Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52732940018177
cohesive_energy=4.194297203762934
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9900956406240796e-19, 2.7580509448329597e-19, 3.34467189760572e-19, 3.8233862540785794e-19, 4.2264778734266397e-19, 4.57299663582816e-19, 4.877330087456459e-19, 5.144044431718439e-19, 5.3788273956648e-19, 5.58610098680538e-19, 5.76916568900622e-19, 5.93048885428368e-19, 6.07218535579464e-19, 6.19606565313552e-19, 6.30483742481778e-19, 6.3988531497009e-19, 6.47894595963456e-19, 6.54604511706648e-19, 6.600983753846339e-19, 6.64457898005748e-19, 6.67806447170808e-19, 6.70137614173278e-19, 6.715026686654459e-19, 6.71948073769698e-19, 6.71467420779498e-19, 6.699133094445179e-19, 6.6713833951443e-19, 6.62889367081062e-19, 6.56865182937222e-19, 6.487277278131359e-19, 6.38070048843768e-19, 6.24449945278134e-19, 6.07255385642046e-19, 5.85706109914746e-19, 5.58874457825148e-19, 5.25860006104944e-19, 4.850926216528139e-19, 4.34644885978056e-19, 3.7214878201561796e-19, 2.9451050668524597e-19, 1.9781754464671198e-19, 7.67005213464918e-20, -7.62922867401486e-20, -2.71322204261364e-19, -5.22400906752138e-19, -8.503568506721339e-19, -1.285544874529116e-18, -1.87523559773262e-18, -2.69457270659388e-18, -3.87000959412798e-18, -5.6260432502909996e-18, -8.3936431678626e-18, -1.3095887392755539e-17, -2.2005735850326596e-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: 0.01698966556592632
Energy: 0.9956423932159966
Energy: 0.017529051307272604
Energy: 0.01743727868004208
Energy: 0.996248675109943
Energy: 0.017364367103872992
Energy: 0.9956423932240485
Energy: 0.19335765844345326
Energy: 0.1936510930139777
Energy: 0.19335318917567118
Energy: 0.19307418011976715
Energy: 0.1937288982612708
Energy: 0.017529051303063713
Energy: 0.19365109301492928
Energy: 0.19361477441146638
Energy: 0.017164702861139
Energy: 0.19306870914861016
Energy: 0.19306308654661244
Energy: 0.017437278681981822
Energy: 0.19335318917600058
Energy: 0.01716470286564068
Energy: 0.0174482301807027
Energy: 0.19326126591686302
Energy: 0.017423016826763074
Energy: 0.9962486750938395
Energy: 0.193074180117498
Energy: 0.19306870914538943
Energy: 0.19326126591525267
Energy: 0.19305119854241468
Energy: 0.19304379810602176
Energy: 0.01736436710292142
Energy: 0.19372889826028264
Energy: 0.19306308654372112
Energy: 0.017423016829983786
Energy: 0.193043798104082
Energy: 0.017208112354602775

minimum gb energy = 0.01698966556592632 eV
minimum distance =  2.49240865182844 Angstroms
sigma value = 1


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

Energy: 2.766267373756726
Energy: 1.4139096174975987
Energy: 1.4213733904664358
Energy: 1.5444586214870597
Energy: 1.4931930509883482
Energy: 1.4317463501538727
Energy: 2.39330396074729
Energy: 1.4372389237616707
Energy: 1.437170991750802
Energy: 1.4260821351885564
Energy: 1.4416263903359545
Energy: 1.4351447716138441
Energy: 2.2360318630050835
Energy: 1.443469583322506
Energy: 1.4371757957334248
Energy: 1.4920748653854117
Energy: 1.4446762230456887
Energy: 1.4372239178317687
Energy: 2.622993122208462
Energy: 1.44682475448415
Energy: 1.4930425030031331
Energy: 1.4973271497146725
Energy: 1.417182624694252
Energy: 1.4949515427433824
Energy: 2.3920271812567875
Energy: 1.4416207397292538
Energy: 1.4381143423496328
Energy: 1.4305983076851438
Energy: 1.4376695458423296
Energy: 1.4369595959038646
Energy: 2.3605868543730852
Energy: 1.438637322447374
Energy: 1.4889385930148973
Energy: 1.485487794824285
Energy: 1.4392485525541465
Energy: 1.4916192122774556
Energy: 2.350899499522076
Energy: 1.4858824042752246
Energy: 1.485574899230134
Energy: 1.490169681462177
Energy: 1.4969521148480094
Energy: 1.4867749203033105
Energy: 2.192472903218043
Energy: 1.4887083192213948
Energy: 1.4901594332741364
Energy: 1.437650675533049
Energy: 1.4884839964042014
Energy: 1.4852535521262482
Energy: 1.916324050992704
Energy: 1.4912015857528245
Energy: 1.4936954252375392
Energy: 1.439657476263836
Energy: 1.4850716960882944
Energy: 1.4940615557181605
Energy: 1.9133637332768405
Energy: 1.4350141585292995
Energy: 1.4381391221948032
Energy: 1.4366648070136843
Energy: 1.4346009033388154
Energy: 1.439077622157734
Energy: 1.7729199622497722
Energy: 1.4908544691410859
Energy: 1.4906996789801565
Energy: 1.416797857734045
Energy: 1.4912551353830095
Energy: 1.4741127775306295
Energy: 1.6075878171648177
Energy: 1.4351896200067837
Energy: 1.4355196585766166
Energy: 1.4447286887243962
Energy: 1.4888243938182495
Energy: 1.4366210289277537
Energy: 1.6071808677417818
Energy: 1.4271284254002632
Energy: 1.4345202493226268
Energy: 1.4383004897845162
Energy: 1.4335233149878104
Energy: 1.4351292997515266
Energy: 1.726240231759007
Energy: 1.449228155937783
Energy: 1.4502397262638003
Energy: 1.4456919163799142
Energy: 1.4476433329759442
Energy: 1.4453922131340688
Energy: 1.6974214099647449
Energy: 1.437677003541408
Energy: 1.4369314893724303
Energy: 1.441941284793053
Energy: 1.426333554696517
Energy: 1.4372845355610904
Energy: 1.698323927678928
Energy: 1.493721193051069
Energy: 1.4942931258247554
Energy: 1.4417249097027658
Energy: 1.4933873809617852
Energy: 1.4956241126691552
Energy: 2.196208552112009
Energy: 1.48244779926196
Energy: 1.4825478954974216
Energy: 1.447403418667829
Energy: 1.48247848686703
Energy: 1.4892286119704476
Energy: 2.148555084499827
Energy: 1.4953588571113139
Energy: 1.4955737559093232
Energy: 1.4938186491176675
Energy: 1.48865383839024
Energy: 1.4956108723123551
Energy: 2.1473757488107137
Energy: 1.494352528511618
Energy: 1.4954560609907686
Energy: 1.4891519553047659
Energy: 1.49397719970622
Energy: 1.4948347303753873
Energy: 2.235911048162815
Energy: 1.4949028678527272
Energy: 1.4958153701651848
Energy: 1.4912597341825808
Energy: 1.4885064429235897
Energy: 1.4946060472157385
Energy: 2.452744908389071
Energy: 1.4950589860824395
Energy: 1.491462150464001
Energy: 1.4701735210232152
Energy: 1.466142090527023
Energy: 1.4905104022918265
Energy: 1.31287230895938
Energy: 1.4899433125184138
Energy: 1.489484333789976
Energy: 1.489524517709406
Energy: 1.4424426459885906
Energy: 1.4947209497031952
Energy: 2.46523216001123
Energy: 1.436894541583227
Energy: 1.4360926625219892
Energy: 1.3775888956291502
Energy: 1.43968915729462
Energy: 1.4347877776032436

minimum gb energy = 1.31287230895938 eV
minimum distance =  2.31885731135194 Angstroms
sigma value = 33


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

Energy: 3.4555994955139364
Energy: 1.5643194976963242
Energy: 1.5957207522720054
Energy: 1.6495002451609695
Energy: 1.5516999212198297
Energy: 1.6245463226373822
Energy: 1.5948353633252614
Energy: 1.60205270171441
Energy: 1.55975226027264
Energy: 1.5493274572691862
Energy: 1.6326071275807899
Energy: 1.5590885987817107
Energy: 1.5339566151228337
Energy: 1.6234407421935975
Energy: 1.6120859221396582
Energy: 1.588584717946311
Energy: 1.5710487343473272
Energy: 1.611342313813499
Energy: 2.574305546029164
Energy: 1.6490014229999939
Energy: 1.569895350601123
Energy: 1.5344870552755112
Energy: 1.6423720664424868
Energy: 1.5387861093037347
Energy: 2.2658778498665004
Energy: 1.5597576101193378
Energy: 1.5668817897899079
Energy: 1.5477276441009504
Energy: 1.5363758888422772
Energy: 1.5675264544295158
Energy: 2.469865320238311
Energy: 1.5421054402582035
Energy: 1.5651864931610442
Energy: 1.5519642573171972
Energy: 1.5932340583033655
Energy: 1.5496005139650677
Energy: 2.471028235348958
Energy: 1.5669107679247127
Energy: 1.5660946159769935
Energy: 1.5513755170671186
Energy: 1.5862425201258052
Energy: 1.5505524848522096
Energy: 2.1570358515915053
Energy: 1.5940377437077873
Energy: 1.5945335434374197
Energy: 1.6142933373594757
Energy: 1.5941892920019736
Energy: 1.593841379787256
Energy: 1.9936402213568427
Energy: 1.5837411625543436
Energy: 1.5504351144837079
Energy: 1.5645802366119017
Energy: 1.5864815990308727
Energy: 1.55170429152705
Energy: 1.9816217661358588
Energy: 1.5351868376500688
Energy: 1.5377909171806994
Energy: 1.5212053119487032
Energy: 1.5356325800123574
Energy: 1.5394192036215952
Energy: 1.8454505639798775
Energy: 1.5268978686901022
Energy: 1.5818384488596724
Energy: 1.5637961335387953
Energy: 1.5266155245467707
Energy: 1.580827285779894
Energy: 1.7286051122495731
Energy: 1.552585207856959
Energy: 1.5378570876796334
Energy: 1.5735697609677188
Energy: 1.5524966347780602
Energy: 1.5380235712454362
Energy: 1.7274085648164406
Energy: 1.5770824944295632
Energy: 1.5754686751763032
Energy: 1.5649671516509458
Energy: 1.5720591899145908
Energy: 1.5770451699515204
Energy: 1.8428932341415267
Energy: 1.5433628190902162
Energy: 1.5423700298696754
Energy: 1.5927106330827965
Energy: 1.5325331503007897
Energy: 1.546309651035128
Energy: 1.9031434695080958
Energy: 1.548921127917582
Energy: 1.574883981523463
Energy: 1.4826674927038301
Energy: 1.5662350082864576
Energy: 1.5777421634793392
Energy: 1.9059287490916028
Energy: 1.5234965780301313
Energy: 1.5233149178978986
Energy: 1.5600355169860367
Energy: 1.523841899414557
Energy: 1.523114108048776
Energy: 2.2490450291490123
Energy: 1.522339426104879
Energy: 1.5216089436693179
Energy: 1.5653293443893002
Energy: 1.5242069709175725
Energy: 1.5214746430273216
Energy: 2.283729490484528
Energy: 1.5218754021613476
Energy: 1.5287457602930081
Energy: 1.5878903112220166
Energy: 1.5228586173375418
Energy: 1.5947420825187315
Energy: 2.2836090347290834
Energy: 1.522245323847398
Energy: 1.5270670546195033
Energy: 1.5870544392206374
Energy: 1.5226501251843783
Energy: 1.5241681319540363
Energy: 2.135535881084761
Energy: 1.5636544057804462
Energy: 1.5695646623328725
Energy: 1.5700640036145785
Energy: 1.5722497135930593
Energy: 1.5699815517587046
Energy: 2.722770544127604
Energy: 1.596700745815946
Energy: 1.5671146441090684
Energy: 1.5707819593787051
Energy: 1.575969263043551
Energy: 1.5734910575819265
Energy: 2.1369354040113873
Energy: 1.5640034746481464
Energy: 1.5629432596992483
Energy: 1.5699977105508327
Energy: 1.5892567993644804
Energy: 1.5700682398253334
Energy: 2.137055252889078
Energy: 1.5248392601140557
Energy: 1.5233644578575773
Energy: 1.5216076067125677
Energy: 1.5440997964926146
Energy: 1.524058102077177
Energy: 2.574084701456578
Energy: 1.5431661397850627
Energy: 1.5271293638061942
Energy: 1.489460974180923
Energy: 1.544224823832508
Energy: 1.5405274890711655
Energy: 2.1375037209742445
Energy: 1.5253440766828672
Energy: 1.523224718754404
Energy: 1.521079764767766
Energy: 1.5439273371317082
Energy: 1.5237720225177966
Energy: 2.2683951527408683
Energy: 1.542098851652119
Energy: 1.5467460549189973
Energy: 1.5804728739587983
Energy: 1.5848399623872957
Energy: 1.6160482245954253
Energy: 2.45891192659472
Energy: 1.5600301546439188
Energy: 1.5605913564199276
Energy: 1.5481435459443469
Energy: 1.577192321117324
Energy: 1.5604444918280203
Energy: 2.16924725473365
Energy: 1.588002212078916
Energy: 1.5886113438774974
Energy: 1.5939881274817804
Energy: 1.5839930707813514
Energy: 1.581330089471464
Energy: 1.9915156719153821
Energy: 1.58814813288445
Energy: 1.594835139093701
Energy: 1.6106233677233996
Energy: 1.5848120174069888
Energy: 1.5812952820897772
Energy: 1.9856136677616265
Energy: 1.5336985994744112
Energy: 1.5344323363449124
Energy: 1.5223129223635676
Energy: 1.534835125460309
Energy: 1.5256702276324896
Energy: 1.5260009237778567
Energy: 1.5534558231656006
Energy: 1.5463691291998352
Energy: 1.528023433842092
Energy: 1.5468598117580135
Energy: 1.546814937322021
Energy: 1.7273313786010502
Energy: 1.5527633443560227
Energy: 1.5530465959547404
Energy: 1.5764767177913306
Energy: 1.5523300959476383
Energy: 1.53884840708386
Energy: 1.7268338633300089
Energy: 1.5618595100944386
Energy: 1.5624099459263128
Energy: 1.5221539481147381
Energy: 1.5634611175332271
Energy: 1.522235328686866
Energy: 1.7278577580972412
Energy: 1.5318787795520805
Energy: 1.5430454950303505
Energy: 1.6112050976272831
Energy: 1.5294223181420774
Energy: 1.5438186075559404
Energy: 1.9259602104601141
Energy: 1.5628537347580542
Energy: 1.5508301228002106
Energy: 1.566306316360911
Energy: 1.560688747680743
Energy: 1.5504568142817572
Energy: 1.924007402063372
Energy: 1.5808277402065811
Energy: 1.5838649282118415
Energy: 1.6175200595606654
Energy: 1.5284491486182876
Energy: 1.5823634790287406
Energy: 1.921780978713462
Energy: 1.582504794762865
Energy: 1.5829262299001285
Energy: 1.6196631682401232
Energy: 1.5823604328596135
Energy: 1.5875420948368746
Energy: 2.2842149172357757
Energy: 1.623021794360486
Energy: 1.6200044877271982
Energy: 1.5877556185920165
Energy: 1.6283466055331397
Energy: 1.572884667497965
Energy: 2.2837284858081306
Energy: 1.6142292471820465
Energy: 1.623962350431504
Energy: 1.595750110258177
Energy: 1.5631908374277712
Energy: 1.595156823664666
Energy: 2.2657905802565703
Energy: 1.6038156607422382
Energy: 1.6117863169579703
Energy: 1.5500210726716228
Energy: 1.62229840291566
Energy: 1.6136883750250253
Energy: 2.595025353375821
Energy: 1.5408692887064943
Energy: 1.5402236662734974
Energy: 1.5467705910041767
Energy: 1.5849918080801664
Energy: 1.545983780318275

