Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.956557989120483
cohesive_energy=1.9185415322216013
mass=207.2
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=[6.76195444026432e-20, 1.003255771208022e-19, 1.267326524023902e-19, 1.501946065953594e-19, 1.7052767003978997e-19, 1.8838072427245199e-19, 2.0417017500052198e-19, 2.1819242490129e-19, 2.3084962030989e-19, 2.42309989772892e-19, 2.5253187669781196e-19, 2.61624229095762e-19, 2.69673564504978e-19, 2.7675198087398996e-19, 2.82926769621426e-19, 2.8824759822293995e-19, 2.9276733850745398e-19, 2.9652284053754995e-19, 2.99930670238068e-19, 3.02668790105574e-19, 3.04754824083042e-19, 3.0621600917324996e-19, 3.07077980202342e-19, 3.07359963289926e-19, 3.07053947552832e-19, 3.06054189333216e-19, 3.04226105793822e-19, 3.01406274917982e-19, 2.9739602680308e-19, 2.91990282839964e-19, 2.84966340476508e-19, 2.75875590255192e-19, 2.64274229248398e-19, 2.4961271087066397e-19, 2.31198894816102e-19, 2.08159594819182e-19, 1.79378093766006e-19, 1.4461005971988898e-19, 1.010683462083246e-19, 4.6329500854724396e-20, -2.2800575678453996e-20, -1.105506683989902e-19, -2.22825919726818e-19, -3.6805201636247997e-19, -5.57418079264842e-19, -8.080017091757099e-19, -1.1463189293877839e-18, -1.6127509997844e-18, -2.27321627361822e-18, -3.24065859052644e-18, -4.71637542280482e-18, -7.1026893450171e-18, -1.1271953490843599e-17, -1.94198227630506e-17]
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: 0.003935758917642542
Energy: 0.279064360539284
Energy: 0.00427100910251097
Energy: 0.004029205052788518
Energy: 0.2790557959121596
Energy: 0.003983584441421246
Energy: 0.279064360539284
Energy: 0.059187788628716057
Energy: 0.05927240296572172
Energy: 0.059340489915443655
Energy: 0.05914702464016886
Energy: 0.059210628976740017
Energy: 0.0042710091026685205
Energy: 0.0592724029655549
Energy: 0.05930814587291969
Energy: 0.004076714024042446
Energy: 0.05932148167424321
Energy: 0.05954179677361897
Energy: 0.004029205052788518
Energy: 0.05934048991479491
Energy: 0.004076714024209265
Energy: 0.004051003522981459
Energy: 0.05914476181621846
Energy: 0.004022362768531146
Energy: 0.2790557959121596
Energy: 0.059147024640493234
Energy: 0.05932148167424321
Energy: 0.05914476181621846
Energy: 0.05911224478367096
Energy: 0.05933916916759399
Energy: 0.003983584441588065
Energy: 0.05921062897852868
Energy: 0.05954179677345216
Energy: 0.004022362768531146
Energy: 0.059339169167269626
Energy: 0.004011216475063425

minimum gb energy = 0.003935758917642542 eV
minimum distance =  3.50120544873979 Angstroms
sigma value = 1


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

Energy: 0.7786708007985844
Energy: 0.4376568323369771
Energy: 0.46009300044427587
Energy: 0.43841454489959525
Energy: 0.4375650862161881
Energy: 0.4600988437427798
Energy: 0.6868502722689909
Energy: 0.43390195280809085
Energy: 0.43134514192124945
Energy: 0.43038062791822834
Energy: 0.43435742863540777
Energy: 0.4308379286229711
Energy: 0.6999215719377098
Energy: 0.4328556151658206
Energy: 0.43410542687918174
Energy: 0.43966217088003856
Energy: 0.4327291710542972
Energy: 0.4334981372089601
Energy: 0.7556421481335237
Energy: 0.4397118379117537
Energy: 0.43298701688542796
Energy: 0.43750310476467363
Energy: 0.44548272280747836
Energy: 0.43617758038431537
Energy: 0.6862598464819848
Energy: 0.4335109161807447
Energy: 0.43833008960466424
Energy: 0.4304543477513377
Energy: 0.4337778618408495
Energy: 0.431107724944574
Energy: 0.6834047758982373
Energy: 0.430076718987417
Energy: 0.4448851464970555
Energy: 0.438948785316868
Energy: 0.4339631299990895
Energy: 0.43885696947385294
Energy: 0.6835345002423043
Energy: 0.4401120713722281
Energy: 0.4449095135209661
Energy: 0.4388955077989405
Energy: 0.43405644007066146
Energy: 0.43989424236385
Energy: 0.6432094559850294
Energy: 0.43548742526607215
Energy: 0.449856367970959
Energy: 0.41416689550817143
Energy: 0.4373933178723697
Energy: 0.44002871303070684
Energy: 0.5546086511828429
Energy: 0.4387302389404187
Energy: 0.438498288231829
Energy: 0.43377508451837476
Energy: 0.4388922747458756
Energy: 0.4386505603022656
Energy: 0.5537992122450034
Energy: 0.430453602720594
Energy: 0.4315697077306458
Energy: 0.43406774509209295
Energy: 0.4303930052437257
Energy: 0.4381792100614938
Energy: 0.5224162074086776
Energy: 0.4306101546344584
Energy: 0.42498344271677685
Energy: 0.45794643486851094
Energy: 0.435090418508665
Energy: 0.4390656726503907
Energy: 0.4721262872213007
Energy: 0.4374103674817829
Energy: 0.4334936922239318
Energy: 0.4381784646859721
Energy: 0.4357328198798545
Energy: 0.4336569289669217
Energy: 0.47244743176882753
Energy: 0.43022161143190524
Energy: 0.430730853289945
Energy: 0.44175894778947217
Energy: 0.43123227763505834
Energy: 0.4311075154864785
Energy: 0.5075758038588635
Energy: 0.4369773717392239
Energy: 0.4336675159791859
Energy: 0.43762241687281583
Energy: 0.43476677334318864
Energy: 0.44030564997197524
Energy: 0.4968184914183195
Energy: 0.4299532302425472
Energy: 0.4304980863926545
Energy: 0.43948709705242434
Energy: 0.4303148734987816
Energy: 0.43112295123335126
Energy: 0.4967987852374415
Energy: 0.4391878771093811
Energy: 0.43910130549287496
Energy: 0.43302334859599795
Energy: 0.4455608379829167
Energy: 0.43911447990208563
Energy: 0.642961966373298
Energy: 0.43813575464770504
Energy: 0.4392226490830734
Energy: 0.4448276994480642
Energy: 0.43778352991736397
Energy: 0.4390917085370847
Energy: 0.6219746684223165
Energy: 0.43950378165564824
Energy: 0.4453742957700964
Energy: 0.43940312052991415
Energy: 0.4388749479727624
Energy: 0.44032106882367444
Energy: 0.6221698039855862
Energy: 0.44570631920415377
Energy: 0.4404115479580657
Energy: 0.43881915540721383
Energy: 0.4397215039499882
Energy: 0.44522361166744273
Energy: 0.6463355564475624
Energy: 0.4395354865377541
Energy: 0.44548551890461835
Energy: 0.43903243705256645
Energy: 0.43908087913672117
Energy: 0.4398424194075096
Energy: 0.7114772014837712
Energy: 0.4338537828826369
Energy: 0.4318791323240647
Energy: 0.43555442838573016
Energy: 0.4398037743908619
Energy: 0.43582584910138766
Energy: 0.7116079545499483
Energy: 0.44619990484192307
Energy: 0.43925674438208595
Energy: 0.43642690637898757
Energy: 0.43267095862010013
Energy: 0.43927146279541185
Energy: 0.7122108277206308
Energy: 0.43381476244466294
Energy: 0.43086976234123653
Energy: 0.4234861269019533
Energy: 0.43436394269405865
Energy: 0.4305937540280357

minimum gb energy = 0.41416689550817143 eV
minimum distance =  3.28259906527867 Angstroms
sigma value = 33


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

Energy: 0.8912475856757598
Energy: 0.46768138888411614
Energy: 0.4831685691497089
Energy: 0.48343244368111876
Energy: 0.4662834744403651
Energy: 0.5064980068074373
Energy: 0.677399733479997
Energy: 0.45874546947608397
Energy: 0.45484706175737666
Energy: 0.46532000780508465
Energy: 0.4694167432649766
Energy: 0.4579699114394114
Energy: 0.6716516585068164
Energy: 0.461281100794883
Energy: 0.4542348702628412
Energy: 0.4778763489010134
Energy: 0.4625255100056899
Energy: 0.47096039853499977
Energy: 0.7230334930224459
Energy: 0.47950643226918704
Energy: 0.46786234007919597
Energy: 0.49033700602277247
Energy: 0.4695150634107022
Energy: 0.4784756165585256
Energy: 0.6777192294522251
Energy: 0.45453969132499306
Energy: 0.45664155075024043
Energy: 0.45523717642452377
Energy: 0.45952297984981477
Energy: 0.46689193058447764
Energy: 0.7281519506663964
Energy: 0.4620181381027695
Energy: 0.46868860775441695
Energy: 0.46444053573135236
Energy: 0.46826808321216945
Energy: 0.4655709462543755
Energy: 0.7278568842589994
Energy: 0.4583854364370828
Energy: 0.49983345559403863
Energy: 0.46430285921982734
Energy: 0.5117131833330582
Energy: 0.5122065169184422
Energy: 0.6729559707266682
Energy: 0.47298513610701304
Energy: 0.4702035044922637
Energy: 0.46119717652211184
Energy: 0.46375414468112236
Energy: 0.46988160274547447
Energy: 0.5896308307266875
Energy: 0.46421489003122884
Energy: 0.5104598965279115
Energy: 0.5055662483170464
Energy: 0.46388578498746547
Energy: 0.462698452676597
Energy: 0.5905146838532231
Energy: 0.515775292092628
Energy: 0.5148638116977041
Energy: 0.5116947818570936
Energy: 0.5096900304287298
Energy: 0.49958149073596875
Energy: 0.5963299774190415
Energy: 0.45841793269784914
Energy: 0.45838941922996995
Energy: 0.4754681513723146
Energy: 0.45854938446883925
Energy: 0.4584128488048863
Energy: 0.5260677594357831
Energy: 0.4460751180220685
Energy: 0.5114004636521537
Energy: 0.5225688322861545
Energy: 0.44597843173859936
Energy: 0.5003819900120398
Energy: 0.5263749480149036
Energy: 0.5077186394413299
Energy: 0.5101427383601049
Energy: 0.5110579134278634
Energy: 0.5067517811009755
Energy: 0.4971231232544537
Energy: 0.5372021112298951
Energy: 0.48041245779273717
Energy: 0.4769524040659036
Energy: 0.5114665613617001
Energy: 0.48059130491827884
Energy: 0.4767590850659072
Energy: 0.5754538949127381
Energy: 0.49491325764907246
Energy: 0.5165147845864935
Energy: 0.5081739245414183
Energy: 0.49009385504448705
Energy: 0.5044896438494655
Energy: 0.5755992700115885
Energy: 0.5014502576336194
Energy: 0.5027350030944455
Energy: 0.5175056185617323
Energy: 0.5028579826574048
Energy: 0.5076009993449176
Energy: 0.6770914713554432
Energy: 0.5149087489344337
Energy: 0.5130019365846885
Energy: 0.5089027184165668
Energy: 0.5007741845683497
Energy: 0.5113545179583179
Energy: 0.639312859489722
Energy: 0.48940672741572705
Energy: 0.48971025124369244
Energy: 0.46400263891811283
Energy: 0.49440095780900756
Energy: 0.4949345818990011
Energy: 0.6381189456538385
Energy: 0.4993544317335338
Energy: 0.5134450254929351
Energy: 0.46410728240529603
Energy: 0.5048589979022827
Energy: 0.5154976996866598
Energy: 0.7000554656584117
Energy: 0.5025286873548547
Energy: 0.49367903790401796
Energy: 0.48867587907833304
Energy: 0.5118322596426298
Energy: 0.5144565405827459
Energy: 0.7790937498798577
Energy: 0.5123534622843127
Energy: 0.45833923799715764
Energy: 0.44597942691435305
Energy: 0.5240933615417368
Energy: 0.4583707859019177
Energy: 0.6107287365732211
Energy: 0.5072235213721124
Energy: 0.5046787247412088
Energy: 0.44595208250300605
Energy: 0.5170914899653564
Energy: 0.5038252682848938
Energy: 0.5074593089851139
Energy: 0.5113287544183033
Energy: 0.4979114298805341
Energy: 0.5084547016245906
Energy: 0.5183792973777664
Energy: 0.5163090509567979
Energy: 0.7238177880850608
Energy: 0.5394695091591244
Energy: 0.5267374139219763
Energy: 0.4800304693084854
Energy: 0.5293053015854423
Energy: 0.4898585776541783
Energy: 0.5074163050917926
Energy: 0.49029638860043184
Energy: 0.48963230011393505
Energy: 0.5067940251453427
Energy: 0.49733360838103907
Energy: 0.5180572602949853
Energy: 0.7302015258469994
Energy: 0.5161870426252594
Energy: 0.5225988950619789
Energy: 0.5058267454520636
Energy: 0.5225032264737662
Energy: 0.5128831344275326
Energy: 0.7287515075993708
Energy: 0.5000531703888944
Energy: 0.5000127833681683
Energy: 0.5113867169955865
Energy: 0.5052781534259945
Energy: 0.506133504046702
Energy: 0.676972475324125
Energy: 0.4762658350036646
Energy: 0.4637551658670889
Energy: 0.4955926664854886
Energy: 0.4640486700420236
Energy: 0.509042279748387
Energy: 0.5917340871719178
Energy: 0.4636843131466664
Energy: 0.48106241608655137
Energy: 0.5122469074668689
Energy: 0.4644694545718154
Energy: 0.5028815277585017
Energy: 0.5917064587953677
Energy: 0.51034734866677
Energy: 0.5105418362162578
Energy: 0.5102280733421883
Energy: 0.5091307999186084
Energy: 0.5111433854805641
Energy: 0.6290602596691688
Energy: 0.4465347754463631
Energy: 0.4509128521983135
Energy: 0.5206696468982803
Energy: 0.44610495215090945
Energy: 0.4584475431415812
Energy: 0.5251416263151487
Energy: 0.4459999300823427
Energy: 0.44581255972579376
Energy: 0.5231520709883323
Energy: 0.4459168219061524
Energy: 0.504969610684477
Energy: 0.5254093306540183
Energy: 0.508067683866999
Energy: 0.5123074820486941
Energy: 0.5247926503386082
Energy: 0.5092319463733641
Energy: 0.45897736060205746
Energy: 0.5250354876855712
Energy: 0.4802596857286956
Energy: 0.47847420972825755
Energy: 0.5245633790882824
Energy: 0.48024732834498596
Energy: 0.4764827639985077
Energy: 0.5743480000256812
Energy: 0.5081334065349469
Energy: 0.46785344273211404
Energy: 0.4706535031704139
Energy: 0.5102334189575491
Energy: 0.5135074086718815
Energy: 0.5737202584998339
Energy: 0.46568700994661244
Energy: 0.46566194360112195
Energy: 0.46884962520226325
Energy: 0.470718429884695
Energy: 0.4602403168996744
Energy: 0.5745735926958032
Energy: 0.4608802109152843
Energy: 0.45820543490250293
Energy: 0.46312170065317815
Energy: 0.45962462921903197
Energy: 0.46100510946136203
Energy: 0.6380907271814742
Energy: 0.4593518855223623
Energy: 0.4735557937618524
Energy: 0.46410468649909503
Energy: 0.45441059838211617
Energy: 0.46273964448689414
Energy: 0.6387116445362501
Energy: 0.45999228994020924
Energy: 0.45450506356353887
Energy: 0.4767691538217542
Energy: 0.45612881080719087
Energy: 0.4701348912883328
Energy: 0.6773316442539303
Energy: 0.45576062024427666
Energy: 0.46614081616701325
Energy: 0.4506898011485365
Energy: 0.46110239970484723
Energy: 0.46166284790397644
Energy: 0.7840973497908399
Energy: 0.46489880224336577
Energy: 0.45874569487642486
Energy: 0.4457530162032279
Energy: 0.4603729593100048
Energy: 0.4674914615825493

minimum gb energy = 0.4457530162032279 eV
minimum distance =  3.17695130483767 Angstroms
sigma value = 51


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

Energy: 0.8018577798248445
Energy: 0.48449558840057744
Energy: 0.48176330057597677
Energy: 0.461500549651358
Energy: 0.4845494906155582
Energy: 0.46188841729895674
Energy: 0.6112406647953016
Energy: 0.4873229357354334
Energy: 0.47916335677369676
Energy: 0.451585877556203
Energy: 0.48529589073859564
Energy: 0.4582832062272736
Energy: 0.7127266205376824
Energy: 0.48147250510012257
Energy: 0.4749519634852189
Energy: 0.4522463321611596
Energy: 0.4810882630609199
Energy: 0.4720491642257451
Energy: 0.7129327706320513
Energy: 0.4805333220311443
Energy: 0.4756601524945121
Energy: 0.4510508914928861
Energy: 0.48054471097379237
Energy: 0.48338124844925545
Energy: 0.6113173605953365
Energy: 0.4517366260534505
Energy: 0.45268961603289604
Energy: 0.4583246934610192
Energy: 0.4526010213817769
Energy: 0.4531172760928444
Energy: 0.6113500019164874
Energy: 0.4500915589433364
Energy: 0.4521134448772272
Energy: 0.4524276774031574
Energy: 0.4520560553889314
Energy: 0.45290999647158536
Energy: 0.6112945775076418
Energy: 0.45060929383712167
Energy: 0.45030281318851956
Energy: 0.4524553238418203
Energy: 0.45153901741852104
Energy: 0.4500522217230229
Energy: 0.5859194421878172
Energy: 0.457452245021325
Energy: 0.45745256987572247
Energy: 0.4777907084245551
Energy: 0.43221161821792053
Energy: 0.4743813609159103
Energy: 0.49595056280026173
Energy: 0.4805746718399653
Energy: 0.4748321212426126
Energy: 0.4809485784927052
Energy: 0.47142258069055715
Energy: 0.4718256236194023
Energy: 0.4958664414647404
Energy: 0.4522497304859175
Energy: 0.4715927154352029
Energy: 0.4852595869595517
Energy: 0.4513647602047142
Energy: 0.47123466052871227
Energy: 0.495629503021389
Energy: 0.4602193162578281
Energy: 0.46006182270549417
Energy: 0.49546631904116384
Energy: 0.44992245296923805
Energy: 0.46662524145478557
Energy: 0.526577600755231
Energy: 0.45250540925778104
Energy: 0.4517158513814283
Energy: 0.47971887204496627
Energy: 0.451802670246999
Energy: 0.4711666658712796
Energy: 0.5262357168469112
Energy: 0.47157279733268637
Energy: 0.47157068014434583
Energy: 0.4886487398206864
Energy: 0.4868465984375862
Energy: 0.47489099385221606
Energy: 0.5266808672641177
Energy: 0.46136445654243097
Energy: 0.4613174896257558
Energy: 0.4672670859084119
Energy: 0.452562707974164
Energy: 0.46147601332569455
Energy: 0.655803851606462
Energy: 0.4749126571016023
Energy: 0.46901758783783287
Energy: 0.43989250891567344
Energy: 0.4841792884150924
Energy: 0.46891948194916816
Energy: 0.6554527599055487
Energy: 0.4876409230489616
Energy: 0.48428836973756706
Energy: 0.43550694317198424
Energy: 0.48889700519739265
Energy: 0.4786762986853211
Energy: 0.6540738940938562
Energy: 0.487573468427326
Energy: 0.4748831921963935
Energy: 0.45165688369534174
Energy: 0.4889837533847659
Energy: 0.4699419776298043
Energy: 0.7692475947885886
Energy: 0.482500855708591
Energy: 0.4496476708078518
Energy: 0.43142738012835463
Energy: 0.4793226030842049
Energy: 0.4490912583270214

minimum gb energy = 0.43142738012835463 eV
minimum distance =  3.28639009867334 Angstroms
sigma value = 19


