Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_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=3.614959037303926
cohesive_energy=3.5402730691080047
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=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71517669810712e-19, 3.14797267224954e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.763799851171219e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61300153249024e-19, 5.639020881026399e-19, 5.65733375995302e-19, 5.66814845223252e-19, 5.671673240827319e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23387992947572e-19, 3.8624953857145196e-19, 3.40834239704088e-19, 2.84828553285984e-19, 2.15207569832148e-19, 1.2810571777772818e-19, 1.84591576533042e-20, -1.2102377662012139e-19, -3.02071178221092e-19, -5.43419862013584e-19, -8.7154403448015e-19, -1.322185051972062e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01365361545003491
Energy: 0.014287071202914227
Energy: 0.0143682704480914
Energy: 0.014148533164434584
Energy: 0.31663938143227854
Energy: 0.014264621147053706
Energy: 0.014287071204447457
Energy: 0.09692721624220686
Energy: 0.09658840838784985
Energy: 0.0967815220810733
Energy: 0.09688495788810837
Energy: 0.09720359262843546
Energy: 0.014368270448997397
Energy: 0.09658840838725746
Energy: 0.09704920120868515
Energy: 0.014376227000601172
Energy: 0.09686438431761447
Energy: 0.09722887093144802
Energy: 0.01414853316412097
Energy: 0.09678152207922644
Energy: 0.014376227000914784
Energy: 0.014198393802900236
Energy: 0.09672600363488267
Energy: 0.014310980527761854
Energy: 0.31663938143290576
Energy: 0.09688495788626153
Energy: 0.09686438431824171
Energy: 0.09672600363519626
Energy: 0.0968858483785579
Energy: 0.09694550950445377
Energy: 0.014264621146147708
Energy: 0.0972035926290627
Energy: 0.09722887093176164
Energy: 0.014310980529573853
Energy: 0.09694550950386138
Energy: 0.014313409245322527

minimum gb energy = 0.01365361545003491 eV
minimum distance =  2.55249835726406 Angstroms
sigma value = 1


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

Energy: 1.0576150361243597
Energy: 0.6243519942704462
Energy: 0.6288325858446306
Energy: 0.619557536572443
Energy: 0.6166176593745782
Energy: 0.6270384981196107
Energy: 0.9556365685747961
Energy: 0.5923303327179612
Energy: 0.5924069898304499
Energy: 0.6144279532248088
Energy: 0.5923507150854861
Energy: 0.6035018406452385
Energy: 0.9407721820028513
Energy: 0.6061324997888123
Energy: 0.6064411191531998
Energy: 0.6070611353301641
Energy: 0.5985172570264298
Energy: 0.6090601335459858
Energy: 0.9995759944263001
Energy: 0.6067121277065958
Energy: 0.6065854939841355
Energy: 0.5968747685184471
Energy: 0.6075240873246506
Energy: 0.5966370041363774
Energy: 0.9265887993561234
Energy: 0.6015270686390526
Energy: 0.6034194934743887
Energy: 0.6180152090082747
Energy: 0.5905442792639648
Energy: 0.6037841233284333
Energy: 0.9195110008700815
Energy: 0.6119382043394062
Energy: 0.6077504813171912
Energy: 0.6068814660449784
Energy: 0.6006655079210215
Energy: 0.606996925600549
Energy: 0.9220487471339147
Energy: 0.6005093917007054
Energy: 0.6018163341514837
Energy: 0.6065766663708859
Energy: 0.5999682941035348
Energy: 0.6068720939904111
Energy: 0.8841282508850524
Energy: 0.6045877973841319
Energy: 0.6046510628315336
Energy: 0.5926528641493162
Energy: 0.6039014773965767
Energy: 0.5994579138004774
Energy: 0.7747360253979924
Energy: 0.607506513677275
Energy: 0.6061268381847423
Energy: 0.6015299505907319
Energy: 0.6073080053135381
Energy: 0.6063843291276338
Energy: 0.7730374672606332
Energy: 0.614645273299294
Energy: 0.6104652075132228
Energy: 0.5952464669181619
Energy: 0.6168401064267499
Energy: 0.603569997006739
Energy: 0.766962291826407
Energy: 0.5884271435074042
Energy: 0.587722154408735
Energy: 0.6273342395094658
Energy: 0.588888503510109
Energy: 0.592586318502303
Energy: 0.688013305197816
Energy: 0.6097986489222441
Energy: 0.6106341195128031
Energy: 0.598129371758654
Energy: 0.6047115548767223
Energy: 0.5923247567491144
Energy: 0.6876734263052875
Energy: 0.6165554185476131
Energy: 0.6152716394636482
Energy: 0.5943351649642391
Energy: 0.6059473179588563
Energy: 0.592728343999092
Energy: 0.749055694085983
Energy: 0.5866625884803441
Energy: 0.5876315328567824
Energy: 0.6157473146749941
Energy: 0.5882046372915276
Energy: 0.5880910386017936
Energy: 0.716260911927108
Energy: 0.6141847106954982
Energy: 0.6034424741909605
Energy: 0.5929567442006194
Energy: 0.6173694972598465
Energy: 0.5927307770675291
Energy: 0.7169626856717728
Energy: 0.6022845596492368
Energy: 0.6015611752416324
Energy: 0.6158913098633835
Energy: 0.6025644041208582
Energy: 0.6169724687149356
Energy: 0.8501678050937909
Energy: 0.6057173666908215
Energy: 0.6070443403992081
Energy: 0.5980181259024199
Energy: 0.6073846187133487
Energy: 0.6062762771162208
Energy: 0.8495030924097892
Energy: 0.6014571504264916
Energy: 0.5998625209389411
Energy: 0.5999746522651294
Energy: 0.6017542546059216
Energy: 0.6166805248329494
Energy: 0.8503643220276975
Energy: 0.6106430220215426
Energy: 0.608562242345379
Energy: 0.6010133638794836
Energy: 0.5994652307812874
Energy: 0.6166253495019303
Energy: 0.8934772092723117
Energy: 0.6006251358956749
Energy: 0.6161968222202306
Energy: 0.6020071338283607
Energy: 0.5993425691395331
Energy: 0.6083678910116349
Energy: 0.952903729871845
Energy: 0.5978950516181349
Energy: 0.5892896099453134
Energy: 0.603008769519512
Energy: 0.5977193094226043
Energy: 0.5901175224237607
Energy: 0.9668708486564633
Energy: 0.6064967463254407
Energy: 0.6170017920458581
Energy: 0.602165398101529
Energy: 0.6074143650419429
Energy: 0.6016785476116535
Energy: 0.9558151556263578
Energy: 0.5920799806081642
Energy: 0.5922115531095463
Energy: 0.6228635100180097
Energy: 0.5955323146006827
Energy: 0.6031794605446746

minimum gb energy = 0.5866625884803441 eV
minimum distance =  2.40878933574987 Angstroms
sigma value = 33


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

Energy: 1.2276106197544396
Energy: 0.6877336738931686
Energy: 0.6404409229487109
Energy: 0.635518347047387
Energy: 0.6590102821229468
Energy: 0.7069754921335644
Energy: 0.9268148352386169
Energy: 0.6245036968235556
Energy: 0.5950571496926068
Energy: 0.608216205438304
Energy: 0.6249596691236412
Energy: 0.5955175334279259
Energy: 0.9046548789922756
Energy: 0.6112351652370042
Energy: 0.6122276426452674
Energy: 0.6422876103631028
Energy: 0.6120340635067162
Energy: 0.6072439065019903
Energy: 0.95297451196898
Energy: 0.6643309019977606
Energy: 0.6459041784043386
Energy: 0.6378632394684228
Energy: 0.6409220653713888
Energy: 0.6491950671478905
Energy: 0.9173495493368201
Energy: 0.6050439886755721
Energy: 0.6068824321447442
Energy: 0.6018208968052015
Energy: 0.5952325299529148
Energy: 0.6113530088566912
Energy: 0.9659963173048364
Energy: 0.6254872459129472
Energy: 0.6589711017953467
Energy: 0.6144838092083228
Energy: 0.6927681563517538
Energy: 0.6240117468539712
Energy: 0.9650235854120026
Energy: 0.6972986934957547
Energy: 0.6975883364617562
Energy: 0.614577145905283
Energy: 0.6980541437897059
Energy: 0.6893552780557453
Energy: 0.9159971160190568
Energy: 0.6356437213541745
Energy: 0.6363423714636351
Energy: 0.6280430359007643
Energy: 0.6308101667188135
Energy: 0.6182032843067707
Energy: 0.8210382423885128
Energy: 0.6353369592923712
Energy: 0.6826517377160833
Energy: 0.6866691684770487
Energy: 0.6311470514044558
Energy: 0.713362092919347
Energy: 0.8260812412571514
Energy: 0.6720074358468154
Energy: 0.676290573090104
Energy: 0.666912537227444
Energy: 0.6701353187318616
Energy: 0.6614900320824413
Energy: 0.8261294846513253
Energy: 0.6358898332786872
Energy: 0.627690399376835
Energy: 0.6587375072618435
Energy: 0.6140044251076112
Energy: 0.6267454305663261
Energy: 0.7567250430610147
Energy: 0.6026650586001138
Energy: 0.6777210968809898
Energy: 0.6997491666192741
Energy: 0.5979794866196189
Energy: 0.6598211239999416
Energy: 0.7598253072732885
Energy: 0.6793432766534124
Energy: 0.7010876188163585
Energy: 0.7152136833933754
Energy: 0.6608699317623142
Energy: 0.6678354393192479
Energy: 0.7631360718339076
Energy: 0.623271511900383
Energy: 0.6491875118750673
Energy: 0.7455567029501238
Energy: 0.6235029989416446
Energy: 0.6201351399783933
Energy: 0.8069286802287975
Energy: 0.6822953028979072
Energy: 0.6883032489517927
Energy: 0.6733264665047717
Energy: 0.6666255678797406
Energy: 0.6749122288153194
Energy: 0.8033404348978612
Energy: 0.6865694338632974
Energy: 0.686127853980437
Energy: 0.7055303816802473
Energy: 0.6856202884910948
Energy: 0.7183576813958352
Energy: 0.9148916868888569
Energy: 0.6880320017036172
Energy: 0.6794530622009494
Energy: 0.6979958092658871
Energy: 0.6861302097458528
Energy: 0.7057521989166667
Energy: 0.8656237704891313
Energy: 0.6764474972780969
Energy: 0.6703375734537289
Energy: 0.6316674077332186
Energy: 0.6760276964548161
Energy: 0.6747507226450208
Energy: 0.8686566887587527
Energy: 0.6884838861777592
Energy: 0.6842768266533936
Energy: 0.6308210583428965
Energy: 0.6877518240510601
Energy: 0.7098913115496213
Energy: 0.9400444721558907
Energy: 0.6703870986160541
Energy: 0.671165662838338
Energy: 0.6711225182745919
Energy: 0.6756121523583075
Energy: 0.6775267401573835
Energy: 1.0093724628776184
Energy: 0.7122944876283435
Energy: 0.6345649939492729
Energy: 0.5785810424854969
Energy: 0.7156705276032895
Energy: 0.6348692555061995
Energy: 0.8295690570034077
Energy: 0.698150444128547
Energy: 0.6895653408396651
Energy: 0.5972399991259926
Energy: 0.7016057049093535
Energy: 0.6840856991454892
Energy: 0.9347389136473142
Energy: 0.6863194308973837
Energy: 0.6694371061589163
Energy: 0.6852848892653598
Energy: 0.6865448554049506
Energy: 0.6693023813896068
Energy: 1.0303339237974456
Energy: 0.7239518926877332
Energy: 0.7404713716186381
Energy: 0.6921536506629034
Energy: 0.7247534674861903
Energy: 0.6980953802712415
Energy: 0.8929999837093548
Energy: 0.6760343217088381
Energy: 0.6754636020094855
Energy: 0.6653035383893694
Energy: 0.6743862733619826
Energy: 0.6751950074132167
Energy: 0.9142313623539683
Energy: 0.7171425658285056
Energy: 0.7153360065494563
Energy: 0.685405277011225
Energy: 0.7163076370054177
Energy: 0.6850989444402149
Energy: 0.9645777545596363
Energy: 0.6974358784629471
Energy: 0.7037376900899726
Energy: 0.6821590533085033
Energy: 0.6975774347815454
Energy: 0.7049290376105156
Energy: 0.9147848935357883
Energy: 0.6302080646247892
Energy: 0.6759794667192384
Energy: 0.6708095434939871
Energy: 0.633146428165472
Energy: 0.6727169742781125
Energy: 0.8276795930896588
Energy: 0.6303328474401023
Energy: 0.675695727012997
Energy: 0.6869966644854388
Energy: 0.6335842058852782
Energy: 0.7145148983593819
Energy: 0.8258244182620638
Energy: 0.6826270302763568
Energy: 0.6780845567163083
Energy: 0.6866366886636619
Energy: 0.6696149903577016
Energy: 0.6977384506560922
Energy: 0.8172489100491839
Energy: 0.6088325976322635
Energy: 0.6350704335671764
Energy: 0.7224672238674145
Energy: 0.5809280329453155
Energy: 0.634615493995957
Energy: 0.7596628222947442
Energy: 0.5796589596470031
Energy: 0.5789638125826813
Energy: 0.7031256622348103
Energy: 0.5801055525580973
Energy: 0.6893869914406934
Energy: 0.7552145998404374
Energy: 0.6790815956428727
Energy: 0.6599507642766371
Energy: 0.6851003114620333
Energy: 0.683208508014372
Energy: 0.6121104134224558
Energy: 0.7605651473802764
Energy: 0.6708837016633608
Energy: 0.6498696801388125
Energy: 0.7146289949463062
Energy: 0.6710853962778587
Energy: 0.6175513816228716
Energy: 0.8021583310344444
Energy: 0.6848012235107483
Energy: 0.6158781861035205
Energy: 0.6046548719273744
Energy: 0.6642824072466085
Energy: 0.6718862727236642
Energy: 0.7978387622845067
Energy: 0.6144574645831252
Energy: 0.680245407820036
Energy: 0.6376543238916589
Energy: 0.6148111698123558
Energy: 0.6444129057891341
Energy: 0.8046923411154165
Energy: 0.6127919567022367
Energy: 0.6461570338652887
Energy: 0.614375977747649
Energy: 0.6175880814235298
Energy: 0.6370145589285431
Energy: 0.8695508968468517
Energy: 0.6111878459416261
Energy: 0.6353346060882301
Energy: 0.6308403230974999
Energy: 0.6077926345608456
Energy: 0.6390730499761452
Energy: 0.8645257871596492
Energy: 0.6129909655674946
Energy: 0.6138032349680388
Energy: 0.6317472238485757
Energy: 0.620590706719486
Energy: 0.6538426955349406
Energy: 0.9166525036974985
Energy: 0.6025086154046615
Energy: 0.6274267570830053
Energy: 0.6079694507003669
Energy: 0.6126371398571747
Energy: 0.610850258099742
Energy: 1.0264292590679167
Energy: 0.6315523613944283
Energy: 0.6348058105180499
Energy: 0.5804107179560398
Energy: 0.6306369118318901
Energy: 0.6477327521373188

minimum gb energy = 0.5785810424854969 eV
minimum distance =  2.33322982150218 Angstroms
sigma value = 51


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

Energy: 1.099170019195648
Energy: 0.6416278241766418
Energy: 0.6405215350754004
Energy: 0.6435175325156007
Energy: 0.6367765771880036
Energy: 0.642746215318926
Energy: 0.8828552620501899
Energy: 0.636983852195085
Energy: 0.6303678527101622
Energy: 0.6518667750689402
Energy: 0.6367719744578709
Energy: 0.6261175944446564
Energy: 0.9617103988794411
Energy: 0.6362018041519377
Energy: 0.6368690476745515
Energy: 0.6418268251911112
Energy: 0.6374786299996517
Energy: 0.6319547401607846
Energy: 0.9421389094422983
Energy: 0.6366597300253647
Energy: 0.6261752351883367
Energy: 0.6434409047206321
Energy: 0.6332694401125208
Energy: 0.6229005366430774
Energy: 0.8273477871257944
Energy: 0.6519877763615404
Energy: 0.6601183724799298
Energy: 0.6542102416976768
Energy: 0.6511926876918828
Energy: 0.6599096948346043
Energy: 0.8263304972646329
Energy: 0.6530788030222119
Energy: 0.6577711341209327
Energy: 0.6502183270051607
Energy: 0.6506618870605099
Energy: 0.6575848474099556
Energy: 0.8278283349919064
Energy: 0.6505239506383035
Energy: 0.6594699614777545
Energy: 0.6508904624637482
Energy: 0.651162241641675
Energy: 0.6592427864792746
Energy: 0.8249467024705884
Energy: 0.6228515630498306
Energy: 0.6292985634777658
Energy: 0.6445252688987453
Energy: 0.6229783885598784
Energy: 0.6294789679073165
Energy: 0.7026942124177183
Energy: 0.6231607766796154
Energy: 0.6297613338886932
Energy: 0.6374629023227462
Energy: 0.623270349114702
Energy: 0.6314576205269802
Energy: 0.7032661693158878
Energy: 0.6590278776807473
Energy: 0.6274123495036079
Energy: 0.636603345793558
Energy: 0.6254786201669802
Energy: 0.6308394148933644
Energy: 0.701249110333615
Energy: 0.6309173452077765
Energy: 0.62694410752764
Energy: 0.6350892383009507
Energy: 0.6259569432434035
Energy: 0.6253155538316362
Energy: 0.7341611576097926
Energy: 0.6249610498165623
Energy: 0.641310775143278
Energy: 0.6313986938019335
Energy: 0.6306536345021692
Energy: 0.6244124140638468
Energy: 0.7323327680227177
Energy: 0.6430834796502296
Energy: 0.6467650983988116
Energy: 0.653214010157769
Energy: 0.6437463961528973
Energy: 0.6324023489603403
Energy: 0.7341986391946232
Energy: 0.6279765923611828
Energy: 0.6286654230612895
Energy: 0.6315540510170081
Energy: 0.6269558357226502
Energy: 0.6285711958030591
Energy: 0.8818971170356601
Energy: 0.6286299808041292
Energy: 0.6414553301741076
Energy: 0.6194109899913199
Energy: 0.6261621493053997
Energy: 0.6409849579830387
Energy: 0.8798656783528231
Energy: 0.6331988233009593
Energy: 0.6466870974225651
Energy: 0.6522837341623768
Energy: 0.6313808157044548
Energy: 0.6197490622553995
Energy: 0.8906524137967887
Energy: 0.6350702130760921
Energy: 0.6487699620237194
Energy: 0.6514700707421812
Energy: 0.6322212636988074
Energy: 0.6418109112229906
Energy: 1.0033460765424782
Energy: 0.624378622862401
Energy: 0.62497919088668
Energy: 0.6214722231886285
Energy: 0.6242134657707447
Energy: 0.6248285598337797

minimum gb energy = 0.6194109899913199 eV
minimum distance =  2.39266876604442 Angstroms
sigma value = 19


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

Energy: 0.9163082158051695
Energy: 0.5923725931445756
Energy: 0.5927891615259742
Energy: 0.6475673230424535
Energy: 0.576971424237181
Energy: 0.5934950542213665
Energy: 0.8988777256091831
Energy: 0.574847648579047
Energy: 0.5750288253084578
Energy: 0.6003161163293294
Energy: 0.5741415440322819
Energy: 0.5747846162591215
Energy: 0.9575069718999896
Energy: 0.5739272374478577
Energy: 0.5743057378535782
Energy: 0.610814806394884
Energy: 0.5738576787784758
Energy: 0.5744078713269261
Energy: 0.7703219161665436
Energy: 0.5741747934438628
Energy: 0.5746791272145212
Energy: 0.5905502815834965
Energy: 0.5745288183825709
Energy: 0.5752880458242703
Energy: 0.7785141404741913
Energy: 0.5746217884032584
Energy: 0.5983283737102955
Energy: 0.5983592992170984
Energy: 0.5746722968740668
Energy: 0.5985448949321399
Energy: 0.7755369625737284
Energy: 0.550483201452453
Energy: 0.5959550718497091
Energy: 0.5995536153737987
Energy: 0.550293058666179
Energy: 0.5956747403659722
Energy: 0.7771021529237527
Energy: 0.5997565787134264
Energy: 0.5974939706821703
Energy: 0.6008154295803448
Energy: 0.5600736929041777
Energy: 0.5971870501915588
Energy: 0.7346902275795093
Energy: 0.551208346740868
Energy: 0.5507145966559474
Energy: 0.5753802667155887
Energy: 0.5534789801359398
Energy: 0.550690614321594
Energy: 0.6417372464516977
Energy: 0.5510242113476949
Energy: 0.5508945008909344
Energy: 0.5741741652431651
Energy: 0.5519397747694572
Energy: 0.5508675794874196
Energy: 0.6409390463056243
Energy: 0.5750983119477667
Energy: 0.5746771795137043
Energy: 0.5741346120256422
Energy: 0.5993501752140189
Energy: 0.5745425302036465
Energy: 0.6388129980969396
Energy: 0.6124285567245674
Energy: 0.6122658329899553
Energy: 0.5731588574686322
Energy: 0.612533392115194
Energy: 0.5747785576303314
Energy: 0.7772396858826758
Energy: 0.5993306109827943
Energy: 0.5990241493746881
Energy: 0.5744392273200879
Energy: 0.5995636686784336
Energy: 0.57441996704507
Energy: 0.6185033701732052
Energy: 0.5983846701594016
Energy: 0.5992420109417872
Energy: 0.5498877786018336
Energy: 0.5988974351191956
Energy: 0.5997077021572417
Energy: 0.7778797767443029
Energy: 0.5999143262678085
Energy: 0.5993507062162715
Energy: 0.5746863314920454
Energy: 0.6002879933394721
Energy: 0.5991681075366082
Energy: 0.9161708889834483
Energy: 0.5745596329827661
Energy: 0.574673750876548
Energy: 0.5513845031046091
Energy: 0.5744238494971132
Energy: 0.5508207366463659
Energy: 0.9179168356504938
Energy: 0.5774133135757281
Energy: 0.550396678199521
Energy: 0.5520700887316483
Energy: 0.5750130421209023
Energy: 0.5505314564187219
Energy: 0.7784612622243434
Energy: 0.5745688410473503
Energy: 0.5748612813528216
Energy: 0.6011523648959924
Energy: 0.5740282443898362
Energy: 0.5747105524222753
Energy: 0.7708811495914444
Energy: 0.5740561970581276
Energy: 0.5747756541851176
Energy: 0.5897805132971321
Energy: 0.5740426724085014
Energy: 0.5755041004975214
Energy: 0.7724865404475739
Energy: 0.5737742203002164
Energy: 0.5740556491994729
Energy: 0.5912632591207173
Energy: 0.5737656235811351
Energy: 0.5748051185336351
Energy: 0.7779855692720048
Energy: 0.5502850068640085
Energy: 0.5971324482290191
Energy: 0.5983370309845673
Energy: 0.5503329773677847
Energy: 0.5966075790898593
Energy: 0.7721534599426936
Energy: 0.5979664992942298
Energy: 0.5982133888890088
Energy: 0.6007319134431981
Energy: 0.5983835241219525
Energy: 0.5987555718882593
Energy: 0.7774741297795639
Energy: 0.6000683351878529
Energy: 0.599618340979891
Energy: 0.5997408328162145
Energy: 0.6000774214413179
Energy: 0.5990946128046336
Energy: 0.7360970696026085
Energy: 0.6483740232294526
Energy: 0.6105377815299107
Energy: 0.6714826097025945
Energy: 0.6481579731106387
Energy: 0.6108058185889773
Energy: 0.6413044462676396
Energy: 0.5754180255806912
Energy: 0.5748128199732451
Energy: 0.5741194008197865
Energy: 0.5853527934657119
Energy: 0.5746589621299848
Energy: 0.6414615836161609
Energy: 0.6160039443317914
Energy: 0.574266623748205
Energy: 0.5739360767822633
Energy: 0.6222739137297868
Energy: 0.5743013174546412
Energy: 0.73679142346482
Energy: 0.590838395638763
Energy: 0.5908933509085309
Energy: 0.6728452137126764
Energy: 0.59069745048081
Energy: 0.5744389435530757
Energy: 0.7775834701188197
Energy: 0.599525136523738
Energy: 0.5989148693363794
Energy: 0.5996405491586635
Energy: 0.5984219738181191
Energy: 0.5985111110250224
Energy: 0.6193991836605368
Energy: 0.5984437664031882
Energy: 0.596385500999445
Energy: 0.5502567794485219
Energy: 0.599199284100483
Energy: 0.5956109056476855
Energy: 0.7344484528477986
Energy: 0.5995189674525664
Energy: 0.5974744596945886
Energy: 0.5599332676935604
Energy: 0.5999199849464776
Energy: 0.5965570908035241
Energy: 0.9154065023876328
Energy: 0.5754245534213523
Energy: 0.5508581409277391
Energy: 0.5528233814591796
Energy: 0.5747932192403461
Energy: 0.5508635559317008

minimum gb energy = 0.5498877786018336 eV
minimum distance =  2.42302784911224 Angstroms
sigma value = 27