minimum gb energy = 1.4826674927038301 eV
minimum distance =  2.32068623976858 Angstroms
sigma value = 51


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

Energy: 2.8414442029297526
Energy: 1.6562247813757371
Energy: 1.6325491175800506
Energy: 1.483306747704656
Energy: 1.6664048142366936
Energy: 1.4825206392266146
Energy: 2.1291523390709863
Energy: 1.5968033202720444
Energy: 1.592088009496015
Energy: 1.5145522453829314
Energy: 1.5888471268333175
Energy: 1.5125758048925257
Energy: 2.4785329932997264
Energy: 1.5884357119089922
Energy: 1.587497348078775
Energy: 1.5134085652161373
Energy: 1.590503983082024
Energy: 1.5846584160724502
Energy: 2.4775156933213336
Energy: 1.5929664299198163
Energy: 1.5940208706897459
Energy: 1.511592570129637
Energy: 1.594229568917009
Energy: 1.5032621065824607
Energy: 1.5158822505650396
Energy: 1.5118196495950342
Energy: 1.5116390573726552
Energy: 1.5162375367387002
Energy: 1.512440204446141
Energy: 1.5124630716251466
Energy: 2.1261059170928407
Energy: 1.5115731737606584
Energy: 1.5123702355792286
Energy: 1.5128634487559505
Energy: 1.5123780629554127
Energy: 1.5123683637195735
Energy: 2.1259968282561363
Energy: 1.5140122138495564
Energy: 1.512671304188484
Energy: 1.5129756314780822
Energy: 1.5156976037075505
Energy: 1.5123033937263963
Energy: 1.9996274634431397
Energy: 1.4614280715126329
Energy: 1.5628119790138975
Energy: 1.7041352381228174
Energy: 1.65090556893148
Energy: 1.6508766532547905
Energy: 1.6980017688344835
Energy: 1.6167936400161398
Energy: 1.6222158402347364
Energy: 1.5971777480677916
Energy: 1.5628776452323374
Energy: 1.5877998798179895
Energy: 1.697416678031316
Energy: 1.5132143051603066
Energy: 1.5124540559294086
Energy: 1.5877206409259956
Energy: 1.5155854678018505
Energy: 1.5928832252043288
Energy: 1.697761676726818
Energy: 1.5570681074597525
Energy: 1.5496324985428562
Energy: 1.622051203077639
Energy: 1.5110903940720257
Energy: 1.5411431753709457
Energy: 1.8220710149871941
Energy: 1.5126867599894924
Energy: 1.5127363656472295
Energy: 1.598619607252206
Energy: 1.5043765055715554
Energy: 1.5152439523850925
Energy: 1.8203842639941226
Energy: 1.6699858490775645
Energy: 1.591552615357663
Energy: 1.5873538495056225
Energy: 1.6629280767620809
Energy: 1.5923680084287817
Energy: 1.8207916474999022
Energy: 1.5092543459415522
Energy: 1.5150278587414907
Energy: 1.5599624428696877
Energy: 1.515188999330519
Energy: 1.5150723592628486
Energy: 2.2815881780688234
Energy: 1.589078862940014
Energy: 1.5888612756448248
Energy: 1.4882214782969576
Energy: 1.5903157097067018
Energy: 1.5885030921545433
Energy: 2.2817925280834457
Energy: 1.5887825985992199
Energy: 1.5957002813875043
Energy: 1.4728538664694313
Energy: 1.5056402199015768
Energy: 1.4733068070255124
Energy: 1.516516815420192
Energy: 1.5880523759899325
Energy: 1.5946706414086727
Energy: 1.5156194440545072
Energy: 1.5890331574658338
Energy: 1.5904600860115767
Energy: 2.674250462886129
Energy: 1.600647465569419
Energy: 1.4939378993447077
Energy: 1.4599413776085701
Energy: 1.5963752657110784
Energy: 1.4923203639013651

minimum gb energy = 1.4599413776085701 eV
minimum distance =  2.32979527244563 Angstroms
sigma value = 19


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

Energy: 2.4233528068591643
Energy: 1.600190613252119
Energy: 1.665617436301826
Energy: 1.7510870276345674
Energy: 1.5974138145802765
Energy: 1.6654607442560692
Energy: 2.0007639344985746
Energy: 1.6236988053559847
Energy: 1.623805642764173
Energy: 1.6714042008736756
Energy: 1.623838096727307
Energy: 1.6234444764124412
Energy: 2.483894130143539
Energy: 1.6237785560684075
Energy: 1.6243683178705608
Energy: 1.6944520831993926
Energy: 1.6240381159079882
Energy: 1.6260621432448068
Energy: 1.9905717871960023
Energy: 1.6229662017894873
Energy: 1.6228904956218513
Energy: 1.6737475949663927
Energy: 1.6237439157706783
Energy: 1.6230904244229865
Energy: 2.000560701154832
Energy: 1.6230386011797862
Energy: 1.6711068321518916
Energy: 1.6716453831752918
Energy: 1.623066511400106
Energy: 1.6721070158643367
Energy: 1.999226332335056
Energy: 1.5829975605834758
Energy: 1.669860506084324
Energy: 1.6718140491995
Energy: 1.5826697991091385
Energy: 1.6711071721908561
Energy: 2.0014338617594847
Energy: 1.5979336170646319
Energy: 1.6708394894019516
Energy: 1.6711022736420453
Energy: 1.5973931755709772
Energy: 1.6714226552397737
Energy: 1.814247426302217
Energy: 1.5835770858476097
Energy: 1.5831579059657155
Energy: 1.6235700457972013
Energy: 1.5845872552751565
Energy: 1.5841239539059815
Energy: 1.6236301592357796
Energy: 1.5851397060170898
Energy: 1.583763825974568
Energy: 1.623480803354793
Energy: 1.5833516447363558
Energy: 1.5830567680965313
Energy: 1.6228580185122765
Energy: 1.6717614867998174
Energy: 1.6232265470666825
Energy: 1.6233497980830056
Energy: 1.6699167990624144
Energy: 1.6240150512790805
Energy: 1.6220397167225526
Energy: 1.679048051141525
Energy: 1.6791181638057642
Energy: 1.622964083970475
Energy: 1.6789981517648964
Energy: 1.623726807430982
Energy: 1.8149030600545992
Energy: 1.6698848391259244
Energy: 1.669910157448301
Energy: 1.6236505311588958
Energy: 1.6930374164055817
Energy: 1.6236338272122304
Energy: 1.5830124400601004
Energy: 1.6704041674111578
Energy: 1.6708858484563887
Energy: 1.582669914581747
Energy: 1.6714572278874236
Energy: 1.6723202043823773
Energy: 1.815396146219119
Energy: 1.6715016381451568
Energy: 1.6712672021160342
Energy: 1.5975378625560321
Energy: 1.6745513844911502
Energy: 1.6716005866371302
Energy: 2.386730149974077
Energy: 1.6238798197257223
Energy: 1.6244536301051558
Energy: 1.583838016296763
Energy: 1.6235983507740228
Energy: 1.5831862794172116
Energy: 2.3867801276923735
Energy: 1.5969118187556375
Energy: 1.5841872902153973
Energy: 1.5852616449987003
Energy: 1.6251366067272977
Energy: 1.5829590986785238
Energy: 2.001068363425788
Energy: 1.6243262966690015
Energy: 1.6239915868511274
Energy: 1.6714292369903523
Energy: 1.6232700366504558
Energy: 1.6232017482345
Energy: 1.991088379922319
Energy: 1.624511336053436
Energy: 1.623333669832839
Energy: 1.672715252153937
Energy: 1.623529164840465
Energy: 1.5975350994097013
Energy: 1.9922367813501085
Energy: 1.6242940422342689
Energy: 1.6236242200753093
Energy: 1.6724871904737557
Energy: 1.6241220398646259
Energy: 1.623764229135051
Energy: 2.0004422018356474
Energy: 1.5827773439224555
Energy: 1.6704897436508905
Energy: 1.6714024786104036
Energy: 1.582518794042838
Energy: 1.6696048598603326
Energy: 1.9989108681211207
Energy: 1.623948168655158
Energy: 1.6712414605377797
Energy: 1.6714244187837553
Energy: 1.623514044208387
Energy: 1.6711266194860814
Energy: 1.9997933750736687
Energy: 1.67121734885758
Energy: 1.6702403753605917
Energy: 1.6228625322601287
Energy: 1.5977844957805427
Energy: 1.6702324578712688
Energy: 1.8153366950606262
Energy: 1.5830832589814083
Energy: 1.5830104555450397
Energy: 1.623796847224792
Energy: 1.5827239958881096
Energy: 1.5828039868496016
Energy: 1.6233123993704772
Energy: 1.6245244333065887
Energy: 1.623473385655178
Energy: 1.623766022949704
Energy: 1.6480201870289886
Energy: 1.6233667065875996
Energy: 1.6236533588624558
Energy: 1.671130507175307
Energy: 1.6249203519474023
Energy: 1.6237661434506
Energy: 1.6950287426079733
Energy: 1.6243873041327406
Energy: 1.597234188111163
Energy: 1.673763873002406
Energy: 1.6733744949696263
Energy: 1.6229710786452944
Energy: 1.6741198295885278
Energy: 1.6234737281023381
Energy: 2.0000027123420083
Energy: 1.671020845422118
Energy: 1.670200486355966
Energy: 1.6234358203768555
Energy: 1.6710124235070094
Energy: 1.6721992618495514
Energy: 1.5823951466839608
Energy: 1.670723441782399
Energy: 1.6716742548025518
Energy: 1.5825539305151926
Energy: 1.671184640019045
Energy: 1.669051156498072
Energy: 1.8149530449113545
Energy: 1.670633752382561
Energy: 1.6711459508545339
Energy: 1.5979418063920667
Energy: 1.6709545186907533
Energy: 1.6698151362503926
Energy: 2.384178997881548
Energy: 1.5967414534175777
Energy: 1.5838278740036416
Energy: 1.583567400923513
Energy: 1.6242483467609892
Energy: 1.5844773232141507

minimum gb energy = 1.5823951466839608 eV
minimum distance =  2.31969400814397 Angstroms
sigma value = 27


