388286489
Energy: 0.7630220822184305
Energy: 0.7653473849126884
Energy: 0.7642733071343131
Energy: 0.7383854537734456
Energy: 0.6834575358773345
Energy: 0.7647347310031655
Energy: 0.7638764411343139
Energy: 0.6878145633317945
Energy: 0.6824179828957129
Energy: 0.764941422026935
Energy: 0.6835707056313051
Energy: 0.6823222962730647
Energy: 0.7639281834602882
Energy: 0.7477469716273936
Energy: 0.7467410409963289
Energy: 0.686335784214387
Energy: 0.7241795830461869
Energy: 0.7479872232588104
Energy: 0.6824794582854906
Energy: 0.7084537223129227
Energy: 0.7461191925764796
Energy: 0.6825480873195023
Energy: 0.7436288900596959
Energy: 0.6823992138685695
Energy: 0.6825190819068497
Energy: 0.7638434494576812
Energy: 0.7457947093997154
Energy: 0.6825771415319175
Energy: 0.7653142918527477
Energy: 0.6826435496984696
Energy: 0.7709491859395122
Energy: 0.7638781984366794
Energy: 0.7638826798275924
Energy: 0.6673924840638963
Energy: 0.7637222213061573
Energy: 0.7438520001228572
Energy: 0.772606456269514
Energy: 0.7552413888078932
Energy: 0.7418655705654772
Energy: 0.7737764695575673
Energy: 0.7513371666081636
Energy: 0.7419734541031725
Energy: 0.8032531113467662
Energy: 0.77914015817357
Energy: 0.7785352678269516
Energy: 0.8050527915015392
Energy: 0.6980753802345679
Energy: 0.7430358383732718
Energy: 0.8663076395361181
Energy: 0.7438360418809232
Energy: 0.778161192004988
Energy: 0.8111367018855381
Energy: 0.7022298778960593
Energy: 0.778209485792359
Energy: 0.847739452881998
Energy: 0.7422704972521513
Energy: 0.7431496398602321
Energy: 0.8108275407508766
Energy: 0.7476182025520012
Energy: 0.791288905578946
Energy: 0.8024133535301209
Energy: 0.8115404176444098
Energy: 0.8154055580029034
Energy: 0.6966503900022152
Energy: 0.8117775811343523
Energy: 0.7762092716307163
Energy: 0.7901080598041447
Energy: 0.8087441464134542
Energy: 0.805901393703429
Energy: 0.7902825555527092
Energy: 0.8134899376683674
Energy: 0.8036145374974932
Energy: 0.8652928192328652
Energy: 0.79463433270654
Energy: 0.7949451221446437
Energy: 0.8121750217522961
Energy: 0.7897261452854236
Energy: 0.7951923283996974
Energy: 0.8125972577301601
Energy: 0.7956882134730355
Energy: 0.7955515554575869
Energy: 0.8110299448482989
Energy: 0.7764602048137972
Energy: 0.7952705206531389
Energy: 0.7487578845426288
Energy: 0.805733979639134
Energy: 0.8026830515113005
Energy: 0.7484881515755948
Energy: 0.812106493328785
Energy: 0.8033290644087783
Energy: 0.7887616942362448
Energy: 0.7957583576841026
Energy: 0.80033299097896
Energy: 0.6823384199169764
Energy: 0.7955156619646944
Energy: 0.7603177489144763
Energy: 0.749119668363018
Energy: 0.8016644484272526
Energy: 0.7479186204015611
Energy: 0.7492731491886445
Energy: 0.8029636315987131
Energy: 0.7423468542479487
Energy: 0.7520265730341616
Energy: 0.7356298447338502
Energy: 0.7645342292040307
Energy: 0.7519156828073653
Energy: 0.6865217625509538
Energy: 0.7416045747474
Energy: 0.7629505745361801
Energy: 0.7378650413160033
Energy: 0.7638664984582693
Energy: 0.7649306413080056
Energy: 0.7425335071421891
Energy: 0.765991730861592
Energy: 0.7630406408245658
Energy: 0.6832655240028565
Energy: 0.6824421787462316
Energy: 0.7646269417541858
Energy: 0.6845239574016136
Energy: 0.6823217533373824
Energy: 0.7644230986080545
Energy: 0.7270786497187973
Energy: 0.7467912927921628
Energy: 0.6862977683008643
Energy: 0.7234216669684017
Energy: 0.746673877018216
Energy: 0.6822872455679082
Energy: 0.7456448515670148
Energy: 0.7463316368082977
Energy: 0.6823567014995476
Energy: 0.7434766919668713
Energy: 0.6834126552381785
Energy: 0.6835342631788461
Energy: 0.7633979930921195
Energy: 0.7308058068686778
Energy: 0.6830786408954848
Energy: 0.7641000849954893
Energy: 0.6825535057019733
Energy: 0.7710823131287958
Energy: 0.7641986505979597
Energy: 0.7642142690180062
Energy: 0.6685583602950479
Energy: 0.7638178421324383
Energy: 0.7437482523870036
Energy: 0.7764571830946518
Energy: 0.7484074429648251
Energy: 0.7418493154718964
Energy: 0.7713086932984798
Energy: 0.7522341133759486
Energy: 0.741789647334006
Energy: 0.7370113269302273
Energy: 0.758593067152471
Energy: 0.7410758974956393
Energy: 0.7406837198242575
Energy: 0.697790063766965
Energy: 0.7409622333917534
Energy: 0.8794584790649194
Energy: 0.7479253133814349
Energy: 0.7784687868417028
Energy: 0.8110912528307442
Energy: 0.662383331732993
Energy: 0.7784147727662486
Energy: 0.8600112644215754
Energy: 0.7428883363418631
Energy: 0.792831822625014
Energy: 0.8111181022105052
Energy: 0.7480516879557124
Energy: 0.7925790301096758
Energy: 0.8026159224231069
Energy: 0.8113880193202218
Energy: 0.8159796144856689
Energy: 0.7010375421872477
Energy: 0.8122620139094541
Energy: 0.776164368930207

minimum gb energy = 0.662383331732993 eV
minimum distance =  2.3245775577071 Angstroms
sigma value = 41