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

Energy: 0.7415748670853485
Energy: 0.4731232440687829
Energy: 0.4678042320932632
Energy: 0.4447737176834491
Energy: 0.47694434819221915
Energy: 0.4997564368636203
Energy: 0.6489182395194008
Energy: 0.47790928289819
Energy: 0.46204000290128056
Energy: 0.4843256598666356
Energy: 0.4776433591848117
Energy: 0.46875173452274427
Energy: 0.6262138449071516
Energy: 0.4777416249910549
Energy: 0.48214837264908744
Energy: 0.4977635881662494
Energy: 0.4749187662088753
Energy: 0.47012865079265737
Energy: 0.6057400351935762
Energy: 0.48016663889429223
Energy: 0.47667908009767496
Energy: 0.5104394995669593
Energy: 0.4827167068049022
Energy: 0.4761067692924458
Energy: 0.6481880878355264
Energy: 0.4622033246047129
Energy: 0.4739369842310794
Energy: 0.4855202494128563
Energy: 0.4750291397500995
Energy: 0.4891512601510069
Energy: 0.6430415197947015
Energy: 0.4907458202609138
Energy: 0.5409394794868814
Energy: 0.539324188421178
Energy: 0.4909332675836139
Energy: 0.5487036135268185
Energy: 0.6430656915162596
Energy: 0.4763554639765226
Energy: 0.47926594614137896
Energy: 0.5395841571205569
Energy: 0.4761564990222369
Energy: 0.5489505559621568
Energy: 0.5979430390822631
Energy: 0.45434131478915213
Energy: 0.454660908616391
Energy: 0.47536669934368525
Energy: 0.4587790358114885
Energy: 0.4545677330075201
Energy: 0.5439246775238161
Energy: 0.45357748882761284
Energy: 0.4528397656187233
Energy: 0.5417116872357947
Energy: 0.4542281985145903
Energy: 0.4532964619203031
Energy: 0.5440093102121183
Energy: 0.5372270199877449
Energy: 0.5373445750898919
Energy: 0.5414017312493024
Energy: 0.49215212425895893
Energy: 0.5385803880536169
Energy: 0.5435331095509419
Energy: 0.5106193604672432
Energy: 0.5108623150905609
Energy: 0.541349007051767
Energy: 0.5105289783832601
Energy: 0.5375276549315299
Energy: 0.5897720312615404
Energy: 0.5443146362017337
Energy: 0.543134712330618
Energy: 0.5407741582332148
Energy: 0.5437392734257004
Energy: 0.5424814253794612
Energy: 0.49217490770798406
Energy: 0.5394350432487598
Energy: 0.5528574233952477
Energy: 0.49060293005529754
Energy: 0.5481055593211711
Energy: 0.5545617997340053
Energy: 0.5900785942038825
Energy: 0.5396289497753398
Energy: 0.5493533884155376
Energy: 0.542405458363854
Energy: 0.5392439587930734
Energy: 0.5402261031142558
Energy: 0.6834732435085893
Energy: 0.5408282539542979
Energy: 0.542461115062414
Energy: 0.454267294869881
Energy: 0.5423757540837147
Energy: 0.4529654671694771
Energy: 0.6818722942316171
Energy: 0.47307139596910236
Energy: 0.45082854761097524
Energy: 0.4588391523714013
Energy: 0.5525731774885464
Energy: 0.45418336126203357
Energy: 0.651570965411839
Energy: 0.5423258988889715
Energy: 0.5423103296801044
Energy: 0.5431908155343104
Energy: 0.5421604012375946
Energy: 0.5375123431020851
Energy: 0.6060775367908604
Energy: 0.5426768534393873
Energy: 0.5424177116371187
Energy: 0.5104569210234517
Energy: 0.5425814945068261
Energy: 0.5391360447801181
Energy: 0.6056018548652249
Energy: 0.5440483178534955
Energy: 0.5376267585185611
Energy: 0.5105075902909575
Energy: 0.5376843727214577
Energy: 0.5371012759072623
Energy: 0.6493396095661496
Energy: 0.4909372288433202
Energy: 0.5428953881507432
Energy: 0.5391067035590675
Energy: 0.49087878359623643
Energy: 0.5522679414114298
Energy: 0.6491640257964137
Energy: 0.5433216469499765
Energy: 0.5426204713374178
Energy: 0.5512558909369221
Energy: 0.5377614786488112
Energy: 0.5430707739468037
Energy: 0.649086756484577
Energy: 0.4896216949797411
Energy: 0.5437418446184563
Energy: 0.5415169370355452
Energy: 0.5319577089719588
Energy: 0.48974223321633165
Energy: 0.6003306260836638
Energy: 0.4517609326014737
Energy: 0.4522685065622875
Energy: 0.5587157907973462
Energy: 0.4516841845234048
Energy: 0.4493532298629741
Energy: 0.5385941531804713
Energy: 0.5501124697000878
Energy: 0.4648980257950844
Energy: 0.5399310045937403
Energy: 0.4781638909686509
Energy: 0.5303121135201033
Energy: 0.5385666279257133
Energy: 0.4804478892209388
Energy: 0.46224903069138695
Energy: 0.47402372551538524
Energy: 0.4893430448474577
Energy: 0.5369707215584147
Energy: 0.5979675656202228
Energy: 0.5105635166877962
Energy: 0.5106072400557079
Energy: 0.4779244108355715
Energy: 0.5104793506598592
Energy: 0.4780857983397993
Energy: 0.6263227790219219
Energy: 0.48951799531575263
Energy: 0.49378093783364474
Energy: 0.47764180845156146
Energy: 0.4897191814652605
Energy: 0.4917013120817124
Energy: 0.49217373992328267
Energy: 0.48509847149870566
Energy: 0.49257022409022755
Energy: 0.49091233038670623
Energy: 0.48825052488217674
Energy: 0.4795690233840973
Energy: 0.6214251096955191
Energy: 0.48471544767794544
Energy: 0.47936266923491927
Energy: 0.4656872565094386
Energy: 0.4904734630880572
Energy: 0.47959134160358385
Energy: 0.6901361277291979
Energy: 0.4730128198812765
Energy: 0.45689354718763026
Energy: 0.4587647956039813
Energy: 0.4776176061837135
Energy: 0.48840740489059215

minimum gb energy = 0.4447737176834491 eV
minimum distance =  3.18071102403915 Angstroms
sigma value = 27


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

Energy: 0.5677366619802973
Energy: 0.4286844768205849
Energy: 0.3845701968502436
Energy: 0.43620667811122615
Energy: 0.4707225818507348
Energy: 0.38457507100766847
Energy: 0.5472153058360646
Energy: 0.40580698333159637
Energy: 0.405600771436359
Energy: 0.41985285026182206
Energy: 0.4707880440395569
Energy: 0.4059627131160216
Energy: 0.5031996979015619
Energy: 0.42870693367729634
Energy: 0.4285763235881166
Energy: 0.40562392429161015
Energy: 0.4703197881404125
Energy: 0.4285129032945865
Energy: 0.5030493036545256
Energy: 0.4055621539270816
Energy: 0.4055126409868956
Energy: 0.42273720736259673
Energy: 0.40573094092999024
Energy: 0.40555907857048146
Energy: 0.5478407100774969
Energy: 0.40431246632896406
Energy: 0.4059614066268159
Energy: 0.40587184582251196
Energy: 0.432030175677052
Energy: 0.40573967512671494
Energy: 0.46993210754171005
Energy: 0.4319192951229204
Energy: 0.4322463030050193
Energy: 0.4699747355525207
Energy: 0.43152399607475284
Energy: 0.40975796651112306
Energy: 0.4706109029197099
Energy: 0.4191908037104034
Energy: 0.4056753907708089
Energy: 0.47042739424615526
Energy: 0.4194619643231373
Energy: 0.4059124314525228
Energy: 0.4952944686374088
Energy: 0.4189892113079138
Energy: 0.4191657180842421
Energy: 0.4952721468315958
Energy: 0.4190451021380332
Energy: 0.41952385343518467
Energy: 0.5031075063698219
Energy: 0.404997207146197
Energy: 0.42065805975576953
Energy: 0.42878959462700045
Energy: 0.4185672406767255
Energy: 0.4211064286435764
Energy: 0.5036482614803852
Energy: 0.42119495005919205
Energy: 0.421955317039402
Energy: 0.4450981469003223
Energy: 0.4216753395685351
Energy: 0.4291436488449342
Energy: 0.503137034574254
Energy: 0.4424531446547865
Energy: 0.44382867832073014
Energy: 0.4288445592582081
Energy: 0.4434822910085928
Energy: 0.44440558498517335
Energy: 0.5030714305039333
Energy: 0.4057534548957658
Energy: 0.40562868473332164
Energy: 0.41989696072429566
Energy: 0.4286339551810177
Energy: 0.4059294389715076

minimum gb energy = 0.3845701968502436 eV
minimum distance =  3.32329240296872 Angstroms
sigma value = 9


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

Energy: 1.0047322266208778
Energy: 0.39308707356234573
Energy: 0.4103319030708031
Energy: 0.3726779672183948
Energy: 0.40477500688931684
Energy: 0.36842720408003815
Energy: 0.4210120562840308
Energy: 0.37262242479502383
Energy: 0.3744936828636731
Energy: 0.37625532277906376
Energy: 0.3918792730569145
Energy: 0.37853968272683
Energy: 0.42146255509424446
Energy: 0.37889758734283824
Energy: 0.39374153851659344
Energy: 0.3939698606877762
Energy: 0.40118261388892446
Energy: 0.3875886072727856
Energy: 0.42111347925900333
Energy: 0.37283888171474416
Energy: 0.37302866881205643
Energy: 0.38644030063634666
Energy: 0.37275642583531915
Energy: 0.3705036696881722
Energy: 0.3844954525746664
Energy: 0.37207498223987323
Energy: 0.3658775341070021
Energy: 0.4019332191186625
Energy: 0.38777007731782
Energy: 0.379841849707506
Energy: 0.4107323386317968
Energy: 0.37233281820573
Energy: 0.36623231504085224
Energy: 0.41092242943577784
Energy: 0.38213449565054514
Energy: 0.3661082447436194
Energy: 0.41106234936662167
Energy: 0.37328486092398483
Energy: 0.3736190818194182
Energy: 0.4111224472406187
Energy: 0.3731264433090712
Energy: 0.37102121983754216
Energy: 0.4197598472917594
Energy: 0.3727337929352238
Energy: 0.3705213056328932
Energy: 0.4193639975560741
Energy: 0.37629068655608916
Energy: 0.37310335437588577
Energy: 0.484961216825153
Energy: 0.37100191151463513
Energy: 0.3842639795316826
Energy: 0.3841406983195199
Energy: 0.398561162247235
Energy: 0.3705661328135915
Energy: 0.3829049342849565
Energy: 0.372786220319664
Energy: 0.37297348062575975
Energy: 0.38769067134788215
Energy: 0.37265702606013457
Energy: 0.3721211274412081
Energy: 0.3829597438287904
Energy: 0.39258282273495565
Energy: 0.3827173345304146
Energy: 0.38872118487023954
Energy: 0.4109041486166278
Energy: 0.37912467310312614
Energy: 0.4846739236767244
Energy: 0.3940962471874733
Energy: 0.3797136085959938
Energy: 0.37992129310289763
Energy: 0.4109671942541802
Energy: 0.3859611816013756
Energy: 0.5182007265167756
Energy: 0.3951887358378008
Energy: 0.3774195383556541
Energy: 0.37178846708821556
Energy: 0.395327712088316
Energy: 0.3762197838365527
Energy: 0.4848160883005131
Energy: 0.38401433889026726
Energy: 0.38022341977902435
Energy: 0.3800937109418295
Energy: 0.38713552850552185
Energy: 0.3854730270988933
Energy: 0.400542644670138
Energy: 0.3742509120746139
Energy: 0.3737652980839427
Energy: 0.4006511851054078
Energy: 0.3742800873957693
Energy: 0.3992305949292389
Energy: 0.4002724206733082
Energy: 0.37404040493336155
Energy: 0.37700980088379155
Energy: 0.4007156571491748
Energy: 0.38693695985703735
Energy: 0.38380746507100727
Energy: 0.4003842368686553
Energy: 0.3693234439593087
Energy: 0.3830231954708434
Energy: 0.39180377100609703
Energy: 0.37900968714978095
Energy: 0.373794074886083
Energy: 0.4322981414032569
Energy: 0.3699519529185942
Energy: 0.3773230809262674
Energy: 0.37850518348866863
Energy: 0.3724884762281149
Energy: 0.3805343787118047
Energy: 0.4216750555766383
Energy: 0.3748792198428665
Energy: 0.37438550318112246
Energy: 0.379133048843375
Energy: 0.375080071884716
Energy: 0.37808987519485326
Energy: 0.42090265936349525
Energy: 0.3737394515307979
Energy: 0.3741362396687769
Energy: 0.3818915723686307
Energy: 0.3817534868610791
Energy: 0.3745619762878206
Energy: 0.42115934714773257
Energy: 0.378366825390915
Energy: 0.3778207062714778
Energy: 0.3786582558362167
Energy: 0.3884585753914801
Energy: 0.37435230455691343
Energy: 0.4424532260504981
Energy: 0.3832711549231546
Energy: 0.3655232009107997
Energy: 0.38841690250626476
Energy: 0.389163057867256
Energy: 0.38024472581054225
Energy: 0.4420261933012533
Energy: 0.3833325567425736
Energy: 0.38067455610581563
Energy: 0.3882341010422613
Energy: 0.3919589770689307
Energy: 0.3653620172252356
Energy: 0.42138814997320423
Energy: 0.370119221830871
Energy: 0.3836053757766947
Energy: 0.39017842314308393
Energy: 0.40124487798044234
Energy: 0.3780174692437498
Energy: 0.5254616111244577
Energy: 0.3757483115393384
Energy: 0.37462488288587326
Energy: 0.3742368922515251
Energy: 0.3921576158746532
Energy: 0.37603772190792556
Energy: 0.4211665919063196
Energy: 0.3703382496902223
Energy: 0.3857916108792011
Energy: 0.4019102470957025
Energy: 0.3796332432269325
Energy: 0.37990708873407436
Energy: 0.39709938111442844
Energy: 0.38176711630152627
Energy: 0.386963417428759
Energy: 0.39730739902546736
Energy: 0.38809773550485877
Energy: 0.3734865794021623
Energy: 0.4108000430601313
Energy: 0.37056540073827615
Energy: 0.37071445237352624
Energy: 0.4108487734034746
Energy: 0.37993434469225806
Energy: 0.3850057156657801
Energy: 0.4108121563983616
Energy: 0.3707386802437789
Energy: 0.3809967908660715
Energy: 0.41087926518587553
Energy: 0.3888625014017888
Energy: 0.37057140990592213
Energy: 0.40139409681250554
Energy: 0.3727260710671824
Energy: 0.3702696229675272
Energy: 0.37953435352145515
Energy: 0.379995606373583
Energy: 0.37032698216953147
Energy: 0.3829735378849973
Energy: 0.3704388099290192
Energy: 0.37061386575555383
Energy: 0.3885514093089862
Energy: 0.38431744971491993
Energy: 0.37320261171727065
Energy: 0.6847807486727181
Energy: 0.39895467602685347
Energy: 0.3727255470853754
Energy: 0.3877926857239282
Energy: 0.4192627623573139
Energy: 0.3721778381764478
Energy: 0.484961144501297
Energy: 0.39420991858850685
Energy: 0.3849632359534382
Energy: 0.38453284500018126
Energy: 0.41141757463127937
Energy: 0.370950420158388
Energy: 0.4131276401007458
Energy: 0.39440315316946367
Energy: 0.38107894750035587
Energy: 0.3883614271729259
Energy: 0.4109870747912079
Energy: 0.3695345230036342
Energy: 0.4130195890212559
Energy: 0.3837188342610306
Energy: 0.38097435866599544
Energy: 0.3889699292408876
Energy: 0.39004159933506116
Energy: 0.37959306762210865
Energy: 0.41051951874596615
Energy: 0.3743824723519792
Energy: 0.3749421129749151
Energy: 0.3785767648522743
Energy: 0.37444958137941226
Energy: 0.37590039863852887
Energy: 0.4006602049793819
Energy: 0.3771079982740404
Energy: 0.3884652476640625
Energy: 0.40078181681268676
Energy: 0.3858552919440185
Energy: 0.3779951586518993
Energy: 0.4004410403646384
Energy: 0.374358981378709
Energy: 0.3745726191565048
Energy: 0.392480367428451
Energy: 0.376232510601753
Energy: 0.3747129577429961
Energy: 0.39331966984064975
Energy: 0.3712622844934075
Energy: 0.371300145278069
Energy: 0.3932134676295769
Energy: 0.371204387132624
Energy: 0.37322344664569
Energy: 0.42099185818043905
Energy: 0.37428369498714664
Energy: 0.3746098561192871
Energy: 0.3928451054672555
Energy: 0.37685369599238194
Energy: 0.3741049578064137
Energy: 0.41981309373984144
Energy: 0.37608142418358165
Energy: 0.3759084529436831
Energy: 0.38136024586817624
Energy: 0.3738976658437514
Energy: 0.3747691562682389
Energy: 0.421768409942567
Energy: 0.3734726063970711
Energy: 0.3743165114264544
Energy: 0.3839239573882143
Energy: 0.3822663012777086
Energy: 0.3750906400722262
Energy: 0.4422348836279301
Energy: 0.37724803164025406
Energy: 0.3840148106255853
Energy: 0.3882452459857599
Energy: 0.3782298139312796
Energy: 0.3652834500996068

minimum gb energy = 0.3652834500996068 eV
minimum distance =  3.26156638365199 Angstroms
sigma value = 57


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

Energy: 0.20760739465652148
Energy: 0.23278687507312498
Energy: 0.20863286538996687
Energy: 0.20735710455326348
Energy: 0.2328768682583939
Energy: 0.20847918874692492
Energy: 0.25419501607419004
Energy: 0.21703353893227503
Energy: 0.2158147727594714
Energy: 0.23050102003820824
Energy: 0.21863825308951862
Energy: 0.2154165051042373
Energy: 0.255547396883927
Energy: 0.2180913881188375
Energy: 0.21852079094997898
Energy: 0.22006406984929752
Energy: 0.22022256855376643
Energy: 0.21531127165133138
Energy: 0.2557171938130626
Energy: 0.2187933006584686
Energy: 0.2169105049133488
Energy: 0.21878775495819056
Energy: 0.2192251680054976
Energy: 0.21570396036316
Energy: 0.2533137200387755
Energy: 0.21072692312064248
Energy: 0.21041933076424132
Energy: 0.22321174925541978
Energy: 0.2082463116535708
Energy: 0.21602614331253647
Energy: 0.2336560938026338
Energy: 0.20788591138845072
Energy: 0.20885790955758685
Energy: 0.21999738976732924
Energy: 0.20806782204862462
Energy: 0.20992746707470009
Energy: 0.23056322186961034
Energy: 0.216957981881979
Energy: 0.21768330132631816
Energy: 0.23029183262286268
Energy: 0.21727198204291956
Energy: 0.2147658637693022
Energy: 0.23393975525906724
Energy: 0.21739647268350132
Energy: 0.2176692317068456
Energy: 0.23324416469109432
Energy: 0.2179079397955659
Energy: 0.21688253984921155
Energy: 0.25277879244022394
Energy: 0.21463780204756971
Energy: 0.21534955484327584
Energy: 0.233009431809348
Energy: 0.21995409443995484
Energy: 0.21790045195193652
Energy: 0.208217021729535
Energy: 0.21695145758958925
Energy: 0.20818004133044432
Energy: 0.20800515886407242
Energy: 0.2297614572297114
Energy: 0.2104385952872748
Energy: 0.20821511099423098
Energy: 0.21799331719833723
Energy: 0.21608181739081664
Energy: 0.20804696153695768
Energy: 0.21846474271016927
Energy: 0.20867815208706803
Energy: 0.2543521319284971
Energy: 0.21788213735008474
Energy: 0.21547914074849372
Energy: 0.21922002419435316
Energy: 0.23262951775992344
Energy: 0.21549901964530835
Energy: 0.41152876453964266
Energy: 0.22171619967214037
Energy: 0.21960881836953186
Energy: 0.21909367238354682
Energy: 0.22053714363376326
Energy: 0.21997387282037506
Energy: 0.253453155819809
Energy: 0.2177421339740524
Energy: 0.21565495966624879
Energy: 0.23217292666055062
Energy: 0.23202260490698906
Energy: 0.21552690165792124
Energy: 0.25557680613912565
Energy: 0.20738716094558735
Energy: 0.20808779193551244
Energy: 0.22069703874766639
Energy: 0.20761378367089364
Energy: 0.20836266351887966
Energy: 0.23254922850812007
Energy: 0.2163467535328916
Energy: 0.215732666303405
Energy: 0.22006561168247998
Energy: 0.20831894353287053
Energy: 0.2158796372943038
Energy: 0.2333664096216712
Energy: 0.21427236273299605
Energy: 0.21569959187562124
Energy: 0.2332611653997132
Energy: 0.21957193169712869
Energy: 0.2179525976256094
Energy: 0.2547812919557639
Energy: 0.21727247270656164
Energy: 0.2166704079992903
Energy: 0.2175030409218224
Energy: 0.21793916575211852
Energy: 0.21622314465045997
Energy: 0.2082259575710165
Energy: 0.21724232189097326
Energy: 0.2176586139120921
Energy: 0.20815039400039634
Energy: 0.21733352945000148
Energy: 0.2164641378429605

minimum gb energy = 0.20735710455326348 eV
minimum distance =  3.36098989052434 Angstroms
sigma value = 11