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

Energy: 1.9971043380387627
Energy: 1.3717962928455851
Energy: 1.3092399820091172
Energy: 1.4515895300938162
Energy: 1.3705160804410295
Energy: 1.3063012783192685
Energy: 1.8845905174613955
Energy: 1.3702872613684476
Energy: 1.3703618848268482
Energy: 1.3706350853825124
Energy: 1.3712844270834217
Energy: 1.3714017671643763
Energy: 1.7561128049545898
Energy: 1.447029101505664
Energy: 1.448229997388547
Energy: 1.3711463374317576
Energy: 1.3701790162699545
Energy: 1.3711255436036935
Energy: 1.416487247769168
Energy: 1.4281658636271217
Energy: 1.3705210424719676
Energy: 1.37127751659783
Energy: 1.3709988836524332
Energy: 1.3715096363145642
Energy: 1.886658298898396
Energy: 1.307043897724326
Energy: 1.3707498490715335
Energy: 1.37039853850008
Energy: 1.3070522513816425
Energy: 1.373027449631094
Energy: 1.602181242466622
Energy: 1.4660687941403974
Energy: 1.402252097205709
Energy: 1.6017163402218426
Energy: 1.4657360919532267
Energy: 1.3062034319043383
Energy: 1.602709327231659
Energy: 1.4112704435696464
Energy: 1.3724054511861021
Energy: 1.3705057104064629
Energy: 1.409415405516968
Energy: 1.3715403174228156
Energy: 1.68124331363569
Energy: 1.4019251076127108
Energy: 1.4030912477429704
Energy: 1.450974151056757
Energy: 1.4015912264562527
Energy: 1.369101754316084
Energy: 1.7562830124911157
Energy: 1.369399839051195
Energy: 1.416463183424042
Energy: 1.3711204206920564
Energy: 1.3686946636412185
Energy: 1.4155419416102824
Energy: 1.4951241719179071
Energy: 1.4193534871324844
Energy: 1.3716986507157924
Energy: 1.4482039768171793
Energy: 1.4210328446543763
Energy: 1.372140608544608
Energy: 1.7577951489714414
Energy: 1.4912009303766411
Energy: 1.4911456529550693
Energy: 1.372573857321958
Energy: 1.4963245808587422
Energy: 1.4127385810999538
Energy: 1.6536881793958365
Energy: 1.370878467658927
Energy: 1.3703806696895613
Energy: 1.3709211635026917
Energy: 1.371940311421046
Energy: 1.3708408145300446

minimum gb energy = 1.3062034319043383 eV
minimum distance =  2.35284007180372 Angstroms
sigma value = 9


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

Energy: 1.2411907169700818
Energy: 1.3184725168365743
Energy: 1.254966016485118
Energy: 1.2979648482628168
Energy: 1.3074927213178567
Energy: 1.3008720648930967
Energy: 1.3001355480496923
Energy: 1.2789525513352578
Energy: 1.2635793738372754
Energy: 1.2626928407752638
Energy: 1.269071214998988
Energy: 1.2627427516676983
Energy: 1.463788791240767
Energy: 1.2664108692033553
Energy: 1.2691304859927866
Energy: 1.291051869928876
Energy: 1.2665788061704941
Energy: 1.2943002414198281
Energy: 1.4658200016979124
Energy: 1.2700590412541675
Energy: 1.2712891989658144
Energy: 1.2813372218953918
Energy: 1.2690580351019483
Energy: 1.2698925545098565
Energy: 1.2872857301103005
Energy: 1.2917763679383278
Energy: 1.2579314179464305
Energy: 1.2795486487739507
Energy: 1.2651148091839692
Energy: 1.289304717805367
Energy: 1.3803178836710306
Energy: 1.2714592140133296
Energy: 1.2581889396107824
Energy: 1.2696234655939205
Energy: 1.2632865714701242
Energy: 1.2612930514622995
Energy: 1.3827732293537622
Energy: 1.2733441826852863
Energy: 1.2698134204471512
Energy: 1.325113398549627
Energy: 1.2706348863852304
Energy: 1.2694614857919886
Energy: 1.4098357633187846
Energy: 1.2632991743748958
Energy: 1.2697278709025424
Energy: 1.2763051561994165
Energy: 1.2555761778645982
Energy: 1.2701661010437872
Energy: 1.3378932786749125
Energy: 1.2928644904775664
Energy: 1.269205021445554
Energy: 1.2674891084346274
Energy: 1.2683276045776726
Energy: 1.2703515433691666
Energy: 1.3202304459492133
Energy: 1.2698893867157457
Energy: 1.2697278792818176
Energy: 1.3096981749159715
Energy: 1.271275597781908
Energy: 1.2702482481983957
Energy: 1.3199497492361472
Energy: 1.2720381967108692
Energy: 1.2728322061636081
Energy: 1.2575014599476675
Energy: 1.2683306831666414
Energy: 1.2942198165857348
Energy: 1.6269467982568224
Energy: 1.2967298576060688
Energy: 1.2870796964596531
Energy: 1.2693432852154545
Energy: 1.3225402706742557
Energy: 1.2946315831038064
Energy: 1.2251163440131245
Energy: 1.2778608798841768
Energy: 1.27596441145707
Energy: 1.2908541494393877
Energy: 1.305005110506113
Energy: 1.268186752580036
Energy: 1.626194605687073
Energy: 1.2870267708012055
Energy: 1.288684929966231
Energy: 1.2695646932244027
Energy: 1.293045286740983
Energy: 1.2938542660327033
Energy: 1.3630844759585228
Energy: 1.2348165354095155
Energy: 1.2330400510768056
Energy: 1.2680136365189032
Energy: 1.2363645210465097
Energy: 1.2784311942733622
Energy: 1.3632398581027614
Energy: 1.2559939977172037
Energy: 1.2797177373169988
Energy: 1.2675576942093774
Energy: 1.2617941285173921
Energy: 1.2905985093582812
Energy: 1.361691998031219
Energy: 1.2671293739869145
Energy: 1.2748923077466463
Energy: 1.2687985845944099
Energy: 1.262617433102034
Energy: 1.2767258051140025
Energy: 1.4810476198885318
Energy: 1.2919249221687625
Energy: 1.2753214642954123
Energy: 1.2715291221106289
Energy: 1.2771326792115913
Energy: 1.2757139757898222
Energy: 1.4646904703683483
Energy: 1.2560676190736875
Energy: 1.258676177421593
Energy: 1.2920047995359314
Energy: 1.2578319344344049
Energy: 1.260581173603921
Energy: 1.4621818486565081
Energy: 1.2522087171334684
Energy: 1.250860169886227
Energy: 1.2562601063854042
Energy: 1.2549152183204735
Energy: 1.2368951299214506
Energy: 1.4651460583339946
Energy: 1.2821276109460813
Energy: 1.2780043828584582
Energy: 1.2869269699375125
Energy: 1.2900098034214964
Energy: 1.256181880135486
Energy: 1.529327123340046
Energy: 1.2875606185560529
Energy: 1.2632425269802985
Energy: 1.264973341580136
Energy: 1.2782836092641487
Energy: 1.253577429140477
Energy: 1.8601733140940002
Energy: 1.2651300938285501
Energy: 1.2729591546183934
Energy: 1.2650767933381557
Energy: 1.2690919948172825
Energy: 1.2608006692834066
Energy: 1.463107300605977
Energy: 1.2697193122136352
Energy: 1.2879183829471423
Energy: 1.2947896541172865
Energy: 1.2675969153051145
Energy: 1.2786318948931559
Energy: 1.753429486414376
Energy: 1.2651658809432973
Energy: 1.2797804554109868
Energy: 1.2606770084783019
Energy: 1.268474723292572
Energy: 1.2728328221485041
Energy: 1.3017566442885355
Energy: 1.2698022934996431
Energy: 1.2967372607765628
Energy: 1.279243425521219
Energy: 1.2708019449990366
Energy: 1.2898003607145034
Energy: 1.5990715196584255
Energy: 1.2717822055871386
Energy: 1.270087750988815
Energy: 1.610469311295002
Energy: 1.2566016159731157
Energy: 1.3331100833170197
Energy: 1.3810665395287107
Energy: 1.269317759424757
Energy: 1.2705042114542937
Energy: 1.3248659174776232
Energy: 1.267657384712358
Energy: 1.2921281179586963
Energy: 1.38106253023759
Energy: 1.2951729742399198
Energy: 1.290372916296767
Energy: 1.3271415069331076
Energy: 1.2692861248991247
Energy: 1.2714952366485504
Energy: 1.3731559590961506
Energy: 1.259751519043478
Energy: 1.2704163293394033
Energy: 1.2699617389574662
Energy: 1.2564780741771016
Energy: 1.270284595298816
Energy: 1.3198093855175386
Energy: 1.272329576650582
Energy: 1.2704644802017346
Energy: 1.2576237483663186
Energy: 1.2676920996942
Energy: 1.2694598338993839
Energy: 2.313442728014448
Energy: 1.2756476333471702
Energy: 1.2709687284058284
Energy: 1.2588945113319778
Energy: 1.2718172912955814
Energy: 1.2697292007171674
Energy: 1.6251587854868395
Energy: 1.2897813633748112
Energy: 1.2676342950588357
Energy: 1.2672522589985857
Energy: 1.3237065565874175
Energy: 1.270336880178222
Energy: 1.430741725679464
Energy: 1.2868244602376921
Energy: 1.2876311072563116
Energy: 1.2690070523847643
Energy: 1.27854881155063
Energy: 1.2643814144864842
Energy: 1.627896725819906
Energy: 1.2874425094782627
Energy: 1.287969473069518
Energy: 1.267356058625797
Energy: 1.3005224856577522
Energy: 1.2902189885929356
Energy: 1.4058356178573297
Energy: 1.2353187075848782
Energy: 1.2650281120717668
Energy: 1.2708407909077843
Energy: 1.2369346126359044
Energy: 1.2646737981673635
Energy: 1.3629386314585892
Energy: 1.2833905645862114
Energy: 1.2812483187888444
Energy: 1.267899395822623
Energy: 1.2627517191161135
Energy: 1.2725805679076077
Energy: 1.3615703651656832
Energy: 1.2626118969564906
Energy: 1.2720750873137208
Energy: 1.2674726911380392
Energy: 1.262823062138387
Energy: 1.2627874953971965
Energy: 1.3622803248457243
Energy: 1.2909807602515246
Energy: 1.2843325052816
Energy: 1.2670778575377362
Energy: 1.2987958232862857
Energy: 1.28967196920588
Energy: 1.4654108082376236
Energy: 1.2637209599529073
Energy: 1.2721980130762847
Energy: 1.2684615473964793
Energy: 1.2642746551689457
Energy: 1.2645092141379013
Energy: 1.4584120596808516
Energy: 1.2398486654346588
Energy: 1.2384214896968122
Energy: 1.26020904248988
Energy: 1.2559801956732732
Energy: 1.2560769077931992
Energy: 1.46510033896226
Energy: 1.2523578231960082
Energy: 1.252123755661751
Energy: 1.2946626872184008
Energy: 1.2543926644539352
Energy: 1.2559123379672608
Energy: 1.8593115439064565
Energy: 1.271807843796593
Energy: 1.2720316942381569
Energy: 1.2652630101796685
Energy: 1.2774403385659745
Energy: 1.2610441793865055

minimum gb energy = 1.2251163440131245 eV
minimum distance =  2.30980654334617 Angstroms
sigma value = 57


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

Energy: 2.489383593261823
Energy: 1.1974986331910993
Energy: 1.1068566758871068
Energy: 1.38190506056928
Energy: 1.1626382895719245
Energy: 1.2499717700451398
Energy: 1.3109004966852775
Energy: 1.207069844625476
Energy: 1.2098879412658532
Energy: 1.206309211804728
Energy: 1.226546424944066
Energy: 1.2059893525782732
Energy: 1.3090562930892264
Energy: 1.225052427501062
Energy: 1.200490447887132
Energy: 1.2070248705239857
Energy: 1.1986435866924026
Energy: 1.2275449573204837
Energy: 1.3090221779745663
Energy: 1.141706023094257
Energy: 1.1428587059631172
Energy: 1.264234542299071
Energy: 1.1294145968741698
Energy: 1.1435029293957808
Energy: 1.3094607281373898
Energy: 1.2674159550072388
Energy: 1.2584671626409902
Energy: 1.130716719794153
Energy: 1.2601796159925305
Energy: 1.2134438265258485
Energy: 1.8541092282357319
Energy: 1.3063448679600607
Energy: 1.3008320969802747
Energy: 1.1606235587108442
Energy: 1.3015580521186618
Energy: 1.2838419486200159
Energy: 1.713241810556366
Energy: 1.1840681631061105
Energy: 1.1348152736154298
Energy: 1.1329854303458664
Energy: 1.1313838228936175
Energy: 1.1368461399055747
Energy: 1.845809347084509
Energy: 1.3607395995392042
Energy: 1.2253599215461854
Energy: 1.1400844678448039
Energy: 1.3651881973489217
Energy: 1.2446990141529506
Energy: 1.5381497237288717
Energy: 1.3645348901436354
Energy: 1.3577259426465709
Energy: 1.346177187258541
Energy: 1.364192434144548
Energy: 1.361649646363749
Energy: 1.5371649172694661
Energy: 1.3523824547479704
Energy: 1.3503408409075266
Energy: 1.3584324242175596
Energy: 1.3582109995478542
Energy: 1.3568448907925756
Energy: 1.5373309648896472
Energy: 1.3521984771443207
Energy: 1.3508142677924246
Energy: 1.3556636625343121
Energy: 1.3506847283357217
Energy: 1.3583429130519094
Energy: 1.5383777171514676
Energy: 1.3638103472378353
Energy: 1.3608509566860254
Energy: 1.358785081370229
Energy: 1.3643255770329845
Energy: 1.3675762598830759
Energy: 2.472284562393409
Energy: 1.3738465874724648
Energy: 1.2334821506112825
Energy: 1.1375371523098687
Energy: 1.361822796581997
Energy: 1.2328971821443448
Energy: 1.745205797322591
Energy: 1.1410814189275387
Energy: 1.139646102356041
Energy: 1.1317009256130537
Energy: 1.139766079315178
Energy: 1.1408281641508478
Energy: 1.2197086115992506
Energy: 1.2992404226966776
Energy: 1.3000631000941711
Energy: 1.226149788731956
Energy: 1.2989041512834318
Energy: 1.2644567289516022
Energy: 1.3141606674889468
Energy: 1.1406067817578045
Energy: 1.1416057011841036
Energy: 1.1316054021491653
Energy: 1.2731701760894487
Energy: 1.1401405989006002
Energy: 1.314351227748067
Energy: 1.2626285781310365
Energy: 1.1376772794604375
Energy: 1.2083108394289295
Energy: 1.26003251071455
Energy: 1.1365863264319425
Energy: 1.3096670213607855
Energy: 1.124891536745648
Energy: 1.2003073334384606
Energy: 1.1994947904380637
Energy: 1.198173709583573
Energy: 1.2235950983906132
Energy: 1.5116041316789972
Energy: 1.1367434348539762
Energy: 1.1356428367469467
Energy: 1.0842402465069145
Energy: 1.1359275878734432
Energy: 1.1330539919242604

minimum gb energy = 1.0842402465069145 eV
minimum distance =  2.30904181631192 Angstroms
sigma value = 11