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

Energy: 0.9638135111275712
Energy: 0.8358748124933263
Energy: 0.9736477371160291
Energy: 0.7931056967275523
Energy: 0.8358211703414269
Energy: 0.9767668835425385
Energy: 0.9633568597146321
Energy: 0.8389316226879188
Energy: 0.8361446620673756
Energy: 0.8352166871239973
Energy: 0.8383006705088184
Energy: 0.8126840390181106
Energy: 0.969532681329375
Energy: 0.7937406018762863
Energy: 0.79129429773084
Energy: 0.8369050099961017
Energy: 0.8221902349958103
Energy: 0.7933486829503082
Energy: 0.8388644856110277
Energy: 0.8225141120323722
Energy: 0.7918251505527112
Energy: 0.8392697165550884
Energy: 0.8210184611252582
Energy: 0.8213761677495446
Energy: 0.8208505599852537
Energy: 0.8354548483366688
Energy: 0.8122340709335707
Energy: 0.8207459480737557
Energy: 0.8373612132663488
Energy: 0.7956077735098565
Energy: 0.8426586201307706
Energy: 0.8134296028208626
Energy: 0.8125442124886246
Energy: 0.8227969336955648
Energy: 0.8481009702933326
Energy: 0.7952787352288175
Energy: 0.8191584468243149
Energy: 0.8249768466802219
Energy: 0.7990165659080365
Energy: 0.8193318665854132
Energy: 0.82462447327837
Energy: 0.8004822396092304
Energy: 0.8219562244626781
Energy: 0.7957962028326816
Energy: 0.7958573067329721
Energy: 0.8213460231818418
Energy: 0.8253587680568867
Energy: 0.8001970762700914
Energy: 0.8800784544505568
Energy: 0.8254988918239485
Energy: 0.7961036445770316
Energy: 0.8644902569064474
Energy: 0.8431758779525989
Energy: 0.7956827534722384
Energy: 0.846082623034669
Energy: 0.8250062137304705
Energy: 0.8253648546167092
Energy: 0.8342218084816163
Energy: 0.821163615272016
Energy: 0.7955727594074494
Energy: 0.8498392965743709
Energy: 0.8361496113653923
Energy: 0.8378358197745487
Energy: 0.8370844446854319
Energy: 0.7796800502875412
Energy: 0.8115801190240154
Energy: 0.9685002306931851
Energy: 0.7793859686927
Energy: 0.7791804409747154
Energy: 0.8367970794873937
Energy: 0.779863957432141
Energy: 0.7793720121218233
Energy: 0.9663754947023346
Energy: 0.8201961179023072
Energy: 0.812497149490752
Energy: 0.8372145252377572
Energy: 0.8237002166684865
Energy: 0.8140538126332095
Energy: 0.7787023053322958
Energy: 0.8370187810977303
Energy: 0.7791791063133506
Energy: 0.7833677806538106
Energy: 0.837380807369883
Energy: 0.7804500089369261

minimum gb energy = 0.7787023053322958 eV
minimum distance =  2.36279625091202 Angstroms
sigma value = 11