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

Energy: 0.5645310078165077
Energy: 0.37402982446141403
Energy: 0.37353966270339095
Energy: 0.314226463472642
Energy: 0.37298699622383175
Energy: 0.3724638200222363
Energy: 0.30415358560710154
Energy: 0.3043412680518359
Energy: 0.3040658188515934
Energy: 0.3029711622001016
Energy: 0.30410125622970274
Energy: 0.30158975051527775
Energy: 0.3055907499525253
Energy: 0.3015139816793576
Energy: 0.3013883334953701
Energy: 0.30337728438729183
Energy: 0.30333810604341266
Energy: 0.30110669118879996
Energy: 0.3055249115575221
Energy: 0.3014608680742821
Energy: 0.30109743052124943
Energy: 0.3033597948686218
Energy: 0.3023365856769732
Energy: 0.30184775368304617
Energy: 0.3040528854619132
Energy: 0.33993633278639834
Energy: 0.3371455505770456
Energy: 0.30260869620058006
Energy: 0.3386554253425661
Energy: 0.3029042000729089
Energy: 0.32439854041435506
Energy: 0.30604950124860164
Energy: 0.3052587347727422
Energy: 0.30195568618439167
Energy: 0.30468619745479175
Energy: 0.33785497776086726
Energy: 0.32593045214774563
Energy: 0.30377601240648117
Energy: 0.3017073966854951
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Energy: 0.30290482355279646
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Energy: 0.3125756320492919
Energy: 0.30343060856325726
Energy: 0.30148694677849175
Energy: 0.3042731446350457
Energy: 0.3026136471547332
Energy: 0.3018979012848451
Energy: 0.3253278132150036
Energy: 0.3022379040266939
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Energy: 0.30365498009406805
Energy: 0.30072573773096845
Energy: 0.30116570840063656
Energy: 0.34025078475749393
Energy: 0.30105281574119724
Energy: 0.3013482002864422
Energy: 0.30396874402441404
Energy: 0.30184102554633946
Energy: 0.3021969270042964
Energy: 0.3386724885930485
Energy: 0.3368251915725339
Energy: 0.3370264128552055
Energy: 0.33857318037040973
Energy: 0.3375203874012547
Energy: 0.33742776626443277
Energy: 0.3278230655994624
Energy: 0.30068609741320756
Energy: 0.3027090661831401
Energy: 0.3040880708736287
Energy: 0.30091311785707925
Energy: 0.3009566707354674
Energy: 0.384871022110692
Energy: 0.29838638223931613
Energy: 0.2982587872566203
Energy: 0.3025653880775286
Energy: 0.3022613599431324
Energy: 0.30060823474034165
Energy: 0.3845874034763938
Energy: 0.37324556472988113
Energy: 0.37297590530003694
Energy: 0.3730460354437974
Energy: 0.3732201425595338
Energy: 0.3727883328707466
Energy: 0.3848615047984283
Energy: 0.3132566612159044
Energy: 0.3022859800323174
Energy: 0.3390499646971373
Energy: 0.31366144226006676
Energy: 0.33855006247609476
Energy: 0.4718568187430705
Energy: 0.3737004077563129
Energy: 0.37300895675787105
Energy: 0.3373172288597999
Energy: 0.3378170966484275
Energy: 0.3726199883456272
Energy: 0.5277246502798916
Energy: 0.3021531021272059
Energy: 0.29857562863032144
Energy: 0.31204730058911256
Energy: 0.3022762077654645
Energy: 0.30477367031904395
Energy: 0.60670687358494
Energy: 0.33797456395094033
Energy: 0.33798063123917294
Energy: 0.29806083518801396
Energy: 0.3382255722982668
Energy: 0.3380189740497705
Energy: 0.47210750592466244
Energy: 0.30324403036323666
Energy: 0.302404552576942
Energy: 0.30150471938923035
Energy: 0.3034984030289971
Energy: 0.3016327273774224
Energy: 0.4229545652536094
Energy: 0.3128422525507888
Energy: 0.3107347448227854
Energy: 0.30357669811623456
Energy: 0.31364577100030344
Energy: 0.3071667875821503
Energy: 0.4717092194425321
Energy: 0.33755716759682847
Energy: 0.3376886904113154
Energy: 0.3383623263253939
Energy: 0.37165422373002766
Energy: 0.33747719423662115
Energy: 0.44206716143282077
Energy: 0.30051655038041103
Energy: 0.29787143118793474
Energy: 0.46157455023079
Energy: 0.3066510769566854
Energy: 0.37425281339051797
Energy: 0.3058883253404968
Energy: 0.3389927930191771
Energy: 0.33877023874418294
Energy: 0.337357462491306
Energy: 0.302201934539623
Energy: 0.3384198115826482
Energy: 0.3069270759111166
Energy: 0.3027238958257288
Energy: 0.3018220663766405
Energy: 0.3029915175792388
Energy: 0.3033206092364768
Energy: 0.30167569520234133
Energy: 0.3074616044614745
Energy: 0.3023455359538397
Energy: 0.3009937853226066
Energy: 0.30472783202783116
Energy: 0.3030713985519862
Energy: 0.3007172215505738
Energy: 0.33700950566220633
Energy: 0.3022644734000666
Energy: 0.3027458170581984
Energy: 0.337175204354488
Energy: 0.30256528011928935
Energy: 0.29847100831432183

minimum gb energy = 0.29787143118793474 eV
minimum distance =  3.29675225771054 Angstroms
sigma value = 41


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

Energy: 0.7567544888304124
Energy: 0.4592371153030528
Energy: 0.31830262868876413
Energy: 0.3478126734932787
Energy: 0.4296497270308682
Energy: 0.32851006215402834
Energy: 0.33020445603795073
Energy: 0.3222707946705591
Energy: 0.32249460278311753
Energy: 0.324825819920722
Energy: 0.3229451855699539
Energy: 0.3230676748369404
Energy: 0.3293380728569367
Energy: 0.3231157095428532
Energy: 0.3233755434992236
Energy: 0.32497488028911214
Energy: 0.32240389909532446
Energy: 0.32336371501603245
Energy: 0.329447762906841
Energy: 0.3235373552310865
Energy: 0.32359487249091373
Energy: 0.32444399901595744
Energy: 0.3251460909445362
Energy: 0.3243058507628703
Energy: 0.3297011699185479
Energy: 0.3244320921906307
Energy: 0.3306176071375661
Energy: 0.32567735973150114
Energy: 0.32369872543725503
Energy: 0.3243705351207544
Energy: 0.3608862298677298
Energy: 0.32417015458800374
Energy: 0.3258350234850726
Energy: 0.32588937185501893
Energy: 0.32490582732579343
Energy: 0.3248384156310973
Energy: 0.3606198692528684
Energy: 0.3247064823207227
Energy: 0.3240453023118946
Energy: 0.3248806659341989
Energy: 0.32473293280227566
Energy: 0.3236203636359789
Energy: 0.34130785603594355
Energy: 0.3239761990034431
Energy: 0.32411334845115375
Energy: 0.3173222411515266
Energy: 0.331542893040269
Energy: 0.3346166453887791
Energy: 0.3603926548432614
Energy: 0.3237010634365607
Energy: 0.32430719350041776
Energy: 0.3243191505837463
Energy: 0.32451607072497635
Energy: 0.32455957455623513
Energy: 0.3615115034125333
Energy: 0.32292079793128214
Energy: 0.3232340794239091
Energy: 0.3254870298880311
Energy: 0.324617234931027
Energy: 0.3241030605264829
Energy: 0.3612902716173282
Energy: 0.3258646849976721
Energy: 0.32568016899437363
Energy: 0.32580981338691894
Energy: 0.32555630508318084
Energy: 0.3255194648089854
Energy: 0.3607413568962044
Energy: 0.31781704455093257
Energy: 0.3173867554911418
Energy: 0.32865075305245733
Energy: 0.31806037175685736
Energy: 0.3252941161523811
Energy: 0.3322007609550557
Energy: 0.31843382927976993
Energy: 0.3181022299604829
Energy: 0.33004715798102147
Energy: 0.3177361947721975
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Energy: 0.3332676169928986
Energy: 0.322364508917225
Energy: 0.32271505973177866
Energy: 0.3247338671174276
Energy: 0.32473208992577984
Energy: 0.32297740904620914
Energy: 0.33231002727817704
Energy: 0.32277306128261807
Energy: 0.32294465012713497
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Energy: 0.33788126580806976
Energy: 0.3224728999534172
Energy: 0.33074179393363967
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Energy: 0.3234413996474567
Energy: 0.3242755231315763
Energy: 0.3276557092826384
Energy: 0.32321864993329325
Energy: 0.5478597966463844
Energy: 0.33110887253890803
Energy: 0.3164600548745844
Energy: 0.32109130644132716
Energy: 0.33086485114981146
Energy: 0.31904202298308937
Energy: 0.3414268529596944
Energy: 0.3240687594220662
Energy: 0.324401300907941
Energy: 0.32142926542779976
Energy: 0.32643270715863726
Energy: 0.31743226763976284
Energy: 0.3299226376804793
Energy: 0.3226037582711531
Energy: 0.32263329239541383
Energy: 0.3252447091068364
Energy: 0.32216686948209766
Energy: 0.32351814387676836
Energy: 0.3292490354005525
Energy: 0.32422200099875503
Energy: 0.3230878190802499
Energy: 0.3220929680729906
Energy: 0.3220174998216164
Energy: 0.32353799788042964
Energy: 0.33035016726349076
Energy: 0.32402233285081816
Energy: 0.3236287237386381
Energy: 0.32544249971611156
Energy: 0.3249877112510912
Energy: 0.32315453102561775
Energy: 0.4730319733137285
Energy: 0.33797227787171774
Energy: 0.33851657311889444
Energy: 0.32910530657447185
Energy: 0.33768839978282655
Energy: 0.32440019774716083
Energy: 0.36210908161112476
Energy: 0.32408531456593026
Energy: 0.3230491041685385
Energy: 0.3244883637325716
Energy: 0.3247380665911514
Energy: 0.3230912245970889
Energy: 0.34117098645958693
Energy: 0.3382210353640656
Energy: 0.33799192144886986
Energy: 0.31735391421148823
Energy: 0.32357034713797406
Energy: 0.319041362162628
Energy: 0.36077919704177813
Energy: 0.3247416406964011
Energy: 0.32406844482747654
Energy: 0.32650791153045106
Energy: 0.32453696417136185
Energy: 0.32330596338224127
Energy: 0.3612660434424373
Energy: 0.32582006498005905
Energy: 0.3258580543593465
Energy: 0.3253696609565646
Energy: 0.3296433716024456
Energy: 0.3259195501490126
Energy: 0.36143595633094333
Energy: 0.322725700664419
Energy: 0.32338378766751585
Energy: 0.3252192164872765
Energy: 0.32397373350812075
Energy: 0.3241235910887374
Energy: 0.3607399178761431
Energy: 0.3165520389150262
Energy: 0.33011729521287153
Energy: 0.3292322318319392
Energy: 0.3187568763264406
Energy: 0.32903173677970826
Energy: 0.3326603869890655
Energy: 0.3347584937713677
Energy: 0.317006143398864
Energy: 0.3232116136891487
Energy: 0.31693478406663755
Energy: 0.3172264445787156
Energy: 0.332843621261786
Energy: 0.3290093928809466
Energy: 0.32994995441374037
Energy: 0.3254604725301247
Energy: 0.3290728022899955
Energy: 0.33010092864190094
Energy: 0.33214295265891514
Energy: 0.32302977397870763
Energy: 0.322681859811015
Energy: 0.32424967109475594
Energy: 0.3227681749265595
Energy: 0.32301353188632814
Energy: 0.3299182406363856
Energy: 0.3218674223810048
Energy: 0.32434278172361586
Energy: 0.3248811320066104
Energy: 0.3248918425247881
Energy: 0.3248058179866324
Energy: 0.3813225556507707
Energy: 0.3252590438243095
Energy: 0.3215538071066353
Energy: 0.31965953549017534
Energy: 0.3252946863595941
Energy: 0.3216136508096296

minimum gb energy = 0.3164600548745844 eV
minimum distance =  3.27864802861338 Angstroms
sigma value = 33


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

Energy: 0.41141051357858716
Energy: 0.3713565014591929
Energy: 0.36414720923481403
Energy: 0.3607965918837036
Energy: 0.36645968777428506
Energy: 0.3641520024806693
Energy: 0.3565228014663114
Energy: 0.34748835076742846
Energy: 0.3478202591271929
Energy: 0.3504299170329547
Energy: 0.3480144841521036
Energy: 0.3480310382212284
Energy: 0.35657602519776743
Energy: 0.3478520736521432
Energy: 0.347061542234886
Energy: 0.34727008888575595
Energy: 0.347515791504443
Energy: 0.3472617858517525
Energy: 0.3566403679339761
Energy: 0.3472459760942237
Energy: 0.347347266780312
Energy: 0.3466814940348349
Energy: 0.34711102608132993
Energy: 0.3472420424986089
Energy: 0.3559900554519636
Energy: 0.34830335387941014
Energy: 0.34551117885979776
Energy: 0.34930046489727035
Energy: 0.34920544574782847
Energy: 0.34845082632817703
Energy: 0.3555013812807717
Energy: 0.34799878277182233
Energy: 0.35044268781005333
Energy: 0.3490656361355809
Energy: 0.3492711433699954
Energy: 0.34796784240961576
Energy: 0.37587523254735705
Energy: 0.34518431397345056
Energy: 0.34805320523300065
Energy: 0.3507935054651578
Energy: 0.3447141148167374
Energy: 0.3471181571002123
Energy: 0.3713088667312624
Energy: 0.3713076441104517
Energy: 0.35955480743729623
Energy: 0.34143645761888347
Energy: 0.360661170597067
Energy: 0.36027490168105547
Energy: 0.3758845841078094
Energy: 0.3455360376776982
Energy: 0.345126465580964
Energy: 0.3590944814463239
Energy: 0.3423949181542294
Energy: 0.34531016373562795
Energy: 0.3987644327335489
Energy: 0.34719578418621533
Energy: 0.347067076230929
Energy: 0.34745148301565426
Energy: 0.3468866081140449
Energy: 0.3469512781086909
Energy: 0.3763529007942718
Energy: 0.34811028486929757
Energy: 0.347273347327321
Energy: 0.347257913473218
Energy: 0.34594143753934214
Energy: 0.34713157866098693
Energy: 0.37623237439649354
Energy: 0.3405650295267617
Energy: 0.3402909063710958
Energy: 0.3506855959129425
Energy: 0.3404603713522615
Energy: 0.3405163436286671
Energy: 0.38259219113824416
Energy: 0.3402744706708007
Energy: 0.3405283028455412
Energy: 0.3456074678779335
Energy: 0.34050478402382844
Energy: 0.3405803367279878
Energy: 0.356327396714723
Energy: 0.3477990306104919
Energy: 0.34753320041271063
Energy: 0.34651329665337904
Energy: 0.346563138403222
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Energy: 0.34036250389590494
Energy: 0.34674428069098373
Energy: 0.3467793656921722
Energy: 0.34770758004651797
Energy: 0.3469951808697116
Energy: 0.3467312647651699
Energy: 0.35791819970689026
Energy: 0.3483952030548655
Energy: 0.3486261781927449
Energy: 0.3500044646581427
Energy: 0.350164548849668
Energy: 0.3475244545161406
Energy: 0.3994660604021276
Energy: 0.34571527858430984
Energy: 0.3491004791102759
Energy: 0.34927227307471453
Energy: 0.3434070219270659
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Energy: 0.3768877337138237
Energy: 0.34299328540166957
Energy: 0.34663400044724857
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Energy: 0.34396237508416744
Energy: 0.34561747571441603
Energy: 0.3570625021326723
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Energy: 0.34076213873943995
Energy: 0.343319216999417
Energy: 0.34152588199947004
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Energy: 0.34324942970517147
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Energy: 0.34032374487114586
Energy: 0.34314059252933476
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Energy: 0.34511435368568566
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Energy: 0.3450589981617099
Energy: 0.3609984957297321
Energy: 0.34691807257646234
Energy: 0.3469636838816209
Energy: 0.3469145468984515
Energy: 0.3471589526197092
Energy: 0.3468760418180042
Energy: 0.35693653182041535
Energy: 0.34822126296842615
Energy: 0.34806413936434055
Energy: 0.35196883142379304
Energy: 0.347602904288886
Energy: 0.34523050033236624
Energy: 0.37723088862093096
Energy: 0.3450701434252652
Energy: 0.3413465586059505
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Energy: 0.3434401125883414
Energy: 0.34092397895052784
Energy: 0.371635049222249
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Energy: 0.34861637943189955
Energy: 0.3535198666360568
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Energy: 0.34865408587063956
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Energy: 0.3477332762327466
Energy: 0.34724344415484054
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Energy: 0.34765021998502704
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Energy: 0.34109244920790105
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Energy: 0.3457718259606674
Energy: 0.3407486449110804
Energy: 0.34035530781208956
Energy: 0.3421961632262783
Energy: 0.34658991583102605
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Energy: 0.3423510655163793
Energy: 0.34604791452821265
Energy: 0.34555547355792704
Energy: 0.38841659625455444
Energy: 0.34695524374359205
Energy: 0.3694784187458364
Energy: 0.3714205384822945
Energy: 0.3470199350976837
Energy: 0.36959186140054073
Energy: 0.35721013802278967
Energy: 0.3503611831250411
Energy: 0.34860922967302066
Energy: 0.34494929577443884
Energy: 0.34732268542635053
Energy: 0.3484867252928654
Energy: 0.4232390670336278
Energy: 0.3453301057092746
Energy: 0.34084754680962714
Energy: 0.3402051050276627
Energy: 0.34541849560283466
Energy: 0.3405267913881636

minimum gb energy = 0.3400647452511176 eV
minimum distance =  3.29188402317341 Angstroms
sigma value = 67


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

Energy: 0.5569158010727594
Energy: 0.3863217055533883
Energy: 0.39729121979263105
Energy: 0.396025863423421
Energy: 0.3862745043568245
Energy: 0.39729521399762174
Energy: 0.395053722373898
Energy: 0.37706707958476293
Energy: 0.3773963894862052
Energy: 0.3769459844292552
Energy: 0.37723133883107807
Energy: 0.3768132309143474
Energy: 0.3826778084979377
Energy: 0.3586106470502097
Energy: 0.3689388574461542
Energy: 0.3688577584800392
Energy: 0.35875621077428316
Energy: 0.3687146641209299
Energy: 0.3824641001925335
Energy: 0.36908307240151234
Energy: 0.3691408261197671
Energy: 0.37045645564013213
Energy: 0.36876614585215156
Energy: 0.36980033543497387
Energy: 0.3943302164206913
Energy: 0.37743587511466914
Energy: 0.3774514668570383
Energy: 0.3800718905023791
Energy: 0.37734576221998295
Energy: 0.3776509186667848
Energy: 0.3948511750996739
Energy: 0.3753349136315061
Energy: 0.37867483559471105
Energy: 0.37777631015836327
Energy: 0.37555996277488884
Energy: 0.3789559499348129
Energy: 0.4055507090375112
Energy: 0.3783729217245129
Energy: 0.37714073112694874
Energy: 0.3578085929807105
Energy: 0.3771912486330963
Energy: 0.3778592337427906

minimum gb energy = 0.3578085929807105 eV
minimum distance =  3.32247874679803 Angstroms
sigma value = 3