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

Energy: 0.7625586574883941
Energy: 0.6743546553357358
Energy: 0.674387581248104
Energy: 0.5793176280832578
Energy: 1.1918267477502775
Energy: 0.6745079435305973
Energy: 0.6775981471905034
Energy: 0.6230424350876618
Energy: 0.5708385401232127
Energy: 0.5652293093136048
Energy: 0.6228671662999092
Energy: 0.559848538023973
Energy: 0.6870878582709727
Energy: 0.6209503316352659
Energy: 0.5706571136470783
Energy: 0.5727993686211057
Energy: 0.6195268221839275
Energy: 0.5698414415822156
Energy: 0.6774785235200752
Energy: 0.5768415866123976
Energy: 0.5692305821636248
Energy: 0.6065350782434382
Energy: 0.6051288323069295
Energy: 0.5549408262218621
Energy: 0.7562874613330102
Energy: 0.538542020493989
Energy: 0.5656947386047977
Energy: 0.6055207038886647
Energy: 0.526066388756382
Energy: 0.5698960302683496
Energy: 0.6424025083824426
Energy: 0.5226211903576375
Energy: 0.5243765640675412
Energy: 0.6191224648989798
Energy: 0.5233676781168894
Energy: 0.5384109353576756
Energy: 0.6460674533980346
Energy: 0.5639738438165055
Energy: 0.5699736802817971
Energy: 0.6213183643635597
Energy: 0.5652992413269029
Energy: 0.5696337856209015
Energy: 0.6455312069150011
Energy: 0.5628612176193201
Energy: 0.5606792488781009
Energy: 0.6226759503302352
Energy: 0.5789058962145753
Energy: 0.5652685012701579
Energy: 0.6866416726138503
Energy: 0.5631085073103836
Energy: 0.5601733601784993
Energy: 0.6229273263780928
Energy: 0.5761715648777234
Energy: 0.5549714249611606
Energy: 0.6873969016743268
Energy: 0.57086056690378
Energy: 0.5827603770959526
Energy: 0.5796683667411197
Energy: 0.5768916745555122
Energy: 0.5812777825587933
Energy: 0.688215501196656
Energy: 0.5749713534673686
Energy: 0.5760950877086298
Energy: 0.5801868137591675
Energy: 0.5761460170064028
Energy: 0.5783737210977873
Energy: 0.6862799730312451
Energy: 0.569308062528255
Energy: 0.5693246959358779
Energy: 0.5657468086076637
Energy: 0.5707850143818879
Energy: 0.5598560655369421

minimum gb energy = 0.5226211903576375 eV
minimum distance =  2.43634090832499 Angstroms
sigma value = 9


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

Energy: 1.3850813404075815
Energy: 0.5462582491835787
Energy: 0.5900909895840454
Energy: 0.5049990553202596
Energy: 0.5130382134441851
Energy: 0.49256271504046595
Energy: 0.5552951953129509
Energy: 0.5013482332904012
Energy: 0.5304916288613739
Energy: 0.5014139713238739
Energy: 0.5310719130922075
Energy: 0.4997739731708863
Energy: 0.5769818034445279
Energy: 0.526082233863793
Energy: 0.5273991557282922
Energy: 0.5294605741015538
Energy: 0.5277774128602829
Energy: 0.5016432541544803
Energy: 0.5776650559732608
Energy: 0.5139051643201062
Energy: 0.5137767602974527
Energy: 0.5350726223917788
Energy: 0.5290105623600553
Energy: 0.5010714404549566
Energy: 0.6119718492294813
Energy: 0.5343169359337663
Energy: 0.5422095112124183
Energy: 0.5559781651182507
Energy: 0.53420931259262
Energy: 0.5174288279584852
Energy: 0.5708755457857139
Energy: 0.5543401584049611
Energy: 0.5126370507321083
Energy: 0.5809141714504412
Energy: 0.5530534066922514
Energy: 0.5043334909609137
Energy: 0.5718706660488144
Energy: 0.5016994654907454
Energy: 0.501744463909041
Energy: 0.5683653016463611
Energy: 0.5020189490244176
Energy: 0.5579407777860615
Energy: 0.5728689774892879
Energy: 0.5336190729008967
Energy: 0.540411979826617
Energy: 0.557709210175823
Energy: 0.5448606080485355
Energy: 0.5210721042358866
Energy: 0.5478914633626533
Energy: 0.5539114792160715
Energy: 0.545367909701778
Energy: 0.5604376793142636
Energy: 0.5528417570387879
Energy: 0.5378337252647417
Energy: 0.5309846167622542
Energy: 0.5121070006110596
Energy: 0.511339578221131
Energy: 0.5434443153288826
Energy: 0.5415720415301851
Energy: 0.49733983986462876
Energy: 0.5310498192206093
Energy: 0.5558186559612261
Energy: 0.5491811847394169
Energy: 0.5374502083957684
Energy: 0.5541007885767676
Energy: 0.5329811770976604
Energy: 0.6184235986358207
Energy: 0.5632419462450571
Energy: 0.5574869119317244
Energy: 0.5137528672734138
Energy: 0.5685462696085527
Energy: 0.49397389355723254
Energy: 0.7874353402377794
Energy: 0.5708487977859903
Energy: 0.5463145199961976
Energy: 0.5010559621427776
Energy: 0.5532378637808838
Energy: 0.5342196495078463
Energy: 0.6194102156584101
Energy: 0.5144670600756148
Energy: 0.5172291007344942
Energy: 0.5143437437272234
Energy: 0.5519476682139148
Energy: 0.5188586540376697
Energy: 0.557434712777866
Energy: 0.511518646726283
Energy: 0.5104261826667511
Energy: 0.5323132903718736
Energy: 0.5152764158779768
Energy: 0.562267617823521
Energy: 0.5570094768291548
Energy: 0.5004282071365839
Energy: 0.5041660656443505
Energy: 0.540523472227203
Energy: 0.5333264190921535
Energy: 0.5152182709738404
Energy: 0.5566413113147037
Energy: 0.49834574082261857
Energy: 0.492601013271071
Energy: 0.5308975083592545
Energy: 0.5117637788530487
Energy: 0.5039993886359099
Energy: 0.602037820047831
Energy: 0.48737853218834604
Energy: 0.499774140308774
Energy: 0.5366878866468813
Energy: 0.5080553402955662
Energy: 0.5059089374426873
Energy: 0.5776273794648347
Energy: 0.49791249798634646
Energy: 0.49985381804801443
Energy: 0.5108197464265962
Energy: 0.5087460267608801
Energy: 0.5020081593186623
Energy: 0.5750769056868308
Energy: 0.5098370053221304
Energy: 0.4999957756882634
Energy: 0.5096872586462676
Energy: 0.509600554493188
Energy: 0.5012420650146552
Energy: 0.5769652510774602
Energy: 0.49917182268049015
Energy: 0.5030846599725213
Energy: 0.520219460674022
Energy: 0.5108207430669205
Energy: 0.5002248530240152
Energy: 0.5938891432883331
Energy: 0.5118988794852846
Energy: 0.5083621602721187
Energy: 0.5006770496257368
Energy: 0.5173240325866783
Energy: 0.5163582858399444
Energy: 0.5912253128059703
Energy: 0.5183396443683287
Energy: 0.5116103865859628
Energy: 0.532419467313469
Energy: 0.5309072038959498
Energy: 0.4818553966282212
Energy: 0.5768687466868188
Energy: 0.5268668597864002
Energy: 0.5143422876367055
Energy: 0.5275126186465104
Energy: 0.5402146033608332
Energy: 0.5173243863706304
Energy: 0.8000999172862051
Energy: 0.5316443414006358
Energy: 0.5599391786991018
Energy: 0.5473340515999019
Energy: 0.5449328033305249
Energy: 0.5606531127435705
Energy: 0.5767551005978853
Energy: 0.5012923870239452
Energy: 0.5180218013134174
Energy: 0.5274195541806891
Energy: 0.5142415742925487
Energy: 0.5172882764489757
Energy: 0.5479402781130548
Energy: 0.51640221639279
Energy: 0.525097541001868
Energy: 0.5480934617268547
Energy: 0.5137631936471317
Energy: 0.5095600793983363
Energy: 0.5714807254031885
Energy: 0.5015436533297383
Energy: 0.4946124710528584
Energy: 0.5690054986700294
Energy: 0.5146001165846845
Energy: 0.4941648130819648
Energy: 0.5715101847550528
Energy: 0.5219852490782101
Energy: 0.547982889405635
Energy: 0.5686947752577227
Energy: 0.5533306113836025
Energy: 0.5489583804724478
Energy: 0.548175768277788
Energy: 0.5342389913758132
Energy: 0.5295875508458708
Energy: 0.5299670754887592
Energy: 0.5333852606184799
Energy: 0.5022141304265816
Energy: 0.5311737339987116
Energy: 0.5071927963926284
Energy: 0.5351992093122611
Energy: 0.5707592611627352
Energy: 0.539655080483925
Energy: 0.5436452927296724
Energy: 0.5308755535012543
Energy: 0.5519897678684627
Energy: 0.523522163240895
Energy: 0.54370931791916
Energy: 0.5522435283490116
Energy: 0.5058291788080685
Energy: 0.5638674143181072
Energy: 0.5611971268062232
Energy: 0.5567240414188801
Energy: 0.5586910646591613
Energy: 0.5684641382673989
Energy: 0.5339985039691167
Energy: 0.5631976366673551
Energy: 0.5519391336100409
Energy: 0.5326935733053288
Energy: 0.5300564954746552
Energy: 0.5686875860041937
Energy: 0.4923770275155735
Energy: 0.5618408784019109
Energy: 0.5167201638065422
Energy: 0.5023882738222264
Energy: 0.5565755540058224
Energy: 0.5553222547009631
Energy: 0.5168830150616018
Energy: 0.5646847242167808
Energy: 0.5097114379206347
Energy: 0.5012415624312806
Energy: 0.5424343705733761
Energy: 0.5123817224091545
Energy: 0.5006487801660907
Energy: 0.5562936442383739
Energy: 0.5309717777410229
Energy: 0.5134198018710598
Energy: 0.5413282512403098
Energy: 0.5446864663472166
Energy: 0.5188458582571421
Energy: 0.5569112003224371
Energy: 0.5030839228076924
Energy: 0.5035172990466841
Energy: 0.5309818235791949
Energy: 0.5009449583753562
Energy: 0.52831533762898
Energy: 0.5429070782366804
Energy: 0.505926716755564
Energy: 0.5397074388080889
Energy: 0.5344466290847707
Energy: 0.4966782024707779
Energy: 0.5379495640892445
Energy: 0.578092892907425
Energy: 0.5028758966160122
Energy: 0.5036158374639529
Energy: 0.5303676669588778
Energy: 0.5024066850544753
Energy: 0.5056445090890054
Energy: 0.5728026745261414
Energy: 0.5028233063936152
Energy: 0.5038140473935886
Energy: 0.5094124823774412
Energy: 0.5006555855162701
Energy: 0.5027538636548994
Energy: 0.5773665411095646
Energy: 0.5105728763848649
Energy: 0.5144350898193027
Energy: 0.4994741934157093
Energy: 0.5101267639241137
Energy: 0.4987775058994478
Energy: 0.5913563626239712
Energy: 0.5006442793538795
Energy: 0.5063398240967456
Energy: 0.532946480307623
Energy: 0.5107592235734725
Energy: 0.48150594825166537

minimum gb energy = 0.48150594825166537 eV
minimum distance =  2.39229016183709 Angstroms
sigma value = 57


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

Energy: 0.24867869343901955
Energy: 0.26076623010124816
Energy: 0.25257192199772655
Energy: 0.2494025499553876
Energy: 0.2893277179905257
Energy: 0.2601558415718514
Energy: 0.5017381703041156
Energy: 0.26751747281660504
Energy: 0.27123653427317723
Energy: 0.28592132356517536
Energy: 0.28856914683130025
Energy: 0.27188194261116033
Energy: 0.3260976109399676
Energy: 0.2724163550526987
Energy: 0.2718995663717916
Energy: 0.2885272848305586
Energy: 0.2899607564698613
Energy: 0.27197759288173023
Energy: 0.32601166713968477
Energy: 0.2720813931587298
Energy: 0.2713693654558112
Energy: 0.2891651175381981
Energy: 0.2914352510518936
Energy: 0.2713696530948356
Energy: 0.3211337970024368
Energy: 0.25261259711910283
Energy: 0.2665672161505563
Energy: 0.3230699708594419
Energy: 0.2510614125311074
Energy: 0.27265133777271433
Energy: 0.2895343658811119
Energy: 0.2516629358781727
Energy: 0.25315401986524666
Energy: 0.26794715434979427
Energy: 0.2536806778547079
Energy: 0.2648577315180337
Energy: 0.28439766752402723
Energy: 0.2676068322558013
Energy: 0.2714389056012396
Energy: 0.28482303523063013
Energy: 0.26444771299943204
Energy: 0.2734358751030856
Energy: 0.28952431241103854
Energy: 0.2710309936638529
Energy: 0.2891515995309143
Energy: 0.2894219420385176
Energy: 0.2678309545356155
Energy: 0.2703008276784905
Energy: 0.3214751074592761
Energy: 0.2885767219256438
Energy: 0.27508801060591237
Energy: 0.28945396106463733
Energy: 0.2869660523313571
Energy: 0.2718190579558103
Energy: 0.2499368060221787
Energy: 0.28838262377819296
Energy: 0.26965557156350295
Energy: 0.250366533678476
Energy: 0.2865255200561038
Energy: 0.2650526216327813
Energy: 0.25010195507271005
Energy: 0.26844799247039375
Energy: 0.27160062024218246
Energy: 0.25053762036217525
Energy: 0.2650159920864582
Energy: 0.2540197583783802
Energy: 0.32478876850848626
Energy: 0.2917746555267633
Energy: 0.2726110635150493
Energy: 0.2858872043128912
Energy: 0.28846351342126403
Energy: 0.272365645969397
Energy: 0.4808422384207997
Energy: 0.317959668334082
Energy: 0.2888458591270215
Energy: 0.26890762264391227
Energy: 0.3260442909764287
Energy: 0.2901154926371358
Energy: 0.3228236021105712
Energy: 0.2906155148657327
Energy: 0.2744526279290409
Energy: 0.2880530802815193
Energy: 0.2873655112960596
Energy: 0.2722429966165264
Energy: 0.32602429481185974
Energy: 0.25503290157266906
Energy: 0.2576103275883664
Energy: 0.288138059705608
Energy: 0.25070240870940796
Energy: 0.2525661664299876
Energy: 0.28693955839885366
Energy: 0.2712490928457718
Energy: 0.27244165315714963
Energy: 0.28774339317352116
Energy: 0.2520522185978672
Energy: 0.27252514952727724
Energy: 0.2892733258435135
Energy: 0.2805529648965226
Energy: 0.2759648072569733
Energy: 0.28944762397987484
Energy: 0.2885674333717189
Energy: 0.2717456136972645
Energy: 0.32565568909350134
Energy: 0.2710454472375193
Energy: 0.27668230947416983
Energy: 0.32567077054117405
Energy: 0.26925389470407457
Energy: 0.27066658814722216
Energy: 0.2501834862673278
Energy: 0.26795616039754416
Energy: 0.27107058414406326
Energy: 0.25073432926332295
Energy: 0.269200196109394
Energy: 0.27322697306439503

minimum gb energy = 0.24867869343901955 eV
minimum distance =  2.43872326639452 Angstroms
sigma value = 11


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

Energy: 0.8497797559025817
Energy: 0.4392261385650905
Energy: 0.48813882209292125
Energy: 0.4980192213982735
Energy: 0.5361889601862803
Energy: 0.4851289713194352
Energy: 0.44136303626523626
Energy: 0.43824351315845617
Energy: 0.43134858464810316
Energy: 0.43224155700198796
Energy: 0.42711900997151714
Energy: 0.4331101188876477
Energy: 0.43085251766187904
Energy: 0.4338219822845747
Energy: 0.4355973688854856
Energy: 0.42829140377280406
Energy: 0.43353220087316063
Energy: 0.4332948232221425
Energy: 0.43028919327483417
Energy: 0.4386681263087459
Energy: 0.4402288893709728
Energy: 0.428026035066323
Energy: 0.43161298519866625
Energy: 0.4345141843127755
Energy: 0.4281106933734656
Energy: 0.4852141597830114
Energy: 0.4624159623734651
Energy: 0.4387713120436161
Energy: 0.4693250339699352
Energy: 0.4386349167115841
Energy: 0.4669716319478477
Energy: 0.46630916141620965
Energy: 0.4721952597031583
Energy: 0.4362562987755764
Energy: 0.43947706726825864
Energy: 0.4661006793965105
Energy: 0.4674725877480859
Energy: 0.42953436517803134
Energy: 0.4329450957774031
Energy: 0.4264656465003576
Energy: 0.43248978666598886
Energy: 0.42961261893886266
Energy: 0.445924955994712
Energy: 0.5145473379958682
Energy: 0.5149300270390172
Energy: 0.4410470524960274
Energy: 0.5151275460856112
Energy: 0.43370242315850577
Energy: 0.4679036943189803
Energy: 0.43456156812113134
Energy: 0.4430245874418538
Energy: 0.44139068917654495
Energy: 0.42736747251623497
Energy: 0.4433193099265033
Energy: 0.6207496708717807
Energy: 0.45664775188224
Energy: 0.46691531980606743
Energy: 0.4311650375082302
Energy: 0.4631186718051721
Energy: 0.4668170202246567
Energy: 0.4945507521551142
Energy: 0.45412440476756116
Energy: 0.46148513395788054
Energy: 0.46427360223165653
Energy: 0.46020205001564163
Energy: 0.48509128427800147
Energy: 0.557931314456093
Energy: 0.41977297861257484
Energy: 0.4402277334664231
Energy: 0.4830745951916347
Energy: 0.4162497700032511
Energy: 0.4393365506888075
Energy: 0.6192854062975084
Energy: 0.42158949092787584
Energy: 0.44287243329415893
Energy: 0.5243241594441302
Energy: 0.41781599705115136
Energy: 0.43953999629140705
Energy: 0.5322439572184942
Energy: 0.4861201167949635
Energy: 0.4837064544410749
Energy: 0.45043063783454873
Energy: 0.48577577775317093
Energy: 0.48487765282865114
Energy: 0.5352940561504244
Energy: 0.4659272195839384
Energy: 0.4698622268304463
Energy: 0.4706614040751681
Energy: 0.4662486552325956
Energy: 0.46055572950824286
Energy: 0.6653277220558034
Energy: 0.4899900955943981
Energy: 0.4870183580888209
Energy: 0.45475113397993083
Energy: 0.4684322349266239
Energy: 0.4850172602068144
Energy: 0.7261262315955388
Energy: 0.4662522128049779
Energy: 0.4258736904339757
Energy: 0.4373653249579269
Energy: 0.4714823633411334
Energy: 0.4255312837198984
Energy: 0.5031496272085353
Energy: 0.455679084069132
Energy: 0.48835848968286827
Energy: 0.44399243451311
Energy: 0.46059352227556466
Energy: 0.48889885122491006
Energy: 0.4990548800266334
Energy: 0.43112511919346824
Energy: 0.4670355742268597
Energy: 0.43519839286534806
Energy: 0.43503222378096335
Energy: 0.4674452053477907
Energy: 0.5892713839831865
Energy: 0.44421116688692464
Energy: 0.5248023357227289
Energy: 0.4445109172095366
Energy: 0.5531047398867763
Energy: 0.4538693533580157
Energy: 0.6647632505126011
Energy: 0.46659192400358973
Energy: 0.4660995691236849
Energy: 0.4648300299789656
Energy: 0.48835075021988483
Energy: 0.45603519758850164
Energy: 0.4327928104980856
Energy: 0.495750507261341
Energy: 0.49407931833190766
Energy: 0.45822514946695
Energy: 0.4993878796730941
Energy: 0.48819853738754343
Energy: 0.42991239196835807
Energy: 0.464961352625895
Energy: 0.46233314396981395
Energy: 0.43283180242133096
Energy: 0.4644563605894565
Energy: 0.45604174897708033
Energy: 0.5153479608796018
Energy: 0.4313248452160974
Energy: 0.43307449040207074
Energy: 0.5157480968207955
Energy: 0.4296249724772175
Energy: 0.43306227584850593
Energy: 0.5156190108287649
Energy: 0.4284039707294554
Energy: 0.44340331693769225
Energy: 0.47067380089137173
Energy: 0.42736860296955015
Energy: 0.4385092834425556
Energy: 0.4927681866159143
Energy: 0.4289933083067256
Energy: 0.4385329077406835
Energy: 0.4641692087760715
Energy: 0.4393202870299059
Energy: 0.4628468179625502

minimum gb energy = 0.4162497700032511 eV
minimum distance =  2.40561009940396 Angstroms
sigma value = 41