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

Energy: 2.133356978844097
Energy: 2.2100027705011254
Energy: 1.2657670065116753
Energy: 1.0022315178486205
Energy: 1.2547631167796123
Energy: 1.263892053896618
Energy: 1.0421876152195448
Energy: 0.9942035899143293
Energy: 0.997062386354357
Energy: 0.9873777029643666
Energy: 0.9891868488381742
Energy: 0.9923743651681194
Energy: 1.0606624124653514
Energy: 0.9876512454206545
Energy: 0.9892168268766155
Energy: 0.987181838686859
Energy: 0.9871078196375644
Energy: 0.9924491765634484
Energy: 1.0595653728496044
Energy: 0.9903917514937067
Energy: 0.9909499414964884
Energy: 0.9867809514415566
Energy: 0.9867125478131903
Energy: 0.9911601712253257
Energy: 1.0424261609137395
Energy: 1.1311052865635913
Energy: 1.1325421519272527
Energy: 0.9894688750576395
Energy: 1.128699565102523
Energy: 0.9930006912285508
Energy: 1.1082877622791898
Energy: 0.9983695635369318
Energy: 0.9977254210653905
Energy: 0.985131323732504
Energy: 0.990553828229816
Energy: 1.1315306614693081
Energy: 1.1179857548465146
Energy: 0.9918548804829174
Energy: 0.9923038333462345
Energy: 0.9880460816388037
Energy: 0.9874610616738217
Energy: 0.9924025224690532
Energy: 1.0711110908447024
Energy: 1.254424391340797
Energy: 1.2103340210375209
Energy: 0.9846655747953437
Energy: 1.2099435961271965
Energy: 1.0053217960792455
Energy: 1.1111620416444596
Energy: 0.9881990362234688
Energy: 0.9895179655765981
Energy: 0.989551606975879
Energy: 0.9872432877710428
Energy: 0.9920406521241939
Energy: 1.5102168224880554
Energy: 0.9907529431940102
Energy: 0.9957856636216305
Energy: 0.9911861313378684
Energy: 0.9879049889811626
Energy: 0.9955277578486603
Energy: 1.154532599315385
Energy: 1.1281212782501795
Energy: 1.1324833781723211
Energy: 1.128141820065993
Energy: 1.127899784963818
Energy: 1.13312972831671
Energy: 1.3349264365109175
Energy: 0.9855764274163147
Energy: 0.9893622188101101
Energy: 1.2158002073610128
Energy: 0.9875509697418063
Energy: 0.9879014282092349
Energy: 1.5663134109621257
Energy: 0.9869267312101678
Energy: 0.9847955144208851
Energy: 1.2125177869141284
Energy: 0.9942038071890803
Energy: 0.9881250806434484
Energy: 1.332870927895565
Energy: 1.2675071733022936
Energy: 1.2684227243933117
Energy: 1.129007854305718
Energy: 1.1326596750829523
Energy: 1.2666503609045512
Energy: 1.3341949082115476
Energy: 0.9897976705445399
Energy: 0.99035346906986
Energy: 1.131387462190662
Energy: 0.9892594429880687
Energy: 1.1340531119560096
Energy: 1.6218354952484
Energy: 1.1335489581861808
Energy: 1.2666072651255147
Energy: 1.12971066832947
Energy: 1.1277931031949509
Energy: 1.2673115114347346
Energy: 1.8163513339619979
Energy: 1.015056975896199
Energy: 0.9908052939530367
Energy: 1.4453939165547298
Energy: 1.0145121112407922
Energy: 0.990821113493274
Energy: 2.1013600567589727
Energy: 1.1299265786657415
Energy: 1.1312809018791068
Energy: 0.9877933789939503
Energy: 1.1293748935739403
Energy: 1.1313778640851353
Energy: 1.1592916633023855
Energy: 0.9916944865388015
Energy: 0.9908535249861892
Energy: 0.9870090887394295
Energy: 0.9861717212856445
Energy: 0.9901716779325469
Energy: 1.4594087176153898
Energy: 1.2341032169372268
Energy: 1.2609591909074653
Energy: 1.2163829196137954
Energy: 0.986978147803836
Energy: 0.9982785263405595
Energy: 1.6212919026342236
Energy: 1.128208688818686
Energy: 1.131143213848201
Energy: 1.1302566000665335
Energy: 1.2624565153456893
Energy: 1.1292478930392245
Energy: 1.0476424697659965
Energy: 0.9933886332703636
Energy: 0.9940153181019881
Energy: 1.131208696241586
Energy: 0.9925337436252505
Energy: 1.2672575985520247
Energy: 1.0511749722227717
Energy: 1.1295737472604195
Energy: 1.13368442641569
Energy: 0.9882657606828735
Energy: 0.9935127028035102
Energy: 1.1328854768763132
Energy: 1.279727481695177
Energy: 0.9859851975528123
Energy: 0.9874048667061095
Energy: 1.2111416818317544
Energy: 0.986999245958075
Energy: 0.9876492233633547
Energy: 1.2660596435670286
Energy: 0.989617505357017
Energy: 0.988084057030208
Energy: 0.997301312028054
Energy: 0.9873816250436611
Energy: 0.9867631799747678
Energy: 1.147777554821894
Energy: 0.9894237821660057
Energy: 0.993252899962274
Energy: 1.1291598558423983
Energy: 0.9865386665860323
Energy: 0.9942506040905877

minimum gb energy = 0.9846655747953437 eV
minimum distance =  2.36151320219315 Angstroms
sigma value = 41


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

Energy: 2.35429666461803
Energy: 1.0542543567735123
Energy: 1.0526455736275133
Energy: 1.9129630019771895
Energy: 1.0546715717993749
Energy: 1.0883630628454344
Energy: 1.1221126245736859
Energy: 1.0525086749589763
Energy: 1.0511779700114776
Energy: 1.0579220499216917
Energy: 1.060139091623367
Energy: 1.0511854668503624
Energy: 1.1180002605214152
Energy: 1.0537303775331155
Energy: 1.0533962092266769
Energy: 1.054692598544969
Energy: 1.0541542947435656
Energy: 1.0535695412516919
Energy: 1.118224011685794
Energy: 1.055455831122015
Energy: 1.0536281409536847
Energy: 1.055609458407842
Energy: 1.0558259334815423
Energy: 1.0537749144109292
Energy: 1.1204058693272103
Energy: 1.064909936617355
Energy: 1.0638909787969322
Energy: 1.0541734459977827
Energy: 1.0763114823923048
Energy: 1.0531601000405846
Energy: 1.2220456793906702
Energy: 1.0546267447535456
Energy: 1.05589710104827
Energy: 1.056766236837722
Energy: 1.0566256605561009
Energy: 1.0555951162655828
Energy: 1.2232672404226332
Energy: 1.0568819478162308
Energy: 1.054590137273231
Energy: 1.0558991521703698
Energy: 1.0511510855377002
Energy: 1.0539643068873916
Energy: 1.1594347343909064
Energy: 1.0560518555219467
Energy: 1.0571860933338293
Energy: 1.0589019963100534
Energy: 1.0551501498571167
Energy: 1.0479612128485971
Energy: 1.2255702899883631
Energy: 1.0527427138618433
Energy: 1.0534563470263343
Energy: 1.0528853035750683
Energy: 1.0571448413630675
Energy: 1.055108590760076
Energy: 1.7916075342680196
Energy: 1.0560529565874341
Energy: 1.0539668669873277
Energy: 1.0599247146696849
Energy: 1.0592783117801206
Energy: 1.05204935230173
Energy: 1.2222868498146078
Energy: 1.0577575102919787
Energy: 1.0559039367944765
Energy: 1.0601789859575295
Energy: 1.0589365678518574
Energy: 1.0568120464667785
Energy: 1.2238492600143336
Energy: 1.0495318155132354
Energy: 1.0493363247248413
Energy: 1.0586265761733935
Energy: 1.0522403118268226
Energy: 1.0561221940083678
Energy: 1.1251304419633423
Energy: 1.050653093751347
Energy: 1.050566177010128
Energy: 1.058551233883829
Energy: 1.0517199421452503
Energy: 1.0517795118692144
Energy: 1.12998303480636
Energy: 1.0512504932557256
Energy: 1.049818057692504
Energy: 1.0587409739248332
Energy: 1.0529640143034182
Energy: 1.0495310897474
Energy: 1.1272519097834952
Energy: 1.0519663607015566
Energy: 1.0507835004648636
Energy: 1.0552474057993855
Energy: 1.0845023731733017
Energy: 1.0538716752607815
Energy: 1.1240678499392418
Energy: 1.0543491579484683
Energy: 1.0523953183091082
Energy: 1.0590419636797048
Energy: 1.0525978763570385
Energy: 1.0522517044253576
Energy: 2.3326952238048
Energy: 1.0672593720223174
Energy: 1.0642079385013103
Energy: 1.4006672039903725
Energy: 1.0658874017462134
Energy: 1.060355806821487
Energy: 1.1605381805663146
Energy: 1.0576630918537036
Energy: 1.0544401287178198
Energy: 1.0560139289423207
Energy: 1.0592257798938287
Energy: 1.0543023313589008
Energy: 1.1198467689073501
Energy: 1.052720438448422
Energy: 1.0522011865604273
Energy: 1.059086350128462
Energy: 1.0539432055675364
Energy: 1.054304157153625
Energy: 1.1175617007428569
Energy: 1.0551724735763608
Energy: 1.0525693936272356
Energy: 1.0544767629128537
Energy: 1.0533502104579828
Energy: 1.0521257625261897
Energy: 1.122528588843641
Energy: 1.0532932932033328
Energy: 1.0567212817887532
Energy: 1.0596032431894824
Energy: 1.0558982880403511
Energy: 1.0539750359719864
Energy: 1.9117014966829624
Energy: 1.0899129911990169
Energy: 1.3702823811249607
Energy: 1.498967668876136
Energy: 1.0983969469282273
Energy: 1.3587246292433377
Energy: 1.2253784825630727
Energy: 1.0557435644872692
Energy: 1.0530735926895014
Energy: 1.061031948353099
Energy: 1.057185886043263
Energy: 1.0509091006198459
Energy: 1.1590261408686304
Energy: 1.0986286542685861
Energy: 1.0983707862832244
Energy: 1.057977651267561
Energy: 1.054933096898974
Energy: 1.0528526377383023
Energy: 1.22347906450143
Energy: 1.0577503232519108
Energy: 1.0533058129664254
Energy: 1.0519079372257525
Energy: 1.0578768279796598
Energy: 1.0526898062439405
Energy: 1.2250567844544706
Energy: 1.0576371618506206
Energy: 1.056208087120399
Energy: 1.0604572702259498
Energy: 1.058405436605712
Energy: 1.0573439963469664
Energy: 1.2215284875084444
Energy: 1.0559227542774197
Energy: 1.0537433586000788
Energy: 1.0592815325552514
Energy: 1.0554105070460966
Energy: 1.0518391642234304
Energy: 1.219938311374231
Energy: 1.0585081620793728
Energy: 1.0693287934325584
Energy: 1.0575951884201036
Energy: 1.050990657561954
Energy: 1.0569216950800642
Energy: 1.127667412386989
Energy: 1.053235283364315
Energy: 1.0569120066944913
Energy: 1.0446040123663234
Energy: 1.0494108961633504
Energy: 1.1063810950922461
Energy: 1.1259415811633118
Energy: 1.0686652981070293
Energy: 1.0705759749640997
Energy: 1.0569386412561503
Energy: 1.06809123886324
Energy: 1.0711659126391422
Energy: 1.1260621085432023
Energy: 1.051752577916827
Energy: 1.0519621341201328
Energy: 1.0548966547274305
Energy: 1.3956151908560759
Energy: 1.0576072805227126
Energy: 1.1252161688165478
Energy: 1.0554898072200911
Energy: 1.0538509936061224
Energy: 1.0534826555148602
Energy: 1.051037894624943
Energy: 1.0518549698400612
Energy: 1.2848728603959363
Energy: 1.055818866171547
Energy: 1.0591876179753246
Energy: 1.057012580824405
Energy: 1.057119561424083
Energy: 1.0535501732661525

minimum gb energy = 1.0446040123663234 eV
minimum distance =  2.34930000683508 Angstroms
sigma value = 33