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

Energy: 1.4040083293316996
Energy: 0.9306895224362369
Energy: 0.9335875730873338
Energy: 0.9569158194043886
Energy: 0.9619955874522376
Energy: 1.0259044546021725
Energy: 1.087686262100213
Energy: 0.9351863903313827
Energy: 0.9476415639319564
Energy: 0.9483955055629132
Energy: 0.9341255601498409
Energy: 0.9484838854004737
Energy: 1.087436181154548
Energy: 0.9228494393519183
Energy: 0.9229839501626927
Energy: 0.934329002160903
Energy: 0.9227789210574717
Energy: 0.9434922039228558
Energy: 0.9724574719805616
Energy: 0.939567683847882
Energy: 0.9402650724816138
Energy: 0.9432058144491979
Energy: 0.9405530812046996
Energy: 0.9433392957535728
Energy: 0.9714547070900885
Energy: 0.9348277289249234
Energy: 0.9479411118229815
Energy: 0.9478986723909982
Energy: 0.9361994948829464
Energy: 0.9481260583639715
Energy: 0.9735927349870949
Energy: 0.93766054054913
Energy: 0.9373385479264021
Energy: 0.9477097560676189
Energy: 0.9465014809197506
Energy: 0.9374030971505678
Energy: 0.9473152616893157
Energy: 0.9376198510257545
Energy: 0.9381623456646326
Energy: 0.9471199553035835
Energy: 0.9232919219319425
Energy: 0.9385523595036956
Energy: 0.9474041646640005
Energy: 0.9481216913040814
Energy: 0.9473030222786009
Energy: 0.9344423546560311
Energy: 0.9328713795223147
Energy: 0.947883415740735
Energy: 0.93391001802865
Energy: 0.9443839833531187
Energy: 0.9436483602360451
Energy: 0.9201287042926443
Energy: 0.9436310666710664
Energy: 0.9437009515832497
Energy: 0.9728453093660504
Energy: 0.9445914895216103
Energy: 0.9434147568249074
Energy: 0.934913508504938
Energy: 0.9436374345349811
Energy: 0.9436450751697778
Energy: 0.9469059158827414
Energy: 0.9459866771417008
Energy: 0.94764340968415
Energy: 0.9345264169399304
Energy: 0.9370341303579108
Energy: 0.9477590861334918
Energy: 0.9975497283821778
Energy: 0.944035855233521
Energy: 0.9558898592929326
Energy: 0.9346842572667791
Energy: 0.9227180349702195
Energy: 0.9360862054859909
Energy: 0.9329780539461631
Energy: 0.9401759587142877
Energy: 0.9399527978599526
Energy: 0.9334215006987974
Energy: 0.9504750219573851
Energy: 0.9394155945930656
Energy: 0.946743722561685
Energy: 0.947481099867966
Energy: 0.9462004874384603
Energy: 0.9363437339678046
Energy: 0.9357473815479904
Energy: 0.9262414659480817
Energy: 0.9328777282280706
Energy: 0.940186142551864
Energy: 0.9403230939990839
Energy: 0.9322538743499775
Energy: 0.9402945320847002
Energy: 0.9395669039009911
Energy: 0.9247060311801091
Energy: 0.9402731710840997
Energy: 0.9406976696327437
Energy: 0.9257555687883544
Energy: 0.9400129216624359
Energy: 0.9424990125986222
Energy: 0.9246473846388835
Energy: 0.9408226586106736
Energy: 0.9406210825660911
Energy: 0.9248483320421176
Energy: 0.9401146040717143
Energy: 0.941057579890735
Energy: 0.9572102706470343
Energy: 0.938918140354337
Energy: 0.9392646596202937
Energy: 0.9504053234761096
Energy: 0.9658425243904314
Energy: 0.9310104326232942
Energy: 0.9380517472019748
Energy: 0.9431091131184393
Energy: 0.9425703914597584
Energy: 0.9382456716686246
Energy: 0.9424203860903143
Energy: 0.9435207990566489
Energy: 0.9484631507664417
Energy: 0.9229185423284466
Energy: 0.9229870894320475
Energy: 0.9425410686205783
Energy: 0.9225966344886041
Energy: 0.9409171752256079
Energy: 1.004946652850197
Energy: 0.9435799728042753
Energy: 0.934397103282732
Energy: 0.9426206156301841
Energy: 0.9426545371487667
Energy: 0.940386214544679
Energy: 0.9694115253522197
Energy: 0.9444418774959392
Energy: 0.9443545732222514
Energy: 0.9511504223092953
Energy: 0.9424803212311682
Energy: 0.9421865277412531
Energy: 0.9507552305067122
Energy: 0.9446246120000193
Energy: 0.9424328939737755
Energy: 0.9222627859980325
Energy: 0.9436522768402492
Energy: 0.9468595669592532
Energy: 1.0027116608759516
Energy: 0.9373501842046824
Energy: 0.9308017048865072
Energy: 0.943298069240904
Energy: 0.938038751384899
Energy: 0.9427709881879953
Energy: 1.007932275790453
Energy: 0.9393349933862583
Energy: 0.9338826710295073
Energy: 0.9778857632559783
Energy: 0.9484000541165966
Energy: 0.9330154418714797
Energy: 0.9854482868860434
Energy: 0.9286521245841936
Energy: 0.9412669244850271
Energy: 0.9404484759105841
Energy: 0.9283633216668923
Energy: 0.9404910314599046
Energy: 0.9834986533475415
Energy: 0.9245952897121359
Energy: 0.9410316454313625
Energy: 0.9400297190751697
Energy: 0.9262633127093914
Energy: 0.9401999297250525
Energy: 0.9835005237604952
Energy: 0.9522154529567275
Energy: 0.9414518069996137
Energy: 0.940725062051267
Energy: 0.9369157547365492
Energy: 0.9403647320459817
Energy: 1.0905955346385274
Energy: 0.9218862443688569
Energy: 0.9217799844741709
Energy: 1.0090366850361991
Energy: 0.9462002402972932
Energy: 0.9343642421796488
Energy: 1.087218754616222
Energy: 0.940707317078153
Energy: 0.9396175667451918
Energy: 0.9675760637009421
Energy: 0.9334969858019978
Energy: 0.9399416872043329
Energy: 0.9659126937204356
Energy: 0.9362477753176409
Energy: 0.9393754843522876
Energy: 0.9215263459158615
Energy: 0.9350948612201001
Energy: 0.9656673916619136

minimum gb energy = 0.9201287042926443 eV
minimum distance =  2.32571706492068 Angstroms
sigma value = 57