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

Energy: 0.5548274420850521
Energy: 0.44425949961546196
Energy: 0.39603535696589837
Energy: 0.4363314679560511
Energy: 0.4070250549121337
Energy: 0.42137209506311735
Energy: 0.45731257939167597
Energy: 0.43653518184439477
Energy: 0.4343106366034107
Energy: 0.4134614192395928
Energy: 0.41693125672781894
Energy: 0.4146612455299044
Energy: 0.48153611219094167
Energy: 0.4346824364761722
Energy: 0.4383239436471932
Energy: 0.44213973229093745
Energy: 0.43505648387254775
Energy: 0.45491270879886
Energy: 0.456659534961125
Energy: 0.4172565010225583
Energy: 0.41602243881311435
Energy: 0.4130816737974373
Energy: 0.43285437510262903
Energy: 0.4155399876459601
Energy: 0.4560876385068505
Energy: 0.4067248115556102
Energy: 0.4510882577052634
Energy: 0.40689296989017687
Energy: 0.40494049546534294
Energy: 0.406560456156315
Energy: 0.4544194244991362
Energy: 0.4095675289765289
Energy: 0.40673800048703673
Energy: 0.40709231872248564
Energy: 0.4055447073217439
Energy: 0.40725313026634663
Energy: 0.45666161846709924
Energy: 0.40620833791372724
Energy: 0.4060232594304648
Energy: 0.44767618069437315
Energy: 0.40480171359447614
Energy: 0.4123744776023322
Energy: 0.5409857639352537
Energy: 0.4747503046286886
Energy: 0.4651670121874163
Energy: 0.4499815177567902
Energy: 0.4773368119209653
Energy: 0.465433128735641
Energy: 0.4566121199273067
Energy: 0.44764333203134143
Energy: 0.46845831094330526
Energy: 0.4484741683813331
Energy: 0.44827562045406066
Energy: 0.46815046543204375
Energy: 0.4754695250548822
Energy: 0.46578880004758405
Energy: 0.4655372609290527
Energy: 0.47584603553435
Energy: 0.4613352335084037
Energy: 0.4445748564390825
Energy: 0.46261202507378857
Energy: 0.42482738793997027
Energy: 0.4356156742351188
Energy: 0.4673741906012905
Energy: 0.42694039315695087
Energy: 0.4507127885420154
Energy: 0.4730025377860759
Energy: 0.44766122260933094
Energy: 0.4511751768306634
Energy: 0.4565151501486235
Energy: 0.4488297714949995
Energy: 0.4512261276695872
Energy: 0.4400225456010963
Energy: 0.450047643706291
Energy: 0.449307684759978
Energy: 0.42160309878761737
Energy: 0.4513281740755273
Energy: 0.45121954693906474
Energy: 0.4791828021813552
Energy: 0.4633029088615997
Energy: 0.4578156387299995
Energy: 0.4632289393564218
Energy: 0.4624651914984357
Energy: 0.45641818103785586
Energy: 0.4830467958601842
Energy: 0.4826015574360656
Energy: 0.4710942004167685
Energy: 0.44099896633384067
Energy: 0.4726340590040553
Energy: 0.47653284855020495
Energy: 0.5052273289193526
Energy: 0.46978782502965094
Energy: 0.47001945140065426
Energy: 0.46648815257293336
Energy: 0.46395052655289204
Energy: 0.47012908505034867
Energy: 0.5071400241628758
Energy: 0.46391984703605343
Energy: 0.4561511325857701
Energy: 0.46221048805993703
Energy: 0.4643304903099023
Energy: 0.4525628615975684
Energy: 0.5110328839219003
Energy: 0.451258400740666
Energy: 0.48488271639029895
Energy: 0.4667184486431045
Energy: 0.46163348321302633
Energy: 0.4712082701246397
Energy: 0.486875313662571
Energy: 0.4642595466760015
Energy: 0.46453446376023344
Energy: 0.45163461347845996
Energy: 0.46745596326358646
Energy: 0.4542542299322446
Energy: 0.46896439476145196
Energy: 0.47444974408653207
Energy: 0.47489471271949835
Energy: 0.4543533355257257
Energy: 0.47564613022314606
Energy: 0.45435088076939445
Energy: 0.460008338135958
Energy: 0.44731526323566084
Energy: 0.44761104187467726
Energy: 0.4454342411870205
Energy: 0.44819509369610894
Energy: 0.44475646127293816
Energy: 0.4590762701033165
Energy: 0.4432040035558985
Energy: 0.44447760508868034
Energy: 0.44481468493714005
Energy: 0.4427474330072274
Energy: 0.4412404695136965
Energy: 0.4596378527292589
Energy: 0.44461488462490106
Energy: 0.44856059260086706
Energy: 0.4441656099495659
Energy: 0.4441137861064176
Energy: 0.4471995178435824
Energy: 0.4671823584433992
Energy: 0.44882565403488345
Energy: 0.4491772903766754
Energy: 0.46698847498023893
Energy: 0.44855199206542407
Energy: 0.4868998578580161
Energy: 0.4716628582542854
Energy: 0.46809021894925235
Energy: 0.46795518700595967
Energy: 0.46374760338416326
Energy: 0.4810153086115577
Energy: 0.4672694643367941
Energy: 0.4830846527406951
Energy: 0.4811939159798039
Energy: 0.4099565979247299
Energy: 0.41629713166058274
Energy: 0.4814763063771853
Energy: 0.41358389267523643
Energy: 0.40871310170942426
Energy: 0.4810066328011184
Energy: 0.4195740063231717
Energy: 0.4139380758496996
Energy: 0.4812311582826755
Energy: 0.420405299478246
Energy: 0.4717420535052554
Energy: 0.4657263552408886
Energy: 0.46539844055471546
Energy: 0.4675490137134141
Energy: 0.4777223214667794
Energy: 0.4678756989965609
Energy: 0.46705864920899065
Energy: 0.43115769512022245
Energy: 0.4320160338597751
Energy: 0.4673100080377605
Energy: 0.43150210431513897
Energy: 0.467669453575624
Energy: 0.482294884933615
Energy: 0.4558790017719649
Energy: 0.4524144843487157
Energy: 0.48145682964320197
Energy: 0.487547216180863
Energy: 0.4541466145457403
Energy: 0.4718858292699004
Energy: 0.4623369591219325
Energy: 0.46368319138848124
Energy: 0.46254246679561123
Energy: 0.47367009417430705
Energy: 0.46348695228570347
Energy: 0.4581679893035877
Energy: 0.45312226716571585
Energy: 0.45360669658626607
Energy: 0.44919648565117365
Energy: 0.4533825404610978
Energy: 0.4531258189247116
Energy: 0.48947384409648487
Energy: 0.4731205874929867
Energy: 0.4690183284142989
Energy: 0.44559021024573625
Energy: 0.4775616279269373
Energy: 0.443025133728711
Energy: 0.47349447424959074
Energy: 0.47083905068550647
Energy: 0.44787273806788547
Energy: 0.4508120671281572
Energy: 0.474253094161153
Energy: 0.45348636503089984
Energy: 0.45760844514975324
Energy: 0.44262108368260256
Energy: 0.4446055553397269
Energy: 0.4498894961603825
Energy: 0.43863142741054445
Energy: 0.45334382775343846
Energy: 0.47766102038300334
Energy: 0.4568728381861947
Energy: 0.46580144139949553
Energy: 0.45988107785846355
Energy: 0.46472822026929833
Energy: 0.43389806580561163
Energy: 0.47296823596105475
Energy: 0.45102255695101434
Energy: 0.450050433279802
Energy: 0.450837975144775
Energy: 0.4482124671185298
Energy: 0.45084142730192484
Energy: 0.43985744813911476
Energy: 0.4516765745187852
Energy: 0.4512275340455996
Energy: 0.4196463989878342
Energy: 0.4498938119008492
Energy: 0.4986292848139704
Energy: 0.4619991378872037
Energy: 0.4542699774888539
Energy: 0.45043264191664084
Energy: 0.4481990663375646
Energy: 0.4546801268828885
Energy: 0.4518206917531251
Energy: 0.4548243901503259
Energy: 0.4740761247267562
Energy: 0.4755934236180821
Energy: 0.42874448722602626
Energy: 0.4762741087960031
Energy: 0.46701321446327354
Energy: 0.5075182553732519
Energy: 0.4666482016083164
Energy: 0.47189359965293626
Energy: 0.47125167209262575
Energy: 0.46312693765606616
Energy: 0.4755591020867562
Energy: 0.4961790400784793
Energy: 0.43219990197268293
Energy: 0.42919521698013824
Energy: 0.4855351634744757
Energy: 0.45471107360894436
Energy: 0.48174520696590895
Energy: 0.5411141578961235
Energy: 0.44468745557028955
Energy: 0.4439052938154978
Energy: 0.4810241391168101
Energy: 0.44459215903021637
Energy: 0.44942161904167566
Energy: 0.5077349804693622
Energy: 0.46619625780238055
Energy: 0.47033956068449184
Energy: 0.42653341701804925
Energy: 0.46332741737846267
Energy: 0.4704205110436377
Energy: 0.5200937627546085
Energy: 0.4168464349866191
Energy: 0.4632585988267414
Energy: 0.4748225843294849
Energy: 0.4185235560037322
Energy: 0.45830593239544176
Energy: 0.4583083790414062
Energy: 0.39784798210829186
Energy: 0.39971561973981007
Energy: 0.3994768429668231
Energy: 0.40104568854605316
Energy: 0.4027166493895732
Energy: 0.4571551845395147
Energy: 0.3983560615528252
Energy: 0.39787371833093504
Energy: 0.44340550677237517
Energy: 0.39820221889154195
Energy: 0.39855668245032383
Energy: 0.45777502065325737
Energy: 0.39956980078960463
Energy: 0.4449014643669225
Energy: 0.4007824824508441
Energy: 0.39851052759364025
Energy: 0.40595613773470257
Energy: 0.47005024179521615
Energy: 0.44522009416796066
Energy: 0.4143437267173443
Energy: 0.4302382664680711
Energy: 0.44640985188249477
Energy: 0.42588634387846674
Energy: 0.46932623173515287
Energy: 0.44656701064598525
Energy: 0.44358021612074516
Energy: 0.4318620789213566
Energy: 0.44503635919984436
Energy: 0.4580492351839775
Energy: 0.4318858664025609
Energy: 0.43224631167402977
Energy: 0.4315180918537845
Energy: 0.40765336947800457
Energy: 0.41839524670045997
Energy: 0.4143492111553127

minimum gb energy = 0.39603535696589837 eV
minimum distance =  3.26054183810341 Angstroms
sigma value = 81


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

Energy: 0.8508192965268135
Energy: 0.4465696771631864
Energy: 0.41632924820107087
Energy: 0.41495954215814324
Energy: 0.4464371952009585
Energy: 0.4468446523492558
Energy: 0.4690954104239968
Energy: 0.4097161853545896
Energy: 0.4053675972187115
Energy: 0.406375348770963
Energy: 0.4182494849158926
Energy: 0.41646917124432664
Energy: 0.4695544970252408
Energy: 0.4217074858092522
Energy: 0.4213074340040413
Energy: 0.40438757689499155
Energy: 0.4209013493678129
Energy: 0.46814289322677
Energy: 0.47838611706099
Energy: 0.4215157166422215
Energy: 0.41664156091428206
Energy: 0.4339998532772376
Energy: 0.4204317803158987
Energy: 0.3898158964051643
Energy: 0.4871294413186854
Energy: 0.4179496021564509
Energy: 0.4191424343911975
Energy: 0.42286779568304733
Energy: 0.4215167766379166
Energy: 0.42054765899068386
Energy: 0.4484174147522274
Energy: 0.42140452125540273
Energy: 0.42134106673719
Energy: 0.4246569106770174
Energy: 0.4209580006111125
Energy: 0.4222811333950777
Energy: 0.5267197064441256
Energy: 0.4856781612824844
Energy: 0.48656349129827653
Energy: 0.4336135374913021
Energy: 0.4017304684549728
Energy: 0.4856902434265429
Energy: 0.5340959072987637
Energy: 0.49753168565485506
Energy: 0.4949422726325464
Energy: 0.4494962343443877
Energy: 0.5139101039261446
Energy: 0.48635522935769054
Energy: 0.48782051645094476
Energy: 0.49623988569115857
Energy: 0.4968172192534222
Energy: 0.48053276087543007
Energy: 0.4555366227356703
Energy: 0.4853871350245738
Energy: 0.49456700700625755
Energy: 0.4525848335932162
Energy: 0.4524428618274315
Energy: 0.4801599393441674
Energy: 0.4523142229346189
Energy: 0.45238029893796544
Energy: 0.48819700636614627
Energy: 0.4064071752736998
Energy: 0.4064673467947585
Energy: 0.4781992862039361
Energy: 0.4075103532449332
Energy: 0.4643008651576424
Energy: 0.43713453827289467
Energy: 0.4588130182146096
Energy: 0.4560731097853095
Energy: 0.4182058637358828
Energy: 0.45515098947166754
Energy: 0.45642920386294417
Energy: 0.4377410006514768
Energy: 0.45466990956472797
Energy: 0.45490686318709755
Energy: 0.4213490026076115
Energy: 0.46137761670575506
Energy: 0.4208379220882111
Energy: 0.4931017878807496
Energy: 0.46923858355212067
Energy: 0.46190662621490297
Energy: 0.46383064116476597
Energy: 0.4695151593927296
Energy: 0.4643885080874704
Energy: 0.5171888455901396
Energy: 0.4967286130846441
Energy: 0.4819361424217078
Energy: 0.4829944689284486
Energy: 0.4849045514490897
Energy: 0.4834154963953071
Energy: 0.4929780165462669
Energy: 0.48294920080601894
Energy: 0.48204790546448695
Energy: 0.4616535142459378
Energy: 0.49357580741112195
Energy: 0.48181320017736423
Energy: 0.5149962401045137
Energy: 0.45061241376861094
Energy: 0.45060941437207536
Energy: 0.5238992817545183
Energy: 0.45033110967535095
Energy: 0.4474641285989342
Energy: 0.5403544996790359
Energy: 0.49413511593914383
Energy: 0.4911061107337806
Energy: 0.4904871006540264
Energy: 0.49299662325910987
Energy: 0.49078341152925564
Energy: 0.4653650370231931
Energy: 0.47606091974422615
Energy: 0.417824296219317
Energy: 0.4204996929692969
Energy: 0.4757670907319386
Energy: 0.41801933839798144
Energy: 0.4659395808758019
Energy: 0.475690799855729
Energy: 0.4176091606209312
Energy: 0.41742021284123154
Energy: 0.47574958759427505
Energy: 0.41841409474031577
Energy: 0.4690658604442728
Energy: 0.45298806854692475
Energy: 0.4541557628344635
Energy: 0.45319065064604697
Energy: 0.4656365586753021
Energy: 0.45380867484395676
Energy: 0.47342906517626065
Energy: 0.42202965846505186
Energy: 0.42247017007687515
Energy: 0.46805683341278975
Energy: 0.42156851580821025
Energy: 0.43125096740025753
Energy: 0.48702521142140515
Energy: 0.45974826014399917
Energy: 0.46178330232047127
Energy: 0.4759554111434495
Energy: 0.4631767745713345
Energy: 0.46261668552116103
Energy: 0.49506847876694177
Energy: 0.4829406071697373
Energy: 0.482535527095071
Energy: 0.48711332356148856
Energy: 0.48170405573209263
Energy: 0.5090240412759908
Energy: 0.48956485266322497
Energy: 0.48157766844231037
Energy: 0.48213428323281027
Energy: 0.4810383034179701
Energy: 0.48161718833263417
Energy: 0.48122000347155874
Energy: 0.481239899336633
Energy: 0.48710605470762897
Energy: 0.4871086431369074
Energy: 0.4496266738221014
Energy: 0.49144949530041176
Energy: 0.4920118017187558
Energy: 0.4815631492089156
Energy: 0.49376351610581526
Energy: 0.48949612692024785
Energy: 0.448216890073167
Energy: 0.493969717294143
Energy: 0.4919149863146476
Energy: 0.5068125041450655
Energy: 0.43860711983064654
Energy: 0.4819873156417797
Energy: 0.4939242070622523
Energy: 0.43837875712451696
Energy: 0.481708685964128
Energy: 0.4952377594193457
Energy: 0.4520819321881552
Energy: 0.45219380283132654
Energy: 0.4818015891682272
Energy: 0.45220180242329444
Energy: 0.4589719342873483
Energy: 0.47478857331071633
Energy: 0.45913367502437097
Energy: 0.4585236820080959
Energy: 0.4669052814054941
Energy: 0.4549892863206732
Energy: 0.4613935841125517
Energy: 0.4338225294850508
Energy: 0.45535192600409546
Energy: 0.45579014879943075
Energy: 0.42196935451722484
Energy: 0.469010086910273
Energy: 0.4210047052964134
Energy: 0.5005894680852877
Energy: 0.46395185179839976
Energy: 0.4598710952215649
Energy: 0.4645594825423949
Energy: 0.41613101793811624
Energy: 0.4588325273771656
Energy: 0.5182977402682023
Energy: 0.417545567705616
Energy: 0.4178699687524181
Energy: 0.4175168562459064
Energy: 0.41383899400204793
Energy: 0.41346465617099604
Energy: 0.5179227885070244
Energy: 0.41804775491330654
Energy: 0.4173709695732429
Energy: 0.4241043882416644
Energy: 0.4194703374114156
Energy: 0.4240951938286114
Energy: 0.5178599419873394
Energy: 0.4443341656469031
Energy: 0.4176544208115924
Energy: 0.4593012809087691
Energy: 0.44870650505141546
Energy: 0.4460980441927058
Energy: 0.5257776852815758
Energy: 0.4504797447352948
Energy: 0.45056358343025227
Energy: 0.4473269747001717
Energy: 0.45010119994377146
Energy: 0.5032525821341075
Energy: 0.46945770347338817
Energy: 0.4245565956774012
Energy: 0.432773139272941
Energy: 0.4091663203836144
Energy: 0.42395477971604933
Energy: 0.4418291759305192
Energy: 0.4977266940216234
Energy: 0.42250453873633026
Energy: 0.42081771871359397
Energy: 0.41782238079031014
Energy: 0.42232625393811857
Energy: 0.4546015313064011

minimum gb energy = 0.3898158964051643 eV
minimum distance =  3.25707709294701 Angstroms
sigma value = 43


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

Energy: 0.5708993814363672
Energy: 0.4172392458165093
Energy: 0.39850149516948885
Energy: 0.40414781929150306
Energy: 0.44894855229086295
Energy: 0.40547375653238565
Energy: 0.42014499661410754
Energy: 0.39457563588649297
Energy: 0.383167179553953
Energy: 0.41889456893218
Energy: 0.39091707487531946
Energy: 0.40640160751938353
Energy: 0.4248978793498954
Energy: 0.41073663598495086
Energy: 0.4104122083185964
Energy: 0.43335293087865306
Energy: 0.4110080767293631
Energy: 0.42173183575242307
Energy: 0.4309556738315178
Energy: 0.4108198700902596
Energy: 0.4066658821846323
Energy: 0.43106337841936915
Energy: 0.4102687318293437
Energy: 0.4068322681844216
Energy: 0.39214999858955785
Energy: 0.38156922440154245
Energy: 0.3815265491746075
Energy: 0.3810588007642604
Energy: 0.3815026709028628
Energy: 0.3817781406907893
Energy: 0.3906298449222668
Energy: 0.38175463957079
Energy: 0.3817313610874165
Energy: 0.38154370090871687
Energy: 0.381802559399546
Energy: 0.3818785203214388
Energy: 0.38954198876824775
Energy: 0.3814469935244295
Energy: 0.38219638121569965
Energy: 0.38212759795311146
Energy: 0.38937754113225653
Energy: 0.3820876909936073
Energy: 0.4325649078463745
Energy: 0.42421248212148177
Energy: 0.42377234485472487
Energy: 0.4045837208642464
Energy: 0.424324964706957
Energy: 0.4243467970039906
Energy: 0.3905833025859934
Energy: 0.42343924885912976
Energy: 0.42332987320667664
Energy: 0.3905337786988341
Energy: 0.4211635079562541
Energy: 0.40559317710093457
Energy: 0.4781305701603205
Energy: 0.42571560123916335
Energy: 0.4272371615664455
Energy: 0.4303942876790683
Energy: 0.4376696556112801
Energy: 0.4332319683486975
Energy: 0.390058503296292
Energy: 0.4394025945616702
Energy: 0.43926432713917357
Energy: 0.3902991360052779
Energy: 0.3969658984547627
Energy: 0.39112455495166865
Energy: 0.44657560754210257
Energy: 0.4235807590121216
Energy: 0.4185491760701018
Energy: 0.3822261084072321
Energy: 0.42102820307199545
Energy: 0.4197447577345974
Energy: 0.4470268872577347
Energy: 0.4242246767542226
Energy: 0.43038708082956917
Energy: 0.4121384766453553
Energy: 0.42444566605081757
Energy: 0.4329721527720796
Energy: 0.39114711556573023
Energy: 0.3903672326827765
Energy: 0.39028250756274213
Energy: 0.39019296092013933
Energy: 0.39031889215442234
Energy: 0.39043106011323153
Energy: 0.39105336662426526
Energy: 0.4096770593450704
Energy: 0.39005632080183633
Energy: 0.3922286231569019
Energy: 0.3823284616014197
Energy: 0.3901621843268275
Energy: 0.38974375710105186
Energy: 0.3819730381687588
Energy: 0.419657690279133
Energy: 0.38973472466827613
Energy: 0.3821196917242122
Energy: 0.3922674567032966
Energy: 0.4038578359780651
Energy: 0.4026913797445628
Energy: 0.40273713097944064
Energy: 0.4027330747257324
Energy: 0.3944490307028372
Energy: 0.4021669439512632
Energy: 0.40325738495916436
Energy: 0.40297914791864947
Energy: 0.4027425532316165
Energy: 0.4032818355953158
Energy: 0.40347346949224344
Energy: 0.40206932916879906
Energy: 0.467484720483124
Energy: 0.4028965108754137
Energy: 0.40257031507776125
Energy: 0.4163261326450529
Energy: 0.40315712592503133
Energy: 0.42310424961898213
Energy: 0.4675528043506326
Energy: 0.40236691778732464
Energy: 0.4028008491354678
Energy: 0.42561749802038173
Energy: 0.40276536343505687
Energy: 0.42308044598110317
Energy: 0.40353721185058106
Energy: 0.40197086019670303
Energy: 0.4023285656359439
Energy: 0.4028934683072028
Energy: 0.39619773901995536
Energy: 0.4021361118014859
Energy: 0.4298252548486245
Energy: 0.43682447681776815
Energy: 0.4481523848316198
Energy: 0.4296399929878544
Energy: 0.4173486603956287
Energy: 0.4428260568222654
Energy: 0.4493648485455479
Energy: 0.4030010124219065
Energy: 0.40300242529830443
Energy: 0.4227648348060515
Energy: 0.4023371725740579
Energy: 0.40839300936222067
Energy: 0.4167386847989502
Energy: 0.40241457159591065
Energy: 0.40182682064643993
Energy: 0.3946739933299012
Energy: 0.42028783652776397
Energy: 0.40204304552133624
Energy: 0.4002453158171234
Energy: 0.4035113287784062
Energy: 0.4035262180168002
Energy: 0.41161434706862027
Energy: 0.41517120492015636
Energy: 0.4025076092350724
Energy: 0.4056318194647199
Energy: 0.39207911844458865
Energy: 0.39115231405709794
Energy: 0.3895624629277919
Energy: 0.39240590763402317
Energy: 0.3928146691668456
Energy: 0.4059333238140374
Energy: 0.39009808472453433
Energy: 0.39144841509633643
Energy: 0.3912853055721707
Energy: 0.3911144050763099
Energy: 0.3914764818830388
Energy: 0.4051299192775375
Energy: 0.3905760836195623
Energy: 0.38978929689463715
Energy: 0.3894910475330221
Energy: 0.3909601168710153
Energy: 0.39057236443480847
Energy: 0.4277867570273297
Energy: 0.4237955090781333
Energy: 0.43396237502643126
Energy: 0.4280557589727909
Energy: 0.41184498943835324
Energy: 0.43250645114352215
Energy: 0.42058280437008333
Energy: 0.39145996407670847
Energy: 0.39009356079466534
Energy: 0.420515058406189
Energy: 0.3910416263754701
Energy: 0.4018468311775894
Energy: 0.48483033774990514
Energy: 0.4024975160470763
Energy: 0.4413517943383066
Energy: 0.4398852168283628
Energy: 0.40566383312900106
Energy: 0.41318964913228057

minimum gb energy = 0.3810588007642604 eV
minimum distance =  3.26120798865211 Angstroms
sigma value = 57