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

Energy: 0.7114694369263344
Energy: 0.49640284849643207
Energy: 0.49221547779987196
Energy: 0.47726934666482723
Energy: 0.5189180566040952
Energy: 0.4879992444031975
Energy: 0.489064629448296
Energy: 0.47658228903828637
Energy: 0.4698422151073188
Energy: 0.4650733318442751
Energy: 0.47526785020540585
Energy: 0.4636803280974964
Energy: 0.4722269135433032
Energy: 0.47135236847914413
Energy: 0.46561979570304224
Energy: 0.4683623339607258
Energy: 0.47044853604941966
Energy: 0.46571437788620057
Energy: 0.472453925999772
Energy: 0.4724813290266625
Energy: 0.4650680171144198
Energy: 0.4683464087639674
Energy: 0.46899041032766153
Energy: 0.46699278236846425
Energy: 0.46821701841552277
Energy: 0.47949201865150504
Energy: 0.4773862853897767
Energy: 0.4749603561900181
Energy: 0.47924714698410653
Energy: 0.4638953049357552
Energy: 0.5288512120902035
Energy: 0.47389658514744964
Energy: 0.6041468492421458
Energy: 0.47889482372951275
Energy: 0.46786087197889487
Energy: 0.6039725333798774
Energy: 0.5297431506758487
Energy: 0.4667584571977561
Energy: 0.46780586835837895
Energy: 0.4655048132580559
Energy: 0.47585390159265617
Energy: 0.4716214173730978
Energy: 0.49024351366286983
Energy: 0.6063880191457576
Energy: 0.6063976024572897
Energy: 0.4459001154562724
Energy: 0.6064186935554539
Energy: 0.4579252473879567
Energy: 0.5293914243072456
Energy: 0.4662299380617476
Energy: 0.4638907605205463
Energy: 0.4763430902986115
Energy: 0.46964243075259443
Energy: 0.4644663884091289
Energy: 0.5278850507475947
Energy: 0.47852387960041004
Energy: 0.47267053028104766
Energy: 0.4668413271046655
Energy: 0.6046460812096348
Energy: 0.47088162733965727
Energy: 0.527624418393373
Energy: 0.47649927134318704
Energy: 0.4771917352138005
Energy: 0.46620400770694326
Energy: 0.4670749385028627
Energy: 0.4778430503032832
Energy: 0.533063287243059
Energy: 0.45633849860331493
Energy: 0.45683180327313233
Energy: 0.4778279681039596
Energy: 0.44660835215552747
Energy: 0.4717141112702591
Energy: 0.6049561925304046
Energy: 0.4458332395016534
Energy: 0.44599949689773044
Energy: 0.6144954315158583
Energy: 0.4467932592304498
Energy: 0.44617086835080527
Energy: 0.4721049383872023
Energy: 0.46976966951387766
Energy: 0.4653994042376369
Energy: 0.465773332704224
Energy: 0.47658270821146975
Energy: 0.464712716408901
Energy: 0.6051833676277242
Energy: 0.4781055259175447
Energy: 0.46420582010249717
Energy: 0.6053857963102619
Energy: 0.49266793376309664
Energy: 0.6060896181578082
Energy: 0.46870625459382714
Energy: 0.47692664696019565
Energy: 0.47120585700493745
Energy: 0.4754132628386929
Energy: 0.4750681452190283
Energy: 0.4659277765540639
Energy: 0.9575648007830604
Energy: 0.47647121379387564
Energy: 0.46559988514897144
Energy: 0.44539151361453494
Energy: 0.469697551971092
Energy: 0.6288670233289286
Energy: 0.4885289900561492
Energy: 0.46787252119678674
Energy: 0.4684198411098657
Energy: 0.45725826411694503
Energy: 0.47867748627989826
Energy: 0.44723149060285244
Energy: 0.4716006547868428
Energy: 0.46920526171243104
Energy: 0.4683954139282473
Energy: 0.466900740614567
Energy: 0.46886433188416865
Energy: 0.4661782278638368
Energy: 0.469973411453224
Energy: 0.467662944433229
Energy: 0.46437535451260614
Energy: 0.46806741951258274
Energy: 0.46853358749265006
Energy: 0.4668371434038147
Energy: 0.4684382460369827
Energy: 0.4682475785104371
Energy: 0.46335201305765233
Energy: 0.48251276053121156
Energy: 0.4656178122807121
Energy: 0.4647640600581159
Energy: 0.6735805287768284
Energy: 0.48266158424195954
Energy: 0.4916460514420321
Energy: 0.6725459563990857
Energy: 0.491858292261984
Energy: 0.47475562299978985
Energy: 0.5291601978351963
Energy: 0.46916270333872934
Energy: 0.4651429281746825
Energy: 0.4746882808805701
Energy: 0.4692099287004164
Energy: 0.4647121588550169
Energy: 0.4903606395176029
Energy: 0.46777784771632874
Energy: 0.6017524608500767
Energy: 0.44561784449225517
Energy: 0.6063571323557546
Energy: 0.458101973311352
Energy: 0.5298941996935057
Energy: 0.467571619422404
Energy: 0.46792441557718867
Energy: 0.47560539756631226
Energy: 0.4663007390950974
Energy: 0.4708914475445713
Energy: 0.5273860966963158
Energy: 0.4676781653920591
Energy: 0.46831871580677237
Energy: 0.4668759189161663
Energy: 0.4752732603228451
Energy: 0.47896669171581574
Energy: 0.527291493557365
Energy: 0.6157239524444897
Energy: 0.4718583120337254
Energy: 0.4668372318852829
Energy: 0.6031307744292944
Energy: 0.4706913981866299
Energy: 0.527459968726387
Energy: 0.4658168067127271
Energy: 0.47403395450537006
Energy: 0.47404397160602935
Energy: 0.45713826916898076
Energy: 0.46696140320919005
Energy: 0.6047953240783043
Energy: 0.4455705385035397
Energy: 0.7514470210849158
Energy: 0.6196710785573182
Energy: 0.46577800341104014
Energy: 0.7511470608014563
Energy: 0.47098493132166475
Energy: 0.47659229340543147
Energy: 0.47240596829197135
Energy: 0.469385822772533
Energy: 0.4749581951363339
Energy: 0.47848201883345326
Energy: 0.6075085951653283
Energy: 0.4645430066078548
Energy: 0.4675214427829436
Energy: 0.607526268506636
Energy: 0.4699584189078411
Energy: 0.6066182420641649
Energy: 0.4695570920729288
Energy: 0.47805083753308075
Energy: 0.47418753532133606
Energy: 0.4684246643460311
Energy: 0.46616721748280354
Energy: 0.4691261262385071
Energy: 0.5614419750793329
Energy: 0.4756067086365939
Energy: 0.44704927221634033
Energy: 0.44939140652280263
Energy: 0.4874963212346192
Energy: 0.4485213796408176

minimum gb energy = 0.44539151361453494 eV
minimum distance =  2.4046121239465 Angstroms
sigma value = 33


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

Energy: 0.6179209903620191
Energy: 0.5491852431929797
Energy: 0.9685667962144073
Energy: 0.49838662301002234
Energy: 0.5555003649813168
Energy: 0.5025516453740801
Energy: 0.5420529642131711
Energy: 0.5189760447959608
Energy: 0.5173809731970052
Energy: 0.5168006413442795
Energy: 0.5158137249189925
Energy: 0.5052288786520227
Energy: 0.5277495705939526
Energy: 0.5095757042359553
Energy: 0.5088774774659198
Energy: 0.5194335345914879
Energy: 0.5083842176094542
Energy: 0.5086751527368216
Energy: 0.5291582277884642
Energy: 0.5190317375696509
Energy: 0.5069587378219548
Energy: 0.5199237085262433
Energy: 0.5078558640361713
Energy: 0.5213537531227946
Energy: 0.5231611439031049
Energy: 0.5200488118462562
Energy: 0.49241739454640693
Energy: 0.5189626218840889
Energy: 0.5317649669555009
Energy: 0.49224050902963196
Energy: 0.6097054273838709
Energy: 0.5062144552377107
Energy: 0.5044466156880946
Energy: 0.5194569288303522
Energy: 0.5220877760687669
Energy: 0.506685213012058
Energy: 0.5560750774366086
Energy: 0.517156607399159
Energy: 0.519114002897078
Energy: 0.5163472606482784
Energy: 0.5313709075027436
Energy: 0.5052562599414411
Energy: 0.6153993342465736
Energy: 0.7370214236993501
Energy: 0.4984772048172118
Energy: 0.49163376593133046
Energy: 0.739277286500138
Energy: 0.49975461704564095
Energy: 0.554960275114487
Energy: 0.5072136763103521
Energy: 0.5078511182004576
Energy: 0.5362555062475133
Energy: 0.49137756099486296
Energy: 0.4938840602941812
Energy: 0.5571265523313279
Energy: 0.5106647022386688
Energy: 0.5103117452641596
Energy: 0.5230564556277579
Energy: 0.5071215985006432
Energy: 0.5097148425168729
Energy: 0.5565300069004344
Energy: 0.507681417676473
Energy: 0.5068632237847909
Energy: 0.5173313335733052
Energy: 0.5329065048444177
Energy: 0.5053159959922107
Energy: 0.5557871681194335
Energy: 0.4948937666656965
Energy: 0.48895818037727495
Energy: 0.5380887010393898
Energy: 0.5080287799394093
Energy: 0.48956773197323666
Energy: 0.5636882929668501
Energy: 0.48992208379619373
Energy: 0.4894006584504674
Energy: 0.5140616377278561
Energy: 0.4944654181082751
Energy: 0.48943730835543026
Energy: 0.5245370369974202
Energy: 0.5176987816301654
Energy: 0.5047628595848007
Energy: 0.517324664923211
Energy: 0.5314001663056966
Energy: 0.5044505104487816
Energy: 0.5019867598564248
Energy: 0.5079449777690715
Energy: 0.5083862767506895
Energy: 0.5085161827065648
Energy: 0.5076144025614524
Energy: 0.5185899382958905
Energy: 0.5228690378152209
Energy: 0.5310968328586291
Energy: 0.5181870252088399
Energy: 0.5308572730082861
Energy: 0.5161075201045222
Energy: 0.5043807248804743
Energy: 0.6022245468786379
Energy: 0.5100245993855664
Energy: 0.5346842362720045
Energy: 0.5243090282106725
Energy: 0.5096516822401226
Energy: 0.5121031047515767
Energy: 0.5577546826215031
Energy: 0.4943227136170291
Energy: 0.49283821382174775
Energy: 0.5310100154415474
Energy: 0.536824744373621
Energy: 0.49232176094480284
Energy: 0.5274101755366227
Energy: 0.4955536370839392
Energy: 0.4908786410626839
Energy: 0.5083225013217283
Energy: 0.5355550364661215
Energy: 0.5176612352973589
Energy: 0.4943879178127631
Energy: 0.4910145105086718
Energy: 0.49154233968646344
Energy: 0.4929324819637744
Energy: 0.5352487775604464
Energy: 0.5069386216189128
Energy: 0.49077607236683385
Energy: 0.5180162838601968
Energy: 0.49336689425571556
Energy: 0.4914973218893504
Energy: 0.49441879659112564
Energy: 0.49252148799568984
Energy: 0.5320287709362518
Energy: 0.5098884553043259
Energy: 0.5098227343933114
Energy: 0.5081138862864134
Energy: 0.5113025237027932
Energy: 0.5104494514141125
Energy: 0.5231868627111957
Energy: 0.5174675406389821
Energy: 0.516095593851552
Energy: 0.5040916353116385
Energy: 0.5296939957519157
Energy: 0.49379916131323887
Energy: 0.553531063237051
Energy: 0.5199249767883293
Energy: 0.4899825044666471
Energy: 0.5003285674534802
Energy: 0.5205041402103662
Energy: 0.48946082415386655
Energy: 0.5533583446571929
Energy: 0.5298042744102837
Energy: 0.5047494125006826
Energy: 0.5155409480878439
Energy: 0.5185227265923055
Energy: 0.5050385532554268
Energy: 0.5300121397905614
Energy: 0.5210207952965188
Energy: 0.5084623516179076
Energy: 0.5201552222054999
Energy: 0.5226269630849296
Energy: 0.5086814222518081
Energy: 0.5274484281891564
Energy: 0.5064817133953904
Energy: 0.5052947754094136
Energy: 0.5192079987026365
Energy: 0.5187132469736503
Energy: 0.5073456904192016
Energy: 0.5235036378740671
Energy: 0.506510963661359
Energy: 0.49227263913172703
Energy: 0.5176455237091124
Energy: 0.529045252221493
Energy: 0.504456125747004
Energy: 0.5343309223902979
Energy: 0.5067970660858494
Energy: 0.507219339506715
Energy: 0.536148181518819
Energy: 0.508217763718627
Energy: 0.5090497101501735
Energy: 0.5547268616067861
Energy: 0.508573304591549
Energy: 0.5110754537174956
Energy: 0.5157395471620214
Energy: 0.5053997679167339
Energy: 0.5049130019038846
Energy: 0.616404889505655
Energy: 0.5085212173318212
Energy: 0.4984577548306032
Energy: 0.4911038116044843
Energy: 0.5075286317461987
Energy: 0.498938032978828
Energy: 0.5561465478591524
Energy: 0.5071901326152902
Energy: 0.5065857591359922
Energy: 0.5344000262964377
Energy: 0.4925468759004189
Energy: 0.4941093219323185
Energy: 0.5570865436663897
Energy: 0.5295268027590784
Energy: 0.5078687218665414
Energy: 0.5197806500608633
Energy: 0.5233630346519412
Energy: 0.5070240134956187
Energy: 0.5567910710544369
Energy: 0.5414914783066784
Energy: 0.5077687181009831
Energy: 0.5194960349397623
Energy: 0.5284834816099564
Energy: 0.5063508051278214
Energy: 0.5564316993311738
Energy: 0.5240259471269968
Energy: 0.4899180378720623
Energy: 0.5371797228253076
Energy: 0.5250852447767318
Energy: 0.49344706663552784
Energy: 0.5643534933260785
Energy: 0.4901805819431561
Energy: 0.4894452685876126
Energy: 0.521571996438691
Energy: 0.4974438916642313
Energy: 0.48993690286709757
Energy: 0.5232227500152444
Energy: 0.516202684644797
Energy: 0.5175995871844695
Energy: 0.5171346319768846
Energy: 0.5165764107397667
Energy: 0.5043641669089378
Energy: 0.5051334076807773
Energy: 0.509841473430372
Energy: 0.5200402264588236
Energy: 0.5067121090369837
Energy: 0.5094727086017905
Energy: 0.5193731479992573
Energy: 0.5230862320409433
Energy: 0.5163113149192179
Energy: 0.5048139353914736
Energy: 0.5076615735511678
Energy: 0.5164526109243378
Energy: 0.5040883733825298
Energy: 0.6025484296728401
Energy: 0.5190846662327074
Energy: 0.49368533619757676
Energy: 0.5216934850865222
Energy: 0.5193276603198692
Energy: 0.5085580516254579
Energy: 0.5548138194515008
Energy: 0.4946393677206273
Energy: 0.4930727635912903
Energy: 0.5327117433625875
Energy: 0.5386285577765949
Energy: 0.4930786882354962
Energy: 0.5248971615365574
Energy: 0.5176246448536962
Energy: 0.49158860110138525
Energy: 0.5082211362082009
Energy: 0.5346048136840708
Energy: 0.5057437722571241
Energy: 0.5314885736199682
Energy: 0.4935869666045958
Energy: 0.4908020903032072
Energy: 0.5091981957695947
Energy: 0.49420586150810014
Energy: 0.49253021544348563
Energy: 0.4897242846600404
Energy: 0.5369648584509614
Energy: 0.516840588175536
Energy: 0.49051670669595954
Energy: 0.5366756817479207
Energy: 0.5074618078528927
Energy: 0.736214585925033
Energy: 0.510173499017553
Energy: 0.5158105822498877
Energy: 0.7370961624438219
Energy: 0.5116251277117844
Energy: 0.518463114561697
Energy: 0.5230252689746433
Energy: 0.51823736175214
Energy: 0.5063582139737027
Energy: 0.5308527593667515
Energy: 0.5289463573898696
Energy: 0.5200563979453096
Energy: 0.5560060058159954
Energy: 0.5183397220910718
Energy: 0.4897003994717062
Energy: 0.495919166063161
Energy: 0.5174734995898658
Energy: 0.4898530158065414

minimum gb energy = 0.48895818037727495 eV
minimum distance =  2.41566031284442 Angstroms
sigma value = 67


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

Energy: 0.7445131673757284
Energy: 0.5321291708991291
Energy: 0.532318663814595
Energy: 0.5336052797031963
Energy: 0.5847945996121958
Energy: 0.5321876603213034
Energy: 0.6299463899266006
Energy: 0.5467467388866557
Energy: 0.5456997746936672
Energy: 0.5486824666035078
Energy: 0.5484623060018681
Energy: 0.5456130948906693
Energy: 0.5868409519685237
Energy: 0.5248035714861582
Energy: 0.5500107335201955
Energy: 0.5471981778318082
Energy: 0.5246300094563442
Energy: 0.5501104697770954
Energy: 0.5868152346691028
Energy: 0.5456963537532035
Energy: 0.5444885098323579
Energy: 0.5469190856860215
Energy: 0.5461251272062865
Energy: 0.5444961585494421
Energy: 0.5779790009101831
Energy: 0.5486977487410153
Energy: 0.5485313407243054
Energy: 0.5762034509613134
Energy: 0.5484929971893651
Energy: 0.5487851263877718
Energy: 0.5791401636431779
Energy: 0.5469514214251234
Energy: 0.5517099594313861
Energy: 0.5774028946441435
Energy: 0.5441361855110556
Energy: 0.5524011565984079
Energy: 0.6295849167729277
Energy: 0.5471913750183602
Energy: 0.5461543245440864
Energy: 0.5242665352222539
Energy: 0.5505037160384268
Energy: 0.5460787207075294

minimum gb energy = 0.5242665352222539 eV
minimum distance =  2.44883030917847 Angstroms
sigma value = 3