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

Energy: 1.2480180524028555
Energy: 0.9566981045933199
Energy: 1.0395314557672377
Energy: 1.0562485034737061
Energy: 1.318708198095706
Energy: 1.039021325145281
Energy: 1.0251530798665724
Energy: 0.9659435006412376
Energy: 0.9695872681490842
Energy: 0.9636731189447588
Energy: 0.958348724423885
Energy: 0.9638920754383917
Energy: 1.0245276531206369
Energy: 0.9878038144311274
Energy: 0.9894658270360629
Energy: 0.9958225187384259
Energy: 0.9486386623277905
Energy: 0.9999809184153412
Energy: 0.9557109974427637
Energy: 0.9632468459282209
Energy: 0.9646686482837632
Energy: 0.9565695858012178
Energy: 0.9533714416283882
Energy: 0.9694812081903948
Energy: 0.9548160265667743
Energy: 0.9658423902821967
Energy: 0.9694262480984279
Energy: 0.9608459767360951
Energy: 0.9619640978730088
Energy: 0.9688678637107744
Energy: 0.9568479735277822
Energy: 0.9993142629107442
Energy: 0.9999042056902567
Energy: 0.9608494817535064
Energy: 1.0097515105070225
Energy: 0.999043989339744
Energy: 1.0090159505849057
Energy: 0.9483297310859439
Energy: 0.9528628489618493
Energy: 1.006970916074477
Energy: 0.9416623951199647
Energy: 0.9985407988663118
Energy: 1.0252136470731787
Energy: 0.9615561446572478
Energy: 0.9626020814057975
Energy: 0.9587003060897646
Energy: 0.9598309257329215
Energy: 0.9663504080481352
Energy: 0.9523475241572054
Energy: 0.9968135822175492
Energy: 1.0279377627255866
Energy: 0.9656551885205757
Energy: 0.9958934988295083
Energy: 0.9387103344837463
Energy: 0.9525472968812214
Energy: 0.9968561118294579
Energy: 1.0276691496286934
Energy: 0.965945375395923
Energy: 0.9967694869231187
Energy: 0.9542512960946191
Energy: 1.0264171766528905
Energy: 0.9617435160278935
Energy: 0.9619846970376775
Energy: 0.9608740558868678
Energy: 0.9603815281055936
Energy: 0.9634543786192811
Energy: 0.9995900964798681
Energy: 0.9905317359251435
Energy: 0.9909803204648923
Energy: 0.9968063139664007
Energy: 0.9916458196316095
Energy: 1.0009194087443178
Energy: 0.9557340619672071
Energy: 0.9652151041941672
Energy: 0.9652351078609804
Energy: 0.9564701183983331
Energy: 0.9560990194712008
Energy: 0.9696692452749165
Energy: 0.956546081072264
Energy: 0.9962122340830238
Energy: 0.9987139678342071
Energy: 0.9609284141231111
Energy: 0.9966414721261206
Energy: 0.9982536944468463
Energy: 0.9792098302862093
Energy: 0.9511243946062558
Energy: 0.9676425809555298
Energy: 0.9620942053070007
Energy: 0.9389629579896658
Energy: 0.9689848909604452
Energy: 1.024106166358669
Energy: 0.9516230607829442
Energy: 0.9587878097020665
Energy: 0.9967593971021507
Energy: 0.9399213454409387
Energy: 0.9676604451017232
Energy: 0.9524642137230455
Energy: 0.9646450113357524
Energy: 0.9702670737233143
Energy: 0.9618161015063768
Energy: 0.9548292966155716
Energy: 0.9643221474575776

minimum gb energy = 0.9387103344837463 eV
minimum distance =  2.32735733685187 Angstroms
sigma value = 9


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

Energy: 1.509345779427019
Energy: 0.9829663378069905
Energy: 1.05501548872091
Energy: 1.0106582583413497
Energy: 0.983201339493009
Energy: 1.0062957868776465
Energy: 1.0765858284553584
Energy: 0.9837028631221537
Energy: 0.995392762226757
Energy: 1.000805423769442
Energy: 0.9833105853690156
Energy: 0.9963623140276832
Energy: 1.028368523906757
Energy: 0.9947401178344072
Energy: 1.0150917047714896
Energy: 1.0310503470773906
Energy: 0.9993277140978386
Energy: 1.0155099105039422
Energy: 1.01429794708252
Energy: 1.003338150568465
Energy: 1.0020277950408385
Energy: 1.0096673968323824
Energy: 1.0009790481619898
Energy: 1.001977630554123
Energy: 1.0115396926707423
Energy: 0.9811561167753213
Energy: 0.9822748274734515
Energy: 0.9794889798727056
Energy: 0.9822064088679227
Energy: 0.9794965976805063
Energy: 1.0110643101841301
Energy: 0.9921131573150954
Energy: 0.9900490556840867
Energy: 0.9958346711123347
Energy: 0.9957336424844867
Energy: 0.9897428585629552
Energy: 1.0090505031530492
Energy: 1.0494564449945551
Energy: 1.0389889028375616
Energy: 0.9829197170172782
Energy: 1.0522355014680507
Energy: 0.9992905963475023
Energy: 1.041192549511998
Energy: 1.0048923360889517
Energy: 0.9939053118822616
Energy: 0.9865890093411379
Energy: 1.0071477861427296
Energy: 0.9937064262913768
Energy: 1.1165175223341428
Energy: 0.980333423089914
Energy: 0.9815774987554357
Energy: 0.9996560314929744
Energy: 0.9799498306936673
Energy: 0.9962976667164846
Energy: 1.109341385718498
Energy: 0.981131955909819
Energy: 0.9835837176523204
Energy: 1.001763553574695
Energy: 0.9815560189162188
Energy: 0.9853223723774462
Energy: 1.0421309423993195
Energy: 0.9937953800798016
Energy: 0.9904600887234413
Energy: 0.9795939705026933
Energy: 0.9851938233106012
Energy: 0.9860626967623786
Energy: 1.0423673710319232
Energy: 0.996390700433517
Energy: 0.9978866521998833
Energy: 0.9791627912123567
Energy: 1.0071133982938
Energy: 0.9965059294760579
Energy: 1.1383512155086692
Energy: 1.0254474818514452
Energy: 0.9948672197136044
Energy: 0.9908803627415206
Energy: 0.9946699343477927
Energy: 0.9862281048933424
Energy: 1.1259740493288828
Energy: 0.9966276109069351
Energy: 0.9990045480593899
Energy: 1.0905702460226814
Energy: 1.0320292981435573
Energy: 0.9991707653213026
Energy: 1.0555378161222744
Energy: 0.9929524959811552
Energy: 0.9911128445565626
Energy: 0.9803220752874992
Energy: 0.9960242085183122
Energy: 0.9795622568032645
Energy: 1.0290904058246246
Energy: 0.9975235318102729
Energy: 1.0041009440817936
Energy: 0.9839794650065732
Energy: 0.9991389135906835
Energy: 0.9819874273095375
Energy: 1.071766945645639
Energy: 1.0048260205417783
Energy: 1.0036228394066804
Energy: 1.0137890375912944
Energy: 1.00032750101884
Energy: 1.0029750682025924
Energy: 1.0853056649160804
Energy: 1.030813455458051
Energy: 1.0304420044317804
Energy: 1.029044517173365
Energy: 1.0265055869953394
Energy: 1.0309743499873714
Energy: 1.0427734198438523
Energy: 0.9997779118118743
Energy: 0.9968901706182921
Energy: 0.9978060660016506
Energy: 1.0031984013134656
Energy: 0.995542055841438
Energy: 1.0398444071854407
Energy: 0.999847678278587
Energy: 0.9981814490732195
Energy: 1.033745181085953
Energy: 1.0030698162281522
Energy: 0.9958819511958915
Energy: 1.0844792585961622
Energy: 1.0003326581494252
Energy: 0.9991896592698715
Energy: 1.0076811876333542
Energy: 0.9818335798269783
Energy: 0.9995840293280616