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

Energy: 1.3902701036720881
Energy: 1.1366754916496769
Energy: 1.1375016713940835
Energy: 1.216002272762356
Energy: 1.1391303518894547
Energy: 1.1371381746772857
Energy: 1.2180470523177191
Energy: 1.1391999621817692
Energy: 1.1358867125436123
Energy: 1.1431519025329187
Energy: 1.1388662287392568
Energy: 1.135820023697689
Energy: 1.2109248050857742
Energy: 1.1432715431620981
Energy: 1.1414465894438637
Energy: 1.1428844757357928
Energy: 1.147254396856427
Energy: 1.1378852645204367
Energy: 1.2122976060947652
Energy: 1.139269358182491
Energy: 1.1398768436848996
Energy: 1.1399224887641324
Energy: 1.1443318562315714
Energy: 1.1385484330617537
Energy: 1.2057649209601755
Energy: 1.1407699699360399
Energy: 1.1444383268635254
Energy: 1.1353597881547102
Energy: 1.149089387677783
Energy: 1.1451627724563902
Energy: 1.2032896646076048
Energy: 1.1469314038941247
Energy: 1.1432554483920627
Energy: 1.132644314240155
Energy: 1.1495000649462563
Energy: 1.1435848045405463
Energy: 1.2760219275970457
Energy: 1.1529753679111936
Energy: 1.135463914547012
Energy: 1.1441860987185466
Energy: 1.1539913706340605
Energy: 1.1409760020751678
Energy: 1.2640985430302059
Energy: 1.1527418757908618
Energy: 1.207695174984846
Energy: 1.1399256443777153
Energy: 1.1555477299860353
Energy: 1.1480640327589833
Energy: 1.2756973430806913
Energy: 1.15286422591214
Energy: 1.1538066398655582
Energy: 1.147138445413222
Energy: 1.1439123762996732
Energy: 1.15444660671957
Energy: 1.280946333299303
Energy: 1.1588119788376428
Energy: 1.1588469881628902
Energy: 1.1426751343787336
Energy: 1.1480527426829523
Energy: 1.1593479820075878
Energy: 1.2775262152591504
Energy: 1.1549352816079692
Energy: 1.1353251567904374
Energy: 1.1393682624582102
Energy: 1.15595928535356
Energy: 1.1371342802744182
Energy: 1.2767660374987775
Energy: 1.1369999502535135
Energy: 1.1371908122865184
Energy: 1.1401042321970745
Energy: 1.1353404517135786
Energy: 1.1557772769857833
Energy: 1.2040546891247272
Energy: 1.135530798900851
Energy: 1.1363143077487188
Energy: 1.1399597994022208
Energy: 1.1342061403525119
Energy: 1.1356561031776293
Energy: 1.2138273676977607
Energy: 1.1403920225941198
Energy: 1.1380228009930433
Energy: 1.1390640831394354
Energy: 1.1408431030672561
Energy: 1.1390719078394778
Energy: 1.1509826191825463
Energy: 1.1368750013335553
Energy: 1.1366515674910487
Energy: 1.1453598438176888
Energy: 1.1416891150598079
Energy: 1.1362979367953905
Energy: 1.2239638676988174
Energy: 1.145844129650871
Energy: 1.140616357173886
Energy: 1.1408970790086765
Energy: 1.1439043368832311
Energy: 1.1375424883633867
Energy: 1.2827728126686126
Energy: 1.1385296756055003
Energy: 1.146827570160108
Energy: 1.151193758315122
Energy: 1.134248702883489
Energy: 1.1433546947152762
Energy: 1.2803332415776554
Energy: 1.1498762507610925
Energy: 1.1646129424403402
Energy: 1.1496695130389238
Energy: 1.1383257364219777
Energy: 1.1553355591096401
Energy: 1.3033480494639906
Energy: 1.1393586877674213
Energy: 1.1371429571837157
Energy: 1.1398313515089176
Energy: 1.1400092274429465
Energy: 1.1583011635084923
Energy: 1.1623058578001149
Energy: 1.1373975249766621
Energy: 1.1357982512410878
Energy: 1.1473297279397536
Energy: 1.1403897080616656
Energy: 1.1576113696326753
Energy: 1.160482607248432
Energy: 1.1533265819860863
Energy: 1.1546487844097046
Energy: 1.1459359440895458
Energy: 1.153360073892497
Energy: 1.1536593709994736
Energy: 1.1636323932140107
Energy: 1.1466903008760059
Energy: 1.1548647657931221
Energy: 1.1485802248083419
Energy: 1.159050201372824
Energy: 1.1543577433284602
Energy: 1.2091904796439163
Energy: 1.1393460531494144
Energy: 1.137035785638743
Energy: 1.1570326929262031
Energy: 1.1423776135024195
Energy: 1.1542072013988733
Energy: 1.2725039966276122
Energy: 1.137733479117447
Energy: 1.133609831866084
Energy: 1.1344022350503191
Energy: 1.1381067106416431
Energy: 1.1315377279512993
Energy: 1.271726029293595
Energy: 1.1430024073505562
Energy: 1.152358382041291
Energy: 1.1560116691575155
Energy: 1.1406934446445396
Energy: 1.1414623746277688
Energy: 1.2125602965952667
Energy: 1.1412838900918767
Energy: 1.1355011874402545
Energy: 1.140887098730113
Energy: 1.1447738764758364
Energy: 1.1373170895932454
Energy: 1.2103993045615369
Energy: 1.1382469118742835
Energy: 1.13826085200305
Energy: 1.1416785929867015
Energy: 1.140903105057618
Energy: 1.1382806712891276
Energy: 1.2079010918024566
Energy: 1.1384316065982432
Energy: 1.15117809000316
Energy: 1.1372863186396518
Energy: 1.1506756584978535
Energy: 1.1513889950692013
Energy: 1.2027612770942497
Energy: 1.146570337677166
Energy: 1.1447620039082975
Energy: 1.132761966171506
Energy: 1.1506492183858892
Energy: 1.145928530852972
Energy: 1.275644931376365
Energy: 1.1538383839814506
Energy: 1.1529673908144074
Energy: 1.1477147279527058
Energy: 1.153623567553005
Energy: 1.1411359731924435
Energy: 1.2582005497002198
Energy: 1.151153369111796
Energy: 1.20546424640502
Energy: 1.136292316625179
Energy: 1.146617214727304
Energy: 1.1415369653701686
Energy: 1.2763174502357475
Energy: 1.1530611412840015
Energy: 1.1532604003598197
Energy: 1.1533973540114741
Energy: 1.148829300126098
Energy: 1.1524447845848613
Energy: 1.2792275995397888
Energy: 1.157579137888853
Energy: 1.1573529295196294
Energy: 1.1401136907633038
Energy: 1.1576926842730977
Energy: 1.1560105484330376
Energy: 1.278841134922783
Energy: 1.1570266753480878
Energy: 1.1561690231138793
Energy: 1.139565178885652
Energy: 1.1509511356386626
Energy: 1.1383399720041891
Energy: 1.276369275623366
Energy: 1.135302552064281
Energy: 1.1624600892117112
Energy: 1.1380582437435516
Energy: 1.1395767642857113
Energy: 1.1634176873313955
Energy: 1.2028736120844297
Energy: 1.1360418816298359
Energy: 1.1343181213005005
Energy: 1.1354778811958466
Energy: 1.1323203015303036
Energy: 1.134459960412107
Energy: 1.2293118968301033
Energy: 1.1371440524384837
Energy: 1.1403893613262643
Energy: 1.1426481545996268
Energy: 1.1393104142411168
Energy: 1.140174729504105
Energy: 1.2312399124318378
Energy: 1.1346171000335965
Energy: 1.1403533598651012
Energy: 1.2277291572406368
Energy: 1.1353748256395326
Energy: 1.1342323488898407
Energy: 1.229632195947648
Energy: 1.1433062305803656
Energy: 1.1363860074847147
Energy: 1.1420344815140213
Energy: 1.1430269674564788
Energy: 1.133598920739861
Energy: 1.280859161873647
Energy: 1.1396925430625273
Energy: 1.1387567166018389
Energy: 1.1488029030182805
Energy: 1.1352078442604403
Energy: 1.14424007066493
Energy: 1.2814029873469557
Energy: 1.1451698789885574
Energy: 1.1557560454257485
Energy: 1.145761487889303
Energy: 1.1359018463235382
Energy: 1.155346270702864
Energy: 1.2080548428374687
Energy: 1.1368976364798107
Energy: 1.1433717502683833
Energy: 1.1458865113605559
Energy: 1.1384196317080981
Energy: 1.1353501936434074
Energy: 1.1637326381273818
Energy: 1.1388988802099058
Energy: 1.1375692494568117
Energy: 1.1479222551223538
Energy: 1.1408909299201413
Energy: 1.1319085918215637
Energy: 1.1648745715652278
Energy: 1.1551537160299215
Energy: 1.156779270866152
Energy: 1.1450500175385694
Energy: 1.1549749173529862
Energy: 1.1634397880120755
Energy: 1.1641562854662513
Energy: 1.1520248497199772
Energy: 1.1486730591060261
Energy: 1.1563589636643072
Energy: 1.5455200871621166
Energy: 1.150704380200513
Energy: 1.2102233790867178
Energy: 1.139503584947551
Energy: 1.1379132579809577
Energy: 1.1555254754549793
Energy: 1.1489586182056428
Energy: 1.1363299573503332
Energy: 1.2563733486781534
Energy: 1.1368254772838882
Energy: 1.1341694558819868
Energy: 1.1334783643574977
Energy: 1.1373941315262168
Energy: 1.1361936582201793

minimum gb energy = 1.1315377279512993 eV
minimum distance =  2.35650470324937 Angstroms
sigma value = 67


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

Energy: 1.8757838996751532
Energy: 1.219723030488466
Energy: 1.3384504236500592
Energy: 1.334094381035682
Energy: 1.2180336882311757
Energy: 1.3366908860477722
Energy: 1.331638051803504
Energy: 1.246496093838635
Energy: 1.2452678010688838
Energy: 1.2448343291118105
Energy: 1.2463328986921183
Energy: 1.2451965295073295
Energy: 1.281635669320395
Energy: 1.2040839917279953
Energy: 1.2036762183950642
Energy: 1.2064036613042453
Energy: 1.2019103072290243
Energy: 1.2023026545751616
Energy: 1.2816616130722525
Energy: 1.2042689947080216
Energy: 1.2040099517904
Energy: 1.2061814645470126
Energy: 1.203942665168332
Energy: 1.2070294640756287
Energy: 1.3293904734462174
Energy: 1.2469718378054946
Energy: 1.251557305270563
Energy: 1.2507827656450754
Energy: 1.247209116808675
Energy: 1.2477097651733966
Energy: 1.3309674534901206
Energy: 1.2307177406610281
Energy: 1.2515417672105096
Energy: 1.2525215913722392
Energy: 1.231892607915144
Energy: 1.2505134330565701
Energy: 1.362809194567145
Energy: 1.2470203417363015
Energy: 1.2457568138401203
Energy: 1.2084730372202317
Energy: 1.246438036612922
Energy: 1.2453072435429666

minimum gb energy = 1.2019103072290243 eV
minimum distance =  2.36347390922764 Angstroms
sigma value = 3