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

Energy: 0.5038560560529997
Energy: 0.4346001575179873
Energy: 0.47707921378741974
Energy: 0.3905117596232458
Energy: 0.43465302972665193
Energy: 0.47673752510608763
Energy: 0.4176749835180267
Energy: 0.3739991672861041
Energy: 0.3745545463272412
Energy: 0.41507609832498027
Energy: 0.3729692090978362
Energy: 0.37457112242604357
Energy: 0.41614466602726624
Energy: 0.3721485808565091
Energy: 0.3721959451404033
Energy: 0.3944618864193383
Energy: 0.37302710060683714
Energy: 0.3732575389141213
Energy: 0.41533146382875225
Energy: 0.37728592125522914
Energy: 0.3772367930511443
Energy: 0.41539389001613936
Energy: 0.37426375389186206
Energy: 0.3745532930351629
Energy: 0.3816364404776105
Energy: 0.3734027968170597
Energy: 0.3730899895513977
Energy: 0.3737071784422797
Energy: 0.3734809879070184
Energy: 0.372834357724286
Energy: 0.3774346675386196
Energy: 0.3739476926142196
Energy: 0.3751357241645699
Energy: 0.3724897170433389
Energy: 0.3731251526300427
Energy: 0.3729564266542344
Energy: 0.4277169699959197
Energy: 0.37406995125983955
Energy: 0.37423398993883583
Energy: 0.373973320230402
Energy: 0.41599052876193804
Energy: 0.38034829044835894
Energy: 0.38792188291903434
Energy: 0.41559057313344955
Energy: 0.4168355945828053
Energy: 0.38132249297435916
Energy: 0.39467013830285375
Energy: 0.3855428883173802
Energy: 0.427283626678742
Energy: 0.4165310485844524
Energy: 0.3761565962288643
Energy: 0.42852661488563754
Energy: 0.4038583508476464
Energy: 0.37441027724152237
Energy: 0.43395466733784727
Energy: 0.39166038339130416
Energy: 0.4055449824422793
Energy: 0.4003212044642849
Energy: 0.39681158605299727
Energy: 0.3966903405822645
Energy: 0.4151915094865692
Energy: 0.38075284353763694
Energy: 0.3799698909893296
Energy: 0.40398582999785737
Energy: 0.38767101083809635
Energy: 0.41299893616649397
Energy: 0.3718160556118818
Energy: 0.4165857977058129
Energy: 0.4168843139187806
Energy: 0.3718430043394501
Energy: 0.3751402573278334
Energy: 0.4244222770613551
Energy: 0.3722181856218348
Energy: 0.3895843629560305
Energy: 0.38965060646507776
Energy: 0.3732726449591606
Energy: 0.40332429107438034
Energy: 0.4454592986082074
Energy: 0.4152038035052914
Energy: 0.3737845746200966
Energy: 0.3746546885819953
Energy: 0.4049272324641151
Energy: 0.37323796654631475
Energy: 0.3744019019527902
Energy: 0.41565264686517045
Energy: 0.3781403174190326
Energy: 0.38106836603404154
Energy: 0.3957091692994833
Energy: 0.3743446036480469
Energy: 0.3813054349165619
Energy: 0.41603055793095045
Energy: 0.3735019978698117
Energy: 0.3743958872932861
Energy: 0.4160841626442591
Energy: 0.3797079740202763
Energy: 0.376633903888094
Energy: 0.3824001024377593
Energy: 0.3725903538520912
Energy: 0.3724222234710153
Energy: 0.3748635748188135
Energy: 0.3729196217016152
Energy: 0.3732540923239956
Energy: 0.38211540374321173
Energy: 0.37156342043942403
Energy: 0.37240769911473115
Energy: 0.3737669904881555
Energy: 0.37231558861861486
Energy: 0.3727296600385795
Energy: 0.42801208734498175
Energy: 0.38990488370498655
Energy: 0.3766717694893898
Energy: 0.3735742274875939
Energy: 0.4157174889360209
Energy: 0.3764922094031553
Energy: 0.4280306216812078
Energy: 0.3944213563188782
Energy: 0.4144520007276698
Energy: 0.37700816337841203
Energy: 0.39416209427016025
Energy: 0.41611707252174057
Energy: 0.42732684350453504
Energy: 0.3743715866538674
Energy: 0.3742076844648505
Energy: 0.37407101416125815
Energy: 0.4050184897099241
Energy: 0.3740663160341009
Energy: 0.46366180869403156
Energy: 0.4145922279480788
Energy: 0.38415458266190194
Energy: 0.40505709746310514
Energy: 0.3967131789388535
Energy: 0.38404144633212833
Energy: 0.4152488207666071
Energy: 0.4158527660976022
Energy: 0.3764157391251013
Energy: 0.3984482829728796
Energy: 0.4051024226799087
Energy: 0.3748205014994556
Energy: 0.37208919797126816
Energy: 0.3942828820822212
Energy: 0.38828429916081497
Energy: 0.37337595746280666
Energy: 0.4033882438355237
Energy: 0.44462580057723367

minimum gb energy = 0.37156342043942403 eV
minimum distance =  3.20942163960787 Angstroms
sigma value = 17


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

Energy: 0.5252552155708974
Energy: 0.42777300182254835
Energy: 0.44738295827222857
Energy: 0.3748058437453345
Energy: 0.40433698370569604
Energy: 0.36062381819267214
Energy: 0.45383359691288894
Energy: 0.408036382573161
Energy: 0.36384872966958115
Energy: 0.4290552466550061
Energy: 0.408054660270472
Energy: 0.36330990327309565
Energy: 0.382361773377653
Energy: 0.3522941893772031
Energy: 0.3522195076086659
Energy: 0.40149463460350665
Energy: 0.3525022739694886
Energy: 0.3523034925723302
Energy: 0.4273845010598498
Energy: 0.3525057329412077
Energy: 0.3522414763404853
Energy: 0.4275527854077291
Energy: 0.35139629897183944
Energy: 0.36413889814292966
Energy: 0.43510377305688824
Energy: 0.3417634855554779
Energy: 0.34183739991025797
Energy: 0.43507200001488416
Energy: 0.34165858033862373
Energy: 0.34196266674012954
Energy: 0.37584650957786514
Energy: 0.3451368436716274
Energy: 0.34522174166728636
Energy: 0.3334297514152797
Energy: 0.34094948451538326
Energy: 0.3325692594950818
Energy: 0.3632024444926883
Energy: 0.3941865913501646
Energy: 0.3335369423900636
Energy: 0.33486106709062063
Energy: 0.3944121405210622
Energy: 0.33307482967442803
Energy: 0.3631167618917853
Energy: 0.333695787373693
Energy: 0.33388071158220006
Energy: 0.33348074247717696
Energy: 0.3342500816890664
Energy: 0.3340910061038986
Energy: 0.394342267221753
Energy: 0.33284381914678357
Energy: 0.3327594814700916
Energy: 0.3943380560598645
Energy: 0.3329158372472625
Energy: 0.33274333188351685
Energy: 0.39375091260127715
Energy: 0.34535057585826023
Energy: 0.3454180543276181
Energy: 0.36283627300501986
Energy: 0.34522128022316845
Energy: 0.3453485427911698
Energy: 0.3503512505624098
Energy: 0.34215363619314865
Energy: 0.3419690347459523
Energy: 0.3419905015507118
Energy: 0.34148640727644575
Energy: 0.3417551579275238
Energy: 0.43656944006422316
Energy: 0.4285565389638323
Energy: 0.40718046013685183
Energy: 0.34464271243239974
Energy: 0.4273595087067319
Energy: 0.36422914308369886
Energy: 0.435047719088459
Energy: 0.4014005361461869
Energy: 0.387093413875678
Energy: 0.3445410957637692
Energy: 0.42046048184959384
Energy: 0.3873059729948729
Energy: 0.4489650229913568
Energy: 0.42042101969299
Energy: 0.35586479124189796
Energy: 0.4285855398639281
Energy: 0.4296499240948622
Energy: 0.35591075867342287
Energy: 0.4011213089574134
Energy: 0.40494797462749665
Energy: 0.39952766761766967
Energy: 0.4076295977716206
Energy: 0.4053980197434719
Energy: 0.399511951632279
Energy: 0.40741275267886423
Energy: 0.42841850295173134
Energy: 0.36429308232174207
Energy: 0.4202993115418171
Energy: 0.4288389330993577
Energy: 0.4079653003258365
Energy: 0.4425854638323349
Energy: 0.40146845213740856
Energy: 0.4531445814480452
Energy: 0.3552568199616669
Energy: 0.4202564618849596
Energy: 0.4389612557763129

minimum gb energy = 0.3325692594950818 eV
minimum distance =  3.20015927028278 Angstroms
sigma value = 17


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

Energy: 0.36278759695179263
Energy: 0.4813777617124049
Energy: 0.35702106367781933
Energy: 0.32840989557479877
Energy: 0.36335709230749186
Energy: 0.3569199971484323
Energy: 0.4667917826870425
Energy: 0.3627763692065181
Energy: 0.31546612459446316
Energy: 0.35698732905388736
Energy: 0.36390134456165873
Energy: 0.331378104428243
Energy: 0.4999961904511215
Energy: 0.3084463892927161
Energy: 0.32642649094189846
Energy: 0.353382828771802
Energy: 0.30868068546170047
Energy: 0.3261861351254174
Energy: 0.42453387052292807
Energy: 0.32629610211763316
Energy: 0.32631737087764984
Energy: 0.4250526173449168
Energy: 0.3055284998561387
Energy: 0.32617667477489765
Energy: 0.379498991058638
Energy: 0.3175302888998607
Energy: 0.31483976206490183
Energy: 0.3573223244795736
Energy: 0.3170136791166432
Energy: 0.31511495025676434
Energy: 0.35155472603179605
Energy: 0.31532680285114184
Energy: 0.3055907917644026
Energy: 0.3069440753464059
Energy: 0.31531524477342604
Energy: 0.3057903609690906
Energy: 0.3560523059862558
Energy: 0.3744228160819071
Energy: 0.33983181485799707
Energy: 0.30705131028391364
Energy: 0.3761898969433053
Energy: 0.3045194942738409
Energy: 0.32615209399669604
Energy: 0.2998659716240251
Energy: 0.30228019423106495
Energy: 0.30433796549475883
Energy: 0.30022562365700844
Energy: 0.3023660360269667
Energy: 0.35690045214091265
Energy: 0.3028188874974183
Energy: 0.3027022752164498
Energy: 0.35737742260860944
Energy: 0.30546526226538845
Energy: 0.3048256867057982
Energy: 0.3573166522915564
Energy: 0.3003268906962451
Energy: 0.300131569076765
Energy: 0.35732286734131247
Energy: 0.3006430595179391
Energy: 0.3001982481357893
Energy: 0.34657533282162467
Energy: 0.3008167239303863
Energy: 0.30076280730693633
Energy: 0.3008632570971707
Energy: 0.3573420226276941
Energy: 0.3007705702201948
Energy: 0.35740033233989116
Energy: 0.35647263438913185
Energy: 0.30320836024901404
Energy: 0.3327007699961257
Energy: 0.356482495795784
Energy: 0.3025073792450662
Energy: 0.36506072863924033
Energy: 0.3019942034449317
Energy: 0.30204509160728
Energy: 0.30301089985647256
Energy: 0.30988503276834206
Energy: 0.3022475383014634
Energy: 0.37465602926197766
Energy: 0.3046676052008788
Energy: 0.3045335823627925
Energy: 0.37527514374597787
Energy: 0.3072099368705336
Energy: 0.37576795661835494
Energy: 0.37439901758252897
Energy: 0.30851228867835384
Energy: 0.3083820796738349
Energy: 0.31573237998626186
Energy: 0.3043981237230902
Energy: 0.31553908560180965
Energy: 0.42756401910797365
Energy: 0.31505506901078284
Energy: 0.3150030502857155
Energy: 0.31635958815975984
Energy: 0.39549609576708405
Energy: 0.31496295147968034
Energy: 0.35651925167189075
Energy: 0.353216891451665
Energy: 0.3535692167995468
Energy: 0.31486687743689235
Energy: 0.3952225036890972
Energy: 0.3172629446487151
Energy: 0.38086104143091776
Energy: 0.3526511526476489
Energy: 0.35272783240678734
Energy: 0.3306549502330387
Energy: 0.35346131463516967
Energy: 0.3172774363638241
Energy: 0.46945642276549227
Energy: 0.3542130664982133
Energy: 0.33172510751847045
Energy: 0.3641509037823138
Energy: 0.31736094164608347
Energy: 0.31488088739514103
Energy: 0.5020561527292395
Energy: 0.3291917470127392
Energy: 0.3291259752360754
Energy: 0.3541062020421068
Energy: 0.3290529704474356
Energy: 0.3628242434845499
Energy: 0.46752615806039854
Energy: 0.3472956815276507
Energy: 0.33096285953846827
Energy: 0.3574248548764827
Energy: 0.35407675052071774
Energy: 0.31652562763490255
Energy: 0.36075282826822147
Energy: 0.36318256945952143
Energy: 0.3809181889867913
Energy: 0.32884346806715375
Energy: 0.36965031012122435
Energy: 0.3302696249787838
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Energy: 0.3542127233234145
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Energy: 0.36299690200300233
Energy: 0.33862381379974255
Energy: 0.50657194800654
Energy: 0.3258723262656701
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Energy: 0.3535754834397973
Energy: 0.30552680993588616
Energy: 0.34772137577986456
Energy: 0.42288892092468866
Energy: 0.3090003289577524
Energy: 0.32668398874174875
Energy: 0.4228685226933936
Energy: 0.3093607757516305
Energy: 0.3265438542255658
Energy: 0.4246023422996531
Energy: 0.3164891131095814
Energy: 0.31692989747585715
Energy: 0.3945824415134957
Energy: 0.3163639843594821
Energy: 0.3145967384355015
Energy: 0.3517799281738357
Energy: 0.31505132751426007
Energy: 0.31467114856506895
Energy: 0.3068777167170077
Energy: 0.3166157480733119
Energy: 0.3161813085757405
Energy: 0.35170608902012096
Energy: 0.37464151773560145
Energy: 0.348015011467471
Energy: 0.37579051844516714
Energy: 0.3759577464649221
Energy: 0.31600397864529134
Energy: 0.32608404092138105
Energy: 0.30302649355999894
Energy: 0.3027308608496591
Energy: 0.3027123162795764
Energy: 0.3143178224037907
Energy: 0.30254903717574966
Energy: 0.3557706412441191
Energy: 0.29991117655142
Energy: 0.3023121309810327
Energy: 0.35638014218019853
Energy: 0.3003358414021185
Energy: 0.3021444480721516
Energy: 0.3585717477957212
Energy: 0.3013504994974914
Energy: 0.3013593616565998
Energy: 0.35722545914973475
Energy: 0.3012229649038208
Energy: 0.30163983249654525
Energy: 0.32765851679994845
Energy: 0.3017397484511017
Energy: 0.30184754668645014
Energy: 0.3023997824002988
Energy: 0.3006689497642108
Energy: 0.3019430537609124
Energy: 0.3608058148906923
Energy: 0.35648313712841284
Energy: 0.3566500780395032
Energy: 0.33310829494952704
Energy: 0.35700985043294786
Energy: 0.35617337735529503
Energy: 0.34246424921905533
Energy: 0.30753806811478807
Energy: 0.30468512952269927
Energy: 0.30364819941531285
Energy: 0.30659744406351325
Energy: 0.303778445057503
Energy: 0.3759139171451445
Energy: 0.3036966613827273
Energy: 0.303741145923547
Energy: 0.3760504999713787
Energy: 0.3038516973718784
Energy: 0.30342830901934376
Energy: 0.37492895294445283
Energy: 0.30435609963964555
Energy: 0.3154495193983735
Energy: 0.37486558680491844
Energy: 0.304665154544355
Energy: 0.31514432945428755
Energy: 0.4822041893742315
Energy: 0.3153344265316277
Energy: 0.3151932950386139
Energy: 0.31533003572093893
Energy: 0.31455084118251775
Energy: 0.31502613724858036
Energy: 0.35602074496357256
Energy: 0.3864790754271935
Energy: 0.31634651957922083
Energy: 0.31540070315805074
Energy: 0.4241324617726494
Energy: 0.32995561989592387
Energy: 0.3601896342219697
Energy: 0.36516843330425197
Energy: 0.3268825908101242
Energy: 0.3178683877813348
Energy: 0.3582626945518856
Energy: 0.32755666761945124
Energy: 0.37460869509464234
Energy: 0.34669059908425226
Energy: 0.3478167089080088
Energy: 0.3180517172616385
Energy: 0.35568749897773017
Energy: 0.3312574790690331
Energy: 0.4705473114455022
Energy: 0.3222966086965785
Energy: 0.3706252239098083
Energy: 0.3986316402567569
Energy: 0.32233494467587787
Energy: 0.3682538355481581
Energy: 0.5066947181586404
Energy: 0.3412942717212167
Energy: 0.31705904885000674
Energy: 0.3535935808635011
Energy: 0.3351318732721991
Energy: 0.3478704573445163
Energy: 0.3615665380797628
Energy: 0.35266573294292153
Energy: 0.34684460148243074
Energy: 0.3087761132805178
Energy: 0.3528445696641494
Energy: 0.33864531667433706

minimum gb energy = 0.2998659716240251 eV
minimum distance =  3.28425586579389 Angstroms
sigma value = 57


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

Energy: 0.32520214888882804
Energy: 0.42421225879899344
Energy: 0.32805655373740383
Energy: 0.2859682336944161
Energy: 0.43701389758664044
Energy: 0.32845402780089583
Energy: 0.43532826625984083
Energy: 0.2942156886243126
Energy: 0.2943331453792848
Energy: 0.32639002969852837
Energy: 0.3312479608442938
Energy: 0.30661632127747135
Energy: 0.4645258013597927
Energy: 0.2846269825579773
Energy: 0.28472712987109094
Energy: 0.32241770462846747
Energy: 0.28446929217154154
Energy: 0.3014081868647103
Energy: 0.40087797708441797
Energy: 0.2843711131505123
Energy: 0.301204276479478
Energy: 0.40135360770775164
Energy: 0.2858048939868765
Energy: 0.30116385453627176
Energy: 0.35183685346622623
Energy: 0.2941685832617656
Energy: 0.2944293100599344
Energy: 0.3521129689262629
Energy: 0.2936571753971777
Energy: 0.290893724098244
Energy: 0.3188965258183702
Energy: 0.29156271716752297
Energy: 0.2830884030267303
Energy: 0.27676935795382296
Energy: 0.29146623766138624
Energy: 0.28361850967592167
Energy: 0.331550345461007
Energy: 0.32764686481894645
Energy: 0.3239653271689534
Energy: 0.27947316892351154
Energy: 0.35681985298079527
Energy: 0.27986011458539334
Energy: 0.3330090343247985
Energy: 0.2748037213781866
Energy: 0.27493379524565376
Energy: 0.2856348664311052
Energy: 0.27479136339587906
Energy: 0.2787965491029777
Energy: 0.33311761381071714
Energy: 0.27982750276671614
Energy: 0.27869327411422784
Energy: 0.33278084946323866
Energy: 0.2780668665173542
Energy: 0.3081382742305797
Energy: 0.3318118881241164
Energy: 0.2739007813423929
Energy: 0.2741031695223229
Energy: 0.331800094457482
Energy: 0.27380938758594625
Energy: 0.27418875814157145
Energy: 0.32370289227697124
Energy: 0.27265250675171127
Energy: 0.27237327324228827
Energy: 0.2722031759826386
Energy: 0.32135565343642414
Energy: 0.2725969366557765
Energy: 0.3336190509128129
Energy: 0.3212622562330838
Energy: 0.32178324962094906
Energy: 0.27357051072206856
Energy: 0.32317268343807065
Energy: 0.27582907047119576
Energy: 0.32128737977206273
Energy: 0.3163555557774956
Energy: 0.2744533357982616
Energy: 0.27365176199681984
Energy: 0.2970298389916606
Energy: 0.2727124476271743
Energy: 0.3216403009007895
Energy: 0.2744713461159823
Energy: 0.2745739791425403
Energy: 0.32236449874175976
Energy: 0.3002777243058244
Energy: 0.3212233101149532
Energy: 0.3212170506711983
Energy: 0.2730609248485118
Energy: 0.2729475710357858
Energy: 0.32158277820868403
Energy: 0.272817476501605
Energy: 0.27259189535383904
Energy: 0.3380845142860105
Energy: 0.30764897149268866
Energy: 0.27618226763590464
Energy: 0.27313767925085725
Energy: 0.3318791904852969
Energy: 0.2759666409787819
Energy: 0.3220807930567191
Energy: 0.3319578515199276
Energy: 0.27794816357241886
Energy: 0.2736249602152901
Energy: 0.33203827470184305
Energy: 0.27852218314251953
Energy: 0.32227454338834394
Energy: 0.2783752581759812
Energy: 0.2782503049493101
Energy: 0.3378077372441736
Energy: 0.2784318983967556
Energy: 0.27844317376121824
Energy: 0.3549924278518483
Energy: 0.28038972410510665
Energy: 0.2800836435118448
Energy: 0.35580792819970036
Energy: 0.284210533141169
Energy: 0.32302774632521425
Energy: 0.35542687597907646
Energy: 0.28497443473452677
Energy: 0.2850387004829398
Energy: 0.2953703190453868
Energy: 0.2866043821239939
Energy: 0.2933203396739637
Energy: 0.44315103453583177
Energy: 0.3287125487387572
Energy: 0.2908973516287485
Energy: 0.2953551676430118
Energy: 0.3284944617367401
Energy: 0.2935279583962111
Energy: 0.32154970362378094
Energy: 0.3221545291703993
Energy: 0.2935769584702313
Energy: 0.2810002478939239
Energy: 0.3687125381534503
Energy: 0.2937826382155201
Energy: 0.3428610571335327
Energy: 0.3222124814661173
Energy: 0.3179411002350875
Energy: 0.3363201278664462
Energy: 0.32914556336523837
Energy: 0.31882266896436773
Energy: 0.43833755751548487
Energy: 0.2962530554649778
Energy: 0.2912266790823969
Energy: 0.2939186286180443
Energy: 0.3007964941073929
Energy: 0.29097896429205633
Energy: 0.4669984109895526
Energy: 0.29590405221337884
Energy: 0.29693305258051533
Energy: 0.3306267289960682
Energy: 0.29582743786488835
Energy: 0.33310068902730927
Energy: 0.47105637595609584
Energy: 0.32673829218751116
Energy: 0.31918600901969396
Energy: 0.32606498870771405
Energy: 0.32559367574703707
Energy: 0.3066656128789584
Energy: 0.32405736045417477
Energy: 0.3326579253684963
Energy: 0.312968622158813
Energy: 0.2873056599409951
Energy: 0.3327600999045855
Energy: 0.3034048739129376

minimum gb energy = 0.2722031759826386 eV
minimum distance =  3.29831866388629 Angstroms
sigma value = 43