minimum gb energy = 0.9791627912123567 eV
minimum distance =  2.26784515574467 Angstroms
sigma value = 27


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

Energy: 1.3725453841922512
Energy: 1.3951576618411894
Energy: 0.9694100822930706
Energy: 0.9814162382089969
Energy: 1.3949062876112204
Energy: 0.9707056330674395
Energy: 1.131598437160256
Energy: 0.994146030594398
Energy: 0.9809042034268202
Energy: 0.9970324009089558
Energy: 1.0052897870264415
Energy: 0.9606840149186958
Energy: 1.0246776613454658
Energy: 0.9740144450141102
Energy: 0.9777668260058804
Energy: 0.9737367357915625
Energy: 0.9597145973905655
Energy: 1.0132568436572709
Energy: 0.9979860935334689
Energy: 0.9764245508701793
Energy: 0.965856323358383
Energy: 0.9733096438422008
Energy: 0.9707578565987783
Energy: 0.969490339071314
Energy: 0.9653619026892112
Energy: 0.9595982339662245
Energy: 0.9588112346868166
Energy: 0.96626113142426
Energy: 0.9599330051772399
Energy: 0.9588434550426636
Energy: 1.0020883943648748
Energy: 0.9641329388911816
Energy: 0.9643033367355058
Energy: 0.9764143577561244
Energy: 0.9642123062281149
Energy: 0.964460394768338
Energy: 1.0253214775901722
Energy: 0.9583787878810358
Energy: 0.9639033208678924
Energy: 0.9602535172810005
Energy: 0.96014646199244
Energy: 0.9618767655492495
Energy: 1.0547162423104668
Energy: 0.9701440684775696
Energy: 0.9581786164040598
Energy: 0.9694764714813771
Energy: 0.9707289454215571
Energy: 0.9590309287658614
Energy: 1.1688852180812748
Energy: 0.9637562025588259
Energy: 0.9665234768432649
Energy: 0.9582380954274407
Energy: 0.977980671940915
Energy: 0.9651958552715199
Energy: 1.1674312362138677
Energy: 0.9777079584755752
Energy: 0.956585970618484
Energy: 0.9682109540487566
Energy: 0.9828234692004405
Energy: 0.9739359034899608
Energy: 1.056418179761386
Energy: 0.9586874561277775
Energy: 0.9593204827815502
Energy: 0.9578639026159937
Energy: 0.9614437593224223
Energy: 0.9592043304315726
Energy: 1.0518725155088404
Energy: 0.9791312868231701
Energy: 0.9785539915052218
Energy: 0.9916560011206462
Energy: 0.9802987597936244
Energy: 0.9789893068851052
Energy: 1.0584209100307185
Energy: 0.9710942634053853
Energy: 0.9706154306443786
Energy: 0.9810111478701576
Energy: 0.9839008812073003
Energy: 0.9698695588929876
Energy: 1.0521869799007084
Energy: 0.9703380182495557
Energy: 0.9742951047379681
Energy: 0.9800431949601753
Energy: 0.9705126952930725
Energy: 0.9741744537931541
Energy: 1.0182106260193156
Energy: 0.9767118878524714
Energy: 0.9756814443710387
Energy: 0.9895877212655569
Energy: 0.9703911029980288
Energy: 0.9773628538265909
Energy: 1.0091624859881372
Energy: 0.9671990976986253
Energy: 0.9683188684578172
Energy: 0.9809747641433465
Energy: 0.9837644659842519
Energy: 0.9683623766168803
Energy: 0.9660830041558689
Energy: 0.9635897511767645
Energy: 0.9674426341303431
Energy: 0.9621571762262905
Energy: 0.9680721875928554
Energy: 0.9706859190603292
Energy: 1.0030253269319283
Energy: 0.9684482707336537
Energy: 0.9660382126914676
Energy: 0.9649329739960498
Energy: 0.9647592486059422
Energy: 0.9649745961078586
Energy: 1.0128643875325438
Energy: 0.9611222427049065
Energy: 0.960139254640027
Energy: 0.9955684005160098
Energy: 0.9692619196557818
Energy: 0.9595512773670279
Energy: 1.0298162215153837
Energy: 0.9615816238758247
Energy: 0.9597208958593246
Energy: 0.96323272816702
Energy: 0.9691925113603144
Energy: 0.9597849506015158
Energy: 1.157515600414134
Energy: 0.9662980038141581
Energy: 0.9597076899079107
Energy: 0.9645794553021857
Energy: 0.9748849505223908
Energy: 0.9657472127626204
Energy: 0.9641557488553999
Energy: 0.972388106457015
Energy: 0.9631973223220415
Energy: 0.9603294786624843
Energy: 0.9789222769176142
Energy: 0.9628500080215059
Energy: 1.0567995418878515
Energy: 0.9855345109182482
Energy: 0.959357973606014
Energy: 0.9579462255912646
Energy: 0.9840632384838187
Energy: 0.9593159456184946
Energy: 1.1431124810882505
Energy: 0.9737377188048684
Energy: 0.9743786266637504
Energy: 0.9669446121848781
Energy: 0.9715303908905841
Energy: 0.9656613060797994
Energy: 1.010553937227723
Energy: 0.9723847066932677
Energy: 0.9641652205178938
Energy: 0.9611678708355655
Energy: 0.9644135919986014
Energy: 0.9513472910384021