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

Energy: 1.8422494103995433
Energy: 1.5234792793139362
Energy: 1.2754820856519868
Energy: 1.4432140967959763
Energy: 1.5510478031060548
Energy: 1.3703901996144376
Energy: 1.589570408978494
Energy: 1.4372361687835327
Energy: 1.3657587334848655
Energy: 1.349618758230154
Energy: 1.3649636047171396
Energy: 1.358770957087955
Energy: 1.6060823524394752
Energy: 1.4265213584060845
Energy: 1.4263857153237947
Energy: 1.4335917910078257
Energy: 1.474214834961515
Energy: 1.5156781745358003
Energy: 1.526074062844206
Energy: 1.3735961517102886
Energy: 1.3635947466324168
Energy: 1.3471626741201308
Energy: 1.4328188390932517
Energy: 1.3582017467906966
Energy: 1.5468340784746286
Energy: 1.315908508486595
Energy: 1.4817522481087018
Energy: 1.3256631719358851
Energy: 1.3200218612828638
Energy: 1.3116904269228304
Energy: 1.5910388172870564
Energy: 1.3088953088967599
Energy: 1.3082133005609293
Energy: 1.3504095298223293
Energy: 1.3104179862193488
Energy: 1.3060546895155225
Energy: 1.5745243312820878
Energy: 1.3124994439138473
Energy: 1.310278747926703
Energy: 1.3137103557996954
Energy: 1.3088949286492662
Energy: 1.325342808156658
Energy: 1.8194068499315208
Energy: 1.5578626586905644
Energy: 1.5256175306693003
Energy: 1.5222749838132332
Energy: 1.6115396064658882
Energy: 1.5271446733067777
Energy: 1.5491525388951835
Energy: 1.4748280678927432
Energy: 1.528312545643226
Energy: 1.3106076359332843
Energy: 1.4732113369444397
Energy: 1.5263031028468403
Energy: 1.7204824901991158
Energy: 1.5688976306446447
Energy: 1.542769016493181
Energy: 1.5603058070023637
Energy: 1.5394450127411738
Energy: 1.538231769907942
Energy: 1.6035119907581934
Energy: 1.3701120549159627
Energy: 1.4238934352095212
Energy: 1.536051631281736
Energy: 1.3703401995677023
Energy: 1.477176140896247
Energy: 1.6119745929630316
Energy: 1.475595555935354
Energy: 1.4880291494090296
Energy: 1.4866988532053305
Energy: 1.4753656369824153
Energy: 1.4875600487397673
Energy: 1.490996527743836
Energy: 1.474461618343886
Energy: 1.4816555319564138
Energy: 1.3772692623929055
Energy: 1.4739597854481483
Energy: 1.4842012786746415
Energy: 1.690460534707904
Energy: 1.5099058403798922
Energy: 1.5029305165630666
Energy: 1.5350446397589819
Energy: 1.5092063574491594
Energy: 1.6605125688270999
Energy: 1.6283657457999499
Energy: 1.5460190114333392
Energy: 1.5716177456152056
Energy: 1.4421793461247365
Energy: 1.5553571376830349
Energy: 1.5833539434880712
Energy: 1.7284504462484012
Energy: 1.5506310491270447
Energy: 1.5481948053028065
Energy: 1.548920828249777
Energy: 1.57978010084154
Energy: 1.548860476824461
Energy: 1.723865181990313
Energy: 1.559844826442268
Energy: 1.5582882640103877
Energy: 1.535850693381297
Energy: 1.541161933772727
Energy: 1.4938209835851703
Energy: 1.7386799461292357
Energy: 1.4644522823404065
Energy: 1.6075760183410308
Energy: 1.5465218709765671
Energy: 1.522315706939237
Energy: 1.54703977751714
Energy: 1.6408504734366303
Energy: 1.5418769960468013
Energy: 1.535675586063435
Energy: 1.4962871014465864
Energy: 1.5847563271810636
Energy: 1.5030990970550508
Energy: 1.585859808147197
Energy: 1.597495874282484
Energy: 1.5546153384063834
Energy: 1.5070507197526333
Energy: 1.6155800108647385
Energy: 1.501327187490487
Energy: 1.5648133500421315
Energy: 1.4546560947766431
Energy: 1.4551684817119386
Energy: 1.4581367522744584
Energy: 1.4644672704978474
Energy: 1.4563825644529407
Energy: 1.565574027224633
Energy: 1.4563835314042075
Energy: 1.4525340501821207
Energy: 1.4496953795300218
Energy: 1.4560578643483486
Energy: 1.4516638033591012
Energy: 1.56413121229828
Energy: 1.4531628055778438
Energy: 1.4649566816363822
Energy: 1.4547883452237336
Energy: 1.4543167008302058
Energy: 1.4644450247452985
Energy: 1.6507711862903545
Energy: 1.5167299246698118
Energy: 1.517837744128688
Energy: 1.5476651016498537
Energy: 1.516329378172042
Energy: 1.6108049218388498
Energy: 1.591118327779772
Energy: 1.5593764126016794
Energy: 1.5590676251062965
Energy: 1.5336954357065542
Energy: 1.5579315286021662
Energy: 1.546693800947032
Energy: 1.5886923450139776
Energy: 1.620263211058142
Energy: 1.3304267592392107
Energy: 1.3389310356714386
Energy: 1.5512303815484474
Energy: 1.3531469387386696
Energy: 1.368947122651329
Energy: 1.5850156568750757
Energy: 1.4270582923225823
Energy: 1.3431635149387886
Energy: 1.558127700159698
Energy: 1.3556949956615176
Energy: 1.5906301419936926
Energy: 1.55190174479976
Energy: 1.5500089947924165
Energy: 1.5334492967708004
Energy: 1.5585757963177211
Energy: 1.535901361576241
Energy: 1.6383451511587248
Energy: 1.4993020730948758
Energy: 1.4757039607999691
Energy: 1.6052054852485558
Energy: 1.4934747841315803
Energy: 1.5970594324221925
Energy: 1.670138598566062
Energy: 1.4939092257681394
Energy: 1.491919564666508
Energy: 1.6207410941663476
Energy: 1.4601986579522186
Energy: 1.5039213446479396
Energy: 1.5956959269800315
Energy: 1.5234816541939387
Energy: 1.5226094370439989
Energy: 1.518563662017535
Energy: 1.5188663142267467
Energy: 1.5185680720859902
Energy: 1.5555947107695962
Energy: 1.4966380291891461
Energy: 1.4996204637173791
Energy: 1.4876747108867685
Energy: 1.4899202116889376
Energy: 1.499835013172227
Energy: 1.6513209804481062
Energy: 1.535268093216632
Energy: 1.5353343041321483
Energy: 1.5065043694273936
Energy: 1.574260436257205
Energy: 1.4662789400879506
Energy: 1.599731509126204
Energy: 1.478003206437638
Energy: 1.4732342933754061
Energy: 1.4838983038810103
Energy: 1.475105384824043
Energy: 1.4772050131655912
Energy: 1.552993060975327
Energy: 1.4246792368425938
Energy: 1.4815998437786304
Energy: 1.488283686333299
Energy: 1.4265198905628325
Energy: 1.4843388420811954
Energy: 1.629908385148769
Energy: 1.5778623361078146
Energy: 1.5775943189043256
Energy: 1.4690234514696512
Energy: 1.5394610278022658
Energy: 1.4729490735245903
Energy: 1.608074889420451
Energy: 1.4719402994982274
Energy: 1.4776609716806148
Energy: 1.4807419308439331
Energy: 1.4769750644628863
Energy: 1.4778779420941854
Energy: 1.4885556203576067
Energy: 1.5000306273464534
Energy: 1.500802809194469
Energy: 1.374889957116695
Energy: 1.4763006211115803
Energy: 1.4904043697609228
Energy: 1.5705666873324895
Energy: 1.4790829042640408
Energy: 1.483666325042079
Energy: 1.465769190831454
Energy: 1.4762303009840514
Energy: 1.4795891065722195
Energy: 1.5398558181364508
Energy: 1.5638171380876311
Energy: 1.5741656534279826
Energy: 1.444679594846644
Energy: 1.5790929628594514
Energy: 1.579451621705489
Energy: 1.7296526630629914
Energy: 1.5410997624735017
Energy: 1.552689069697868
Energy: 1.5504222961287981
Energy: 1.5385710350325932
Energy: 1.5557466860231595
Energy: 1.6881307395142284
Energy: 1.413369388233648
Energy: 1.3995968770421503
Energy: 1.6054944190517209
Energy: 1.515469886007039
Energy: 1.5605600800705968
Energy: 1.8304297587187055
Energy: 1.4745879104814679
Energy: 1.4791793823236603
Energy: 1.604059279567038
Energy: 1.4746760234551892
Energy: 1.457275353515907
Energy: 1.7344209221456184
Energy: 1.539578129314922
Energy: 1.5419263096100326
Energy: 1.3813886338976071
Energy: 1.5351955957980066
Energy: 1.5452664076353193
Energy: 1.7528127191307448
Energy: 1.3669390355680346
Energy: 1.538033760658016
Energy: 1.5351202119874967
Energy: 1.5961579314068082
Energy: 1.53787971888893
Energy: 1.5577407607522327
Energy: 1.280443668528917
Energy: 1.2747879141580036
Energy: 1.2754416472549779
Energy: 1.2774801164457232
Energy: 1.2728758709428072
Energy: 1.5533103982163332
Energy: 1.4508637825926107
Energy: 1.2855140197081714
Energy: 1.2741585921754766
Energy: 1.2841344173206448
Energy: 1.453390006954402
Energy: 1.5568270003174156
Energy: 1.2784473785353598
Energy: 1.2808835543325916
Energy: 1.3000670392072697
Energy: 1.2736191401373709
Energy: 1.280779493044242
Energy: 1.5874469265014914
Energy: 1.4789572493484617
Energy: 1.3529010302438838
Energy: 1.391482392740581
Energy: 1.4804122492001128
Energy: 1.3645135443415974
Energy: 1.6063931912876506
Energy: 1.4849236976067994
Energy: 1.4723608227636622
Energy: 1.4335348232716723
Energy: 1.470404040294414
Energy: 1.5285535330414974
Energy: 1.4993904337137725
Energy: 1.4234153657366297
Energy: 1.4081619881444445
Energy: 1.3311122939714959
Energy: 1.3843251857071859
Energy: 1.3642287292509656

minimum gb energy = 1.2728758709428072 eV
minimum distance =  2.33623634948705 Angstroms
sigma value = 81


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

Energy: 2.8016550780038862
Energy: 1.3587217261738214
Energy: 1.3887042578602857
Energy: 1.410096237754413
Energy: 1.3710682617713277
Energy: 1.7508597053094288
Energy: 1.246564085430945
Energy: 1.304923234011901
Energy: 1.303121110695194
Energy: 1.2663895562722085
Energy: 1.2639528041222672
Energy: 1.3707091881392428
Energy: 1.2529035119028977
Energy: 1.4336781954617503
Energy: 1.432317456811332
Energy: 1.2629741688235663
Energy: 1.4357741419431265
Energy: 1.488564461753383
Energy: 1.248741687322841
Energy: 1.4344388218037845
Energy: 1.2626969719224477
Energy: 1.2562592653915632
Energy: 1.4364257567351215
Energy: 1.2660530741922946
Energy: 1.5740550953313326
Energy: 1.347089876382931
Energy: 1.5936625544838614
Energy: 1.5757349681999109
Energy: 1.350342837461021
Energy: 1.464797388421802
Energy: 1.5786550294087711
Energy: 1.5875605673698614
Energy: 1.4621026366553955
Energy: 1.5795258928489406
Energy: 1.3453660227466029
Energy: 1.5835142580838635
Energy: 1.56778277758114
Energy: 1.5866578039052646
Energy: 1.587730409169111
Energy: 1.5970083931027443
Energy: 1.5908267876737543
Energy: 1.5880658057561983
Energy: 1.5677031891140405
Energy: 1.6489677358285235
Energy: 1.6477159474072682
Energy: 1.547727072248015
Energy: 1.8424369551631044
Energy: 1.5907322846137115
Energy: 1.5688364862631843
Energy: 1.641596186337206
Energy: 1.6422873549412258
Energy: 1.5704295215421356
Energy: 1.6427432813054772
Energy: 1.5912880940849892
Energy: 1.5782084254397932
Energy: 1.378672165819608
Energy: 1.3776389957325126
Energy: 1.582484192880531
Energy: 1.5060828875997865
Energy: 1.5048914388769388
Energy: 1.5833619865958886
Energy: 1.3406713517084732
Energy: 1.3476848452641885
Energy: 1.5889217362276475
Energy: 1.4408412848591055
Energy: 1.5788318168225812
Energy: 1.4472508666023691
Energy: 1.509833572705173
Energy: 1.508326680404027
Energy: 1.440100345496669
Energy: 1.7232545499665954
Energy: 1.508888347057257
Energy: 1.4916322372016289
Energy: 1.5127029491248742
Energy: 1.5182229964594798
Energy: 1.435726408016266
Energy: 1.5132746296864181
Energy: 1.4327839846795032
Energy: 1.6039041235978542
Energy: 1.4904458259214277
Energy: 1.4944590063063496
Energy: 1.4905350751187567
Energy: 1.496770364566781
Energy: 1.489266729855747
Energy: 1.6150570601960668
Energy: 1.7450548728632815
Energy: 1.5881369091216746
Energy: 1.582095732513913
Energy: 1.6065609974586879
Energy: 1.5815687406422654
Energy: 1.5930844307024326
Energy: 1.5957597798157597
Energy: 1.5960994349954487
Energy: 1.592277001301093
Energy: 1.6713559389405064
Energy: 1.5963172507363188
Energy: 1.6375975668021368
Energy: 1.5580929614091386
Energy: 1.5385176221090446
Energy: 1.6388328623280455
Energy: 1.5585374098221645
Energy: 1.5404538406815684
Energy: 1.958169123847052
Energy: 1.7969864731181429
Energy: 1.8591817804263795
Energy: 1.845470337412966
Energy: 1.7626120177634423
Energy: 1.8530413625169195
Energy: 1.5558512960603974
Energy: 1.7681244057492
Energy: 1.3783256950777807
Energy: 1.379536871197667
Energy: 1.763744375506136
Energy: 1.3757926564827296
Energy: 1.5604374620173773
Energy: 1.7643803284050616
Energy: 1.3780531775089642
Energy: 1.3801232445260865
Energy: 1.7664526648184047
Energy: 1.3766312762524415
Energy: 1.846383358517022
Energy: 1.6480227061569146
Energy: 1.504944744669602
Energy: 1.7288788292761417
Energy: 1.6522339677798714
Energy: 1.7235601738789337
Energy: 1.609112913638275
Energy: 1.4344046327495577
Energy: 1.4387780488365454
Energy: 1.485947300067842
Energy: 1.4325334273964951
Energy: 1.4398126067914305
Energy: 1.4985137187399722
Energy: 1.4853513409378105
Energy: 1.486469907292104
Energy: 1.5000060344700423
Energy: 1.486443833176052
Energy: 1.4891355874343029
Energy: 1.6000382832625648
Energy: 1.5811474508323466
Energy: 1.74461597349422
Energy: 1.580812507453024
Energy: 1.5859921306467506
Energy: 1.5886368611949602
Energy: 1.590728267671726
Energy: 1.5882765320294105
Energy: 1.6592839687529974
Energy: 1.5863556756343695
Energy: 1.5800850187129523
Energy: 1.7680832600696723
Energy: 1.541178876974953
Energy: 1.6435755260104583
Energy: 1.6471461157364364
Energy: 1.5560788076865324
Energy: 1.6442250455186742
Energy: 1.645512056698606
Energy: 1.5508011732587603
Energy: 1.8536070266460845
Energy: 1.6447252456286525
Energy: 1.558194194933353
Energy: 1.6442195431961604
Energy: 1.644074345275439
Energy: 1.5898168309036798
Energy: 1.4467601656322011
Energy: 1.6132997733921308
Energy: 1.5687448637129073
Energy: 1.3323478112878575
Energy: 1.577059007348205
Energy: 1.581633424648309
Energy: 1.5066436915749963
Energy: 1.5056702116718683
Energy: 1.577369895542826
Energy: 1.3619698644095604
Energy: 1.4182916441408522
Energy: 1.595506629285044
Energy: 1.5119504462009268
Energy: 1.5119156093225004
Energy: 1.4924379025399541
Energy: 1.5142077601972894
Energy: 1.5036698961643091
Energy: 1.444519712328654
Energy: 1.7668820870044837
Energy: 1.7253670479395387
Energy: 1.4330199459331547
Energy: 1.5583884780136181
Energy: 1.4341907754036125
Energy: 1.5968603274995097
Energy: 1.4805669258072889
Energy: 1.4827348756697527
Energy: 1.4847040660448065
Energy: 1.284996631539722
Energy: 1.4805613789273957
Energy: 1.5652124261544662
Energy: 1.587527631718472
Energy: 1.5760500568283973
Energy: 1.583368936095211
Energy: 1.3537489667549103
Energy: 1.575926623606484
Energy: 1.5675340944289033
Energy: 1.4614461395181584
Energy: 1.5713554693560112
Energy: 1.5830116747550766
Energy: 1.3531906661452868
Energy: 1.3610408203097553
Energy: 1.6043364189796976
Energy: 1.4607001818183953
Energy: 1.3480754125865995
Energy: 1.4941576539276793
Energy: 1.5579472200166358
Energy: 1.3955677383151137
Energy: 1.8008211024466243
Energy: 1.5479451279315348
Energy: 1.549135486144639
Energy: 1.4093070020296465
Energy: 1.5489393794932445
Energy: 1.8556957390294762
Energy: 1.4260092672458675
Energy: 1.4725203143180943
Energy: 1.3485047726295205
Energy: 1.4083036351500833
Energy: 1.3468561348467214
Energy: 1.359243208815987
Energy: 1.53646559896685
Energy: 1.3761083832974512
Energy: 1.379510573495027
Energy: 1.3985524628188466
Energy: 1.3778061434252162
Energy: 1.6184702006789673

minimum gb energy = 1.246564085430945 eV
minimum distance =  2.17551330491616 Angstroms
sigma value = 43