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

Energy: 0.8379844768410004
Energy: 0.6880748488899572
Energy: 0.6637055751765988
Energy: 0.6728716318647319
Energy: 0.6556219779165645
Energy: 0.6588261639365834
Energy: 0.6484816942514323
Energy: 0.6526081486433433
Energy: 0.6394661274999859
Energy: 0.6515979433216109
Energy: 0.6544277477020891
Energy: 0.6389078091591758
Energy: 0.6581472464816128
Energy: 0.6425979886185373
Energy: 0.6430826554190475
Energy: 0.6583356720369617
Energy: 0.6466573717947489
Energy: 0.6359596380323634
Energy: 0.63950185306016
Energy: 0.6344949566505371
Energy: 0.634960465986631
Energy: 0.6400208527858908
Energy: 0.6420967163310857
Energy: 0.6369201567931951
Energy: 0.6418176467263932
Energy: 0.6403897527904308
Energy: 0.639857407188693
Energy: 0.642058344848106
Energy: 0.6401323676269912
Energy: 0.6469569020311939
Energy: 0.6373293572291867
Energy: 0.6408904476216908
Energy: 0.6392457107907572
Energy: 0.6383136167056989
Energy: 0.6407594700001982
Energy: 0.6383633631289936
Energy: 0.6329028110252508
Energy: 0.6398724914647866
Energy: 0.6460388635132909
Energy: 0.6307727626777412
Energy: 0.6456222138587129
Energy: 0.6431944319580426
Energy: 0.7800846238863991
Energy: 0.6503821892682033
Energy: 0.6517091492693836
Energy: 0.6761073423840734
Energy: 0.6757586746396871
Energy: 0.6521264157029594
Energy: 0.6344909987116424
Energy: 0.6394638577700915
Energy: 0.6438208809318339
Energy: 0.6329213602112082
Energy: 0.6375125882213705
Energy: 0.6532900938244147
Energy: 0.6366760121487991
Energy: 0.6267799557280792
Energy: 0.626859305560851
Energy: 0.638818822982739
Energy: 0.6268308412992994
Energy: 0.643092166168223
Energy: 0.6449959517902895
Energy: 0.6466389517505875
Energy: 0.6454648929089306
Energy: 0.6450640225877625
Energy: 0.6385201867002025
Energy: 0.638551811240051
Energy: 0.6798872904579388
Energy: 0.6436662333981249
Energy: 0.6464998723404622
Energy: 0.6419806312079915
Energy: 0.6469064158472843
Energy: 0.6500267146616707
Energy: 0.6493503488780861
Energy: 0.6477774669246731
Energy: 0.6497774090158718
Energy: 0.634772165536005
Energy: 0.6459744330764244
Energy: 0.6402399620357908
Energy: 0.6405274094809587
Energy: 0.6356885893231929
Energy: 0.6371962495183522
Energy: 0.6576043975568728
Energy: 0.6343196596826524
Energy: 0.6398531830125506
Energy: 0.6806301280111622
Energy: 0.668410173040867
Energy: 0.6710211621822787
Energy: 0.6433766699972114
Energy: 0.6711734681564491
Energy: 0.6643852172347616
Energy: 0.6323068677445296
Energy: 0.6548600342640012
Energy: 0.6532381104681697
Energy: 0.6368384195136845
Energy: 0.6526907041687579
Energy: 0.6533934294257648
Energy: 0.7341915164528287
Energy: 0.6344894230612659
Energy: 0.6343140300733262
Energy: 0.6611398344931729
Energy: 0.6345730446987586
Energy: 0.6583416365392382
Energy: 0.6350633103520553
Energy: 0.6508844431062056
Energy: 0.6395884969438953
Energy: 0.6396405383943324
Energy: 0.653273874636262
Energy: 0.6620576397734065
Energy: 0.762482466346241
Energy: 0.6586742434077345
Energy: 0.6348740616745104
Energy: 0.6712280424386806
Energy: 0.6568058038941197
Energy: 0.6259035883197929
Energy: 0.7047619042072321
Energy: 0.6355146497239803
Energy: 0.6359618004493881
Energy: 0.6329909191889147
Energy: 0.6352606993908403
Energy: 0.6262309186080155
Energy: 0.6497285254613703
Energy: 0.6410100684455989
Energy: 0.6420818948924949
Energy: 0.6386387490016776
Energy: 0.6421402994380271
Energy: 0.6415157581286826
Energy: 0.6417020124432196
Energy: 0.6410290927168358
Energy: 0.6399374602127696
Energy: 0.641121989121507
Energy: 0.6415619646455276
Energy: 0.6391901678478273
Energy: 0.6390611676707291
Energy: 0.637528877994556
Energy: 0.6380313234766924
Energy: 0.6386017106907647
Energy: 0.636587432032973
Energy: 0.6366252593617726
Energy: 0.6737038486979361
Energy: 0.6646102756338814
Energy: 0.6653036446176166
Energy: 0.6381760792179171
Energy: 0.6592873182512115
Energy: 0.6365676929686783
Energy: 0.657644684135108
Energy: 0.6331372668849187
Energy: 0.6543987883350478
Energy: 0.6606308039339176
Energy: 0.6354545644488864
Energy: 0.6548316117071833
Energy: 0.7597348101906632
Energy: 0.649548433952667
Energy: 0.6458528407151167
Energy: 0.6463565244560403
Energy: 0.6469219958875062
Energy: 0.6405235416898157
Energy: 0.6271105753392591
Energy: 0.6429238393220947
Energy: 0.6417767776967946
Energy: 0.6471619594910131
Energy: 0.6377056917769752
Energy: 0.656284777200963
Energy: 0.6585763055143363
Energy: 0.6542171409529676
Energy: 0.656844687201057
Energy: 0.6601297245954871
Energy: 0.6531993154977279
Energy: 0.6561652824131765
Energy: 0.6356417053482241
Energy: 0.6428869135424864
Energy: 0.6424206925012297
Energy: 0.635805414490441
Energy: 0.6435950756311484
Energy: 0.6363975007517214
Energy: 0.6306453531639776
Energy: 0.6397758814661071
Energy: 0.6383817226990176
Energy: 0.6311339113645289
Energy: 0.6591117504682557
Energy: 0.6378206611887007
Energy: 0.6383290376628921
Energy: 0.6374882188930031
Energy: 0.6374922029598781
Energy: 0.6391789661510852
Energy: 0.6381578016767718
Energy: 0.637338075082487
Energy: 0.6378259697656651
Energy: 0.6394823662831945
Energy: 0.6487380821513425
Energy: 0.6382584762504883
Energy: 0.6391962025788697
Energy: 0.6432951660066638
Energy: 0.7322096148188346
Energy: 0.6572029014346217
Energy: 0.656640483649523
Energy: 0.6391582267037722
Energy: 0.6696888395672722
Energy: 0.6353033963266127
Energy: 0.7163860948838909
Energy: 0.6438448486105858
Energy: 0.6461885936968436
Energy: 0.6615363606411462
Energy: 0.6327489246167154
Energy: 0.6461378832869421
Energy: 0.643606217631705
Energy: 0.641731958923743
Energy: 0.641912600464505
Energy: 0.6313907147305976
Energy: 0.6445828267046534
Energy: 0.646016380574761
Energy: 0.6753897312074343
Energy: 0.6268511481967363
Energy: 0.6268064496570095
Energy: 0.6710033135448324
Energy: 0.6270602774031457
Energy: 0.660236984980229
Energy: 0.6864145236654531
Energy: 0.6385550830315874
Energy: 0.6409757196506694
Energy: 0.6394820006147485
Energy: 0.6354386504484137
Energy: 0.6455987913552415
Energy: 0.7490902139594693
Energy: 0.6404269259112602
Energy: 0.6389359901268956
Energy: 0.6301317758175791
Energy: 0.6416325020602432
Energy: 0.6621941587283153
Energy: 0.6438538359909816
Energy: 0.6358984768883327
Energy: 0.6423415259900933
Energy: 0.6475054730836646
Energy: 0.6338622044001231
Energy: 0.6449641252094563
Energy: 0.6804703085051832
Energy: 0.6358628827080992
Energy: 0.6361214586483802
Energy: 0.6391205239806369
Energy: 0.6358273225852797
Energy: 0.6365519471600477
Energy: 0.6850266447719433
Energy: 0.6617667977561706
Energy: 0.6338979105593264
Energy: 0.6525810855827019
Energy: 0.6666095062669688
Energy: 0.6339877131218432
Energy: 0.706842442519642
Energy: 0.6345833387039099
Energy: 0.6530442987345134
Energy: 0.6676044780521032
Energy: 0.6334585089003312
Energy: 0.6422797003751127
Energy: 0.7087930556132657
Energy: 0.6344599672257398
Energy: 0.6343646856993884
Energy: 0.6673566028950744
Energy: 0.6340238551760286
Energy: 0.6561158585726958
Energy: 0.6352520088983615
Energy: 0.6559079997534051
Energy: 0.6531231399496067
Energy: 0.63021808519957
Energy: 0.6574784581467733
Energy: 0.6530984048285242
Energy: 0.7680085807539446
Energy: 0.668440990236854
Energy: 0.6703158397070933
Energy: 0.6721572943755073
Energy: 0.666074970030201
Energy: 0.6691775308827105
Energy: 0.6398326024272334
Energy: 0.6359374983712931
Energy: 0.6354830323630574
Energy: 0.6365337166898806
Energy: 0.6379583165574912
Energy: 0.6364544715514068
Energy: 0.6416717920258441
Energy: 0.6410525991223287
Energy: 0.6397910877116998
Energy: 0.6426705876684734
Energy: 0.6405456415970411
Energy: 0.648667200096606
Energy: 0.6473325073077075
Energy: 0.6418652620521308
Energy: 0.6407816692941427
Energy: 0.6450555464659185
Energy: 0.6405404528538943
Energy: 0.6398933400279863
Energy: 0.6433887696772536
Energy: 0.6368395580365476
Energy: 0.6367148145592181
Energy: 0.6436548819120842
Energy: 0.6343213482872572
Energy: 0.6369693121157867
Energy: 0.6636440466819666
Energy: 0.6357557945116339
Energy: 0.635678158196757
Energy: 0.6638756909562907
Energy: 0.6336497838565562
Energy: 0.6358873306658481
Energy: 0.6399193489801018
Energy: 0.641908163797685
Energy: 0.6400830537158456
Energy: 0.6386300591031011
Energy: 0.6385127752730503
Energy: 0.639438664808947

minimum gb energy = 0.6259035883197929 eV
minimum distance =  2.38644200213946 Angstroms
sigma value = 81


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

Energy: 1.098598994865379
Energy: 0.6265269752142317
Energy: 0.6287993105685994
Energy: 0.6222207252505237
Energy: 0.6464433281931475
Energy: 0.6268054583423434
Energy: 0.6358963127746465
Energy: 0.6313842465117466
Energy: 0.6347583467265072
Energy: 0.6370323885118792
Energy: 0.6337292286448073
Energy: 0.6362355784357536
Energy: 0.6605565530088742
Energy: 0.621971055871539
Energy: 0.6244959176347108
Energy: 0.6671359793410694
Energy: 0.6241499198479064
Energy: 0.6477207274791007
Energy: 0.6357065513330284
Energy: 0.6214569680800782
Energy: 0.6337900974678163
Energy: 0.6358181384793756
Energy: 0.6232889387965044
Energy: 0.6374020244387334
Energy: 0.6373511616651936
Energy: 0.6346293892392474
Energy: 0.6348250227366975
Energy: 0.6350788277607792
Energy: 0.6337675942907904
Energy: 0.6347414338088178
Energy: 0.646657263470011
Energy: 0.634329238933696
Energy: 0.6352253049820971
Energy: 0.6435110919203937
Energy: 0.6336931422341276
Energy: 0.6354090607378522
Energy: 0.6339537151503148
Energy: 0.626229950155717
Energy: 0.6317113874408548
Energy: 0.6636325489923734
Energy: 0.6210765094301202
Energy: 0.6289642123664798
Energy: 0.7464062927710892
Energy: 0.6845988361550609
Energy: 0.6662986466078735
Energy: 0.6590621962244387
Energy: 0.6974909518384308
Energy: 0.6584621920363901
Energy: 0.6236759801901102
Energy: 0.6272769905467398
Energy: 0.6333165763343463
Energy: 0.6517536040839388
Energy: 0.6196216492499435
Energy: 0.6298933680212104
Energy: 0.6511910664990125
Energy: 0.5967876675636875
Energy: 0.5962310094768111
Energy: 0.6560137098863125
Energy: 0.5975706913499894
Energy: 0.5960102690649534
Energy: 0.6278527736678886
Energy: 0.6021090630220999
Energy: 0.5978738390389879
Energy: 0.6315341074105273
Energy: 0.6069180073510584
Energy: 0.6256666479214743
Energy: 0.6232068541184813
Energy: 0.6279451886866
Energy: 0.62648604224167
Energy: 0.6215702141162884
Energy: 0.6176258714754331
Energy: 0.6310721566968374
Energy: 0.62422397539639
Energy: 0.6211650449722299
Energy: 0.627537430839025
Energy: 0.6246259329232632
Energy: 0.6403619401907893
Energy: 0.6284615059039157
Energy: 0.6436395067857819
Energy: 0.6356809958970067
Energy: 0.6338427381119053
Energy: 0.6350379891895866
Energy: 0.6363473077087297
Energy: 0.6347166287830067
Energy: 0.7655381694395613
Energy: 0.6899741006880112
Energy: 0.6874599234064764
Energy: 0.6397274323769535
Energy: 0.6821377724555557
Energy: 0.6375256654467687
Energy: 0.6520974322672491
Energy: 0.6350819991776507
Energy: 0.634450804925043
Energy: 0.6471851919743049
Energy: 0.6360531034202332
Energy: 0.6350597956647438
Energy: 0.7297612120140963
Energy: 0.622248406258086
Energy: 0.6389620646729091
Energy: 0.6617041562539939
Energy: 0.6203028504379874
Energy: 0.6417714560099538
Energy: 0.6256939366924105
Energy: 0.6360478565706946
Energy: 0.6388484863254825
Energy: 0.6230008611840517
Energy: 0.6285689181143937
Energy: 0.6378104095987688
Energy: 0.7014289131100799
Energy: 0.6285908151729263
Energy: 0.5953885409594295
Energy: 0.595693601691765
Energy: 0.6355898942759579
Energy: 0.5950327396207192
Energy: 0.7026638811310623
Energy: 0.6288795771186233
Energy: 0.5957272172286896
Energy: 0.5936876230373279
Energy: 0.6348415743501834
Energy: 0.5954011986449889
Energy: 0.6257433351671602
Energy: 0.6302420645828286
Energy: 0.6391095144273218
Energy: 0.6235380780065855
Energy: 0.6280251744008973
Energy: 0.6278842910885623
Energy: 0.6397458392425062
Energy: 0.6381075278979075
Energy: 0.6329367634176367
Energy: 0.6556523408624666
Energy: 0.6306421442811809
Energy: 0.6332202126660528
Energy: 0.6474721654100001
Energy: 0.6357263329249714
Energy: 0.6360964444064163
Energy: 0.6481884413935906
Energy: 0.6349417252436215
Energy: 0.634379026086826
Energy: 0.6488189612306395
Energy: 0.6368849097572097
Energy: 0.641511423538944
Energy: 0.6390034679186378
Energy: 0.6376894711133536
Energy: 0.6413686480285139
Energy: 0.6435394427508266
Energy: 0.6350215836294689
Energy: 0.6344458951489035
Energy: 0.6664609973213564
Energy: 0.6364689374234144
Energy: 0.634485857411323
Energy: 0.7006119117614356
Energy: 0.6654752926829918
Energy: 0.664105694792926
Energy: 0.6159981950172405
Energy: 0.661343802459473
Energy: 0.6646899816647283
Energy: 0.705475018427652
Energy: 0.6273836677650523
Energy: 0.6260714643866109
Energy: 0.6144775160059299
Energy: 0.626979941974554
Energy: 0.6324971075414667
Energy: 0.6264288620982491
Energy: 0.5973014227694748
Energy: 0.6243477312595865
Energy: 0.6266314843382222
Energy: 0.6076008147327042
Energy: 0.6239635314473588
Energy: 0.6457590083415019
Energy: 0.596992751445787
Energy: 0.5969269941938609
Energy: 0.6433198942150522
Energy: 0.5981252272015742
Energy: 0.6273115031380313
Energy: 0.6265296982851054
Energy: 0.6254309663375214
Energy: 0.6310743368790773
Energy: 0.6276361136933486
Energy: 0.6237519743452706
Energy: 0.6283340989114659
Energy: 0.6246683295083026
Energy: 0.6448577270147258
Energy: 0.6192221734957285
Energy: 0.6252891845260526
Energy: 0.6581225436464856
Energy: 0.6229550247999772
Energy: 0.6374709133484482
Energy: 0.6184190207953585
Energy: 0.6266831321477444
Energy: 0.6312931538881287
Energy: 0.6189100084892591
Energy: 0.6296799945262889
Energy: 0.7096613293729204
Energy: 0.6332817623371808
Energy: 0.6330755365709078
Energy: 0.6390914243966987
Energy: 0.6348981392187707
Energy: 0.6352657852752105
Energy: 0.6415600181429426
Energy: 0.6364808301651778
Energy: 0.6365047957394789
Energy: 0.6646832630264408
Energy: 0.6227188816382834
Energy: 0.6364307703252567
Energy: 0.6415212409756609
Energy: 0.6341489891151171
Energy: 0.6380272803629455
Energy: 0.6409560764855159
Energy: 0.6150099597483981
Energy: 0.6389125051209162
Energy: 0.7288865592593566
Energy: 0.6201055818397374
Energy: 0.6205243126149436
Energy: 0.693215004111315
Energy: 0.6192503194264206
Energy: 0.6523351155487668
Energy: 0.6344655553066288
Energy: 0.6257948889572827
Energy: 0.6324296081628256
Energy: 0.6367621254977127
Energy: 0.6200813338797683
Energy: 0.6368819228673994
Energy: 0.8067863192279108
Energy: 0.6576958357094326
Energy: 0.6258150141956446
Energy: 0.6179211634345921
Energy: 0.6589197736271286
Energy: 0.6222219177421366

minimum gb energy = 0.5936876230373279 eV
minimum distance =  2.39990993710322 Angstroms
sigma value = 43


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

Energy: 0.8798435937088729
Energy: 0.638028768951139
Energy: 0.6270664560853315
Energy: 0.6339829516391058
Energy: 0.656852224593853
Energy: 0.6341642586146357
Energy: 0.6116170858804263
Energy: 0.6373335045375174
Energy: 0.6229595007630419
Energy: 0.6480548582524102
Energy: 0.6196468723377855
Energy: 0.6260731361473552
Energy: 0.6235839722743917
Energy: 0.612797038760623
Energy: 0.6127980787624109
Energy: 0.6235518241147298
Energy: 0.6127848174048975
Energy: 0.6234518137694384
Energy: 0.6227715120330164
Energy: 0.6294214633517907
Energy: 0.6239012898810162
Energy: 0.6226095401721459
Energy: 0.6127942924345257
Energy: 0.6230404783118217
Energy: 0.626069871868925
Energy: 0.629139304400301
Energy: 0.6275204710000625
Energy: 0.6245931506208476
Energy: 0.6241031466803691
Energy: 0.6252713707035973
Energy: 0.6246992819737242
Energy: 0.625009493686083
Energy: 0.6259152050372877
Energy: 0.6238489781793323
Energy: 0.6270328987520948
Energy: 0.6266235194358731
Energy: 0.6258875549159512
Energy: 0.6228827064197878
Energy: 0.6225405787575904
Energy: 0.6247765872584106
Energy: 0.6237923261731836
Energy: 0.6240308937458546
Energy: 0.693844704857184
Energy: 0.6235334032513354
Energy: 0.6235455680887182
Energy: 0.6167178491881045
Energy: 0.6237305013731501
Energy: 0.6933052592868528
Energy: 0.6206681170177476
Energy: 0.6247697374687258
Energy: 0.6241268208828342
Energy: 0.6210662533414811
Energy: 0.625018925565188
Energy: 0.6236807689010755
Energy: 0.6186438814000045
Energy: 0.6238797470949085
Energy: 0.6240555023782822
Energy: 0.6257281289256625
Energy: 0.6235652494721104
Energy: 0.624052655206346
Energy: 0.6189493621344909
Energy: 0.630705060779726
Energy: 0.6174903114888024
Energy: 0.6185114470542182
Energy: 0.6272257944405542
Energy: 0.62173031951814
Energy: 0.6278008783390873
Energy: 0.6239467845899392
Energy: 0.6239475218257555
Energy: 0.6193677279491263
Energy: 0.6577288188464251
Energy: 0.6323478811025046
Energy: 0.7168278311342982
Energy: 0.6235055218497645
Energy: 0.6309104086437105
Energy: 0.6136667526753652
Energy: 0.6236630184882901
Energy: 0.6309442477440292
Energy: 0.6195508113921196
Energy: 0.6329004659389674
Energy: 0.6351420029623416
Energy: 0.6187122362152757
Energy: 0.625585866562019
Energy: 0.6231747124666019
Energy: 0.6187959400478754
Energy: 0.6175078381703107
Energy: 0.6175061388770057
Energy: 0.6233516156193902
Energy: 0.6108602824261731
Energy: 0.622585719499923
Energy: 0.6181789371203614
Energy: 0.632808705004234
Energy: 0.6275163107810094
Energy: 0.6179945431935929
Energy: 0.6350555243949073
Energy: 0.6226751353922192
Energy: 0.6191626407462867
Energy: 0.6184131064297327
Energy: 0.6308968965990251
Energy: 0.6192234869138196
Energy: 0.6216259707027065
Energy: 0.6191379436406381
Energy: 0.6186951589280575
Energy: 0.6238066969558883
Energy: 0.6180041130795223
Energy: 0.6365074455844125
Energy: 0.6446687666313998
Energy: 0.6185499266011109
Energy: 0.6191694640136445
Energy: 0.6185027434806434
Energy: 0.6184230770550513
Energy: 0.6250404638443388
Energy: 0.6195537381699395
Energy: 0.6238549618126907
Energy: 0.6937500770732685
Energy: 0.6183957011594894
Energy: 0.6189342652181962
Energy: 0.6243479782875557
Energy: 0.6361637593795425
Energy: 0.6323284988406156
Energy: 0.6180453076437821
Energy: 0.6248305844601582
Energy: 0.6197596444890278
Energy: 0.6353262334993085
Energy: 0.6253204348438706
Energy: 0.6186213632163949
Energy: 0.6977202578448093
Energy: 0.6665185166578796
Energy: 0.6620714057755562
Energy: 0.6348370426191978
Energy: 0.6125824509166451
Energy: 0.6622608725925969
Energy: 0.6328695171863555
Energy: 0.6248956927535797
Energy: 0.62489035238836
Energy: 0.6276408802049946
Energy: 0.6399728980764323
Energy: 0.6432763733806416
Energy: 0.674070651543381
Energy: 0.6548194756968228
Energy: 0.6182701649476166
Energy: 0.6201286644101982
Energy: 0.7083335622593194
Energy: 0.6189764853680125
Energy: 0.6376188845426597
Energy: 0.6178954452892642
Energy: 0.618280716943103
Energy: 0.6311599824533431
Energy: 0.6179675853450017
Energy: 0.6236503244435838
Energy: 0.6608088599835081
Energy: 0.624328537526895
Energy: 0.623410624239305
Energy: 0.6188086364127169
Energy: 0.6195561577313417
Energy: 0.6183830492254843
Energy: 0.6601530193369058
Energy: 0.6251529731151606
Energy: 0.6232027540398944
Energy: 0.6335650549602867
Energy: 0.6275523765182875
Energy: 0.6227451388875536
Energy: 0.6506263296792771
Energy: 0.6316894750144428
Energy: 0.6330686440882033
Energy: 0.6237980057637822
Energy: 0.6241699344073993
Energy: 0.6238421151148028
Energy: 0.6270663354181767
Energy: 0.6231947161583058
Energy: 0.6228346011574867
Energy: 0.6271062727078027
Energy: 0.6159283200960302
Energy: 0.6690768088246585
Energy: 0.622044047870088
Energy: 0.624548891975297
Energy: 0.6345118641626208
Energy: 0.6482047633687126
Energy: 0.6192636781790882
Energy: 0.6255643447238882
Energy: 0.8235167561380254
Energy: 0.6462821641636032
Energy: 0.6139720585503117
Energy: 0.6322169211554283
Energy: 0.6176075201834718
Energy: 0.6136705722399823

minimum gb energy = 0.6108602824261731 eV
minimum distance =  2.3870269650328 Angstroms
sigma value = 57