minimum gb energy = 0.9513472910384021 eV
minimum distance =  2.26979484029703 Angstroms
sigma value = 19


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

Energy: 1.4477644430925893
Energy: 1.0447184590061604
Energy: 1.0028404500880415
Energy: 0.9186666934736336
Energy: 1.0035458776834452
Energy: 1.0019455638395551
Energy: 1.032903277981897
Energy: 0.9609787415551868
Energy: 0.9359644475074651
Energy: 0.936376259862911
Energy: 0.9602218555291517
Energy: 0.9359395647802559
Energy: 1.0317528608207116
Energy: 0.9370068068769204
Energy: 0.9364137564796687
Energy: 0.9376365566018982
Energy: 0.9353921423814132
Energy: 0.9371693821142214
Energy: 0.9847488163792049
Energy: 0.9362361772174549
Energy: 0.9365672988489924
Energy: 0.952341283910896
Energy: 0.9507789315842153
Energy: 0.9362807636071996
Energy: 0.9560002488165711
Energy: 0.9363098847670828
Energy: 0.9376427184412764
Energy: 0.9459558266970988
Energy: 0.9362720039744182
Energy: 0.9360434188607756
Energy: 0.9699863695960389
Energy: 0.9361978639791119
Energy: 0.9745289375609402
Energy: 0.9488328976514977
Energy: 0.9362009319812776
Energy: 0.9374737964760422
Energy: 1.020800108436484
Energy: 0.9548849240214511
Energy: 0.9539503488275474
Energy: 0.9614495610327339
Energy: 0.9551055098901615
Energy: 0.9387453008315165
Energy: 0.9675990512859275
Energy: 0.9332696606259209
Energy: 0.9367681895060982
Energy: 0.9641636948818829
Energy: 0.9343236676611434
Energy: 0.9368005101866926
Energy: 0.9485800018167087
Energy: 0.936849878720726
Energy: 0.9398007774378742
Energy: 0.9461031692827979
Energy: 0.9364330511075807
Energy: 0.9390030093029017
Energy: 0.9515730013928385
Energy: 0.9472520865438618
Energy: 0.9475980217568578
Energy: 0.9499124561247636
Energy: 0.9466836569023453
Energy: 0.9464596879643029
Energy: 1.0340954925694152
Energy: 0.9228946191795826
Energy: 0.9226000384344718
Energy: 0.9274298145697433
Energy: 0.9243784725114172
Energy: 0.9237221467884352
Energy: 1.0433371204367914
Energy: 0.9322514636446941
Energy: 0.9210567976084865
Energy: 0.9212731511264836
Energy: 0.9272508587103616
Energy: 0.9211259068014624
Energy: 0.9927071531718876
Energy: 0.9421986483003315
Energy: 0.9543074362022556
Energy: 0.9217397587219813
Energy: 0.9805153810389223
Energy: 0.9545230895499605
Energy: 1.0478159312559439
Energy: 0.9373251790231154
Energy: 0.9370655452776492
Energy: 0.9224528713016501
Energy: 0.9576089916160186
Energy: 0.939722771152923
Energy: 1.0429876776008353
Energy: 0.9211387525022396
Energy: 0.9207121307473689
Energy: 0.921130083347906
Energy: 0.9312924013202118
Energy: 0.9207934330307715
Energy: 1.0471754434109053
Energy: 0.925649794159744
Energy: 0.9211660739849243
Energy: 0.9213582309168039
Energy: 0.9247793830227687
Energy: 0.9210095541374252
Energy: 0.9685575473708878
Energy: 0.9292919651425146
Energy: 0.9471434878003027
Energy: 0.9241511207872667
Energy: 0.9350894678254873
Energy: 0.948800592062425
Energy: 1.0134784899957865
Energy: 0.9212421185514531
Energy: 0.920763039841293
Energy: 0.9219424205844344
Energy: 0.9473408017422417
Energy: 0.92090351738676
Energy: 1.0255012849258052
Energy: 0.9185824265084228
Energy: 0.9188065710928165
Energy: 0.9565076990621465
Energy: 0.9278307775103198
Energy: 0.9242251540938717
Energy: 0.9505196362265121
Energy: 0.9183607010666411
Energy: 0.918400909452514
Energy: 0.9476857605625781
Energy: 0.9195207579737134
Energy: 0.9248467491376569
Energy: 0.9249147004785858
Energy: 0.9208159778635704
Energy: 0.9209022326276947
Energy: 0.9263987221827809
Energy: 0.9213408421850675
Energy: 0.9209852504806164
Energy: 0.9243082387967699
Energy: 0.9210443320926587
Energy: 0.9209482683477589
Energy: 0.9274112093856771
Energy: 0.9208530373848247
Energy: 0.9210772489353934
Energy: 0.9731669347290659
Energy: 0.9177564149927037
Energy: 0.9148341842058945
Energy: 0.9557648733887115
Energy: 0.9189243636966569
Energy: 0.9304616335737517
Energy: 1.0139221165320202
Energy: 0.9144060476926763
Energy: 0.9246718742013088
Energy: 0.9898998911278931
Energy: 0.9218538140391557
Energy: 0.9225353395823351
Energy: 0.993785387576059
Energy: 0.9209273762440092
Energy: 0.9208524920362421
Energy: 0.9333904387652469
Energy: 0.9209926562779238
Energy: 0.9207015312178995
Energy: 0.9665700278957984
Energy: 0.9214016808385631
Energy: 0.9637503250394618
Energy: 0.936968237448952
Energy: 0.9367375428488098
Energy: 0.9372017259338691
Energy: 1.0334415148180103
Energy: 0.9360149160611386
Energy: 0.9365716826228097
Energy: 0.9371507021640724
Energy: 0.9374349534798895
Energy: 0.9364756483889027
Energy: 1.0331943776872492
Energy: 0.9363263092911905
Energy: 0.9365203809589489
Energy: 0.9367869374958296
Energy: 0.9511523585132868
Energy: 0.9365431392191329
Energy: 1.0126586407322693
Energy: 0.9365042597273489
Energy: 0.9394000913820186
Energy: 0.917556455087282
Energy: 0.9898800389161134
Energy: 0.9230382566945907