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

Energy: 0.2740607445928026
Energy: 0.3318291294851028
Energy: 0.288613013103989
Energy: 0.24591409851036325
Energy: 0.3400089537422518
Energy: 0.2749835268080223
Energy: 0.3769114264913059
Energy: 0.23850870178613306
Energy: 0.2387431313792941
Energy: 0.2608938287791587
Energy: 0.23829479786264496
Energy: 0.23904273018527986
Energy: 0.39214142507514055
Energy: 0.2366821917572224
Energy: 0.24172042177640826
Energy: 0.26125540227138744
Energy: 0.2363958293273918
Energy: 0.2417384315938978
Energy: 0.3468379007326961
Energy: 0.24162941581018707
Energy: 0.24159925901975068
Energy: 0.2799601003954276
Energy: 0.282081495703738
Energy: 0.2459771359900221
Energy: 0.31027347079997997
Energy: 0.23828403256706043
Energy: 0.2383655883031785
Energy: 0.2765322892713834
Energy: 0.23823992449997689
Energy: 0.23857502906893358
Energy: 0.26626801857648774
Energy: 0.23853409382188484
Energy: 0.23600664434971386
Energy: 0.25998378087591895
Energy: 0.27225563080783505
Energy: 0.249938703348992
Energy: 0.3466563098571459
Energy: 0.2761331512416396
Energy: 0.2763149263170329
Energy: 0.23083856771862
Energy: 0.30918692660092545
Energy: 0.23011136996128118
Energy: 0.3685158783111938
Energy: 0.22727229456833384
Energy: 0.2284655950707469
Energy: 0.2491581861354409
Energy: 0.22739674477603805
Energy: 0.22838146644540272
Energy: 0.2899243254702034
Energy: 0.2284913161737618
Energy: 0.22939947011979472
Energy: 0.29039427445785626
Energy: 0.22364204456576214
Energy: 0.230256044432572
Energy: 0.28878230105251024
Energy: 0.22503479723811165
Energy: 0.22509851879521983
Energy: 0.2889361927720164
Energy: 0.2252250210802075
Energy: 0.22519320633708637
Energy: 0.26417408223645994
Energy: 0.22518238338039254
Energy: 0.22467032263456949
Energy: 0.2522800275826723
Energy: 0.27599015681794015
Energy: 0.22387247801156188
Energy: 0.2887932809893082
Energy: 0.275931955907817
Energy: 0.27632760779198595
Energy: 0.2256270076400063
Energy: 0.27598741983702135
Energy: 0.22525191423484317
Energy: 0.2888915679064746
Energy: 0.2507350131341697
Energy: 0.2527358206889887
Energy: 0.24482855090632127
Energy: 0.25070320021742803
Energy: 0.25296600226649574
Energy: 0.26861403488061647
Energy: 0.24599322630131035
Energy: 0.2673554062417523
Energy: 0.26927956224711946
Energy: 0.22192111964120959
Energy: 0.26738996465263754
Energy: 0.2683883445600904
Energy: 0.22184739738106277
Energy: 0.2216362837551245
Energy: 0.26970640015237746
Energy: 0.22182043193298556
Energy: 0.22242457524970646
Energy: 0.266334125187439
Energy: 0.2650497848283444
Energy: 0.22133559975029166
Energy: 0.2219899520605206
Energy: 0.2650009651325983
Energy: 0.22126079213502192
Energy: 0.2683667482770106
Energy: 0.2648966463406044
Energy: 0.2628061669828552
Energy: 0.2230485427989473
Energy: 0.26503197231564163
Energy: 0.22246313261480205
Energy: 0.26492534544983276
Energy: 0.24808329768582615
Energy: 0.22246166982129734
Energy: 0.2610374695228874
Energy: 0.24788433809345356
Energy: 0.22227139415796762
Energy: 0.26487056832212874
Energy: 0.24537152014488453
Energy: 0.2637881365796944
Energy: 0.26559843188792615
Energy: 0.27225620866448613
Energy: 0.2640886403855979
Energy: 0.2649412994972963
Energy: 0.24908961196279383
Energy: 0.22467794434046237
Energy: 0.2491686002639743
Energy: 0.24910267195751243
Energy: 0.22441453945242218
Energy: 0.27616942717186144
Energy: 0.2684371825888451
Energy: 0.2491315553705969
Energy: 0.22519117257076918
Energy: 0.2684144614944476
Energy: 0.22503527578038138
Energy: 0.2671250894602748
Energy: 0.2684394836976195
Energy: 0.22187020358125065
Energy: 0.22231538412752058
Energy: 0.2684778283672725
Energy: 0.22203610086153658
Energy: 0.2759320465455445
Energy: 0.22198676043249838
Energy: 0.22207728408636168
Energy: 0.27584126013324206
Energy: 0.22221406997455337
Energy: 0.22239776750831008
Energy: 0.2762610714875188
Energy: 0.25064303409361804
Energy: 0.2742889040510061
Energy: 0.27697273965239483
Energy: 0.22895001547558808
Energy: 0.24862577090710222
Energy: 0.30999247781778083
Energy: 0.25406723110755497
Energy: 0.2594881671140663
Energy: 0.25966201991113413
Energy: 0.24024148013482943
Energy: 0.2595278150359736
Energy: 0.30911999971959175
Energy: 0.2888084690864177
Energy: 0.258075581960187
Energy: 0.22464733317448884
Energy: 0.28879750266036336
Energy: 0.2242900818464412
Energy: 0.26536655300676426
Energy: 0.22962037299380803
Energy: 0.23017840790668317
Energy: 0.24215557606939847
Energy: 0.2888204557521247
Energy: 0.22798687041205895
Energy: 0.2976470540125837
Energy: 0.22947067628487466
Energy: 0.22984232377195965
Energy: 0.2635199813015918
Energy: 0.22971902370950492
Energy: 0.2300537131195793
Energy: 0.31017784918421004
Energy: 0.234604109966157
Energy: 0.23836425408744988
Energy: 0.3104839822391637
Energy: 0.2353273315208092
Energy: 0.2384440587573239
Energy: 0.3771297888785892
Energy: 0.23203750254779051
Energy: 0.23445901661326546
Energy: 0.23866945866925512
Energy: 0.23179241442832313
Energy: 0.2343880060562247
Energy: 0.3758648625910822
Energy: 0.24397863388553154
Energy: 0.24289228693739326
Energy: 0.23812514941327723
Energy: 0.27896422309255764
Energy: 0.23832285849101129
Energy: 0.2696309195919544
Energy: 0.2582310433703138
Energy: 0.2446937204308943
Energy: 0.23538961704884986
Energy: 0.258265224586458
Energy: 0.24055594764759047
Energy: 0.34646604228953254
Energy: 0.26176857771744266
Energy: 0.262109430361584
Energy: 0.28196959458210236
Energy: 0.2613617740040266
Energy: 0.2553709307683012
Energy: 0.3765755159301446
Energy: 0.2520574355913125
Energy: 0.25214284884871324
Energy: 0.2579708836436556
Energy: 0.2894038826603021
Energy: 0.26414859166675075
Energy: 0.39218635122841417
Energy: 0.2442657307970657
Energy: 0.25230699262536893
Energy: 0.27070625260779607
Energy: 0.24413804912700224
Energy: 0.25207105120737905
Energy: 0.3769604476659444
Energy: 0.2615787941396421
Energy: 0.2619172685664675
Energy: 0.2610501962134543
Energy: 0.2616756305525234
Energy: 0.23956241052213392

minimum gb energy = 0.22126079213502192 eV
minimum distance =  3.31476049726975 Angstroms
sigma value = 81


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

Energy: 0.004833670741998729
Energy: 0.005047822645990328
Energy: 0.004961113178408511
Energy: 0.005792767217078256
Energy: 0.0050537748775622005
Energy: 0.005121187875265955
Energy: 0.02318427463980467
Energy: 0.005090389366376667
Energy: 0.005131193503007195
Energy: 0.022968283992459475
Energy: 0.005069067769111519
Energy: 0.005128905748871083
Energy: 0.0229224087217655
Energy: 0.005020440590647087
Energy: 0.004973342314543068
Energy: 0.02286264711599551
Energy: 0.005014660003282207
Energy: 0.023319143065343127
Energy: 0.005877483834763525
Energy: 0.005142616074179954
Energy: 0.005031553802710592
Energy: 0.005069075363368865
Energy: 0.00505847550483884
Energy: 0.023516803203791
Energy: 0.023282325358694143
Energy: 0.022846273105867478
Energy: 0.022927027705684493
Energy: 0.023769794078121957
Energy: 0.022854751257701766
Energy: 0.022850632879758196
Energy: 0.005401976496675831
Energy: 0.005088601884439397
Energy: 0.004958400694436142
Energy: 0.004908487857668365
Energy: 0.005133473220640015
Energy: 0.005092776265631271
Energy: 0.022915479348906576
Energy: 0.005081499636049301
Energy: 0.005137737256951193
Energy: 0.022960143740928397
Energy: 0.005062350812430421
Energy: 0.005101487292681885
Energy: 0.02288305405419033
Energy: 0.005014848081271991
Energy: 0.004981812937537655
Energy: 0.022850640726290283
Energy: 0.005063308521338925
Energy: 0.02372332773207463
Energy: 0.005315169052386191
Energy: 0.00504280125651644
Energy: 0.02342101998235186
Energy: 0.0058348211091878025
Energy: 0.005066459088222771
Energy: 0.023728557660321135
Energy: 0.004907978456792316
Energy: 0.02287872745904043
Energy: 0.022896629806195463
Energy: 0.004895019874524197
Energy: 0.022867377650660006
Energy: 0.022883329368259243

minimum gb energy = 0.004833670741998729 eV
minimum distance =  3.47461602104701 Angstroms
sigma value = 3


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

Energy: 0.28243556910358414
Energy: 0.27847260020345566
Energy: 0.27775794847979074
Energy: 0.2614973799477201
Energy: 0.27835491753475694
Energy: 0.2633018530597413
Energy: 0.29468017070241675
Energy: 0.28174675200977084
Energy: 0.28266853079895976
Energy: 0.28128870924416993
Energy: 0.28329241753781864
Energy: 0.2824892623130974
Energy: 0.29475755223967454
Energy: 0.2678848806749256
Energy: 0.26819992689728295
Energy: 0.2842186746371005
Energy: 0.26831019625555486
Energy: 0.27836846232295115
Energy: 0.2830006847004372
Energy: 0.2679433822193194
Energy: 0.26829234325023843
Energy: 0.2804265406288702
Energy: 0.26724695409520755
Energy: 0.27673135868140347
Energy: 0.2694214331609993
Energy: 0.282468318070266
Energy: 0.2829394845579578
Energy: 0.26938985203258153
Energy: 0.2828440046647454
Energy: 0.28267092398402616
Energy: 0.2686344561990674
Energy: 0.2833979928619108
Energy: 0.2760252405564537
Energy: 0.24036487994227426
Energy: 0.28338868912308784
Energy: 0.26288508828794377
Energy: 0.28286476532213756
Energy: 0.2758768544757425
Energy: 0.27626511858188607
Energy: 0.28139174770477804
Energy: 0.2774625946484025
Energy: 0.283669049369182
Energy: 0.28303253947026924
Energy: 0.269291682434182
Energy: 0.2692955664060081
Energy: 0.2810842321460917
Energy: 0.25686835803963526
Energy: 0.2699932231649654
Energy: 0.28704536933729335
Energy: 0.2698601032510758
Energy: 0.2793252762471949
Energy: 0.28592901661158415
Energy: 0.27755986565984
Energy: 0.27967048192818655
Energy: 0.28315875882047653
Energy: 0.2650723616609083
Energy: 0.2693637560928288
Energy: 0.28305723330391835
Energy: 0.26535506467186365
Energy: 0.2687946994698048
Energy: 0.272785378363611
Energy: 0.2743961458096755
Energy: 0.27522801267412417
Energy: 0.23583204656888024
Energy: 0.2776587732342406
Energy: 0.2627324706427085
Energy: 0.25022422789664633
Energy: 0.2780321211359448
Energy: 0.27510030735853974
Energy: 0.25026678367216576
Energy: 0.2793731614968465
Energy: 0.25016333235930455
Energy: 0.25117941049553494
Energy: 0.25794371790385157
Energy: 0.2672965640235195
Energy: 0.25114596131658146
Energy: 0.23196700019269356
Energy: 0.2676655997832437
Energy: 0.27209456950213695
Energy: 0.25672936679558567
Energy: 0.2673165693057807
Energy: 0.2588317969121216
Energy: 0.25338926825102265
Energy: 0.26874853283429523
Energy: 0.27194159606856244
Energy: 0.23937534119300116
Energy: 0.239342113088807
Energy: 0.2719135980149701
Energy: 0.23955394211013986
Energy: 0.2397727742659755
Energy: 0.2717442474438063
Energy: 0.2608500430484124
Energy: 0.2612944533336039
Energy: 0.26172547370819355
Energy: 0.26876899954449585
Energy: 0.261399326192603
Energy: 0.2341140975452608
Energy: 0.26343195105492795
Energy: 0.2628122458353469
Energy: 0.23400503887688978
Energy: 0.2614481533413938
Energy: 0.23403624152886995
Energy: 0.23461010401794333
Energy: 0.2599972803190883
Energy: 0.26026673205592615
Energy: 0.23462882891924822
Energy: 0.23545283093145417
Energy: 0.26039327077763136
Energy: 0.26816786579858837
Energy: 0.26897078003856045
Energy: 0.2593828206939408
Energy: 0.2354134719183263
Energy: 0.2456202915917017
Energy: 0.2599531358225915
Energy: 0.27069449853697913
Energy: 0.2339479435260637
Energy: 0.2337537379750624
Energy: 0.26877438798693315
Energy: 0.23419852703612445
Energy: 0.23416979035544647
Energy: 0.2704035647645677
Energy: 0.2611112180210243
Energy: 0.26347238978059256
Energy: 0.2696078204801344
Energy: 0.2720665938114881
Energy: 0.2627216192216467
Energy: 0.23986630029856493
Energy: 0.26100340742058376
Energy: 0.2631651895052676
Energy: 0.2396377260912749
Energy: 0.2617287109452297
Energy: 0.23943187542645394
Energy: 0.240240055247208
Energy: 0.2678462060468232
Energy: 0.2676756480668588
Energy: 0.2401663043973846
Energy: 0.2678173628001481
Energy: 0.26756784295286073
Energy: 0.27238601545106944
Energy: 0.251006668455191
Energy: 0.2664968037873774
Energy: 0.23491702174676715
Energy: 0.25045422085936747
Energy: 0.26188076579714187
Energy: 0.28049444900711845
Energy: 0.2503455780249104
Energy: 0.2500467558012544
Energy: 0.2808509181483361
Energy: 0.25041171448941035
Energy: 0.25068714553371324
Energy: 0.27990125148533285
Energy: 0.26801424518169253
Energy: 0.2683471189937705
Energy: 0.27832083441641686
Energy: 0.2571138871483396
Energy: 0.2754901253399922
Energy: 0.2659499251873377
Energy: 0.2679629302538601
Energy: 0.26815934858304724
Energy: 0.2657668646016672
Energy: 0.2794043596425753
Energy: 0.26983796108743585
Energy: 0.2550348268813471
Energy: 0.28453528537921124
Energy: 0.28432855390943995
Energy: 0.25535169050868034
Energy: 0.2854685928768801
Energy: 0.2842609785335859
Energy: 0.2722736731576409
Energy: 0.2809585231006661
Energy: 0.27761508962419823
Energy: 0.2374185871297771
Energy: 0.2801470838492381
Energy: 0.2630277471556701
Energy: 0.2773076603289085
Energy: 0.2808439683548662
Energy: 0.284294865891079
Energy: 0.2768773347803261
Energy: 0.2824460811471368
Energy: 0.28376035441828584
Energy: 0.2819369907250241
Energy: 0.2698349332204626
Energy: 0.27016449174113527
Energy: 0.2820333693613551
Energy: 0.2562490210437868
Energy: 0.27030004775443783
Energy: 0.29540435700071366
Energy: 0.27094476280935215
Energy: 0.28359180282043867
Energy: 0.2829103036483637
Energy: 0.2567990373623164
Energy: 0.28269367681302626
Energy: 0.2624598377753839
Energy: 0.2817134589578608
Energy: 0.28018112499858044
Energy: 0.26362114640895795
Energy: 0.28059140776716557
Energy: 0.2719422927592446

minimum gb energy = 0.23196700019269356 eV
minimum distance =  3.21804481608175 Angstroms
sigma value = 67


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

Energy: 0.3494011134599611
Energy: 0.3425759658811197
Energy: 0.34215902886818145
Energy: 0.31374793330048667
Energy: 0.34261044974217547
Energy: 0.34159864263512313
Energy: 0.36069576692514094
Energy: 0.34150706147772775
Energy: 0.3414226048584234
Energy: 0.3403446449323493
Energy: 0.3429987554514664
Energy: 0.34247635019029143
Energy: 0.36153666555951086
Energy: 0.3323213809091132
Energy: 0.33397471373996107
Energy: 0.3409889252100358
Energy: 0.3324540250031368
Energy: 0.33412952765614057
Energy: 0.386970186380156
Energy: 0.33417467733247525
Energy: 0.33416793073392537
Energy: 0.38702628319502846
Energy: 0.336264817085432
Energy: 0.33441141841783517
Energy: 0.3484073484978868
Energy: 0.34563260279290625
Energy: 0.3396298328565479
Energy: 0.342632156388264
Energy: 0.34341303375671045
Energy: 0.3407977185077073
Energy: 0.33096480968364755
Energy: 0.3387126468136609
Energy: 0.33675129419937916
Energy: 0.3224727578289163
Energy: 0.3376235532623849
Energy: 0.3365238716047341
Energy: 0.34141469034255656
Energy: 0.34568844201815185
Energy: 0.33980742300638245
Energy: 0.34081664038663784
Energy: 0.34476958341677005
Energy: 0.34206603833504506
Energy: 0.3427246597752693
Energy: 0.3320561692709358
Energy: 0.3317642215763205
Energy: 0.3383350991083731
Energy: 0.3120371561883631
Energy: 0.34131467305523344
Energy: 0.34272727180481316
Energy: 0.3414162960025026
Energy: 0.3412419918071912
Energy: 0.34308465901026164
Energy: 0.34021027607635224
Energy: 0.34508740909149715
Energy: 0.34308992744282835
Energy: 0.326615394100851
Energy: 0.32890009777964563
Energy: 0.3432182120657037
Energy: 0.32626279534277003
Energy: 0.3292684209152654
Energy: 0.33940759847350166
Energy: 0.3357168229441252
Energy: 0.3354721466536881
Energy: 0.3136914757776925
Energy: 0.33774010756619127
Energy: 0.3354538267679432
Energy: 0.31281497461752317
Energy: 0.3369210236815096
Energy: 0.3363424573672047
Energy: 0.3128131743904543
Energy: 0.3285945625490504
Energy: 0.31355879626043776
Energy: 0.31331377299443713
Energy: 0.3139290301181053
Energy: 0.33169345586023485
Energy: 0.3132476800840751
Energy: 0.3147220404440884
Energy: 0.32318925509431423
Energy: 0.3367085125665766
Energy: 0.3319426116406002
Energy: 0.332976858770213
Energy: 0.3138732107584596
Energy: 0.3376863010729875
Energy: 0.3328920918135541
Energy: 0.3374154106976732
Energy: 0.3135842226942958
Energy: 0.3128878536003314
Energy: 0.3375426955182154
Energy: 0.31416879241468476
Energy: 0.3131414478827406
Energy: 0.33748637471350856
Energy: 0.33550226810072104
Energy: 0.33662580926539887
Energy: 0.33688986595931
Energy: 0.34130860084244363
Energy: 0.33608751580398233
Energy: 0.3247421978745682
Energy: 0.32980786454954264
Energy: 0.3317543744106903
Energy: 0.324725476082069
Energy: 0.3106489187488642
Energy: 0.32887567195808765
Energy: 0.32383534258899527
Energy: 0.3451814871427665
Energy: 0.3456941315752633
Energy: 0.3238553075379366
Energy: 0.34479186817109114
Energy: 0.3422988427037831
Energy: 0.3322182921900104
Energy: 0.34086524004168645
Energy: 0.33800132146623124
Energy: 0.316063808949158
Energy: 0.34029919239263834
Energy: 0.3380570011237379
Energy: 0.34162699714982797
Energy: 0.34255233231233057
Energy: 0.3463496653295574
Energy: 0.3416809534565884
Energy: 0.3416206106208598
Energy: 0.3426616784044787
Energy: 0.38120665949881327
Energy: 0.3410356677259104
Energy: 0.34082661611148446
Energy: 0.3435622188845627
Energy: 0.3335962821894943
Energy: 0.34221673130552793
Energy: 0.3615323411632108
Energy: 0.3326317404555551
Energy: 0.34098923349826127
Energy: 0.34087385192155284
Energy: 0.33280182614378934
Energy: 0.34214147641572207
Energy: 0.3485388581699004
Energy: 0.34415357678863057
Energy: 0.34217342825719543
Energy: 0.34055402834185605
Energy: 0.3438826797356613
Energy: 0.3416989253866086

minimum gb energy = 0.3106489187488642 eV
minimum distance =  3.23565561018664 Angstroms
sigma value = 33