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

Energy: 0.7612030193921181
Energy: 0.6338752804616193
Energy: 0.6338559288836276
Energy: 0.5875004302459776
Energy: 0.7277679281580773
Energy: 0.6335929359324511
Energy: 0.6471830303967413
Energy: 0.61192705502384
Energy: 0.6146168655164752
Energy: 0.6325228273545049
Energy: 0.6288504678135078
Energy: 0.6177292342887879
Energy: 0.6218919123332493
Energy: 0.594202665159869
Energy: 0.5938560714882403
Energy: 0.6267414436023411
Energy: 0.5946887879635152
Energy: 0.5944241428063153
Energy: 0.6224238452398202
Energy: 0.5937059504285451
Energy: 0.5941230657278103
Energy: 0.6210337238318686
Energy: 0.5939828307474064
Energy: 0.6135136870646877
Energy: 0.6232816849042047
Energy: 0.6117191484034308
Energy: 0.6095033785049976
Energy: 0.611562985940881
Energy: 0.6114319203297034
Energy: 0.6122922071898032
Energy: 0.5849716071892924
Energy: 0.6132150097346822
Energy: 0.6117237027121284
Energy: 0.6131870769808684
Energy: 0.6106649114055689
Energy: 0.6115000515526079
Energy: 0.6333971587481196
Energy: 0.613921697829309
Energy: 0.6123532734527829
Energy: 0.6175972994546342
Energy: 0.6218216683282436
Energy: 0.6102176839003918
Energy: 0.6219481531559043
Energy: 0.6154718040528047
Energy: 0.6166600823517752
Energy: 0.6086676679850401
Energy: 0.6152917377085492
Energy: 0.6159574665673839
Energy: 0.6296875640020937
Energy: 0.6136473762407875
Energy: 0.6180069882798309
Energy: 0.617547823930272
Energy: 0.6141093381671006
Energy: 0.6138116053340652
Energy: 0.6259323374105688
Energy: 0.6106562664230274
Energy: 0.6124474967946527
Energy: 0.6328171631349233
Energy: 0.6070679755083853
Energy: 0.6152622931862517
Energy: 0.6608545818782312
Energy: 0.6079464148840378
Energy: 0.6235071187974441
Energy: 0.6275482114248456
Energy: 0.6163596733397346
Energy: 0.612443012704404
Energy: 0.5833971689713144
Energy: 0.6149005236921523
Energy: 0.6131124879419871
Energy: 0.585398432587509
Energy: 0.6194263467310184
Energy: 0.594560217906705
Energy: 0.5848925819494557
Energy: 0.6206501501236052
Energy: 0.6441674943298068
Energy: 0.5940809667153915
Energy: 0.6209372146086172
Energy: 0.5991886685190544
Energy: 0.6198849471122887
Energy: 0.6146479490574528
Energy: 0.6144140743518627
Energy: 0.6274886863529268
Energy: 0.6176507497147498
Energy: 0.6148099199009328
Energy: 0.6198570133719561
Energy: 0.5855547112219837
Energy: 0.5887059782358582
Energy: 0.6198945528161487
Energy: 0.5849851006174286
Energy: 0.5868186891685775
Energy: 0.624612002240091
Energy: 0.6078468446389819
Energy: 0.6070576228652786
Energy: 0.6214504930915612
Energy: 0.6136285619476495
Energy: 0.6094611862640595
Energy: 0.6239276162717643
Energy: 0.6108680572911319
Energy: 0.6111557011230967
Energy: 0.6120398174123876
Energy: 0.6104994982612172
Energy: 0.6093215775284474
Energy: 0.6232831517430526
Energy: 0.6163740292938652
Energy: 0.610011678415824
Energy: 0.6116519337153942
Energy: 0.6109589521247738
Energy: 0.6081943536010557
Energy: 0.6337397960829981
Energy: 0.6211485335762666
Energy: 0.6165545386447877
Energy: 0.6132530853248478
Energy: 0.6212180876401029
Energy: 0.6138503667031039
Energy: 0.6337630407124403
Energy: 0.6203781488740334
Energy: 0.6162062976385745
Energy: 0.6130237452852395
Energy: 0.6221253903776933
Energy: 0.6148682201777305
Energy: 0.6273201665494456
Energy: 0.6171957032938875
Energy: 0.6150242247102715
Energy: 0.6273821930596861
Energy: 0.6129137673034115
Energy: 0.6122744983239699
Energy: 0.6804654541617174
Energy: 0.6129861127044116
Energy: 0.6154472335759613
Energy: 0.6490432706132535
Energy: 0.6111113290923075
Energy: 0.6138665166491394
Energy: 0.6197336978327584
Energy: 0.6172302686858675
Energy: 0.6159812971212913
Energy: 0.627399093504914
Energy: 0.6309145749214767
Energy: 0.6141051199163953
Energy: 0.5834700785103752
Energy: 0.6207010954120246
Energy: 0.6441101083242455
Energy: 0.5941257222801574
Energy: 0.6179356165263433
Energy: 0.5964372460596412

minimum gb energy = 0.5833971689713144 eV
minimum distance =  2.4201183044576 Angstroms
sigma value = 17


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

Energy: 0.9275340644757518
Energy: 0.6757411634677453
Energy: 0.725637404040189
Energy: 0.5801809751919982
Energy: 0.6316514254378399
Energy: 0.5847996221218773
Energy: 0.582150908500775
Energy: 0.6450212418674947
Energy: 0.6146152818332038
Energy: 0.6544934972291531
Energy: 0.6554612233338444
Energy: 0.6087111052110995
Energy: 0.6292784930028291
Energy: 0.5895664245656161
Energy: 0.590335289087576
Energy: 0.6390601379552467
Energy: 0.58952849907585
Energy: 0.5830395824594302
Energy: 0.6437963812608299
Energy: 0.5861760328087696
Energy: 0.5830927219104912
Energy: 0.6442611205370296
Energy: 0.5802812511873564
Energy: 0.6093359991369608
Energy: 0.5748888988114983
Energy: 0.5788690807410184
Energy: 0.57706812647657
Energy: 0.5751435160592477
Energy: 0.5784462481503841
Energy: 0.5770542833991983
Energy: 0.5908682429703428
Energy: 0.5770395750273091
Energy: 0.5768947666224066
Energy: 0.5835605262734714
Energy: 0.5680214647998658
Energy: 0.5575007512146839
Energy: 0.5663302243619931
Energy: 0.5667159807962426
Energy: 0.5659517445304578
Energy: 0.5764799422399215
Energy: 0.5701017926197782
Energy: 0.5654665276901917
Energy: 0.5812025038952386
Energy: 0.5596539299805398
Energy: 0.5595624231108605
Energy: 0.558690489204976
Energy: 0.5612606433058578
Energy: 0.5976278010427858
Energy: 0.5689254475489172
Energy: 0.5597852188897601
Energy: 0.5594028461880386
Energy: 0.5700787183395499
Energy: 0.5588295968544452
Energy: 0.5656273394508466
Energy: 0.5675165563469169
Energy: 0.5765957384029043
Energy: 0.5768938170435539
Energy: 0.5668535809910477
Energy: 0.5770169368022022
Energy: 0.5781985883044969
Energy: 0.5797942081779062
Energy: 0.5766207656821439
Energy: 0.5771156853402192
Energy: 0.5781905708531209
Energy: 0.6130012377390546
Energy: 0.5771129309859202
Energy: 0.5724059206351977
Energy: 0.6419285434139846
Energy: 0.6412868853485852
Energy: 0.5628580241249651
Energy: 0.6451534636616941
Energy: 0.6092485972865651
Energy: 0.6419948086620396
Energy: 0.6381210128180373
Energy: 0.642694550070733
Energy: 0.5765184289957682
Energy: 0.637408534861643
Energy: 0.6437245840550386
Energy: 0.571261322997324
Energy: 0.6457775154799055
Energy: 0.6083813889491552
Energy: 0.5681700841129419
Energy: 0.6559095556702601
Energy: 0.607353499576475
Energy: 0.6314469049590673
Energy: 0.640970817020859
Energy: 0.6093046984583541
Energy: 0.6328533726047476
Energy: 0.6358830267736876
Energy: 0.6096902759789113
Energy: 0.5914812301644877
Energy: 0.656436102131567
Energy: 0.6098747644413111
Energy: 0.6561551124926963
Energy: 0.6523856542286288
Energy: 0.6452532054914443
Energy: 0.6331019188253616
Energy: 0.6328144139519495
Energy: 0.6767584497190934
Energy: 0.5807269848844888
Energy: 0.6335005789199978
Energy: 0.5895563528068546

minimum gb energy = 0.5575007512146839 eV
minimum distance =  2.42328635453193 Angstroms
sigma value = 17


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

Energy: 0.9819166413847669
Energy: 0.6820617831589997
Energy: 0.5988589280345858
Energy: 0.5976535041326642
Energy: 0.9015121082912989
Energy: 0.5995814349760173
Energy: 0.5884258174987357
Energy: 0.5594211827976316
Energy: 0.5553203749207685
Energy: 0.6188879415306494
Energy: 0.5667764128242229
Energy: 0.593406012800051
Energy: 0.7339766551719219
Energy: 0.5305385207403822
Energy: 0.576029943713115
Energy: 0.6400474073599893
Energy: 0.5470475000266012
Energy: 0.5788831894233547
Energy: 0.5659599822629615
Energy: 0.5778257565376749
Energy: 0.5779273865948112
Energy: 0.5744011983229482
Energy: 0.5378161631477117
Energy: 0.5773492914023961
Energy: 0.5598852777976588
Energy: 0.5582519313975397
Energy: 0.5560060969157589
Energy: 0.560525720200283
Energy: 0.5567762066248887
Energy: 0.5505350803573547
Energy: 0.5750778296716724
Energy: 0.5574392675329451
Energy: 0.5303248954566586
Energy: 0.5294403066880096
Energy: 0.5517503727607057
Energy: 0.5293591592945603
Energy: 0.5161495592015728
Energy: 0.5510881688829442
Energy: 0.5510196504665175
Energy: 0.5218423908757811
Energy: 0.5548060842109397
Energy: 0.5223078333530424
Energy: 0.5175513626759886
Energy: 0.5124272232849881
Energy: 0.5224461615925238
Energy: 0.5223646340051344
Energy: 0.5125039022290816
Energy: 0.5221394149427301
Energy: 0.5164027134972891
Energy: 0.5243148578908772
Energy: 0.5236782296520042
Energy: 0.5174054379031217
Energy: 0.5193597158597485
Energy: 0.5167563987301435
Energy: 0.5160947505804778
Energy: 0.5112028104043491
Energy: 0.5114863801537137
Energy: 0.5159005256446842
Energy: 0.5130819227764816
Energy: 0.5119999528976158
Energy: 0.5167660249129047
Energy: 0.511899243600279
Energy: 0.5118307299334446
Energy: 0.5119285810734029
Energy: 0.5157038599788625
Energy: 0.511286129437021
Energy: 0.5650938732247107
Energy: 0.5168240114340998
Energy: 0.5166326578626911
Energy: 0.5253891510942263
Energy: 0.5193537613726165
Energy: 0.5246128920564608
Energy: 0.5268648618685925
Energy: 0.551650426969138
Energy: 0.5224777524640458
Energy: 0.5252979724767805
Energy: 0.5229886850663109
Energy: 0.5228159621358085
Energy: 0.554547069801091
Energy: 0.5304045505716055
Energy: 0.5223514860008363
Energy: 0.5556081311838266
Energy: 0.5211861370960841
Energy: 0.5509748684712887
Energy: 0.552209462985154
Energy: 0.5224539828316663
Energy: 0.5247714923870032
Energy: 0.5522436676191936
Energy: 0.5233409713517078
Energy: 0.5561653369925751
Energy: 0.6241353751232105
Energy: 0.5533456225106265
Energy: 0.5593774574875612
Energy: 0.5611894407411494
Energy: 0.5601663694950417
Energy: 0.5592818795112418
Energy: 0.5164419265881441
Energy: 0.636005241514728
Energy: 0.6221253660992649
Energy: 0.5190597439708066
Energy: 0.6395011324678236
Energy: 0.5573513582767822
Energy: 0.517298332151103
Energy: 0.6337488381227103
Energy: 0.6201353347355671
Energy: 0.5566779983055692
Energy: 0.639853107721801
Energy: 0.5575905804941329
Energy: 0.5557182538877551
Energy: 0.6193443560470159
Energy: 0.5949238304015018
Energy: 0.575793756105337
Energy: 0.564907476793128
Energy: 0.5572931713125464
Energy: 0.7413726207025175
Energy: 0.5573253186275644
Energy: 0.5578839415403116
Energy: 0.6354076908889426
Energy: 0.5512373564310558
Energy: 0.6166647295157158
Energy: 0.6853001671605607
Energy: 0.6169523396090332
Energy: 0.6345216223203634
Energy: 0.6355981123915068
Energy: 0.6224358038234463
Energy: 0.6179125911488678
Energy: 0.5233703650902481
Energy: 0.6224828943612224
Energy: 0.6598551025928161
Energy: 0.5774320465908456
Energy: 0.6214952333473868
Energy: 0.5789692586459202
Energy: 0.5256849417606295
Energy: 0.6377829439614624
Energy: 0.6449068741215636
Energy: 0.5272653526049089
Energy: 0.6375080807559945
Energy: 0.6515089253414489
Energy: 0.7358174951566928
Energy: 0.5662038323506869
Energy: 0.6060597458163992
Energy: 0.636579501873627
Energy: 0.5254076594775535
Energy: 0.6174323934255015
Energy: 0.6341861512547353
Energy: 0.5248969440500516
Energy: 0.5766660381210068
Energy: 0.6359510658420368
Energy: 0.5290326996945648
Energy: 0.5771162231122178
Energy: 0.5603691773397441
Energy: 0.5648950087164056
Energy: 0.5598948820930901
Energy: 0.5614265647298162
Energy: 0.5618409100203808
Energy: 0.5615398798497659
Energy: 0.579950439974999
Energy: 0.5966983487020558
Energy: 0.5751978459205394
Energy: 0.5243123579044137
Energy: 0.5538763344146733
Energy: 0.5231593539559304
Energy: 0.5129124154017143
Energy: 0.5558330090489642
Energy: 0.5522141719152921
Energy: 0.5137895065886491
Energy: 0.5525811303984212
Energy: 0.5513259449437402
Energy: 0.5173383992963362
Energy: 0.5204255534378094
Energy: 0.5200331032303246
Energy: 0.5243373016643618
Energy: 0.5534510571844393
Energy: 0.5199209225037161
Energy: 0.5242823954070088
Energy: 0.5115838356288859
Energy: 0.5221091042605467
Energy: 0.5164956303706926
Energy: 0.5116749187463047
Energy: 0.5219720850574785
Energy: 0.5199424528299535
Energy: 0.5121744379862676
Energy: 0.5111878103545252
Energy: 0.5209737571584823
Energy: 0.5116601891336048
Energy: 0.5104876817978624
Energy: 0.5278795312434879
Energy: 0.5116112233240763
Energy: 0.5117891496151146
Energy: 0.5173845115068496
Energy: 0.5115225297512193
Energy: 0.5117362558153797
Energy: 0.568592004663112
Energy: 0.5203869017395422
Energy: 0.5163436775215168
Energy: 0.568390441462793
Energy: 0.5171182636705511
Energy: 0.5157803862634743
Energy: 0.5519643221045495
Energy: 0.5214407681890441
Energy: 0.5240923540033425
Energy: 0.5206071291059867
Energy: 0.5221883399311397
Energy: 0.5212012940791437
Energy: 0.558344117697617
Energy: 0.5255316893090914
Energy: 0.5199429912404925
Energy: 0.5592525278660692
Energy: 0.5248258993463574
Energy: 0.5209052782835034
Energy: 0.5563813015616295
Energy: 0.522446061121472
Energy: 0.5594045924464544
Energy: 0.5570611892272431
Energy: 0.5214038196067972
Energy: 0.5590209731145338
Energy: 0.6938128918226916
Energy: 0.5563786246607586
Energy: 0.5559070146478085
Energy: 0.554601933876902
Energy: 0.5698705254588753
Energy: 0.5561813265378053
Energy: 0.5207728157991262
Energy: 0.6387507342597439
Energy: 0.562256020982263
Energy: 0.553523559565898
Energy: 0.635722489522167
Energy: 0.5580821405144483
Energy: 0.615819195141608
Energy: 0.6231906950768732
Energy: 0.5632407284107686
Energy: 0.5736732684428425
Energy: 0.646086433054411
Energy: 0.5611268893468095
Energy: 0.5521019364992151
Energy: 0.6106373973477988
Energy: 0.6161957546460913
Energy: 0.5510745588410856
Energy: 0.6373665578935518
Energy: 0.6013737722397475
Energy: 0.7004835675004654
Energy: 0.5616548660913071
Energy: 0.6122632953873568
Energy: 0.6408695564250766
Energy: 0.5613113034568977
Energy: 0.6194376177056163
Energy: 0.7343442347385575
Energy: 0.5954313313145959
Energy: 0.5975496780879987
Energy: 0.6376160802588456
Energy: 0.5554691617771296
Energy: 0.6173368035441485
Energy: 0.5265636633242847
Energy: 0.6596335667962115
Energy: 0.6344392441220797
Energy: 0.5264018704557618
Energy: 0.6376437201314902
Energy: 0.655875540456235

minimum gb energy = 0.5104876817978624 eV
minimum distance =  2.35529717110852 Angstroms
sigma value = 57


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

Energy: 0.8811813781781517
Energy: 0.6275424650605661
Energy: 0.5645383114734474
Energy: 0.49919300166275254
Energy: 0.821829813941448
Energy: 0.5661536523344424
Energy: 0.5754613135061166
Energy: 0.5330996058143644
Energy: 0.5228043269683935
Energy: 0.6022773234589058
Energy: 0.5555602337995329
Energy: 0.5668746560717296
Energy: 0.7004719813885322
Energy: 0.5053698441902291
Energy: 0.5087898119466263
Energy: 0.5986047562973682
Energy: 0.5087079488963675
Energy: 0.5440908291767081
Energy: 0.6084696788390194
Energy: 0.5048944329041155
Energy: 0.5540551113165927
Energy: 0.5406207081229678
Energy: 0.5011372908390532
Energy: 0.5646152607823965
Energy: 0.5344255159222789
Energy: 0.5241268058235278
Energy: 0.5209345254393524
Energy: 0.5346255254636935
Energy: 0.557147216385425
Energy: 0.5208112482975815
Energy: 0.5060480299033714
Energy: 0.5284682033386693
Energy: 0.505770054199011
Energy: 0.4840867934716316
Energy: 0.5505723924779061
Energy: 0.5057079627035127
Energy: 0.49637675432723394
Energy: 0.5437473862967059
Energy: 0.5482619920664676
Energy: 0.49700969689722896
Energy: 0.5439575022954989
Energy: 0.49475085917456424
Energy: 0.5004919213082799
Energy: 0.4820388261066782
Energy: 0.4823613344004399
Energy: 0.5274467851688669
Energy: 0.48178157868079285
Energy: 0.4942887129069657
Energy: 0.4974980423466068
Energy: 0.499580015304718
Energy: 0.49624969255289486
Energy: 0.4988084550182068
Energy: 0.5007677257744734
Energy: 0.4961682973431849
Energy: 0.508514253773409
Energy: 0.5046045279687531
Energy: 0.47708239140638836
Energy: 0.5087097002214079
Energy: 0.506500932773688
Energy: 0.4769486990814707
Energy: 0.48165279631149177
Energy: 0.47777013855909645
Energy: 0.4776586422817221
Energy: 0.4724667769870056
Energy: 0.48761796914330596
Energy: 0.47635531323303065
Energy: 0.48533806195543866
Energy: 0.48250799614081397
Energy: 0.4870196377576546
Energy: 0.4734381076569839
Energy: 0.4828933499833975
Energy: 0.4706468620663752
Energy: 0.47719621928908856
Energy: 0.49591335557426325
Energy: 0.49299431539502353
Energy: 0.4818910441492038
Energy: 0.47604670667662785
Energy: 0.4916637396553284
Energy: 0.4769641018028933
Energy: 0.49264950630055954
Energy: 0.4786785734992587
Energy: 0.4780984375151988
Energy: 0.48677373309694677
Energy: 0.48663325768918747
Energy: 0.4768980203258693
Energy: 0.4758669993838609
Energy: 0.47603533941140064
Energy: 0.47647590652308686
Energy: 0.4779197400565315
Energy: 0.4764701526374844
Energy: 0.5058057596149379
Energy: 0.5071322445855833
Energy: 0.47629454770044816
Energy: 0.477031439881467
Energy: 0.5038360317416152
Energy: 0.4765949593419706
Energy: 0.47844051746021443
Energy: 0.5035946654000016
Energy: 0.49610543111048766
Energy: 0.4771751754765735
Energy: 0.503802829092821
Energy: 0.4947048265696469
Energy: 0.4792340896898743
Energy: 0.49504448258779776
Energy: 0.49316225105345574
Energy: 0.5056177925450726
Energy: 0.500272028395822
Energy: 0.4943328056261065
Energy: 0.5390770640600456
Energy: 0.5060497156754045
Energy: 0.5269431818839724
Energy: 0.5401489694779472
Energy: 0.5011641338271491
Energy: 0.549737889012719
Energy: 0.603028379525765
Energy: 0.49255556707310943
Energy: 0.4957034615856734
Energy: 0.5379446482867837
Energy: 0.49623104450986005
Energy: 0.5268862715647564
Energy: 0.661900923541295
Energy: 0.5391805671701948
Energy: 0.5418274876474138
Energy: 0.5570903620559646
Energy: 0.5476887998405878
Energy: 0.5413273255787764
Energy: 0.4765220784398007
Energy: 0.6050549707332167
Energy: 0.5376755180803884
Energy: 0.4973508590454322
Energy: 0.6012011658753454
Energy: 0.5337153268656495
Energy: 0.49998784964866244
Energy: 0.5894023147761313
Energy: 0.5905040651160475
Energy: 0.4998931579570644
Energy: 0.6003701114703296
Energy: 0.5757029949488995
Energy: 0.6598418042964752
Energy: 0.5391454451388362
Energy: 0.5231673913245478
Energy: 0.5424704621436248
Energy: 0.5379908142305458
Energy: 0.5597292548757384
Energy: 0.7047548667097024
Energy: 0.522059492458145
Energy: 0.5321031879428426
Energy: 0.6006955190957967
Energy: 0.5201137858613869
Energy: 0.5822317360192237
Energy: 0.6957768047024537
Energy: 0.5835176529660622
Energy: 0.5742963844144663
Energy: 0.5993712997948003
Energy: 0.6007086382897382
Energy: 0.5778412793596841
Energy: 0.48088643235587886
Energy: 0.5969184970032548
Energy: 0.5793850398768562
Energy: 0.4981287687520076
Energy: 0.600956553604117
Energy: 0.5595087440544038

minimum gb energy = 0.4706468620663752 eV
minimum distance =  2.39103825246336 Angstroms
sigma value = 43