minimum gb energy = 0.9144060476926763 eV
minimum distance =  2.27789485911763 Angstroms
sigma value = 101


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

Energy: 1.3182648106744161
Energy: 0.8919355104380124
Energy: 0.9161015473720513
Energy: 1.1835596111803288
Energy: 0.8907813830679512
Energy: 1.1860154263573555
Energy: 1.0095957447807329
Energy: 0.8952625774993043
Energy: 0.8938921847391934
Energy: 0.8989643037945554
Energy: 0.9006983838901134
Energy: 0.8945972469820239
Energy: 1.0102404452717373
Energy: 0.8919524391180925
Energy: 0.8924914919265007
Energy: 0.9163842682476778
Energy: 0.8924612134006026
Energy: 0.8940741400159885
Energy: 0.9288730273016957
Energy: 0.8944879181804368
Energy: 0.8946891932052278
Energy: 0.8989010744651725
Energy: 0.8995713162360767
Energy: 0.8930896329223867
Energy: 0.9061549430438447
Energy: 0.9158848177232115
Energy: 0.8950014850956977
Energy: 0.9001220024219794
Energy: 0.9173918528205129
Energy: 0.9032976339384016
Energy: 0.9277900743993498
Energy: 0.9029854309484294
Energy: 0.902911424579795
Energy: 0.8922043878347874
Energy: 0.9024032196120126
Energy: 0.9118876919122882
Energy: 0.9665926758065585
Energy: 0.888988696603905
Energy: 0.8951018728057591
Energy: 0.9289612879372275
Energy: 0.8888961065746219
Energy: 0.8842448364626317
Energy: 0.8918459236872371
Energy: 0.9006688458527939
Energy: 0.8973672943461947
Energy: 0.8929526603650824
Energy: 0.8861437536694015
Energy: 0.899576773873009
Energy: 0.8959333736741671
Energy: 0.8961668709329257
Energy: 0.8966864522426586
Energy: 0.8956726731499629
Energy: 0.8938386593330345
Energy: 0.8940803811079505
Energy: 0.9014361648904655
Energy: 0.8941977771601576
Energy: 0.8937820178619307
Energy: 0.9018098093995229
Energy: 0.893561308483552
Energy: 0.893764614955252
Energy: 1.019362430028332
Energy: 0.87724407015831
Energy: 0.877419659428663
Energy: 0.9657686546172937
Energy: 0.8785888480996785
Energy: 0.878566944873383
Energy: 0.9932988352324671
Energy: 0.8924225039798466
Energy: 0.8926287148735527
Energy: 0.893125601008516
Energy: 0.8917729356576074
Energy: 0.8927720573910207
Energy: 0.9271682869420583
Energy: 0.8960051960843748
Energy: 0.9004910135347346
Energy: 0.8863187289415652
Energy: 0.9185435016707374
Energy: 0.8992243150315308
Energy: 0.9354057051918312
Energy: 0.8920851293175622
Energy: 0.8930087087064889
Energy: 0.8931856200786716
Energy: 0.9016477475224902
Energy: 0.8932418871307987
Energy: 1.0103586683925063
Energy: 0.8923823167142144
Energy: 0.8928305426784812
Energy: 0.8931927027326241
Energy: 0.891058553319753
Energy: 0.8952432194873261
Energy: 1.009766803562866
Energy: 0.9003071115439404
Energy: 0.8955046417361825
Energy: 0.8950995847494104
Energy: 0.8994925267190745
Energy: 0.8934234531434779
Energy: 0.9426337658843116
Energy: 0.9170833193678862
Energy: 0.9019452413347501
Energy: 0.868153993369785
Energy: 0.8949964481335456
Energy: 0.8763961771302199
Energy: 1.039689478452529
Energy: 0.8953015360782578
Energy: 0.8967242928178824
Energy: 0.8995867878264944
Energy: 0.8943442145281622
Energy: 0.9104114959120034
Energy: 1.0096469952946352
Energy: 0.8976358497419761
Energy: 0.8980804861070825
Energy: 0.9186819908828906
Energy: 0.8983039509189701