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

Energy: 1.87849436268347
Energy: 1.362062706256546
Energy: 1.2785062652332202
Energy: 1.4711764876424644
Energy: 1.3594507250936174
Energy: 1.5531586706908445
Energy: 1.366016600540275
Energy: 1.237453568679298
Energy: 1.2866605059763414
Energy: 1.3839161911342435
Energy: 1.2381973975561524
Energy: 1.2900405813524636
Energy: 1.3654631434025748
Energy: 1.3225491800497213
Energy: 1.328745570279487
Energy: 1.3768476094267426
Energy: 1.3212949746554612
Energy: 1.3619700674698285
Energy: 1.3946180215452069
Energy: 1.3456664412908113
Energy: 1.2874844870092452
Energy: 1.3921733345471086
Energy: 1.3457623754700327
Energy: 1.356046855416485
Energy: 1.2922719079516303
Energy: 1.210716279714895
Energy: 1.2107517120354099
Energy: 1.2123095519445368
Energy: 1.2108698340097377
Energy: 1.210602878500399
Energy: 1.28800460888464
Energy: 1.210875641254429
Energy: 1.210742261345443
Energy: 1.2107489120254658
Energy: 1.2110489292773186
Energy: 1.2107586437495914
Energy: 1.2862524321846798
Energy: 1.2121924284287375
Energy: 1.2120499350063545
Energy: 1.2132988938415168
Energy: 1.2139055115090787
Energy: 1.2125126943798554
Energy: 1.4317536377003255
Energy: 1.3870655913169883
Energy: 1.3705481934724717
Energy: 1.2992225967348718
Energy: 1.3787132848114818
Energy: 1.428235891944282
Energy: 1.2876333444307606
Energy: 1.364700861724421
Energy: 1.3813624495218597
Energy: 1.24626436593493
Energy: 1.3575594379287526
Energy: 1.3582893307516348
Energy: 1.5863753940042686
Energy: 1.402710675437286
Energy: 1.4000880506176392
Energy: 1.3376998772080768
Energy: 1.3964245951854626
Energy: 1.4011121618604938
Energy: 1.2940169384822524
Energy: 1.38522321217015
Energy: 1.3842832323315422
Energy: 1.239248817091025
Energy: 1.413673888103704
Energy: 1.237946870723056
Energy: 1.481817678967025
Energy: 1.3576630014660462
Energy: 1.360375707741682
Energy: 1.254556263536816
Energy: 1.3703357708971122
Energy: 1.3585094006878549
Energy: 1.484346847840313
Energy: 1.3592046948933085
Energy: 1.3958484524565873
Energy: 1.3546089730976307
Energy: 1.3877006074109228
Energy: 1.3979355719858997
Energy: 1.2908213554634609
Energy: 1.2391491227157054
Energy: 1.24036239855556
Energy: 1.2369547806294625
Energy: 1.2362521843142729
Energy: 1.240734401709226
Energy: 1.2875958700324461
Energy: 1.2911596825262603
Energy: 1.2388383316479714
Energy: 1.2384094367123823
Energy: 1.2127837365759448
Energy: 1.2384193905935201
Energy: 1.2840382421462215
Energy: 1.2130265491770464
Energy: 1.219059590382925
Energy: 1.2432226749043551
Energy: 1.2124806010253726
Energy: 1.2462071400747678
Energy: 1.3209704011601326
Energy: 1.3064260616498364
Energy: 1.3081312222520554
Energy: 1.298788909375796
Energy: 1.2443609867506082
Energy: 1.3046570132863102
Energy: 1.3246220084184284
Energy: 1.3050930758800832
Energy: 1.29447770804052
Energy: 1.2963080831067542
Energy: 1.2988858162250991
Energy: 1.2963781004922788
Energy: 1.5632586132573782
Energy: 1.2905528891299787
Energy: 1.2962671125953658
Energy: 1.4143930906902582
Energy: 1.2964543475538313
Energy: 1.3760086609571454
Energy: 1.5448955563093705
Energy: 1.2953884609736543
Energy: 1.3016290979382725
Energy: 1.4090971436897444
Energy: 1.3042528018682933
Energy: 1.376095414341403
Energy: 1.3271361644176427
Energy: 1.2891534543877143
Energy: 1.2959727290581384
Energy: 1.2936661787096992
Energy: 1.2608905699374582
Energy: 1.301912719900446
Energy: 1.4153403119839012
Energy: 1.415572492732957
Energy: 1.549969740236056
Energy: 1.2955604701279648
Energy: 1.3686623706433843
Energy: 1.5437125695063116
Energy: 1.497893976821449
Energy: 1.2914622557326991
Energy: 1.2946860111982925
Energy: 1.2775198340250071
Energy: 1.2890212991719399
Energy: 1.2944733044880021
Energy: 1.3791575283271826
Energy: 1.2998668703928367
Energy: 1.3022157642411003
Energy: 1.2648140522588998
Energy: 1.298419345253406
Energy: 1.3021665109169667
Energy: 1.5005821041992793
Energy: 1.2985713632709257
Energy: 1.2918506598824466
Energy: 1.2778830100742173
Energy: 1.3031406415590179
Energy: 1.3014277324013506
Energy: 1.341239751147157
Energy: 1.2389847054920071
Energy: 1.2390228121129874
Energy: 1.2355748247216654
Energy: 1.24119299828697
Energy: 1.2387478269181729
Energy: 1.3440818265236034
Energy: 1.2385950052843806
Energy: 1.2377311514056217
Energy: 1.2398729565421123
Energy: 1.239079235169762
Energy: 1.2371873269098699
Energy: 1.340135209040536
Energy: 1.2380528881984139
Energy: 1.2362763525632572
Energy: 1.2393558734814334
Energy: 1.236005685348395
Energy: 1.2362078882119847
Energy: 1.4000777559546407
Energy: 1.3946795579408255
Energy: 1.3870660007704623
Energy: 1.4291349815989107
Energy: 1.3172003009932127
Energy: 1.2993368049956189
Energy: 1.3656178221156825
Energy: 1.2381953207566705
Energy: 1.237588585394486
Energy: 1.369135384119238
Energy: 1.2376944560936336
Energy: 1.3575041401374885
Energy: 1.5831629236390115
Energy: 1.294703444406763
Energy: 1.3412916952388019
Energy: 1.4346974106746229
Energy: 1.2938422988277614
Energy: 1.3394976953525224

minimum gb energy = 1.210602878500399 eV
minimum distance =  2.33885417354197 Angstroms
sigma value = 57


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

Energy: 1.6792980622224152
Energy: 1.6207657772546558
Energy: 1.5737968070236574
Energy: 1.2999475854036373
Energy: 1.5285240191716218
Energy: 1.5207821596519264
Energy: 1.3113530712821815
Energy: 1.18560037290656
Energy: 1.1851839579647185
Energy: 1.1873307808346776
Energy: 1.1836521281331145
Energy: 1.1845252500463477
Energy: 1.321291931120048
Energy: 1.1940192968453986
Energy: 1.1930324318818486
Energy: 1.3195601920931423
Energy: 1.193667577129757
Energy: 1.1924684989160026
Energy: 1.3848804474357375
Energy: 1.1920271077760145
Energy: 1.1916923809177047
Energy: 1.1827499620676611
Energy: 1.1880752406757624
Energy: 1.186828683712594
Energy: 1.2607636489905238
Energy: 1.1821870582148446
Energy: 1.1821290244666323
Energy: 1.190249994411097
Energy: 1.1834977745444004
Energy: 1.1822866791203874
Energy: 1.2318241396979885
Energy: 1.1822171440742737
Energy: 1.182042429088003
Energy: 1.1822485018180877
Energy: 1.1819037782665038
Energy: 1.1823370760264704
Energy: 1.4316159245064008
Energy: 1.1837648190409673
Energy: 1.1851480854177812
Energy: 1.18288042794654
Energy: 1.1833519244383994
Energy: 1.2117803708820336
Energy: 1.2647820696344874
Energy: 1.317923528909827
Energy: 1.3174788530764532
Energy: 1.2008873250787169
Energy: 1.318000236606128
Energy: 1.3749067250197307
Energy: 1.4302857082096476
Energy: 1.3080347425017984
Energy: 1.2849226095901711
Energy: 1.1859669191599758
Energy: 1.311779423130534
Energy: 1.1866527922327157
Energy: 1.6980024769651783
Energy: 1.324708891098366
Energy: 1.3582393111551565
Energy: 1.442112924373928
Energy: 1.3265297156424813
Energy: 1.3577048327557197
Energy: 1.3409566377336775
Energy: 1.2153457316076806
Energy: 1.183028790144645
Energy: 1.3124984024310447
Energy: 1.2153064113951613
Energy: 1.2869523313540563
Energy: 1.2283225504498931
Energy: 1.3083204910014077
Energy: 1.3091962611712136
Energy: 1.1869302364776813
Energy: 1.3148828411479307
Energy: 1.3452596212883927
Energy: 1.2261247245348188
Energy: 1.3187055666525938
Energy: 1.429099044110952
Energy: 1.4286416409925362
Energy: 1.3182301429153624
Energy: 1.4268276260791768
Energy: 1.3152107085290197
Energy: 1.1904182394060188
Energy: 1.1858559520809904
Energy: 1.3115549412780068
Energy: 1.1879748181189544
Energy: 1.1851225909164986
Energy: 1.345699491166486
Energy: 1.1894186105811444
Energy: 1.1884204095093263
Energy: 1.3182983120089216
Energy: 1.1816459097634378
Energy: 1.1899637660808817
Energy: 1.3867948697922723
Energy: 1.1858606548080537
Energy: 1.1838017365026072
Energy: 1.1927541072762522
Energy: 1.1837184788791693
Energy: 1.1855219470312197
Energy: 1.2665988411894606
Energy: 1.1821085411790135
Energy: 1.181718478175069
Energy: 1.1828374010222888
Energy: 1.1820117924547098
Energy: 1.1815893826289399
Energy: 1.2665288817849607
Energy: 1.1831041439398926
Energy: 1.1906526554705923
Energy: 1.1829062891229072
Energy: 1.1813045638617434
Energy: 1.1915627843607723
Energy: 1.4310131243827986
Energy: 1.3527543817699368
Energy: 1.318905698029026
Energy: 1.1841490115800868
Energy: 1.3190096771453323
Energy: 1.3123466274367113
Energy: 1.43360748425354
Energy: 1.3204496951935445
Energy: 1.3118151505979119
Energy: 1.1836516053576096
Energy: 1.3186832714222678
Energy: 1.3102704940740906
Energy: 1.4252300699736429
Energy: 1.315041974010885
Energy: 1.1879480348533595
Energy: 1.1826088058813944
Energy: 1.310998428900185
Energy: 1.1846695027655532
Energy: 1.4849436249361345
Energy: 1.314868424510321
Energy: 1.3904666370979635
Energy: 1.4043547606869813
Energy: 1.359206238691453
Energy: 1.4045373315527516
Energy: 1.3167324815121018
Energy: 1.2923246709699197
Energy: 1.1921393468527213
Energy: 1.310579195062209
Energy: 1.3119890247573638
Energy: 1.1858008628831358
Energy: 1.2259074401772425
Energy: 1.3205212898953413
Energy: 1.4290076830313825
Energy: 1.4288437590987941
Energy: 1.3196917109983073
Energy: 1.4328674280009719

minimum gb energy = 1.1813045638617434 eV
minimum distance =  2.3403621203201 Angstroms
sigma value = 17