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

Energy: 0.8180089870718935
Energy: 0.5157900006587415
Energy: 0.4975463363533191
Energy: 0.4520846829235691
Energy: 0.5237020649727835
Energy: 0.46432488898421853
Energy: 0.5661773729456177
Energy: 0.44295901319477776
Energy: 0.44084254690976776
Energy: 0.5174595353790705
Energy: 0.46683734451641135
Energy: 0.43568649358068706
Energy: 0.603041331969748
Energy: 0.4284898875140101
Energy: 0.42032866648002665
Energy: 0.4783342202794309
Energy: 0.42805810255957893
Energy: 0.43382259962010444
Energy: 0.5322191002510822
Energy: 0.4244069371495109
Energy: 0.4477052893150343
Energy: 0.46842740108908376
Energy: 0.4374151533808853
Energy: 0.4850768582974858
Energy: 0.48013203975613594
Energy: 0.4366662680875784
Energy: 0.43916747726408156
Energy: 0.4715906446477155
Energy: 0.4597773833254509
Energy: 0.4315740730191908
Energy: 0.43063997299207535
Energy: 0.44134256613246947
Energy: 0.42551030209841284
Energy: 0.4160129640815023
Energy: 0.48079554267572955
Energy: 0.41004320978878767
Energy: 0.5604999681076749
Energy: 0.456174838061742
Energy: 0.4807740428960683
Energy: 0.41875814040150977
Energy: 0.4842684848417251
Energy: 0.4124287820188653
Energy: 0.5514125652676151
Energy: 0.39869891777087446
Energy: 0.40555315864773717
Energy: 0.41449620852903823
Energy: 0.3994313908791797
Energy: 0.4055209702478243
Energy: 0.4452591066047447
Energy: 0.4228020472302261
Energy: 0.4310789632805692
Energy: 0.4458716286890642
Energy: 0.4066767470940576
Energy: 0.4437904073643663
Energy: 0.4291683870705147
Energy: 0.4172869040751751
Energy: 0.3966783263032856
Energy: 0.4438425117453223
Energy: 0.4134095955444667
Energy: 0.3971786282113428
Energy: 0.3981145378777054
Energy: 0.42229539325194
Energy: 0.3978039871417412
Energy: 0.40601317593670855
Energy: 0.4211586855563727
Energy: 0.3929813609906877
Energy: 0.44775863159901
Energy: 0.4204337000249304
Energy: 0.42073544569030846
Energy: 0.41125684424397974
Energy: 0.4204460221219164
Energy: 0.4033443551253192
Energy: 0.4477974350425071
Energy: 0.4055760256160149
Energy: 0.4086134084547115
Energy: 0.4090942172957924
Energy: 0.4059214354911765
Energy: 0.4101524496568058
Energy: 0.40679894511286224
Energy: 0.41503777800099
Energy: 0.4111381580488889
Energy: 0.4079301863490045
Energy: 0.4009111968975567
Energy: 0.4068331080778436
Energy: 0.4068150742367984
Energy: 0.3956108531414308
Energy: 0.3989425888606812
Energy: 0.4069012327223615
Energy: 0.40481365264788516
Energy: 0.3990635761320513
Energy: 0.40149630900623906
Energy: 0.4010828024260675
Energy: 0.4046457522027444
Energy: 0.4032043392313281
Energy: 0.4007272755520702
Energy: 0.40486325519408306
Energy: 0.40955174986405757
Energy: 0.40099205610942645
Energy: 0.40172270046971414
Energy: 0.4016848864125428
Energy: 0.40104209437628635
Energy: 0.40468597149189495
Energy: 0.40102184426991694
Energy: 0.4032043896878038
Energy: 0.40426639886723803
Energy: 0.4104446864035172
Energy: 0.4031412917203783
Energy: 0.4046845934824218
Energy: 0.400837822656936
Energy: 0.41010446331743455
Energy: 0.4044689300334557
Energy: 0.40213941754095245
Energy: 0.4427445575868275
Energy: 0.4004767694540095
Energy: 0.40036389712952863
Energy: 0.40536439872220914
Energy: 0.40542477960210893
Energy: 0.41146750358521117
Energy: 0.4056600959058857
Energy: 0.407507164140041
Energy: 0.4234434748971575
Energy: 0.407174214412099
Energy: 0.40935170075138694
Energy: 0.4045325355852035
Energy: 0.40692010411895785
Energy: 0.40941831806338225
Energy: 0.40150385662887506
Energy: 0.4075076075293111
Energy: 0.38882613727997767
Energy: 0.3917356589199823
Energy: 0.407362272823661
Energy: 0.3893614363472407
Energy: 0.42076321071831724
Energy: 0.3892038756194972
Energy: 0.39355340509481435
Energy: 0.4208239734062403
Energy: 0.3989848829785836
Energy: 0.39396462987608
Energy: 0.42068263808968903
Energy: 0.38874605381226424
Energy: 0.4248710451560538
Energy: 0.42192197465651116
Energy: 0.402132496577486
Energy: 0.4207200488608648
Energy: 0.5393579977864281
Energy: 0.4005845318844828
Energy: 0.3980954684360471
Energy: 0.39778067570485426
Energy: 0.3938476598431166
Energy: 0.39774091678402074
Energy: 0.5411822175923207
Energy: 0.44350089047265173
Energy: 0.4440510108462891
Energy: 0.41025117082128587
Energy: 0.4435806620891991
Energy: 0.3974427283119209
Energy: 0.40006711170883996
Energy: 0.4447865767117088
Energy: 0.41563913547448955
Energy: 0.4101761904345144
Energy: 0.44412725968172795
Energy: 0.40096395516865485
Energy: 0.44210086482893196
Energy: 0.4181936899712668
Energy: 0.4141506719793256
Energy: 0.4578624657361195
Energy: 0.43586443042321843
Energy: 0.4134520402900135
Energy: 0.4814620845450607
Energy: 0.43208459577681746
Energy: 0.4664186216128679
Energy: 0.48243327452986
Energy: 0.4016938278541665
Energy: 0.48100702682365104
Energy: 0.5705248090300469
Energy: 0.407109119715087
Energy: 0.41790158437529756
Energy: 0.4413547107998584
Energy: 0.4071696528799248
Energy: 0.417816572982268
Energy: 0.5749286430775513
Energy: 0.4377465671248885
Energy: 0.4657866170493458
Energy: 0.47235107564927126
Energy: 0.46696773897041316
Energy: 0.4278377908821443
Energy: 0.4427515850247768
Energy: 0.4856003151603782
Energy: 0.4431519566362925
Energy: 0.42570769036492323
Energy: 0.5115287668026779
Energy: 0.4193235198787724
Energy: 0.49375607069574123
Energy: 0.4772775729519239
Energy: 0.47268468139580877
Energy: 0.48174116620741503
Energy: 0.47727015868071665
Energy: 0.4706570340350979
Energy: 0.5722676104928937
Energy: 0.4596195880745311
Energy: 0.4620917161401528
Energy: 0.4706767756174542
Energy: 0.44942585033692195
Energy: 0.5155430901596398
Energy: 0.6048332320996612
Energy: 0.44321369371898506
Energy: 0.471661548395545
Energy: 0.5025473630453151
Energy: 0.4478417450556246
Energy: 0.471354723940225
Energy: 0.5834004857441785
Energy: 0.4815659762641589
Energy: 0.4698378323422773
Energy: 0.506599522596939
Energy: 0.5059596015957404
Energy: 0.48209147224522897

minimum gb energy = 0.38874605381226424 eV
minimum distance =  2.41645647722438 Angstroms
sigma value = 81


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

Energy: 0.028344580513447865
Energy: 0.05778979296523857
Energy: 0.029273628839997037
Energy: 0.03060793129158114
Energy: 0.08643157312593042
Energy: 0.02917996786440298
Energy: 0.5486780905391305
Energy: 0.029339468747035028
Energy: 0.029366397413705968
Energy: 0.05826353266489155
Energy: 0.030966467487206873
Energy: 0.029657484020233008
Energy: 0.0571740751483343
Energy: 0.029228322930711363
Energy: 0.029115403168353725
Energy: 0.05717515448643748
Energy: 0.02896815202838222
Energy: 0.05750348782472326
Energy: 0.031887147750510526
Energy: 0.029648443275189337
Energy: 0.02927267025831106
Energy: 0.030780784985089023
Energy: 0.029087160394805498
Energy: 0.05786785892868314
Energy: 0.057366952711562134
Energy: 0.057046552787391396
Energy: 0.05717419431736705
Energy: 0.058032656867131126
Energy: 0.057242501563337274
Energy: 0.05849223439170133
Energy: 0.0293734504650868
Energy: 0.02935213307751102
Energy: 0.02928410404059496
Energy: 0.03083129840132303
Energy: 0.02969630871404618
Energy: 0.029484030239630452
Energy: 0.05759156429016297
Energy: 0.029640910808170884
Energy: 0.029421925994787428
Energy: 0.05720963521956294
Energy: 0.02922184138678535
Energy: 0.029457640240233934
Energy: 0.05737000425123077
Energy: 0.02907231896440821
Energy: 0.029583521765685135
Energy: 0.057206632402228216
Energy: 0.02883690750374602
Energy: 0.058910861936088084
Energy: 0.030217024439223618
Energy: 0.02917696768380999
Energy: 0.05936648990153558
Energy: 0.031796016858749325
Energy: 0.02944399699067172
Energy: 0.05894951371345343
Energy: 0.02957403033048221
Energy: 0.05704499633244293
Energy: 0.05702792135958386
Energy: 0.029419663123455293
Energy: 0.057050631300950616
Energy: 0.05704667546387144

minimum gb energy = 0.028344580513447865 eV
minimum distance =  2.534390010714 Angstroms
sigma value = 3


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

Energy: 0.4746716368681882
Energy: 0.4895025479609066
Energy: 0.468390655866255
Energy: 0.43206949873454753
Energy: 0.46319937984767423
Energy: 0.4319079043742747
Energy: 0.46159495700690223
Energy: 0.47685802402330285
Energy: 0.4745663035610953
Energy: 0.47076670485824157
Energy: 0.47269477640457086
Energy: 0.47538818949806133
Energy: 0.4756137347631194
Energy: 0.44247510465979534
Energy: 0.44269963185586625
Energy: 0.46822123738855437
Energy: 0.43858130837617565
Energy: 0.462826392828864
Energy: 0.449541194669744
Energy: 0.4423845245270758
Energy: 0.44255745918177947
Energy: 0.4495603916186798
Energy: 0.40807178495396035
Energy: 0.465809704952423
Energy: 0.4048029007771111
Energy: 0.4755849187492791
Energy: 0.4747520186140266
Energy: 0.4053435046977709
Energy: 0.47345317178378776
Energy: 0.4743683728523888
Energy: 0.45247605245930217
Energy: 0.4811210733862973
Energy: 0.4523229294270258
Energy: 0.374230528388882
Energy: 0.48012914954445113
Energy: 0.4254993931214938
Energy: 0.45260419681357267
Energy: 0.41225328332169653
Energy: 0.46031022680368305
Energy: 0.45221823354733864
Energy: 0.4169704084210703
Energy: 0.45929976441215375
Energy: 0.4475052016873799
Energy: 0.43644369406285166
Energy: 0.43490802393719896
Energy: 0.4475708527633661
Energy: 0.3542604134177292
Energy: 0.4354056593083711
Energy: 0.4747840296518185
Energy: 0.43572820359331554
Energy: 0.4617730174942401
Energy: 0.46105700904578695
Energy: 0.37699887016131745
Energy: 0.46394584874834527
Energy: 0.38527057525664177
Energy: 0.4139828985853528
Energy: 0.41483185848402165
Energy: 0.42916968197234195
Energy: 0.41748527825244824
Energy: 0.4278099132325815
Energy: 0.45254196735160807
Energy: 0.4414495359301963
Energy: 0.44235279515534137
Energy: 0.3621640565704463
Energy: 0.45674473725119685
Energy: 0.4166912680649748
Energy: 0.3832270975547766
Energy: 0.44449155581618716
Energy: 0.444652832154163
Energy: 0.3831660650935677
Energy: 0.4335491631549089
Energy: 0.38302131972851383
Energy: 0.38641750892576154
Energy: 0.38537627127620405
Energy: 0.4230668370738632
Energy: 0.3864840822596082
Energy: 0.34983267681377916
Energy: 0.4055760376119967
Energy: 0.443833389994732
Energy: 0.41686712426501493
Energy: 0.423410552702247
Energy: 0.38753360493471584
Energy: 0.365023580173429
Energy: 0.42297620720567425
Energy: 0.4440045417542955
Energy: 0.3634266816599717
Energy: 0.36323991918993703
Energy: 0.44412461560184513
Energy: 0.36755795321679585
Energy: 0.36455792254024694
Energy: 0.44271282185809435
Energy: 0.41278473403572313
Energy: 0.4116000922503843
Energy: 0.35547117367880077
Energy: 0.4375833895161286
Energy: 0.41167024325480606
Energy: 0.3576096959443211
Energy: 0.41181590271970614
Energy: 0.41013205213149717
Energy: 0.35320747521447926
Energy: 0.36621330593929174
Energy: 0.3522241689424486
Energy: 0.35405500055495154
Energy: 0.38763409834470347
Energy: 0.40667350463211005
Energy: 0.3543526444481933
Energy: 0.3556324604948254
Energy: 0.4073248765932112
Energy: 0.44775145208971756
Energy: 0.3926218775457509
Energy: 0.40633142512734016
Energy: 0.3560281347187827
Energy: 0.354540393588036
Energy: 0.4062481667643161
Energy: 0.43872148407730616
Energy: 0.3527864597102698
Energy: 0.3525034650583112
Energy: 0.4384166566984879
Energy: 0.35768421691627605
Energy: 0.35363205394741626
Energy: 0.4377862117246789
Energy: 0.41229480174104466
Energy: 0.41145847422620574
Energy: 0.3654912076473552
Energy: 0.41092377638980954
Energy: 0.41042489503608226
Energy: 0.36829869903882534
Energy: 0.4125021125510917
Energy: 0.4105088266067104
Energy: 0.3666464209527413
Energy: 0.40999441209886606
Energy: 0.36360094433690426
Energy: 0.3639461403359258
Energy: 0.3873555755444967
Energy: 0.4240348541655741
Energy: 0.36390193947204846
Energy: 0.3895540311073016
Energy: 0.38668569549292336
Energy: 0.4453536170905775
Energy: 0.3853910754624402
Energy: 0.42279514161173004
Energy: 0.3556864304484415
Energy: 0.385014764825718
Energy: 0.4119716024912761
Energy: 0.4592959809163227
Energy: 0.3831112841674121
Energy: 0.3832912180437865
Energy: 0.457003234622179
Energy: 0.38997100825022557
Energy: 0.3844251322044313
Energy: 0.4600109688491792
Energy: 0.4276303226719601
Energy: 0.4279636444068327
Energy: 0.45736891052294953
Energy: 0.40795479117037065
Energy: 0.4427577088479004
Energy: 0.41615537437718403
Energy: 0.4271599358940352
Energy: 0.42959642546608817
Energy: 0.4166282903997139
Energy: 0.46265157023998865
Energy: 0.4284420737234527
Energy: 0.39190320660392464
Energy: 0.40747223413702094
Energy: 0.4094962261151792
Energy: 0.39197498930583535
Energy: 0.40948267324806675
Energy: 0.4617735001122743
Energy: 0.458254151460927
Energy: 0.45530860529348816
Energy: 0.452062488965186
Energy: 0.3667641913108336
Energy: 0.4479323359352157
Energy: 0.4211991541071236
Energy: 0.4201848301009021
Energy: 0.4598410058395934
Energy: 0.45677409172871897
Energy: 0.41951867339095583
Energy: 0.45064866627691924
Energy: 0.46922665745219894
Energy: 0.4639616624662631
Energy: 0.4428817369740424
Energy: 0.44075241021661127
Energy: 0.463933188142738
Energy: 0.35824445575334823
Energy: 0.4407548301217441
Energy: 0.5140221464063649
Energy: 0.4420509719006806
Energy: 0.47170468607738414
Energy: 0.47816668943178914
Energy: 0.3861524360689977
Energy: 0.5022270016874048
Energy: 0.41280622475197726
Energy: 0.4465896973301309
Energy: 0.455262163567361
Energy: 0.41307511460516966
Energy: 0.45134250685050303
Energy: 0.44409467128692254

minimum gb energy = 0.34983267681377916 eV
minimum distance =  2.35962214166765 Angstroms
sigma value = 67


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

Energy: 0.5585818027020296
Energy: 0.5607711765960455
Energy: 0.5453428001219711
Energy: 0.4597828571329515
Energy: 0.624975232074721
Energy: 0.5457025635079417
Energy: 0.5299473017546675
Energy: 0.5702029468839281
Energy: 0.5676377496523294
Energy: 0.555789766181811
Energy: 0.5766484916024583
Energy: 0.5541705163776166
Energy: 0.5661293002212094
Energy: 0.5008469484471926
Energy: 0.5405581941031722
Energy: 0.5535590547708541
Energy: 0.5006990136558893
Energy: 0.5453062626147678
Energy: 0.5226279070585708
Energy: 0.5414283916658701
Energy: 0.5401450494259384
Energy: 0.5234439505014761
Energy: 0.5261148947642126
Energy: 0.5480127519635011
Energy: 0.5196478806486217
Energy: 0.5636041878492504
Energy: 0.5628536616218591
Energy: 0.5201153220067817
Energy: 0.56340750545582
Energy: 0.575294034426725
Energy: 0.5398312025131494
Energy: 0.5489539303016137
Energy: 0.5365395261419709
Energy: 0.4779659092304916
Energy: 0.5555536284150792
Energy: 0.5268487564318303
Energy: 0.5317902906926414
Energy: 0.533828775670495
Energy: 0.530662427107464
Energy: 0.5333995747560487
Energy: 0.5351932553597816
Energy: 0.5282197774884297
Energy: 0.5231243580035739
Energy: 0.4607353142141207
Energy: 0.5120576735308016
Energy: 0.5233431151553866
Energy: 0.45631707145179784
Energy: 0.5410279537612815
Energy: 0.5508268106083382
Energy: 0.5415393767930872
Energy: 0.5424499141358863
Energy: 0.5359157461713699
Energy: 0.4859148257669078
Energy: 0.5406258535603753
Energy: 0.5132527429775827
Energy: 0.4867002844719711
Energy: 0.4878202883103385
Energy: 0.5110476423342629
Energy: 0.4859500046866078
Energy: 0.4996116767948827
Energy: 0.5123389417548262
Energy: 0.5171236683001235
Energy: 0.5163352780420924
Energy: 0.4603267429869137
Energy: 0.5399054164235234
Energy: 0.5167253290579247
Energy: 0.46530014607792286
Energy: 0.48976757992708475
Energy: 0.5130231741705871
Energy: 0.46562721670452206
Energy: 0.4873612884395736
Energy: 0.46106239755468154
Energy: 0.4643504482362286
Energy: 0.4659472217061198
Energy: 0.46038407077565346
Energy: 0.4648720566423316
Energy: 0.4620136352566493
Energy: 0.46031430596072537
Energy: 0.5411504761159491
Energy: 0.5076045247145943
Energy: 0.505268192090131
Energy: 0.4602274831721264
Energy: 0.503419560913153
Energy: 0.5045862979628386
Energy: 0.5398823879121295
Energy: 0.4623518850709102
Energy: 0.4648763487315011
Energy: 0.53943876860994
Energy: 0.4613501168887533
Energy: 0.4604840123280776
Energy: 0.5411371773036469
Energy: 0.5176900629253467
Energy: 0.5146357324063666
Energy: 0.484354503528798
Energy: 0.5103243577222865
Energy: 0.5129463806595732
Energy: 0.4844747113588232
Energy: 0.4568390096612934
Energy: 0.5033350909917848
Energy: 0.48516812396402664
Energy: 0.4529434940368682
Energy: 0.498588365619342
Energy: 0.491058529781592
Energy: 0.5422455865848109
Energy: 0.5410200197363273
Energy: 0.48323780950363515
Energy: 0.5365957117143726
Energy: 0.48433869243499594
Energy: 0.5368278824080628
Energy: 0.5359746560456818
Energy: 0.5278337699446018
Energy: 0.4648799540563593
Energy: 0.5536182249193152
Energy: 0.5289307357050756
Energy: 0.48813865468830653
Energy: 0.5313336656400843
Energy: 0.531179547802221
Energy: 0.5325613813786162
Energy: 0.5290232604898121
Energy: 0.5434859760696162
Energy: 0.5331573583231273
Energy: 0.5054225901277649
Energy: 0.5548637689528184
Energy: 0.5329974222939955
Energy: 0.5250954681578586
Energy: 0.5529506459383497
Energy: 0.5650860812630331
Energy: 0.5230746599083786
Energy: 0.5487792175100785
Energy: 0.5537845597363712
Energy: 0.4638577008472968
Energy: 0.5528693763093211
Energy: 0.5298277529472982
Energy: 0.5296907301406992
Energy: 0.5309026516268293
Energy: 0.5307239898824709
Energy: 0.523425079608665
Energy: 0.5277788934884653

minimum gb energy = 0.4529434940368682 eV
minimum distance =  2.35175496220768 Angstroms
sigma value = 33