Energy: 0.8985859754954467
Energy: 0.9871202561107368
Energy: 0.8954533417610946
Energy: 0.8956847417008859
Energy: 0.894023170105691
Energy: 0.8980582260993485
Energy: 0.8960511576089081
Energy: 0.9097332089262801
Energy: 0.8939031295403507
Energy: 0.8954079502242299
Energy: 0.9016267831553941
Energy: 0.894651613989489
Energy: 0.9044582578480153
Energy: 0.93622604337993
Energy: 0.8962837335839428
Energy: 0.8962810624068139
Energy: 0.9046909462615111
Energy: 0.8960996436408875
Energy: 0.8961802904002353
Energy: 1.0026452489947362
Energy: 0.8893584405904847
Energy: 0.890484416965868
Energy: 0.9735178078001064
Energy: 0.8873913647554553
Energy: 0.8921144005066611
Energy: 0.9280648384949955
Energy: 0.8875056862701454
Energy: 0.8893862252450911
Energy: 0.9120696977191205
Energy: 0.8848337298029807
Energy: 0.8956227389351796
Energy: 0.9016905274538294
Energy: 0.8961345379739162
Energy: 0.8959579676334359
Energy: 0.8981122680345472
Energy: 0.8953803622191149
Energy: 0.8955443194102789
Energy: 0.8948117118870714
Energy: 0.8924088028737454
Energy: 0.8916434878886766
Energy: 0.8938034310815305
Energy: 0.8928147016945573
Energy: 0.8939571706120638
Energy: 0.9800590302694291
Energy: 0.8783139867055069
Energy: 0.8784050167244271
Energy: 0.8931918430223743
Energy: 0.879483804163367
Energy: 0.8798441943507281
Energy: 1.0103582123927985
Energy: 0.8851084627349901
Energy: 0.8762655427656038
Energy: 0.893263276707106
Energy: 0.8730630643713225
Energy: 0.9021577485961669
Energy: 0.9333511228827949
Energy: 0.8924189028402004
Energy: 0.8999995519485117
Energy: 0.890285168710275
Energy: 0.8958864507548786
Energy: 0.8973637576301261
Energy: 0.9304026435113883
Energy: 0.8915088424785548
Energy: 0.8989375796187201
Energy: 0.8849274705161592
Energy: 0.9004452917840771
Energy: 0.8959422428299361
Energy: 1.0101249730979334
Energy: 0.8980899316573332
Energy: 0.9003893841851828
Energy: 0.893261165051806
Energy: 0.890455161950191
Energy: 0.9021747801838983
Energy: 1.009578473156941
Energy: 0.8936082346552243
Energy: 0.8942968912870748
Energy: 0.8947897080514196
Energy: 0.8977488246673092
Energy: 0.8944491538936586
Energy: 0.944670349919758
Energy: 0.9722821996556765
Energy: 0.9076930102720429
Energy: 0.8685571848792639
Energy: 0.9729028089682507
Energy: 0.9041453926253814

minimum gb energy = 0.868153993369785 eV
minimum distance =  2.26192304888644 Angstroms
sigma value = 33


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

Energy: 0.014738620218417443
Energy: 0.777897136840109
Energy: 0.015317543204619808
Energy: 0.016299017345187294
Energy: 0.7789078460158819
Energy: 0.015271821000680268
Energy: 0.4460657759488087
Energy: 0.11197798320376261
Energy: 0.11056518744677064
Energy: 0.11173525853829346
Energy: 0.11181735617274932
Energy: 0.11044007091502105
Energy: 1.1166619682324221
Energy: 0.7789561778091932
Energy: 0.7779473336083167
Energy: 0.7769113721242321
Energy: 0.7789260997301023
Energy: 0.7779717928405215
Energy: 0.016596403933400547
Energy: 0.11197798320334926
Energy: 0.11056518744677064
Energy: 0.11173525853914448
Energy: 0.11181735617231166
Energy: 0.11044007091543441

minimum gb energy = 0.014738620218417443 eV
minimum distance =  2.53911154032161 Angstroms
sigma value = 1