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

Energy: 0.41205507567148514
Energy: 0.4104030698911646
Energy: 0.4041710019193512
Energy: 0.3863939836619328
Energy: 0.4102273907739966
Energy: 0.3945337503411875
Energy: 0.4312364726994234
Energy: 0.3972755666725228
Energy: 0.3967698116165758
Energy: 0.40111252043897144
Energy: 0.3988992142485338
Energy: 0.39662118289420295
Energy: 0.4324119825255142
Energy: 0.3908605186106489
Energy: 0.3897602260716802
Energy: 0.3992786799626502
Energy: 0.3856941484135348
Energy: 0.39082719284668044
Energy: 0.40855136417253035
Energy: 0.3920843014274958
Energy: 0.3894797482360945
Energy: 0.39795179152877913
Energy: 0.39006924765283346
Energy: 0.3899043114842182
Energy: 0.4126101531015274
Energy: 0.3977167708818024
Energy: 0.39699052643387667
Energy: 0.4009759890585533
Energy: 0.3986807264369721
Energy: 0.3964126454061282
Energy: 0.3886830499288527
Energy: 0.39756237024999885
Energy: 0.3991043795987605
Energy: 0.3747470228349862
Energy: 0.39651879362687215
Energy: 0.38993034427293294
Energy: 0.4020148590976377
Energy: 0.39673370324270185
Energy: 0.3963300677580839
Energy: 0.392326350456452
Energy: 0.3982053961607374
Energy: 0.3915240993733663
Energy: 0.40225302308516503
Energy: 0.383578598696927
Energy: 0.3953010341487378
Energy: 0.3924699657160624
Energy: 0.38007885430817395
Energy: 0.3954749486455407
Energy: 0.3940639502757619
Energy: 0.39466346914990386
Energy: 0.39488689298065516
Energy: 0.3954819578153093
Energy: 0.3991642311672976
Energy: 0.3967324175663969
Energy: 0.3940326910627763
Energy: 0.3799163420143005
Energy: 0.37988333085485176
Energy: 0.3941282070240333
Energy: 0.3808709032173298
Energy: 0.38386533101896864
Energy: 0.393751789325418
Energy: 0.39021000198337696
Energy: 0.39071737145965607
Energy: 0.37994630576578425
Energy: 0.3948427925282634
Energy: 0.39090241972758805
Energy: 0.380632515811923
Energy: 0.38357629897444356
Energy: 0.38405520889038647
Energy: 0.3807429965511895
Energy: 0.38343242967802965
Energy: 0.38398765832323145
Energy: 0.38071320765344235
Energy: 0.3949185472170024
Energy: 0.3975810069408443
Energy: 0.3805708623460964
Energy: 0.39094261107539696
Energy: 0.38028187946307224
Energy: 0.3918394756844272
Energy: 0.39472401114082717
Energy: 0.39449148008496976
Energy: 0.37301137979646404
Energy: 0.3933112051851944
Energy: 0.3881187954911239
Energy: 0.3955212619250272
Energy: 0.39098390895256585
Energy: 0.3903955971027849
Energy: 0.39537270050685325
Energy: 0.3923565211839839
Energy: 0.39737890878235366
Energy: 0.4010774174441307
Energy: 0.3937116500727065
Energy: 0.3935295344005834
Energy: 0.40102741589791924
Energy: 0.3928105458192985
Energy: 0.40100903071123667
Energy: 0.4331889993863418
Energy: 0.38887130946041754
Energy: 0.3943860694093956
Energy: 0.39981590554998053
Energy: 0.38293287637646
Energy: 0.39465018727212875
Energy: 0.43404113712632064
Energy: 0.40091930690046873
Energy: 0.40032092740215763
Energy: 0.3984419828836602
Energy: 0.40276066180422265
Energy: 0.4098590170783112
Energy: 0.3805784614038667
Energy: 0.3981646849378357
Energy: 0.3917840100962199
Energy: 0.37811499665699416
Energy: 0.3991727089712728
Energy: 0.3881787456015513
Energy: 0.4103004898946619
Energy: 0.3977141738149845
Energy: 0.39668339625639704
Energy: 0.3946247270159822
Energy: 0.3989611330975623
Energy: 0.3964547540021745
Energy: 0.43256264853191567
Energy: 0.39079659010047413
Energy: 0.39021654655426996
Energy: 0.39903614406937743
Energy: 0.39650616013368817
Energy: 0.39047028467682876
Energy: 0.40766985995925337
Energy: 0.3913203217602358
Energy: 0.3895969965025502
Energy: 0.39907676211270476
Energy: 0.38635862282297934
Energy: 0.39073821729965863
Energy: 0.4127217048366372
Energy: 0.3975240262982227
Energy: 0.396644627869904
Energy: 0.40055466345651497
Energy: 0.3986854116020643
Energy: 0.396591209305336
Energy: 0.3874164594760902
Energy: 0.39694667348475
Energy: 0.39814602113822506
Energy: 0.37471787185822253
Energy: 0.3962162380863662
Energy: 0.38934133429152384
Energy: 0.4012503277639691
Energy: 0.39671816027769446
Energy: 0.3960686030524787
Energy: 0.39231096903369594
Energy: 0.39659517093548674
Energy: 0.4035337215340857
Energy: 0.40168145211118433
Energy: 0.3840788885207705
Energy: 0.3955073196995908
Energy: 0.3921581854962904
Energy: 0.38048662501908953
Energy: 0.39564667204439913
Energy: 0.39319489221002835
Energy: 0.38479651438727885
Energy: 0.3954084828002291
Energy: 0.3942900124055787
Energy: 0.38842376155485797
Energy: 0.3954187752202178
Energy: 0.3941108515176823
Energy: 0.3801585167041018
Energy: 0.3797640621141314
Energy: 0.3944823446284497
Energy: 0.3811975117196805
Energy: 0.3839530270301996
Energy: 0.3936153412818414
Energy: 0.39659217555556536
Energy: 0.39069205498117354
Energy: 0.3798201101535282
Energy: 0.3947491199402455
Energy: 0.390722011213866
Energy: 0.3800211546484163
Energy: 0.38382902370292726
Energy: 0.38387280238823446
Energy: 0.38001887779063087
Energy: 0.3894264706064656
Energy: 0.38982704788775063
Energy: 0.3806942152388867
Energy: 0.3960112430046119
Energy: 0.39058866205504766
Energy: 0.38060256845032725
Energy: 0.396052643170272
Energy: 0.3845138391057514
Energy: 0.39178135928213875
Energy: 0.39535874723251646
Energy: 0.39481767346088686
Energy: 0.3706349522403089
Energy: 0.39445548859589563
Energy: 0.3875490710222335
Energy: 0.3923906066474401
Energy: 0.391408703098895
Energy: 0.39073715817189164
Energy: 0.39357312317982
Energy: 0.3927572431273216
Energy: 0.3970805106173569
Energy: 0.40192291983161965
Energy: 0.3932869947892982
Energy: 0.401142732690552
Energy: 0.40275626948680304
Energy: 0.3916076672845413
Energy: 0.4002758969714659
Energy: 0.4327700408402572
Energy: 0.3883575603302281
Energy: 0.39421978462401236
Energy: 0.399794212667668
Energy: 0.36685157796060375
Energy: 0.3946728987591367
Energy: 0.43389849573910766
Energy: 0.4004846039794109
Energy: 0.3997351078509091
Energy: 0.3990242410952564
Energy: 0.40231589289044783
Energy: 0.400189005663373
Energy: 0.38043478017275983
Energy: 0.3985395770230417
Energy: 0.3921668684349712
Energy: 0.3776443032561877
Energy: 0.3994717626830782
Energy: 0.3885756050010707

minimum gb energy = 0.36685157796060375 eV
minimum distance =  3.25484928626979 Angstroms
sigma value = 41


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

Energy: 0.49077138644921114
Energy: 0.48571732073420776
Energy: 0.5027587081425752
Energy: 0.4741990362506557
Energy: 0.5118296393394532
Energy: 0.5051716133229291
Energy: 0.5243761208899745
Energy: 0.48219604137413624
Energy: 0.4825381165982055
Energy: 0.48710398204412103
Energy: 0.4815356689983575
Energy: 0.4721195229006713
Energy: 0.5284038218580438
Energy: 0.46778290778674825
Energy: 0.4672399411028416
Energy: 0.48206101625698006
Energy: 0.4680650399880279
Energy: 0.47582946755762817
Energy: 0.4907478082592622
Energy: 0.4676403442707591
Energy: 0.4675767578251292
Energy: 0.4811536173177068
Energy: 0.4679965159100354
Energy: 0.4718492345833964
Energy: 0.4865979650513974
Energy: 0.48094086412392323
Energy: 0.48201394512599427
Energy: 0.48656689719405116
Energy: 0.48180952671012806
Energy: 0.47196039217407026
Energy: 0.47207234064921627
Energy: 0.48084844171584296
Energy: 0.4714233719789689
Energy: 0.46764024907984525
Energy: 0.4792084277342674
Energy: 0.4715626750048036
Energy: 0.4814152947890866
Energy: 0.4852082805077039
Energy: 0.4823022643927244
Energy: 0.4725376520652028
Energy: 0.484866844226402
Energy: 0.4716490865117396
Energy: 0.482087987175167
Energy: 0.47266833944687664
Energy: 0.47188044578049326
Energy: 0.4731802636656149
Energy: 0.4719743090643689
Energy: 0.4716728736314241
Energy: 0.46850347711559054
Energy: 0.47186298446865105
Energy: 0.47221494340063436
Energy: 0.4701994949508231
Energy: 0.48405987264465683
Energy: 0.47219152345693777
Energy: 0.4782076771808876
Energy: 0.4725228661710825
Energy: 0.47173343562737485
Energy: 0.4718032519919589
Energy: 0.472146121816792
Energy: 0.4712590205562314
Energy: 0.47988181611467406
Energy: 0.4793652914500486
Energy: 0.48690126018042973
Energy: 0.48046959628934055
Energy: 0.4823952261532112
Energy: 0.4818036560147809
Energy: 0.5276360192062646
Energy: 0.4689480779406322
Energy: 0.46907322320267536
Energy: 0.48327710886463043
Energy: 0.46863046941830394
Energy: 0.4688931368200202
Energy: 0.5288232063287188
Energy: 0.4844148989556017
Energy: 0.47930637913591506
Energy: 0.48168622009005513
Energy: 0.484059870614673
Energy: 0.4815440908083286
Energy: 0.47102659782478906
Energy: 0.4803751330501857
Energy: 0.4693117044303317
Energy: 0.4660651598695343
Energy: 0.4811024032350821
Energy: 0.4686459668416917

minimum gb energy = 0.4660651598695343 eV
minimum distance =  3.24703999872087 Angstroms
sigma value = 11


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

Energy: 0.5698298788974497
Energy: 0.5539271295626572
Energy: 0.5818288537037392
Energy: 0.5675480040928542
Energy: 0.5685728604080448
Energy: 0.5763133885115781
Energy: 0.6284882870387676
Energy: 0.5527053383867713
Energy: 0.54783505465553
Energy: 0.545315200806937
Energy: 0.5508690703418548
Energy: 0.5444634337676664
Energy: 0.6276449133264415
Energy: 0.5348384012754338
Energy: 0.534486232459
Energy: 0.5370756373767896
Energy: 0.5352056548394589
Energy: 0.5366797279065175
Energy: 0.5494050967135997
Energy: 0.5347015714920527
Energy: 0.5367748468090066
Energy: 0.5365695768205803
Energy: 0.5346670419245768
Energy: 0.5368185657348912
Energy: 0.552217316761286
Energy: 0.538980968679863
Energy: 0.5393693263906395
Energy: 0.543958459065331
Energy: 0.5384279662455792
Energy: 0.5390025966056
Energy: 0.5495700247007508
Energy: 0.533981422334887
Energy: 0.5335852399072801
Energy: 0.5392644435197339
Energy: 0.5402524813532646
Energy: 0.5337527175662804
Energy: 0.5560176736448069
Energy: 0.5339210363612026
Energy: 0.533762198188281
Energy: 0.5291982605820953
Energy: 0.5321117736547168
Energy: 0.5335465697603736
Energy: 0.5712474702898747
Energy: 0.5389633747649564
Energy: 0.5385022727877559
Energy: 0.5388909992921034
Energy: 0.5390199063418752
Energy: 0.5391497168184068
Energy: 0.542357469654644
Energy: 0.536940762754793
Energy: 0.5364970427546145
Energy: 0.5318259066719094
Energy: 0.536915961874742
Energy: 0.5375189312860542
Energy: 0.5422389428083463
Energy: 0.5367635187425137
Energy: 0.536479535416538
Energy: 0.5298150733771477
Energy: 0.5370095803992658
Energy: 0.5374262245104323
Energy: 0.5657711437889248
Energy: 0.5478353037197211
Energy: 0.5463086787915112
Energy: 0.5517109844482734
Energy: 0.5471311882278318
Energy: 0.5470989771674787
Energy: 0.5497875143594992
Energy: 0.534507457697117
Energy: 0.5345334457366722
Energy: 0.5498126136012403
Energy: 0.5309624557707053
Energy: 0.5379242848262807
Energy: 0.5555213241840998
Energy: 0.5363760736898079
Energy: 0.5360646843791599
Energy: 0.5558470539626831
Energy: 0.5367823104216165
Energy: 0.5363628740995877
Energy: 0.5436317817325973
Energy: 0.5425480330235625
Energy: 0.5423635852122204
Energy: 0.5349309057781615
Energy: 0.5426640857773974
Energy: 0.5368273227405725
Energy: 0.5553944078521721
Energy: 0.5368213652389014
Energy: 0.5363980334163628
Energy: 0.5403707791061637
Energy: 0.5366390300804701
Energy: 0.5368522276229358
Energy: 0.5616399320419001
Energy: 0.5368746759861424
Energy: 0.5364294463806527
Energy: 0.5339374598998312
Energy: 0.5364624376379934
Energy: 0.5371915732413619
Energy: 0.5528797257456112
Energy: 0.5363981351529229
Energy: 0.5362459086840156
Energy: 0.5305928732831517
Energy: 0.5365869630936644
Energy: 0.5367598249511369
Energy: 0.5428421357578218
Energy: 0.557451225976488
Energy: 0.5471966246170177
Energy: 0.546492461972237
Energy: 0.5368515352935886
Energy: 0.5309780034630909
Energy: 0.5476383268607925
Energy: 0.5364394347035742
Energy: 0.5362712745985708
Energy: 0.538368680494815
Energy: 0.5362502280532394
Energy: 0.5363963472054678
Energy: 0.5457777030756346
Energy: 0.5358206501520513
Energy: 0.5353114807366767
Energy: 0.5461691196528875
Energy: 0.536091354502534
Energy: 0.5344714458432251
Energy: 0.6005097647373969
Energy: 0.5351693131996917
Energy: 0.5344612571854753
Energy: 0.5464173766821849
Energy: 0.5353064409850091
Energy: 0.5449555048734066
Energy: 0.5666644580873709
Energy: 0.5444450799790971
Energy: 0.544652184795346
Energy: 0.5362078435317459
Energy: 0.5447854563728721
Energy: 0.5446317504403684
Energy: 0.5485557674409391
Energy: 0.5449604663942109
Energy: 0.5427240372976259
Energy: 0.5275978752557446
Energy: 0.5423925482891008
Energy: 0.5377694056106085
Energy: 0.5929164818715944
Energy: 0.5474922998558786
Energy: 0.5365892442383084
Energy: 0.5363051153720064
Energy: 0.5530505331547474
Energy: 0.5363296183234149
Energy: 0.5674864868030771
Energy: 0.5365693596160939
Energy: 0.5362143124597918
Energy: 0.5628337725934988
Energy: 0.5366761066919417
Energy: 0.5378948356015283
Energy: 0.5522401680733382
Energy: 0.5308036312390382
Energy: 0.536902956442642
Energy: 0.5365881227699579
Energy: 0.5270167122432614
Energy: 0.5369186135576954
Energy: 0.5524208915325748
Energy: 0.5366340202124581
Energy: 0.5377810819950384
Energy: 0.536476603913011
Energy: 0.5366126016894683
Energy: 0.5366481340427274
Energy: 0.5518729462702605
Energy: 0.5367269921885613
Energy: 0.5374615647536851
Energy: 0.5368183996362835
Energy: 0.5422826296669566
Energy: 0.5364777809405766
Energy: 0.5551189143640061
Energy: 0.5338345028532155
Energy: 0.5335679767974937
Energy: 0.567824265516495
Energy: 0.535487723427256
Energy: 0.5333913432631887
Energy: 0.6272654182407529
Energy: 0.5477399193491018
Energy: 0.53810565306484
Energy: 0.5363198513364348
Energy: 0.5387401314361887
Energy: 0.5360437008948861
Energy: 0.5562649428878466
Energy: 0.5442619290771972
Energy: 0.547840091012999
Energy: 0.5193675069495469
Energy: 0.5534254899152516
Energy: 0.5366629423132803

minimum gb energy = 0.5193675069495469 eV
minimum distance =  3.24033301879699 Angstroms
sigma value = 57


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

Energy: 0.7651435047058458
Energy: 0.5786447459041083
Energy: 0.5877285661913305
Energy: 0.5886379637293887
Energy: 0.5930306811967663
Energy: 0.5878297711729278
Energy: 0.6249475361557962
Energy: 0.5689037509546941
Energy: 0.5676210292423716
Energy: 0.5790465473005711
Energy: 0.5671254597220041
Energy: 0.5682163304193636
Energy: 0.5912490154454328
Energy: 0.561929430015492
Energy: 0.5616850410100109
Energy: 0.5674322176127699
Energy: 0.5623672474666096
Energy: 0.5685196599261984
Energy: 0.5791165451657221
Energy: 0.5684960883220491
Energy: 0.568209851979744
Energy: 0.5778383887301616
Energy: 0.5631820665486448
Energy: 0.5680546286605459
Energy: 0.5789337533367682
Energy: 0.5691475050942044
Energy: 0.5679147701811667
Energy: 0.5680572202283509
Energy: 0.5673240133722925
Energy: 0.5674808659668742
Energy: 0.5797773163805945
Energy: 0.5681929418561347
Energy: 0.5678861500831932
Energy: 0.5688673873681809
Energy: 0.5916173920180855
Energy: 0.5676619462543455
Energy: 0.5921053195676566
Energy: 0.5616842950720577
Energy: 0.5619730898032238
Energy: 0.5908617015738442
Energy: 0.5621113222511428
Energy: 0.5683642358703925
Energy: 0.6248390068621736
Energy: 0.5684397707077049
Energy: 0.568482363504047
Energy: 0.5688765556548377
Energy: 0.5685158592410334
Energy: 0.5682965774704971
Energy: 0.6002856451420102
Energy: 0.5688434205928029
Energy: 0.5625136061902275
Energy: 0.5644134205941699
Energy: 0.5679280102402982
Energy: 0.5624713672538038
Energy: 0.6001724408470899
Energy: 0.5686637804008452
Energy: 0.5626281479368698
Energy: 0.564454194278736
Energy: 0.5679208735180061
Energy: 0.5628175658903297
Energy: 0.6256299356878177
Energy: 0.5680955699435534
Energy: 0.568009749512071
Energy: 0.5784805552935651
Energy: 0.5685760150742467
Energy: 0.567965886464253
Energy: 0.5790452780197061
Energy: 0.5617968065485236
Energy: 0.5616534312806962
Energy: 0.5673682669789868
Energy: 0.5623783578261758
Energy: 0.5687324125770435
Energy: 0.5791485469609247
Energy: 0.5685313443980393
Energy: 0.5679991196261844
Energy: 0.5795503965521883
Energy: 0.5781224163594004
Energy: 0.5676934591380763
Energy: 0.5794185399479306
Energy: 0.568585944572145
Energy: 0.5679539501724895
Energy: 0.5687280527389524
Energy: 0.581576713910131
Energy: 0.5677453157433208
Energy: 0.5904729842274189
Energy: 0.5622499058981918
Energy: 0.567474422542559
Energy: 0.5685356681447865
Energy: 0.5623522596793304
Energy: 0.5673596534997266
Energy: 0.5911477803869825
Energy: 0.5618768325232306
Energy: 0.5620459376580897
Energy: 0.5681427532550519
Energy: 0.5621644765233839
Energy: 0.5675753207992977
Energy: 0.599968137972604
Energy: 0.5686510538742038
Energy: 0.5682457130084329
Energy: 0.5860531478661429
Energy: 0.5688124442180732
Energy: 0.567969539093898

minimum gb energy = 0.5616534312806962 eV
minimum distance =  3.24344974862479 Angstroms
sigma value = 9