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

Energy: 0.644110301019272
Energy: 0.6504836149476957
Energy: 0.6527128343221198
Energy: 0.5584066780394896
Energy: 0.6596795714370075
Energy: 0.6082152204699908
Energy: 0.6358252213536996
Energy: 0.6368278181572707
Energy: 0.6364804081990941
Energy: 0.638193690300291
Energy: 0.6314173441795566
Energy: 0.6392616582081939
Energy: 0.6498090624622707
Energy: 0.5785918483198825
Energy: 0.5984375309198882
Energy: 0.6314506581495489
Energy: 0.5749115947416065
Energy: 0.598674089153311
Energy: 0.5841455894853544
Energy: 0.580309848829934
Energy: 0.5967184527900633
Energy: 0.5841714763146594
Energy: 0.5914074992297484
Energy: 0.6143260850015044
Energy: 0.5836523485349593
Energy: 0.6330823108290216
Energy: 0.6368960153387383
Energy: 0.5846950873520362
Energy: 0.6331684404367354
Energy: 0.6377899267101744
Energy: 0.5748461413193358
Energy: 0.6305605468880575
Energy: 0.6108898270102445
Energy: 0.5379876531414103
Energy: 0.6340055270849082
Energy: 0.5347639360422052
Energy: 0.5830808212411591
Energy: 0.6375115995438316
Energy: 0.6407108023690372
Energy: 0.5835998151370249
Energy: 0.6359383057762287
Energy: 0.5839791496160124
Energy: 0.584809821534017
Energy: 0.5424489359109769
Energy: 0.5431621260046156
Energy: 0.5847083382604125
Energy: 0.5466089627401021
Energy: 0.5677946010445674
Energy: 0.6122693101202692
Energy: 0.5436017395345615
Energy: 0.5797700496393872
Energy: 0.5871650228418356
Energy: 0.543782285288891
Energy: 0.5910243659344142
Energy: 0.6149322957093151
Energy: 0.5454439929259632
Energy: 0.5422373810875508
Energy: 0.6122982759494582
Energy: 0.5430870170242098
Energy: 0.5448077830307615
Energy: 0.577148642011153
Energy: 0.5442159905224293
Energy: 0.5512751473247446
Energy: 0.5462283253013587
Energy: 0.5789216796752406
Energy: 0.5442220800123152
Energy: 0.5432194134790153
Energy: 0.5426339120303584
Energy: 0.5436807679312263
Energy: 0.5433142597953671
Energy: 0.554750123746942
Energy: 0.5426956281388452
Energy: 0.5440756441330569
Energy: 0.5887812178048772
Energy: 0.5659358041007668
Energy: 0.5442841996706679
Energy: 0.5873897416682221
Energy: 0.5425378809078509
Energy: 0.526316098897911
Energy: 0.592498832336887
Energy: 0.5442246038713192
Energy: 0.529778355709669
Energy: 0.618424811803273
Energy: 0.5275591716199379
Energy: 0.5736383008975383
Energy: 0.5833180026943765
Energy: 0.5882497536006569
Energy: 0.5772820924284287
Energy: 0.5836517336156025
Energy: 0.5686750063597321
Energy: 0.5855273074818613
Energy: 0.58819254855295
Energy: 0.6073338996477767
Energy: 0.5857327354246623
Energy: 0.5501595747278675
Energy: 0.5847157082471294
Energy: 0.6473083970833783
Energy: 0.5480369741011298
Energy: 0.5692965503061846
Energy: 0.6306772273621997
Energy: 0.5534041110704336
Energy: 0.5509286053084584
Energy: 0.6520678497234039
Energy: 0.6378756364547922
Energy: 0.5848900528097232
Energy: 0.6348639874274001
Energy: 0.6376566635728568
Energy: 0.6199516492058796
Energy: 0.616980320798711
Energy: 0.6314623688712615
Energy: 0.6442557847507439
Energy: 0.545787935474575
Energy: 0.6326768018794205
Energy: 0.5405550652212209
Energy: 0.604820057458116
Energy: 0.6368339218976311
Energy: 0.636950802743919
Energy: 0.6085620427678393
Energy: 0.6331001303987447
Energy: 0.6387090385023922
Energy: 0.6492397870540996
Energy: 0.5928215618342011
Energy: 0.6024575396377647
Energy: 0.6329146441338175
Energy: 0.5882609123958277
Energy: 0.6172190672959774
Energy: 0.6320653344762199
Energy: 0.5789988112763965
Energy: 0.5788765720583071
Energy: 0.6311911935281108
Energy: 0.5749685392038926
Energy: 0.6130784820826087
Energy: 0.5839996851739154
Energy: 0.6324837987322965
Energy: 0.6367066917846271
Energy: 0.5844960052351688
Energy: 0.632676919531873
Energy: 0.6401611540482515
Energy: 0.580308789397939
Energy: 0.5548613696465139
Energy: 0.612021377407594
Energy: 0.532356063954422
Energy: 0.6325906208644576
Energy: 0.5337630805798367
Energy: 0.5828533550284252
Energy: 0.6412185894107395
Energy: 0.5874171013763066
Energy: 0.5841141209819442
Energy: 0.6349610032184917
Energy: 0.5828269179131614
Energy: 0.5855892668314218
Energy: 0.5427532041817488
Energy: 0.5422417124914708
Energy: 0.5839209313197102
Energy: 0.545909203727737
Energy: 0.5683023443744329
Energy: 0.6124019098667298
Energy: 0.543488129164766
Energy: 0.5430108231168764
Energy: 0.5892209699566401
Energy: 0.5786710936313167
Energy: 0.5904164541588176
Energy: 0.6126328715962773
Energy: 0.5456577405161184
Energy: 0.5426646603819881
Energy: 0.5891420045591466
Energy: 0.5437585409965962
Energy: 0.5439006230621238
Energy: 0.5760982951361495
Energy: 0.5685287574292501
Energy: 0.5430796594125484
Energy: 0.5467578712941962
Energy: 0.5782353873800654
Energy: 0.5445409130782101
Energy: 0.5428918289981127
Energy: 0.5419524223716585
Energy: 0.5434708715854217
Energy: 0.5429164175238393
Energy: 0.5489726825628888
Energy: 0.5417262233185883
Energy: 0.5451368752508888
Energy: 0.5883501831405754
Energy: 0.569252257304154
Energy: 0.5449567726779405
Energy: 0.5886117212305695
Energy: 0.5421948589541732
Energy: 0.5246111583034478
Energy: 0.5854969195488624
Energy: 0.5441863314887677
Energy: 0.5292833396747273
Energy: 0.6144594128657365
Energy: 0.5284748912894838
Energy: 0.5256772520105953
Energy: 0.5835562605581864
Energy: 0.5886148559339204
Energy: 0.5735369680803452
Energy: 0.5841436951552265
Energy: 0.5735972663703126
Energy: 0.5851869666296219
Energy: 0.6115572346723515
Energy: 0.5868143091847359
Energy: 0.58470243687772
Energy: 0.5507019311531846
Energy: 0.5856073033622372
Energy: 0.6478791527894585
Energy: 0.548401418743282
Energy: 0.570496750615794
Energy: 0.6300605188236161
Energy: 0.5242017062548157
Energy: 0.5510343419484149
Energy: 0.6537285380740748
Energy: 0.637951106562297
Energy: 0.6204168636499983
Energy: 0.6339426326392131
Energy: 0.6389680099472607
Energy: 0.63641917726061
Energy: 0.537927717292036
Energy: 0.6320164584817386
Energy: 0.6473555922210771
Energy: 0.5439925797583551
Energy: 0.6329191714514045
Energy: 0.5411336812763495

minimum gb energy = 0.5242017062548157 eV
minimum distance =  2.36105584810062 Angstroms
sigma value = 41


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

Energy: 0.8599748442381446
Energy: 0.6611807797311365
Energy: 0.6670384601482278
Energy: 0.6589702454499736
Energy: 0.7070839609041475
Energy: 0.6658998350283513
Energy: 0.7441289168634575
Energy: 0.6969096837180556
Energy: 0.6608119181632669
Energy: 0.7020979905215727
Energy: 0.7075911948978845
Energy: 0.6608375455724118
Energy: 0.7436501887401182
Energy: 0.6536621389325602
Energy: 0.6520191527831393
Energy: 0.669239768463524
Energy: 0.6501328166905201
Energy: 0.6517594904523052
Energy: 0.7099474133913045
Energy: 0.6536648843006188
Energy: 0.6517754505625263
Energy: 0.7107140648694845
Energy: 0.6504208822703779
Energy: 0.6589385514462247
Energy: 0.6684452257833974
Energy: 0.6570092727491483
Energy: 0.66013570625402
Energy: 0.6588875834082493
Energy: 0.6986923200551705
Energy: 0.6596411667998942
Energy: 0.6794539830027567
Energy: 0.6604018573817607
Energy: 0.6589966388971581
Energy: 0.6491453516303202
Energy: 0.6572207829233181
Energy: 0.6587874734808007
Energy: 0.6668021929139699
Energy: 0.7152628272453895
Energy: 0.6594142577645122
Energy: 0.6582581576992445
Energy: 0.6989648300559298
Energy: 0.6573469885472893
Energy: 0.6717165841985633
Energy: 0.6576677000020361
Energy: 0.6599818564545245
Energy: 0.6722741411944889
Energy: 0.6557865197885779
Energy: 0.66172313567153
Energy: 0.703173892438663
Energy: 0.6611023043469876
Energy: 0.6603383440985129
Energy: 0.6550498354062466
Energy: 0.6696594565626687
Energy: 0.6599924950672516
Energy: 0.6915582272660875
Energy: 0.6561998331350962
Energy: 0.6583152439552666
Energy: 0.6558938184333238
Energy: 0.6670056405447604
Energy: 0.657550703864934
Energy: 0.7164459785563799
Energy: 0.6714550471734141
Energy: 0.671588114810556
Energy: 0.7026917278379031
Energy: 0.6416654408041002
Energy: 0.6993122102842151
Energy: 0.7434325047536288
Energy: 0.6557861882911163
Energy: 0.6540491803250698
Energy: 0.6691281261490003
Energy: 0.6483441658266598
Energy: 0.6544298401901848
Energy: 0.7499646438064074
Energy: 0.6994639817633056
Energy: 0.6702756641784559
Energy: 0.709623436347672
Energy: 0.7005309568746333
Energy: 0.6608252631455643
Energy: 0.6767467020042188
Energy: 0.6748653932951557
Energy: 0.6548392110012291
Energy: 0.6426478684636551
Energy: 0.669762200379474
Energy: 0.6565645619508523

minimum gb energy = 0.6416654408041002 eV
minimum distance =  2.38547646501455 Angstroms
sigma value = 11


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

Energy: 0.7804891002121536
Energy: 0.8532463333111667
Energy: 0.8210285453430486
Energy: 0.8083225515436933
Energy: 0.7918991564188276
Energy: 0.8014584856497535
Energy: 0.8258254804785997
Energy: 0.7667464670532607
Energy: 0.7515894935925715
Energy: 0.7397459664696264
Energy: 0.7690630029537037
Energy: 0.7448932807211808
Energy: 0.8644477400101102
Energy: 0.7356877624566233
Energy: 0.7355192995690089
Energy: 0.7461776367119614
Energy: 0.7358213057969831
Energy: 0.7394211749240803
Energy: 0.7753306390295837
Energy: 0.7364443058004514
Energy: 0.7398602265229042
Energy: 0.7503101980537807
Energy: 0.7352551245149321
Energy: 0.7391728290953492
Energy: 0.7817689772463318
Energy: 0.7496779845877115
Energy: 0.7451344126215219
Energy: 0.7451616858299512
Energy: 0.7638359650496914
Energy: 0.7440549689267836
Energy: 0.7778107374346335
Energy: 0.7415442628007561
Energy: 0.7416098892715972
Energy: 0.7444017010745443
Energy: 0.7873752604387522
Energy: 0.742198117314282
Energy: 0.7793228284238735
Energy: 0.7413448045462138
Energy: 0.7412062705659802
Energy: 0.7833320310617367
Energy: 0.739586390333546
Energy: 0.7414222547596454
Energy: 0.7752710110873041
Energy: 0.7440119772738392
Energy: 0.7437928801006194
Energy: 0.7633413176271143
Energy: 0.7419608872025604
Energy: 0.7453133667944344
Energy: 0.791652569986814
Energy: 0.7401174347540092
Energy: 0.7398554369999684
Energy: 0.7303847785259455
Energy: 0.7497883469414763
Energy: 0.7416167783692472
Energy: 0.7979080222188087
Energy: 0.740180490755557
Energy: 0.7400113584278349
Energy: 0.7311158181588988
Energy: 0.7413812144183782
Energy: 0.7416423655655344
Energy: 0.7836544651643952
Energy: 0.7488298097024961
Energy: 0.7567737320601596
Energy: 0.7680297163040948
Energy: 0.7434342869050293
Energy: 0.7505074379671988
Energy: 0.7709489049146686
Energy: 0.7364175826286565
Energy: 0.7365364580170919
Energy: 0.770665918423657
Energy: 0.7376094581111615
Energy: 0.7368726785720087
Energy: 0.7709980189433944
Energy: 0.739095755800569
Energy: 0.7392496773049375
Energy: 0.7706627930678028
Energy: 0.7398837194951509
Energy: 0.739014591894992
Energy: 0.7656637839640192
Energy: 0.7411869385316232
Energy: 0.7393322045240919
Energy: 0.7354325890989508
Energy: 0.7461215831086073
Energy: 0.7388374943916023
Energy: 0.7635468187830662
Energy: 0.7408358687520843
Energy: 0.7395374430456758
Energy: 0.7543968902696192
Energy: 0.739568931538345
Energy: 0.7388056933139204
Energy: 0.7630378000466724
Energy: 0.7424108847435014
Energy: 0.7388185466691389
Energy: 0.7630331427506538
Energy: 0.73886904070418
Energy: 0.7394758473182979
Energy: 0.7626646892445281
Energy: 0.7409333984365241
Energy: 0.740107818078049
Energy: 0.7606597177247574
Energy: 0.7399755820823907
Energy: 0.7391985177655565
Energy: 0.7817672753999982
Energy: 0.7903599453670451
Energy: 0.7911433263947798
Energy: 0.7507981960964712
Energy: 0.8006960655749392
Energy: 0.7588244972340941
Energy: 0.7695205810506963
Energy: 0.7401363634366549
Energy: 0.7406028947159055
Energy: 0.7699860059976682
Energy: 0.7536800991533453
Energy: 0.7386975845377622
Energy: 0.7617221718812577
Energy: 0.7378057188677816
Energy: 0.7376027951811095
Energy: 0.7546561569750034
Energy: 0.7380458109626494
Energy: 0.7341308039951792
Energy: 0.8076142295996754
Energy: 0.7385970843016242
Energy: 0.7336110690277966
Energy: 0.7532457024890742
Energy: 0.7377858767870649
Energy: 0.7396794882628155
Energy: 0.8034402917409644
Energy: 0.7558526758587735
Energy: 0.7432150717840242
Energy: 0.7481294907910182
Energy: 0.7605985577998078
Energy: 0.7382694296296917
Energy: 0.7800907440282905
Energy: 0.7568177804770799
Energy: 0.7406790312797781
Energy: 0.7329131846457944
Energy: 0.7529931655511153
Energy: 0.7403461790965314
Energy: 0.8065051594368762
Energy: 0.7460903431940675
Energy: 0.7394252508941598
Energy: 0.7535516061852084
Energy: 0.7692838974418437
Energy: 0.7388413737247825
Energy: 0.7869355104398935
Energy: 0.7389290122405217
Energy: 0.7391261355948726
Energy: 0.7906713134811763
Energy: 0.7402138216053017
Energy: 0.7408233270615316
Energy: 0.7903122930185438
Energy: 0.7409750655789317
Energy: 0.740141176802704
Energy: 0.7404432025998585
Energy: 0.7385421338198314
Energy: 0.7396115217440297
Energy: 0.7879868892544816
Energy: 0.7638658567633198
Energy: 0.7406791283484362
Energy: 0.7391532774060542
Energy: 0.7632159532587859
Energy: 0.7385019936161766
Energy: 0.7877448287986263
Energy: 0.7413033063737282
Energy: 0.7397364284562274
Energy: 0.739248029665793
Energy: 0.7414716162388475
Energy: 0.7392067553509788
Energy: 0.8609198728126072
Energy: 0.7331787807833319
Energy: 0.7329053665414647
Energy: 0.7953139850609283
Energy: 0.7374547299221952
Energy: 0.7335862223646468
Energy: 0.8580625245608596
Energy: 0.7587213896331544
Energy: 0.7395757969700584
Energy: 0.7399059622645243
Energy: 0.7726524885407038
Energy: 0.7390820755704625
Energy: 0.7929595500886618
Energy: 0.7682888120690753
Energy: 0.7386922764878578
Energy: 0.7353179799887207
Energy: 0.7689784344249303
Energy: 0.7384693001416371

minimum gb energy = 0.7303847785259455 eV
minimum distance =  2.38178560165215 Angstroms
sigma value = 57


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

Energy: 1.0276468057117263
Energy: 0.7923550872532482
Energy: 0.7964443396729527
Energy: 0.753312391551598
Energy: 0.7722770086806143
Energy: 0.7972976089120495
Energy: 0.836328601106295
Energy: 0.7801701940578101
Energy: 0.7759499606133681
Energy: 0.771495259252554
Energy: 0.7743281387661366
Energy: 0.7753426990739233
Energy: 0.8412739618736523
Energy: 0.765374818151416
Energy: 0.7692379630564707
Energy: 0.7758663384568459
Energy: 0.7655439161047524
Energy: 0.782623874757107
Energy: 0.7702915476055844
Energy: 0.774194947555467
Energy: 0.7731836234009954
Energy: 0.7715713545222888
Energy: 0.7651075247927922
Energy: 0.7745506237205896
Energy: 0.8109040732180006
Energy: 0.7785134520222139
Energy: 0.7747160574416655
Energy: 0.773036993284799
Energy: 0.7743216179859395
Energy: 0.7736752879731439
Energy: 0.7696600751816143
Energy: 0.7931030977579339
Energy: 0.7738156075433006
Energy: 0.7706234858575549
Energy: 0.7884232114334402
Energy: 0.774357184683429
Energy: 0.788825779643961
Energy: 0.7564538941302509
Energy: 0.7677295705527768
Energy: 0.7891757981383736
Energy: 0.7532870501184633
Energy: 0.7914896315798998
Energy: 0.8372138631830526
Energy: 0.7740526419000476
Energy: 0.7740312716382131
Energy: 0.7731039233384395
Energy: 0.7708052115532411
Energy: 0.7750728967690662
Energy: 0.8486203936951481
Energy: 0.7794762368457548
Energy: 0.7676063338590929
Energy: 0.7683454435756351
Energy: 0.774911271778224
Energy: 0.7672709289971542
Energy: 0.8479251485835098
Energy: 0.780041359211538
Energy: 0.7674805270469308
Energy: 0.7684400199527542
Energy: 0.776782864089071
Energy: 0.7671822469163969
Energy: 0.8387633919570147
Energy: 0.7763492033515172
Energy: 0.7769793714817221
Energy: 0.7725619955172308
Energy: 0.7703099551270634
Energy: 0.7832254677038752
Energy: 0.7734689218948663
Energy: 0.7645276280137248
Energy: 0.7652991029437767
Energy: 0.7738775673728628
Energy: 0.7641183086705906
Energy: 0.7824098148800294
Energy: 0.7718056742738045
Energy: 0.7820857912161926
Energy: 0.773907261851904
Energy: 0.7728594488678696
Energy: 0.7713076485119948
Energy: 0.7735868348880104
Energy: 0.7697751231763529
Energy: 0.7744249415128759
Energy: 0.773824988996033
Energy: 0.7705222397721821
Energy: 0.779540750508914
Energy: 0.7736695339755625
Energy: 0.7880718912781904
Energy: 0.7619120220881078
Energy: 0.7741973819860996
Energy: 0.7728077103098746
Energy: 0.755048825054205
Energy: 0.7743327790097888
Energy: 0.8377921892815858
Energy: 0.7634038519987533
Energy: 0.7672069194825394
Energy: 0.7760238145731514
Energy: 0.7554835078767238
Energy: 0.7734502338892157
Energy: 0.8133321336886353
Energy: 0.77716337662844
Energy: 0.7752952943937135
Energy: 0.7851180995163904
Energy: 0.7721107570500547
Energy: 0.7743943556232613

minimum gb energy = 0.7532870501184633 eV
minimum distance =  2.38755170667146 Angstroms
sigma value = 9


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

Energy: 0.8865953775169626
Energy: 0.8069707241056696
Energy: 0.7918362909063225
Energy: 0.8424654505044082
Energy: 0.8701569269060324
Energy: 0.8437328152333783
Energy: 0.8823678406339707
Energy: 0.8148641054323787
Energy: 0.8139026255772623
Energy: 0.8007610143765134
Energy: 0.8230688048181505
Energy: 0.8126460579981994
Energy: 0.8444161320241587
Energy: 0.8058828068943409
Energy: 0.8066124893196136
Energy: 0.8146347646744239
Energy: 0.8011004995448907
Energy: 0.8047146936500978
Energy: 0.8084759669087916
Energy: 0.8047371509572185
Energy: 0.796233291882837
Energy: 0.8097033389609806
Energy: 0.8064281073917159
Energy: 0.7962460898342112
Energy: 0.7943757161092583
Energy: 0.8144546833894276
Energy: 0.8205617231516441
Energy: 0.7951191861292566
Energy: 0.8243273332414481
Energy: 0.8209205178678483
Energy: 0.7921415618983244
Energy: 0.79601422801948
Energy: 0.7937656036494241
Energy: 0.7929222173219088
Energy: 0.7957289575222344
Energy: 0.7933076054210029
Energy: 0.8041906461747964
Energy: 0.79292857940293
Energy: 0.7911378559737704
Energy: 0.8039614945057098
Energy: 0.7937466740757398
Energy: 0.8179500848329402
Energy: 0.8568107941230312
Energy: 0.7969151927111681
Energy: 0.7976511921642545
Energy: 0.800354360628038
Energy: 0.800299205230208
Energy: 0.7982248861838154
Energy: 0.8427967721458497
Energy: 0.8118792071040168
Energy: 0.8062191876210744
Energy: 0.8010424124312996
Energy: 0.8039245540224083
Energy: 0.7987116380556111
Energy: 0.8441250073739267
Energy: 0.8112263610175692
Energy: 0.8057161546949202
Energy: 0.8004637857288078
Energy: 0.8045784891265358
Energy: 0.8022397085218854
Energy: 0.8524956825876082
Energy: 0.8028521349780935
Energy: 0.801036572240919
Energy: 0.8107992098485975
Energy: 0.8090430112495988
Energy: 0.8001641703424214
Energy: 0.8467714986441737
Energy: 0.8097599471777055
Energy: 0.8168447676901358
Energy: 0.8307475560903931
Energy: 0.7946069999819436
Energy: 0.8174923914586221
Energy: 0.8418887005366842
Energy: 0.8078118857332615
Energy: 0.8040207436907777
Energy: 0.7945147337926081
Energy: 0.8089853279207441
Energy: 0.7920563314688843
Energy: 0.8454096104410561
Energy: 0.7990503771364134
Energy: 0.7979385761786669
Energy: 0.7984532079250511
Energy: 0.7960650967003304
Energy: 0.7958047830508139
Energy: 0.8378408156831413
Energy: 0.7918937577762105
Energy: 0.7969487687448015
Energy: 0.8231432463992613
Energy: 0.7923657754277361
Energy: 0.8192971965384476
Energy: 0.8228890023617513
Energy: 0.7897050756772308
Energy: 0.8048434635532302
Energy: 0.8241606780461713
Energy: 0.8006153337912089
Energy: 0.8021455802462647
Energy: 0.8240856571982624
Energy: 0.8076367132884709
Energy: 0.8003113757143572
Energy: 0.8257260738284771
Energy: 0.8074038750291971
Energy: 0.8014730871401083
Energy: 0.8220910402791797
Energy: 0.810970681764305
Energy: 0.8153503497375146
Energy: 0.8001536310097912
Energy: 0.827446600861829
Energy: 0.8188267529902375
Energy: 0.826309793936934
Energy: 0.8083284011537215
Energy: 0.8023129779125189
Energy: 0.8266733530416428
Energy: 0.8074938218813087
Energy: 0.805209503803575
Energy: 0.8407484556713433
Energy: 0.8089916020504003
Energy: 0.8008255942898841
Energy: 0.8097732444564137
Energy: 0.804595573874479
Energy: 0.8047300388900867
Energy: 0.8556038615903792
Energy: 0.8158952664952518
Energy: 0.8179116770888969
Energy: 0.8008347034471976
Energy: 0.8242627799303198
Energy: 0.8197597687250995

minimum gb energy = 0.7897050756772308 eV
minimum distance =  2.33335533818289 Angstroms
sigma value = 27


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

Energy: 1.1680098812632602
Energy: 0.854266038092577
Energy: 0.801212660330971
Energy: 0.8015507558838799
Energy: 1.091993937348562
Energy: 0.8117323665101955
Energy: 0.85718159624313
Energy: 0.7781063541618891
Energy: 0.7857853920621021
Energy: 0.7990764850080578
Energy: 0.8398688868667284
Energy: 0.7990546439468941
Energy: 0.8695409458613421
Energy: 0.7785447138053716
Energy: 0.8047523195975814
Energy: 0.7857518350723715
Energy: 0.7940438768544777
Energy: 0.7741507793545179
Energy: 0.9233257750676997
Energy: 0.7975678643233823
Energy: 0.7850629954800606
Energy: 0.8388615786340794
Energy: 0.828986915250719
Energy: 0.7967137943989956
Energy: 0.7944681906646425
Energy: 0.802721788966609
Energy: 0.8312168474049383
Energy: 0.7957452009719767
Energy: 0.8342531961787325
Energy: 0.8352780600823696
Energy: 0.9103025089225021
Energy: 0.8560517652111296
Energy: 0.8429175158094171
Energy: 0.8254833248227254
Energy: 0.8411041733770395
Energy: 0.8489466168288675
Energy: 0.9162509443863628
Energy: 0.8117685701375618
Energy: 0.8115618296555388
Energy: 0.7902123107644673
Energy: 0.799764489692798
Energy: 0.8078524843380968
Energy: 0.8832528277886476
Energy: 0.8079396110169313
Energy: 0.8467540969652917
Energy: 0.8408691621077207
Energy: 0.796250858290437
Energy: 0.844938896624777
Energy: 0.9161928292183479
Energy: 0.840969910097904
Energy: 0.845324759942946
Energy: 0.842545081400762
Energy: 0.8505058144620373
Energy: 0.8428486904135801
Energy: 0.9156105789232126
Energy: 0.8327699133802601
Energy: 0.832068527489318
Energy: 0.8357104276517391
Energy: 0.8420772943515701
Energy: 0.842988424190012
Energy: 0.8803717017420802
Energy: 0.8590519896593738
Energy: 0.8558874148121495
Energy: 0.8467639382225705
Energy: 0.8026685469108428
Energy: 0.8598923200464453
Energy: 0.8861433248493715
Energy: 0.8265895917447796
Energy: 0.8290572917008515
Energy: 0.8349401073309467
Energy: 0.8208409125186783
Energy: 0.8284885650394331
Energy: 0.9159657545105521
Energy: 0.8278939260132753
Energy: 0.8263720955974182
Energy: 0.813821564825617
Energy: 0.848086972973306
Energy: 0.8262480443718908
Energy: 0.9142804066204869
Energy: 0.8249223262976005
Energy: 0.8222153531759953
Energy: 0.8137457402471339
Energy: 0.8274309735717521
Energy: 0.8219314461116379
Energy: 0.8991687199533225
Energy: 0.8352692508733621
Energy: 0.8362000202584298
Energy: 0.8304499214660508
Energy: 0.82426010029372
Energy: 0.8345655328567696
Energy: 0.840929813667333
Energy: 0.8307596720473532
Energy: 0.841999593886704
Energy: 0.8284605527826002
Energy: 0.8317092203082019
Energy: 0.8374001277448528
Energy: 0.7932115143208376
Energy: 0.8268962355061894
Energy: 0.8241950929533108
Energy: 0.7944680960514957
Energy: 0.8297072814115973
Energy: 0.8234281660531942
Energy: 0.8386708114377968
Energy: 0.8466387192922941
Energy: 0.8445371633513964
Energy: 0.8313347738208793
Energy: 0.8412810729858381
Energy: 0.8448694522881222
Energy: 0.8673836733723652
Energy: 0.8051803786640117
Energy: 0.8094134888192722
Energy: 0.8415280193810508
Energy: 0.8063656935691877
Energy: 0.808608650912896
Energy: 0.880595931306505
Energy: 0.8094159057550033
Energy: 0.8089864298529086
Energy: 0.790031545441377
Energy: 0.8083036500539397
Energy: 0.8037180000920748
Energy: 0.9722702675804633
Energy: 0.844996045241699
Energy: 0.8442419926437175
Energy: 0.8288069618208934
Energy: 0.8429565805172746
Energy: 0.8408696886926174
Energy: 0.7937718782541539
Energy: 0.813388940764287
Energy: 0.8255747932257406
Energy: 0.7944933496462853
Energy: 0.8384292137346949
Energy: 0.7918433307580558
Energy: 0.9472030044683776
Energy: 0.7854398079737368
Energy: 0.788059198139955
Energy: 0.7896497671438361
Energy: 0.7838129960350948
Energy: 0.7838588595250653
Energy: 0.8930366119707701
Energy: 0.7779674149030831
Energy: 0.7837745079667159
Energy: 0.7946305473178578
Energy: 0.7705858679369443
Energy: 0.7792045835145099
Energy: 0.8645378829670654
Energy: 0.8348525405255833
Energy: 0.8454340667158005
Energy: 0.7885915008649995
Energy: 0.7897564999941816
Energy: 0.8088282857576429

minimum gb energy = 0.7705858679369443 eV
minimum distance =  2.29644060888137 Angstroms
sigma value = 19


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

Energy: 0.8051657948685021
Energy: 0.7802726882511157
Energy: 0.7909298419207637
Energy: 0.791739286318679
Energy: 0.8091197674388668
Energy: 0.7890605666151335
Energy: 0.8700336145366688
Energy: 0.7677916820047349
Energy: 0.7738704431083138
Energy: 0.767576000104605
Energy: 0.7788115477451443
Energy: 0.77332019453415
Energy: 0.796618365124605
Energy: 0.7712224681863056
Energy: 0.7678782833400081
Energy: 0.7614691476857378
Energy: 0.7694227871496506
Energy: 0.7734951436570124
Energy: 0.7942565571532977
Energy: 0.7720305482453911
Energy: 0.770684635253822
Energy: 0.7897548288445221
Energy: 0.7679975504088001
Energy: 0.7707521788477845
Energy: 0.780083778529126
Energy: 0.7767291917150282
Energy: 0.7798091318611166
Energy: 0.7760959523420572
Energy: 0.7657100198257105
Energy: 0.7799279999958535
Energy: 0.7777415932947841
Energy: 0.7711403812698993
Energy: 0.7705063966938748
Energy: 0.7695717322283072
Energy: 0.7687679549486989
Energy: 0.7736907370968231
Energy: 0.7793407543988436
Energy: 0.7564668837055523
Energy: 0.756266032473492
Energy: 0.7661064400411511
Energy: 0.7625843573829559
Energy: 0.7617438110767973
Energy: 0.7861070268705818
Energy: 0.7579775459890531
Energy: 0.7713536023002605
Energy: 0.782023431066594
Energy: 0.7606749117522197
Energy: 0.7720706323065618
Energy: 0.7659805421103539
Energy: 0.7728633496958978
Energy: 0.7686901357889735
Energy: 0.7664730064057851
Energy: 0.779778259700394
Energy: 0.768532697822711
Energy: 0.7673196634302278
Energy: 0.7626167791720077
Energy: 0.7602027806346039
Energy: 0.7678720949579907
Energy: 0.7612754366873185
Energy: 0.759968264332102
Energy: 0.7968357901982065
Energy: 0.7648616825524752
Energy: 0.7632525559942641
Energy: 0.7973692678777985
Energy: 0.757135074752047
Energy: 0.7630233436569891
Energy: 0.8023147373122715
Energy: 0.7595869486153248
Energy: 0.7654880848649814
Energy: 0.7628236556104125
Energy: 0.7544973220857352
Energy: 0.7635788028079977
Energy: 0.7902274338283517
Energy: 0.7571643267994197
Energy: 0.7515889578833144
Energy: 0.7604566050775621
Energy: 0.7623951903866224
Energy: 0.7526692226611992
Energy: 0.8066347183395721
Energy: 0.7627035511809693
Energy: 0.7623368162367198
Energy: 0.7515514375653143
Energy: 0.7654042149293094
Energy: 0.7627455595925122
Energy: 0.8060590698886874
Energy: 0.7581646915544163
Energy: 0.7605182804025485
Energy: 0.7740569562354608
Energy: 0.7520019826335399
Energy: 0.7605242978261602
Energy: 0.8108016930901216
Energy: 0.7598696501890444
Energy: 0.7570092550194734
Energy: 0.7511310504821819
Energy: 0.7520695185661914
Energy: 0.7525933364449537
Energy: 0.7752252681784008
Energy: 0.7613029572731624
Energy: 0.7691007971402419
Energy: 0.7505162457580717
Energy: 0.7741232878898197
Energy: 0.7692840665674973
Energy: 0.7918604625416672
Energy: 0.7503743681851587
Energy: 0.7501024941764428
Energy: 0.7472965722378544
Energy: 0.7504058942886316
Energy: 0.7587709455112724
Energy: 0.808550859059543
Energy: 0.7578540303744771
Energy: 0.7600808788276964
Energy: 0.7684597854362191
Energy: 0.7688207789930644
Energy: 0.7638904613374694
Energy: 0.7718123843380128
Energy: 0.7591590273087234
Energy: 0.7605609764683651
Energy: 0.7551404055607642
Energy: 0.7524005973502611
Energy: 0.7636334018650967
Energy: 0.7502343138944585
Energy: 0.7632848821798246
Energy: 0.7622756731333753
Energy: 0.7517170426015267
Energy: 0.752596956550847
Energy: 0.7614635708343837
Energy: 0.747881995290018
Energy: 0.7682048337963768
Energy: 0.7656047652528212
Energy: 0.7496179033265942
Energy: 0.7655535037875718
Energy: 0.7643456690665841
Energy: 0.7619463896391561
Energy: 0.7546032811775479
Energy: 0.7541987507384321
Energy: 0.7708794583697072
Energy: 0.7793989149835471
Energy: 0.7529135373087198
Energy: 0.7855767858699708
Energy: 0.7539962422673477
Energy: 0.7500311133515518
Energy: 0.781103395235155
Energy: 0.7448034511831545
Energy: 0.7596946936072234
Energy: 0.7876648693535389
Energy: 0.7669341166693211
Energy: 0.7656527518752112
Energy: 0.7548426981942835
Energy: 0.7737459869106816
Energy: 0.7648628515340195
Energy: 0.7764567263394033
Energy: 0.7698915074864512
Energy: 0.7642210713248114
Energy: 0.7636139703993166
Energy: 0.7684066801007279
Energy: 0.7636048258081936
Energy: 0.8013752925875732
Energy: 0.7732156210912712
Energy: 0.7726530102872355
Energy: 0.7608315156733317
Energy: 0.7674720103028454
Energy: 0.7606147796332615
Energy: 0.7987512708732848
Energy: 0.7680365001783124
Energy: 0.7677624185543994
Energy: 0.7771524004254645
Energy: 0.767131108066272
Energy: 0.7705736029197672
Energy: 0.7887206093863688
Energy: 0.7920496699173468
Energy: 0.791211179756334
Energy: 0.7435597395967453
Energy: 0.7916813878329738
Energy: 0.7567493879601279

minimum gb energy = 0.7435597395967453 eV
minimum distance =  2.34283780361557 Angstroms
sigma value = 101


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

Energy: 0.759474205244469
Energy: 0.7548395694577985
Energy: 0.7525219173673169
Energy: 0.7276638044589206
Energy: 0.7296896276142489
Energy: 0.74812532452141
Energy: 0.8239484353400576
Energy: 0.7293450062151422
Energy: 0.7296658372209499
Energy: 0.7262818661238009
Energy: 0.7247775345582774
Energy: 0.7284458628224226
Energy: 0.7701793489869
Energy: 0.7321929784763572
Energy: 0.7313751138349981
Energy: 0.763763385265526
Energy: 0.7251755793934929
Energy: 0.7470931073380458
Energy: 0.7590230393689221
Energy: 0.7287427887360056
Energy: 0.7275074930795736
Energy: 0.7361486327849522
Energy: 0.7255291743387532
Energy: 0.7275098733683139
Energy: 0.7465291545471339
Energy: 0.7534947134620729
Energy: 0.7538892405807097
Energy: 0.7576444585566253
Energy: 0.7658630109487256
Energy: 0.7532974564102897
Energy: 0.7431677224172085
Energy: 0.7294693454432878
Energy: 0.7282568705068723
Energy: 0.7416866855841424
Energy: 0.728688786848405
Energy: 0.7280632480513698
Energy: 0.7644353279695216
Energy: 0.7251777197883971
Energy: 0.7238319096668419
Energy: 0.7510209523615254
Energy: 0.7211309192027056
Energy: 0.7388804235282271
Energy: 0.7301424754965554
Energy: 0.7285835796970943
Energy: 0.7282965643391963
Energy: 0.7399802303588451
Energy: 0.7299022337944344
Energy: 0.7261887781267813
Energy: 0.7240435738415915
Energy: 0.7292991554692128
Energy: 0.7288668984675709
Energy: 0.7251654844899349
Energy: 0.7502109428771717
Energy: 0.730874209371505
Energy: 0.7284262094037355
Energy: 0.7284817966285613
Energy: 0.7274936605750589
Energy: 0.7261598286152964
Energy: 0.727135220060728
Energy: 0.72860573577984
Energy: 0.7628388228557199
Energy: 0.7206979874833004
Energy: 0.736293159467092
Energy: 0.7557669152596771
Energy: 0.7077127531138165
Energy: 0.7352186590432094
Energy: 0.771988634934595
Energy: 0.7257828825957162
Energy: 0.7299949727908537
Energy: 0.7442695977522746
Energy: 0.7271965700059098
Energy: 0.7299333825411962
Energy: 0.7421757238607509
Energy: 0.7421176030177873
Energy: 0.741588822626873
Energy: 0.7240156730850598
Energy: 0.7411935839055344
Energy: 0.7268376865987444
Energy: 0.7390897842757264
Energy: 0.7316720791118181
Energy: 0.7310592017074907
Energy: 0.719558820490836
Energy: 0.7300689337238785
Energy: 0.7308800414804097
Energy: 0.773951887216296
Energy: 0.7370966348953281
Energy: 0.7380011443596634
Energy: 0.7654608521478398
Energy: 0.7331784315596851
Energy: 0.7401101607863791
Energy: 0.7698435135745494
Energy: 0.7246655176682136
Energy: 0.7288353835468666
Energy: 0.730390314390527
Energy: 0.7293037716030659
Energy: 0.7288137462395244
Energy: 0.7426326615354419
Energy: 0.7485054272363713
Energy: 0.7244978342195286
Energy: 0.7055911153542421
Energy: 0.75618799010319
Energy: 0.7207380734245459
Energy: 0.8075632920645194
Energy: 0.7317497006731575
Energy: 0.730374057526918
Energy: 0.7237440892438004
Energy: 0.7301419824128386
Energy: 0.7249357372657367
Energy: 0.7699419884069053
Energy: 0.7303837798562197
Energy: 0.726087858517393
Energy: 0.764871456231291
Energy: 0.7273038569062141
Energy: 0.7265308491840395
Energy: 0.7580519514121014
Energy: 0.7319405962972848
Energy: 0.7281998068785364
Energy: 0.7295222031897343
Energy: 0.7239964885349488
Energy: 0.7288217886987558
Energy: 0.7430704138790208
Energy: 0.7292161332052023
Energy: 0.7467834926310762
Energy: 0.7435697780061815
Energy: 0.7291317962623824
Energy: 0.7241462051598826
Energy: 0.7403779114769917
Energy: 0.7307421049838694
Energy: 0.728423645827302
Energy: 0.7311492699254889
Energy: 0.7291414641440193
Energy: 0.7279231376886283
Energy: 0.7471232382986619
Energy: 0.7221980290123708
Energy: 0.7227813113744251
Energy: 0.740095373814086
Energy: 0.7188808535896141
Energy: 0.7242833214741354
Energy: 0.7491426090836252
Energy: 0.7266374180034176
Energy: 0.7269060955700529
Energy: 0.7423510306911073
Energy: 0.7176890600740371
Energy: 0.74076320417073
Energy: 0.7268892463878114
Energy: 0.7327369449736396
Energy: 0.7297674828446346
Energy: 0.729083688454664
Energy: 0.7280261701435539
Energy: 0.7277877926739827
Energy: 0.7246236787454177
Energy: 0.7331837267460917
Energy: 0.7312081883906293
Energy: 0.7283171075538146
Energy: 0.73772129247563
Energy: 0.7315927763683708
Energy: 0.7412204092908564
Energy: 0.7212589696268645
Energy: 0.7233111804056853
Energy: 0.723648547513395
Energy: 0.7086274084238465
Energy: 0.7258605782515812
Energy: 0.7704153351250839
Energy: 0.7244879120614808
Energy: 0.7261178686915291
Energy: 0.749825871610379
Energy: 0.7075810703505601
Energy: 0.7333253954903522
Energy: 0.7398034504427057
Energy: 0.7330877648916311
Energy: 0.7325772305581993
Energy: 0.7257925870498473
Energy: 0.7521260492300024
Energy: 0.7328491739954038
Energy: 0.7404618834561203
Energy: 0.7330869357327299
Energy: 0.7332453145701757
Energy: 0.7270156364455316
Energy: 0.7274108461608538
Energy: 0.7324502224587869
Energy: 0.7702360187671865
Energy: 0.7290147018517351
Energy: 0.7337500763949916
Energy: 0.7306877762677778
Energy: 0.7259165295110398
Energy: 0.7344328177543497
Energy: 0.7711007901164874
Energy: 0.7205874107906591
Energy: 0.7268885562760389
Energy: 0.7411921030547718
Energy: 0.7241766911928331
Energy: 0.7273659905137203
Energy: 0.7376764245161521
Energy: 0.7371699390228112
Energy: 0.724777472023823
Energy: 0.7050015445451333
Energy: 0.7331597638057843
Energy: 0.7239931291644662

minimum gb energy = 0.7050015445451333 eV
minimum distance =  2.35714733472823 Angstroms
sigma value = 33


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

Energy: 0.015447302531401341
Energy: 0.01649276018874382
Energy: 0.016531445862571596
Energy: 0.017844830532338228
Energy: 0.9053640131725098
Energy: 0.01632372981399892
Energy: 0.01711907204930239
Energy: 0.10388484235332042
Energy: 0.10263616717829142
Energy: 0.10460979838362985
Energy: 0.10378633532669711
Energy: 0.10234231141584621
Energy: 1.1908451338826542
Energy: 0.9059985106593018
Energy: 0.9048043344924463
Energy: 0.9025517125070296
Energy: 0.9054313903058686
Energy: 0.9044801515664654
Energy: 0.3782872330674902
Energy: 0.10388484235332042
Energy: 0.10263616717917848
Energy: 0.10460979838404873
Energy: 0.10378633532408525
Energy: 0.10234231141540269

minimum gb energy = 0.015447302531401341 eV
minimum distance =  2.52288034821405 Angstroms
sigma value = 1