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

Energy: 0.6419656128849399
Energy: 0.601899035372677
Energy: 0.6010175811494172
Energy: 0.6026172064069264
Energy: 0.6011458413986172
Energy: 0.6194311193826506
Energy: 0.6120878675795625
Energy: 0.5827016546700048
Energy: 0.5828909705618609
Energy: 0.5828439721118392
Energy: 0.5822607644115091
Energy: 0.5819373682280029
Energy: 0.6194203504306233
Energy: 0.576227214120977
Energy: 0.5789061617246111
Energy: 0.5723896419464288
Energy: 0.5786814306509872
Energy: 0.5788311510709514
Energy: 0.583430834730398
Energy: 0.5776024699258009
Energy: 0.5773004162421199
Energy: 0.5780693431310602
Energy: 0.5780894669139163
Energy: 0.5767386147926378
Energy: 0.5778374483202526
Energy: 0.5719188444369624
Energy: 0.5721135518914977
Energy: 0.5825322904586793
Energy: 0.573025512106756
Energy: 0.5721036403524791
Energy: 0.577169774236214
Energy: 0.574316823994037
Energy: 0.5732702705929437
Energy: 0.5744432967919875
Energy: 0.5762114779325083
Energy: 0.5730489087104164
Energy: 0.5776055535529304
Energy: 0.5678699598506799
Energy: 0.5828165575730054
Energy: 0.5723315354861976
Energy: 0.5737589552606666
Energy: 0.5823870966046673
Energy: 0.6276830219205122
Energy: 0.5733622030726058
Energy: 0.5742522717233363
Energy: 0.5742982888641258
Energy: 0.5732730104403868
Energy: 0.5742118611833879
Energy: 0.6100841425989917
Energy: 0.5690704558347722
Energy: 0.5698802261164189
Energy: 0.5762992137692285
Energy: 0.569026478763357
Energy: 0.5763607491679031
Energy: 0.618533953691271
Energy: 0.5687605612574769
Energy: 0.5690876211966461
Energy: 0.5760834475765295
Energy: 0.5698801084595347
Energy: 0.5733628155766496
Energy: 0.629051529549751
Energy: 0.5706139853390149
Energy: 0.5697170507510771
Energy: 0.5691556574201007
Energy: 0.5740581081019914
Energy: 0.5694106029659176
Energy: 0.6141346273499023
Energy: 0.5853920848791877
Energy: 0.5817879924726742
Energy: 0.5824754070258705
Energy: 0.5833312883289447
Energy: 0.5813805533026672
Energy: 0.6132805872121102
Energy: 0.5814015978071252
Energy: 0.5771486306993321
Energy: 0.5714776858209286
Energy: 0.5807141348916537
Energy: 0.5727676925697773
Energy: 0.6059248673361678
Energy: 0.5777572115266799
Energy: 0.5768173585338396
Energy: 0.569739015572755
Energy: 0.5790068011869307
Energy: 0.5767491445344615
Energy: 0.6174334605492773
Energy: 0.5725920533491416
Energy: 0.5724090764344691
Energy: 0.572597679165327
Energy: 0.573046149292483
Energy: 0.5823890067240519
Energy: 0.5975856164413585
Energy: 0.5754050879775295
Energy: 0.5679452469507308
Energy: 0.5725702332159406
Energy: 0.5746642867243071
Energy: 0.5690325187850985
Energy: 0.5999080564539261
Energy: 0.5775236809617539
Energy: 0.5771956318188609
Energy: 0.5833431710926846
Energy: 0.578298027302583
Energy: 0.5773217453021019
Energy: 0.5995465186687837
Energy: 0.5733671494486001
Energy: 0.5737156410118395
Energy: 0.5770863360406022
Energy: 0.5821604649423238
Energy: 0.5921315294952362
Energy: 0.5993744225611685
Energy: 0.5776943300616433
Energy: 0.5774064927908291
Energy: 0.5817776024165312
Energy: 0.5942384113128105
Energy: 0.5846736405004143
Energy: 0.6000046732807354
Energy: 0.5776012675737864
Energy: 0.5770516293957917
Energy: 0.580792475983386
Energy: 0.5784305047874602
Energy: 0.5775883951648019
Energy: 0.6123802806774863
Energy: 0.5829638592467916
Energy: 0.5830364824120224
Energy: 0.5728971040178044
Energy: 0.5824585425902465
Energy: 0.5826112188426025

minimum gb energy = 0.5678699598506799 eV
minimum distance =  3.19677235212724 Angstroms
sigma value = 27


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

Energy: 0.8995467920026439
Energy: 0.8436196528656292
Energy: 0.5579052905956868
Energy: 0.5574832773980254
Energy: 0.5755144841130706
Energy: 0.5578321273106253
Energy: 0.6253035411361151
Energy: 0.5626251881183317
Energy: 0.5619882455960802
Energy: 0.5659173245435328
Energy: 0.5630495329709257
Energy: 0.5617271511524723
Energy: 0.5895634918373597
Energy: 0.5717607819512563
Energy: 0.5716647100647608
Energy: 0.5777571914309938
Energy: 0.5763798619173239
Energy: 0.5780237790213786
Energy: 0.5902033634355652
Energy: 0.5622808296270717
Energy: 0.5619965954520789
Energy: 0.5813166524491014
Energy: 0.5627569224323289
Energy: 0.5618945642431195
Energy: 0.5801752585804657
Energy: 0.5615253828616515
Energy: 0.5612482502335714
Energy: 0.5609341320588311
Energy: 0.5620830053968708
Energy: 0.5613809868669845
Energy: 0.5883145654587352
Energy: 0.5757051461160216
Energy: 0.5747125487266022
Energy: 0.5801114600030396
Energy: 0.5747601772317497
Energy: 0.5745939045507187
Energy: 0.5848847949620307
Energy: 0.5719201205804705
Energy: 0.5711828605549173
Energy: 0.5715999245530526
Energy: 0.5733708903613315
Energy: 0.5705860729381707
Energy: 0.605838373745324
Energy: 0.578067972338248
Energy: 0.5766608098104762
Energy: 0.5790054654631833
Energy: 0.5807421590763757
Energy: 0.5762159975958862
Energy: 0.6057267786277905
Energy: 0.5784175160154734
Energy: 0.5785348635705766
Energy: 0.578173367618038
Energy: 0.5761098625199043
Energy: 0.5786258358506831
Energy: 0.6059647040417317
Energy: 0.5685224579600476
Energy: 0.5684897450327674
Energy: 0.5800280672333025
Energy: 0.5692183549129902
Energy: 0.5799528546902115
Energy: 0.6058933766761765
Energy: 0.5776027931684362
Energy: 0.5765445907190168
Energy: 0.578234723043323
Energy: 0.5609612500475083
Energy: 0.5761803956957323
Energy: 0.6095722525154056
Energy: 0.5736037675626398
Energy: 0.5739971392725588
Energy: 0.5771986227125222
Energy: 0.5743284350691406
Energy: 0.5741558537483527
Energy: 0.6136791008190211
Energy: 0.5752584884189357
Energy: 0.5751393293453572
Energy: 0.5756830110365521
Energy: 0.5756537664880679
Energy: 0.5750412601141262
Energy: 0.6138667791781892
Energy: 0.5755299251652699
Energy: 0.5750044813855232
Energy: 0.5797260097406539
Energy: 0.5767463929529111
Energy: 0.5753598764004754
Energy: 0.6135845348593524
Energy: 0.5713221639885491
Energy: 0.5705667578506121
Energy: 0.5793850572759145
Energy: 0.5702467268013937
Energy: 0.5704845583631899
Energy: 0.5906845262927111
Energy: 0.5808571942528955
Energy: 0.578118011667667
Energy: 0.5812833185742639
Energy: 0.5729371341581141
Energy: 0.5779410737260972
Energy: 0.5802463207802366
Energy: 0.5752944358836727
Energy: 0.5653510241708051
Energy: 0.577924834641202
Energy: 0.5759757670619259
Energy: 0.564838229342133
Energy: 0.5892417141825934
Energy: 0.5746744429231605
Energy: 0.5745578472407762
Energy: 0.5748876542533891
Energy: 0.5755832279968001
Energy: 0.574438442260932
Energy: 0.5921041568107668
Energy: 0.5783794230889953
Energy: 0.5772802320516899
Energy: 0.5801973420912566
Energy: 0.5766321511290269
Energy: 0.5770552882349319
Energy: 0.5890169333807207
Energy: 0.5784212155290851
Energy: 0.5772895404128341
Energy: 0.5743290642649519
Energy: 0.576579651311869
Energy: 0.5732829987886374
Energy: 0.5892298153896576
Energy: 0.5748768837385686
Energy: 0.5746693540086121
Energy: 0.5779495084727058
Energy: 0.5751319822445163
Energy: 0.5746720470622201
Energy: 0.5799298185435604
Energy: 0.566602836187391
Energy: 0.5656052452212382
Energy: 0.5725137239581141
Energy: 0.5679935547207808
Energy: 0.5659435211199048
Energy: 0.5894256501960939
Energy: 0.5663672970280099
Energy: 0.5662806335926108
Energy: 0.5747469329471523
Energy: 0.5782640845938277
Energy: 0.5745227541770574
Energy: 0.589139776012628
Energy: 0.5816804395016505
Energy: 0.5709030960293395
Energy: 0.5794516331865025
Energy: 0.5812698271947117
Energy: 0.5844573902721458
Energy: 0.5974215413426742
Energy: 0.563164644714238
Energy: 0.5627965183019451
Energy: 0.5781118154242939
Energy: 0.5643004728459315
Energy: 0.573805981116265

minimum gb energy = 0.5574832773980254 eV
minimum distance =  3.18749890591094 Angstroms
sigma value = 19


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

Energy: 0.5965124184219982
Energy: 0.5539169052651681
Energy: 0.555625871658241
Energy: 0.5532438007927023
Energy: 0.5584634708286091
Energy: 0.551977124829858
Energy: 0.6115705318721156
Energy: 0.5585274936205409
Energy: 0.5642436152624606
Energy: 0.5603354660807702
Energy: 0.5585995714259742
Energy: 0.5643665088487204
Energy: 0.5791055047214113
Energy: 0.5606925432666053
Energy: 0.5588333004924575
Energy: 0.5564149812577376
Energy: 0.5602008374703601
Energy: 0.5587242470951056
Energy: 0.5802730501638607
Energy: 0.5643460361564823
Energy: 0.5649249857827457
Energy: 0.5591735376698701
Energy: 0.5643252822840978
Energy: 0.5644969430720579
Energy: 0.5940687704367943
Energy: 0.5560392421048576
Energy: 0.5564803757993337
Energy: 0.5546474598999226
Energy: 0.5603003051904387
Energy: 0.5561205035164767
Energy: 0.5800939290546857
Energy: 0.5637638050181637
Energy: 0.5648919667578608
Energy: 0.5520423541104539
Energy: 0.5641240064514549
Energy: 0.5644497255511997
Energy: 0.5822934265565358
Energy: 0.5539537464250937
Energy: 0.5523043082435615
Energy: 0.5466049653985132
Energy: 0.5554021448518324
Energy: 0.5531558446782442
Energy: 0.5782210830896644
Energy: 0.5561938646748291
Energy: 0.5640627422489268
Energy: 0.5586561725342555
Energy: 0.5558486213575936
Energy: 0.5590025016096829
Energy: 0.5770093040838508
Energy: 0.5589591493170577
Energy: 0.5604077903651482
Energy: 0.5619961121139296
Energy: 0.5568453889790411
Energy: 0.5607229087603934
Energy: 0.5754679462797709
Energy: 0.5575824799403069
Energy: 0.5567979145468258
Energy: 0.5616092278246431
Energy: 0.5573304512125259
Energy: 0.5569511284274029
Energy: 0.5777194773152262
Energy: 0.553590230211411
Energy: 0.5505277824502973
Energy: 0.5594876395456274
Energy: 0.553534936988831
Energy: 0.5507966788576321
Energy: 0.5892773487283975
Energy: 0.5594924637510765
Energy: 0.5598994892426842
Energy: 0.5604818688520455
Energy: 0.5532761855926212
Energy: 0.5598658096226401
Energy: 0.5812427836019428
Energy: 0.5641774175702
Energy: 0.5502121939055283
Energy: 0.556294836682672
Energy: 0.564572254236825
Energy: 0.5506319464650394
Energy: 0.5938845509090345
Energy: 0.5575902326505556
Energy: 0.5572989439244321
Energy: 0.5493846721647965
Energy: 0.5572700765764271
Energy: 0.5568405626126592
Energy: 0.5881104318387047
Energy: 0.5517696700215473
Energy: 0.5520425760342258
Energy: 0.5514600088800712
Energy: 0.5547981460777099
Energy: 0.5522861636944087
Energy: 0.5912511641243604
Energy: 0.5505076299981767
Energy: 0.5505934363070785
Energy: 0.5507228690790382
Energy: 0.5553785663139147
Energy: 0.550804360352065
Energy: 0.5782858914603514
Energy: 0.5558426532594303
Energy: 0.5597970303325148
Energy: 0.5557434296152247
Energy: 0.5569311172818465
Energy: 0.5601897694882332
Energy: 0.5838530098720003
Energy: 0.5520329560719252
Energy: 0.5544913552636905
Energy: 0.552154657320236
Energy: 0.5510499701035324
Energy: 0.555170058157244
Energy: 0.5851931054116143
Energy: 0.5507258443554491
Energy: 0.5594126374650341
Energy: 0.5542642201465956
Energy: 0.5507728243617096
Energy: 0.5539381904986052
Energy: 0.5628528701303849
Energy: 0.5507817338226645
Energy: 0.5594514389409776
Energy: 0.5545905199708523
Energy: 0.550754234648277
Energy: 0.5557489169664533
Energy: 0.5689427788145544
Energy: 0.5517702746203009
Energy: 0.5567925916552211
Energy: 0.5509257627402595
Energy: 0.5514684855473991
Energy: 0.5566596365866412
Energy: 0.567038114523388
Energy: 0.5612239035801553
Energy: 0.5602913415046468
Energy: 0.5519249816319352
Energy: 0.5604807138541807
Energy: 0.5603442386350552
Energy: 0.567652100775741
Energy: 0.5546288220003079
Energy: 0.5543908401088514
Energy: 0.5571233872173472
Energy: 0.5544423286203548
Energy: 0.5503764135860707
Energy: 0.5802267545533846
Energy: 0.5549482545270784
Energy: 0.5516503316614453
Energy: 0.5626014368584751
Energy: 0.5501293413148164
Energy: 0.551066871310571
Energy: 0.5786812103683162
Energy: 0.56218446472533
Energy: 0.5608165655595122
Energy: 0.5606891729847816
Energy: 0.5518926454227369
Energy: 0.5605230437156639
Energy: 0.5816109839995989
Energy: 0.55151694880343
Energy: 0.5515531427894634
Energy: 0.5592538356672548
Energy: 0.5512631781558808
Energy: 0.5600767971893624
Energy: 0.5805932720853186
Energy: 0.5568812623272898
Energy: 0.5567954793004969
Energy: 0.5571288024625197
Energy: 0.5567867166549397
Energy: 0.5569756369057777
Energy: 0.5792715916093498
Energy: 0.5607549468015941
Energy: 0.560441530209182
Energy: 0.5591470104883552
Energy: 0.5601213532053335
Energy: 0.5641988792790088
Energy: 0.5830493645411248
Energy: 0.561539645011366
Energy: 0.5677508637802062
Energy: 0.5506120630593826
Energy: 0.559278826965125
Energy: 0.5490488411094818

minimum gb energy = 0.5466049653985132 eV
minimum distance =  3.20568770670655 Angstroms
sigma value = 101


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

Energy: 0.8582916577614959
Energy: 0.5318595052464596
Energy: 0.5343544241359914
Energy: 0.5165871790154493
Energy: 0.536511171707103
Energy: 0.5170853152889088
Energy: 0.5754348402503523
Energy: 0.533142503249176
Energy: 0.5326459239940349
Energy: 0.5326643619282662
Energy: 0.5265065307233925
Energy: 0.5323474092401305
Energy: 0.5757682242468855
Energy: 0.5315263625089359
Energy: 0.5263452687312001
Energy: 0.5302174005413504
Energy: 0.5327921413236897
Energy: 0.5270790159651819
Energy: 0.558587577449862
Energy: 0.5331723432932479
Energy: 0.53189367901002
Energy: 0.5325520168746921
Energy: 0.5330988238332015
Energy: 0.5316258710567929
Energy: 0.5586274060725954
Energy: 0.5286036045079925
Energy: 0.5292781026976351
Energy: 0.5298091677754245
Energy: 0.5303125182016074
Energy: 0.5368204236921589
Energy: 0.5566970621479495
Energy: 0.5334571940033933
Energy: 0.532295966169872
Energy: 0.5325294932438366
Energy: 0.5328052559816968
Energy: 0.5321814737476258
Energy: 0.5498553946055529
Energy: 0.5294728175215108
Energy: 0.5251605543042517
Energy: 0.5325353548969559
Energy: 0.5296896156489688
Energy: 0.5252677346976401
Energy: 0.5593545252971179
Energy: 0.5335499370399232
Energy: 0.5330551163463093
Energy: 0.5262758228284845
Energy: 0.5299775693664567
Energy: 0.532751487444025
Energy: 0.5465418478805355
Energy: 0.5268876413251989
Energy: 0.5311075315217391
Energy: 0.531320904452401
Energy: 0.5260254827496459
Energy: 0.5313040629049136
Energy: 0.5463891023331194
Energy: 0.5324524169270596
Energy: 0.5315896304349599
Energy: 0.5313832044806831
Energy: 0.5314516987896428
Energy: 0.5317046574588005
Energy: 0.5578443876871256
Energy: 0.5157491570172729
Energy: 0.5156512759190454
Energy: 0.5262484967906657
Energy: 0.529524525065539
Energy: 0.5152468809212835
Energy: 0.5664699887312087
Energy: 0.533419938949937
Energy: 0.5322808908610859
Energy: 0.5325824350389892
Energy: 0.532151922603037
Energy: 0.5318644651935283
Energy: 0.5554144645415632
Energy: 0.5268907111714222
Energy: 0.5290860494118794
Energy: 0.529150910123531
Energy: 0.5259524344298007
Energy: 0.5262050153690742
Energy: 0.5555461761324768
Energy: 0.5331643881620788
Energy: 0.5332633843905837
Energy: 0.5289407534258607
Energy: 0.5322686934615711
Energy: 0.533025539470276
Energy: 0.566490126678384
Energy: 0.5334028329734264
Energy: 0.534462592243486
Energy: 0.530396595580375
Energy: 0.5365544109779322
Energy: 0.5356897476462057
Energy: 0.5751700851139342
Energy: 0.5332979885806438
Energy: 0.5321999877627642
Energy: 0.5323466828474647
Energy: 0.5305270073484181
Energy: 0.5319037307959678
Energy: 0.5532422265699287
Energy: 0.5384169266665985
Energy: 0.5305428218372182
Energy: 0.5278212195423587
Energy: 0.539239667551677
Energy: 0.5266086314734155
Energy: 0.5848306764188466
Energy: 0.5265766828744974
Energy: 0.5264278311503369
Energy: 0.5301601460832597
Energy: 0.5263235747221588
Energy: 0.5302027472151287
Energy: 0.57522107564999
Energy: 0.5338901225447744
Energy: 0.5331325731482418
Energy: 0.5268459749273967
Energy: 0.5309535771865325
Energy: 0.5332006132513398
Energy: 0.5593000463861096
Energy: 0.5335005475318197
Energy: 0.5323622479555278
Energy: 0.5265813504351494
Energy: 0.533349119017468
Energy: 0.5321085793682607
Energy: 0.5586056946478716
Energy: 0.5262634901100984
Energy: 0.5268492474324943
Energy: 0.5304361249441332
Energy: 0.5264647709025022
Energy: 0.5301002940489061
Energy: 0.5575532820869464
Energy: 0.5330524772722698
Energy: 0.5319827515072268
Energy: 0.5308159289755668
Energy: 0.5325114283412349
Energy: 0.5319611640141867
Energy: 0.5534161326773369
Energy: 0.5294673454719236
Energy: 0.5293767835594914
Energy: 0.532564816468679
Energy: 0.5297029206758423
Energy: 0.529525497984898
Energy: 0.560024185002761
Energy: 0.530337226492519
Energy: 0.5308866802300487
Energy: 0.5261838752002576
Energy: 0.53005682239403
Energy: 0.5265188288215681
Energy: 0.5465341700323348
Energy: 0.5334111361409924
Energy: 0.5326002051753944
Energy: 0.5303555559669854
Energy: 0.5269904829832444
Energy: 0.5325355861852907
Energy: 0.5465389504806051
Energy: 0.5330161350390245
Energy: 0.5320184873804561
Energy: 0.5311697116221002
Energy: 0.532183353186428
Energy: 0.5319540251366195
Energy: 0.5632963149118331
Energy: 0.5284087740191121
Energy: 0.5338761352740383
Energy: 0.5308756078302488
Energy: 0.5282799253066844
Energy: 0.5314306249570749
Energy: 0.5669041432558285
Energy: 0.5330195649747687
Energy: 0.5320082497869145
Energy: 0.5305631155306748
Energy: 0.528709243453489
Energy: 0.5333186098322877
Energy: 0.556880645609283
Energy: 0.530629234455006
Energy: 0.533056035685728
Energy: 0.5290049599549006
Energy: 0.5303973287635729
Energy: 0.5332969928546498
Energy: 0.557591506497145
Energy: 0.5354685228390712
Energy: 0.5330887396720098
Energy: 0.5293517470525417
Energy: 0.5305818062467623
Energy: 0.5334019209592508
Energy: 0.5662395821188723
Energy: 0.5346370606433978
Energy: 0.5333333760025298
Energy: 0.532325193640949
Energy: 0.531452249234879
Energy: 0.5328637953897565
Energy: 0.5752872829940479
Energy: 0.5335606188965683
Energy: 0.5323229820275509
Energy: 0.532569417436039
Energy: 0.5305646865447199
Energy: 0.5318776524636617
Energy: 0.5535883443187012
Energy: 0.5262788902977608
Energy: 0.5308121965135028
Energy: 0.5328607037094578
Energy: 0.5261072256904916
Energy: 0.5306265128499198

minimum gb energy = 0.5152468809212835 eV
minimum distance =  3.20025875108008 Angstroms
sigma value = 33


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

Energy: 0.004452802907592293
Energy: 0.5961872005058085
Energy: 0.004684400668087083
Energy: 0.00520995735697493
Energy: 0.5972743998720301
Energy: 0.004661339629696005
Energy: 0.24035766242383852
Energy: 0.061041129657408315
Energy: 0.060432895162642435
Energy: 0.061994773285251194
Energy: 0.061692069411256704
Energy: 0.060410030365174824
Energy: 0.785850914737475
Energy: 0.5974328819301988
Energy: 0.5969306146586292
Energy: 0.5967355881852856
Energy: 0.5995827212764377
Energy: 0.5992921194523
Energy: 0.00473396513528035
Energy: 0.061041129657408315
Energy: 0.060432895162642435
Energy: 0.06199477328570992
Energy: 0.061692069411256704
Energy: 0.060410030364938916

minimum gb energy = 0.004452802907592293 eV
minimum distance =  3.46133551278517 Angstroms
sigma value = 1