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

Energy: 1.7603669272661737
Energy: 1.4824346112672098
Energy: 1.4192511412626088
Energy: 1.1413739526941546
Energy: 1.5938563032614301
Energy: 1.1462114859891628
Energy: 1.5160453996562613
Energy: 1.154848470352456
Energy: 1.1553369319201312
Energy: 1.3822316515212623
Energy: 1.3312164531469433
Energy: 1.1561958178265235
Energy: 1.2693039837899247
Energy: 1.115472652134307
Energy: 1.1123067133332876
Energy: 1.1896445387231025
Energy: 1.1183790418872372
Energy: 1.1101752072409456
Energy: 1.4282790741590528
Energy: 1.1164505821072188
Energy: 1.1142451886029185
Energy: 1.3315228230028548
Energy: 1.115357250451206
Energy: 1.1576035229185933
Energy: 1.4461865733975066
Energy: 1.0791389448792446
Energy: 1.0790523053815315
Energy: 1.2710660506426072
Energy: 1.0798689747699428
Energy: 1.0804414869377112
Energy: 1.2419910837829833
Energy: 1.090699444887096
Energy: 1.0907918226779048
Energy: 1.0657053513232566
Energy: 1.0908923006579643
Energy: 1.0556623758415264
Energy: 1.2985044630405063
Energy: 1.0570959807126121
Energy: 1.0552880294756601
Energy: 1.0581010783410993
Energy: 1.1344767129490865
Energy: 1.058799158671745
Energy: 1.2038366047114182
Energy: 1.0549162544586688
Energy: 1.0553840310406852
Energy: 1.0558743576353251
Energy: 1.0569929520029235
Energy: 1.0572913971156022
Energy: 1.1602441254068652
Energy: 1.0547870242089694
Energy: 1.0601202838158803
Energy: 1.1615447844707423
Energy: 1.0553849326110378
Energy: 1.0604433932536343
Energy: 1.2028207176878303
Energy: 1.091649324946672
Energy: 1.091133855877388
Energy: 1.0803516460994194
Energy: 1.0920668298994696
Energy: 1.090823731841695
Energy: 1.2922897178573014
Energy: 1.082468181779724
Energy: 1.0804321381252913
Energy: 1.0798434530063057
Energy: 1.0819337020267812
Energy: 1.0794187397341766
Energy: 1.4192017971353696
Energy: 1.1541193538625476
Energy: 1.1540025672035334
Energy: 1.0959878349161718
Energy: 1.3307745218871634
Energy: 1.157393334639683
Energy: 1.4204957781059449
Energy: 1.1922338023236123
Energy: 1.1927804370058275
Energy: 1.098049624465807
Energy: 1.2557388695539622
Energy: 1.1932228223744366
Energy: 1.4678142875597442
Energy: 1.1944061143393752
Energy: 1.1263420548714858
Energy: 1.37560867649203
Energy: 1.191074124055597
Energy: 1.1258126660237893
Energy: 1.413227654891836
Energy: 1.2708396891992235
Energy: 1.2426811465083676
Energy: 1.1929221205830502
Energy: 1.3092320745628272
Energy: 1.2404598467151005
Energy: 1.5168586441521417
Energy: 1.1540899768877255
Energy: 1.1583794709226334
Energy: 1.1947766228185475
Energy: 1.1944268913804335
Energy: 1.1549745964911693
Energy: 1.4955238201807426
Energy: 1.1918672338464953
Energy: 1.2857140357757153
Energy: 1.1336046844285224
Energy: 1.1924595919761867
Energy: 1.2531689101331231

minimum gb energy = 1.0547870242089694 eV
minimum distance =  2.32767591972364 Angstroms
sigma value = 17


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

Energy: 1.2911856518819673
Energy: 1.316295160453899
Energy: 1.1284002458322933
Energy: 1.0492582486204576
Energy: 1.3091806168768751
Energy: 1.1850047344303283
Energy: 1.6327597058326413
Energy: 1.1370231761629908
Energy: 1.096226313639858
Energy: 1.0678112348211926
Energy: 1.1313591790619233
Energy: 1.037094816138838
Energy: 1.7407304067576703
Energy: 1.0909957753253694
Energy: 1.1552212100477615
Energy: 1.0579327321978633
Energy: 1.09078829018588
Energy: 1.1538752241628414
Energy: 1.4977019168819137
Energy: 1.1543633433224112
Energy: 1.154065895479786
Energy: 1.0638131036974743
Energy: 1.0904869578685652
Energy: 1.1542324030015114
Energy: 1.3932868153636584
Energy: 0.9975402580981536
Energy: 1.0002329985163274
Energy: 1.197021260860811
Energy: 0.9955229761761775
Energy: 0.9863134096423342
Energy: 1.2567177948598376
Energy: 0.9849905051950081
Energy: 1.0821618310948249
Energy: 1.0860776701622583
Energy: 1.0421537578654163
Energy: 1.0835502921746716
Energy: 1.3201506933238212
Energy: 0.9945415698780271
Energy: 1.1910371442543655
Energy: 1.1839164794862502
Energy: 1.1915307273147433
Energy: 1.1728233250063507
Energy: 1.3101364158962712
Energy: 1.062653583705093
Energy: 1.1516950612869845
Energy: 1.1562832937679994
Energy: 1.062810224192248
Energy: 1.1514595093898174
Energy: 1.3421107063739144
Energy: 1.1507836742807591
Energy: 1.1488101726101005
Energy: 1.3355572994016272
Energy: 1.1592276097189382
Energy: 1.1576463287394383
Energy: 1.3311276584325602
Energy: 1.1700427480832007
Energy: 1.1715673306840744
Energy: 1.164450573667788
Energy: 1.1696539429067099
Energy: 1.1720753481872959
Energy: 1.3340563062383881
Energy: 1.1503226504324926
Energy: 1.1605523193853888
Energy: 1.1591438773924951
Energy: 1.1630534021727457
Energy: 1.160074899693402
Energy: 1.3904308428137881
Energy: 1.1945445239647297
Energy: 1.1913488311680578
Energy: 1.1729042234859801
Energy: 1.1979003050155899
Energy: 1.1793038532270421
Energy: 1.377156207140502
Energy: 1.2029939361611035
Energy: 1.164095583326672
Energy: 1.1648683148583663
Energy: 1.1975168230426239
Energy: 1.1688407821578735
Energy: 1.381675468591888
Energy: 1.1759358248246061
Energy: 1.1667992389969981
Energy: 1.2343380871190808
Energy: 1.1928561871897319
Energy: 1.1718803798895723
Energy: 1.3822850398099498
Energy: 1.075466400522189
Energy: 1.0744372384997207
Energy: 1.2156668508012216
Energy: 1.0757757310658056
Energy: 1.2418752479884343
Energy: 1.3903368017330273
Energy: 1.2148108219865978
Energy: 1.2234143298121831
Energy: 1.224574397712703
Energy: 1.2882450668116467
Energy: 1.2239007411608618
Energy: 1.2768809960914012
Energy: 1.332988932256095
Energy: 1.3407847854830917
Energy: 1.0804817412528163
Energy: 1.3332705569431673
Energy: 1.1177145273068907
Energy: 1.2709998415292343
Energy: 1.329034276692909
Energy: 1.330034601937983
Energy: 1.1667121100800997
Energy: 1.3284435871267541
Energy: 1.1173961767796565
Energy: 1.498070392980071
Energy: 1.3355288772519285
Energy: 1.2630139018529125
Energy: 1.287166803081277
Energy: 1.118968085343227
Energy: 1.283316057293416
Energy: 1.5938593411779984
Energy: 1.1373790119447447
Energy: 1.1494601546777197
Energy: 1.3481095474652565
Energy: 1.1396140061752857
Energy: 1.2581481073068235
Energy: 1.5934513775038834
Energy: 1.3366169918505857
Energy: 1.2775956769356995
Energy: 1.3479651341236272
Energy: 1.3367717243384787
Energy: 1.2214323400059077
Energy: 1.2224131300147683
Energy: 1.3350695855264147
Energy: 1.1626435927183312
Energy: 1.0435386537284947
Energy: 1.337417510565707
Energy: 1.040527544210194
Energy: 1.2173847898206036
Energy: 1.3424729122013586
Energy: 1.244434764043244
Energy: 0.9808041232437428
Energy: 1.336522083803216
Energy: 1.0739164721204633
Energy: 1.7261540222588863
Energy: 1.1656803949155428
Energy: 1.2822708417537607
Energy: 1.347274039730883
Energy: 1.0936819763891066
Energy: 1.2868633040397635
Energy: 1.483516809989355
Energy: 1.0917572279445302
Energy: 1.1601764354672512
Energy: 1.2823248259611204
Energy: 1.0921237831399662
Energy: 1.1537327056467097
Energy: 1.4840743358356254
Energy: 1.2384280250382407
Energy: 1.2381221232449127
Energy: 1.2850312176789556
Energy: 1.2391249043176529
Energy: 1.2686980861065944
Energy: 1.256906078468959
Energy: 1.2451718481183687
Energy: 1.2652933694430473
Energy: 1.0854456055432722
Energy: 1.2447372088967212
Energy: 1.1060223958147608
Energy: 1.2789438618955715
Energy: 1.2454317141396773
Energy: 1.2461550472532887
Energy: 1.0633959722961346
Energy: 1.2432168416857992
Energy: 1.1809626666211517
Energy: 1.3891515880177816
Energy: 1.1792755527650953
Energy: 1.1836251528181183
Energy: 1.1827526711469256
Energy: 1.210228975963429
Energy: 1.1837758250791055
Energy: 1.3387314725762098
Energy: 1.063636561661822
Energy: 1.1777437522981196
Energy: 1.3164142469609663
Energy: 1.063200691153476
Energy: 1.1763014533806937
Energy: 1.3502985039158384
Energy: 1.1748321176892278
Energy: 1.1737212212316146
Energy: 1.319409398650287
Energy: 1.1622634711364526
Energy: 1.1717406909562142
Energy: 1.2807801145129827
Energy: 1.163291492037162
Energy: 1.1613000057734926
Energy: 1.1926864430829425
Energy: 1.1746241007127904
Energy: 1.1616808425397298
Energy: 1.3768577125266812
Energy: 1.1931124559797912
Energy: 1.1915163373591349
Energy: 1.2002874822291143
Energy: 1.3234580951530706
Energy: 1.1881997463352894
Energy: 1.2909938589266634
Energy: 1.163444407139315
Energy: 1.1676777026957597
Energy: 1.1686498923883242
Energy: 1.1691135047762833
Energy: 1.1688298646146402
Energy: 1.3844233078777892
Energy: 1.1686608138216292
Energy: 1.168466487438928
Energy: 1.195503535119189
Energy: 1.1701186227942202
Energy: 1.1697969433819575
Energy: 1.3772238383514892
Energy: 1.0755999362956585
Energy: 1.186062500974945
Energy: 1.1845981934082341
Energy: 1.0758258745815594
Energy: 1.1880781816987658
Energy: 1.6840736851390472
Energy: 1.185269766816377
Energy: 1.1882030166455926
Energy: 1.1872920279050516
Energy: 1.1889644122416272
Energy: 1.1849969620242962
Energy: 1.2737346685300452
Energy: 1.0882337742014936
Energy: 1.4132211888090978
Energy: 1.1871753887649352
Energy: 1.2914613415488296
Energy: 1.0351787907123224
Energy: 1.2744826220422552
Energy: 1.1030371234720164
Energy: 1.14214681112231
Energy: 1.1204164545799868
Energy: 1.0923309891969124
Energy: 1.1310729824517785
Energy: 1.3833032364798683
Energy: 1.0904609242325647
Energy: 1.0892089381200711
Energy: 1.2209952991385646
Energy: 1.088977673994178
Energy: 1.0323827901095126
Energy: 1.6517102768791811
Energy: 1.127679709766569
Energy: 1.2817534658995682
Energy: 1.1103576472400951
Energy: 1.1280526360935708
Energy: 1.284435210187717
Energy: 1.7640679136814708
Energy: 1.2003231922477442
Energy: 1.1776494002754203
Energy: 1.0585531000725887
Energy: 1.1147663337491918
Energy: 1.0607441699406914
Energy: 1.4580463598027513
Energy: 1.1338178982179836
Energy: 1.1221330242629068
Energy: 1.107432939204843
Energy: 1.1211127943015657
Energy: 1.179350057970838

minimum gb energy = 0.9808041232437428 eV
minimum distance =  2.19036140170882 Angstroms
sigma value = 57


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

Energy: 1.1160370680377076
Energy: 1.2595770316211021
Energy: 1.036878007460353
Energy: 0.9101543915066009
Energy: 1.3034250848515
Energy: 1.0375777059082858
Energy: 1.4531244715110736
Energy: 0.9349321739167566
Energy: 0.9342330536140525
Energy: 1.006885923237021
Energy: 1.0249657394411988
Energy: 0.9713749950798076
Energy: 1.572274136242073
Energy: 0.9027949189839038
Energy: 0.9027836161519128
Energy: 0.9997109832287155
Energy: 0.90277157960959
Energy: 0.9498127558969893
Energy: 1.3282002849704273
Energy: 0.9024579172345085
Energy: 0.9510623303653979
Energy: 1.0002475644669344
Energy: 0.8928189174524469
Energy: 0.9503828557590598
Energy: 1.184906012919457
Energy: 0.9368270052002606
Energy: 0.9363417827499589
Energy: 0.9374531463641973
Energy: 0.9373594750681583
Energy: 0.922447390564025
Energy: 1.0985675393338579
Energy: 0.9204108554024498
Energy: 0.8971210407038898
Energy: 0.8849767700790926
Energy: 0.9202868018949273
Energy: 0.898687341157646
Energy: 1.1307500158896757
Energy: 0.9362106566402062
Energy: 0.9118577433714197
Energy: 0.8892801225612564
Energy: 0.933533876133891
Energy: 0.8880205571810154
Energy: 1.1310598093351227
Energy: 0.8739882733860307
Energy: 0.8745628234611539
Energy: 0.8956636163761724
Energy: 0.8729967995154784
Energy: 0.8830411305638893
Energy: 1.1353721405141823
Energy: 0.8887316644858053
Energy: 0.8845092593854232
Energy: 1.1356528113332611
Energy: 0.8831644745663968
Energy: 0.8975830809887126
Energy: 1.1492295118415021
Energy: 0.8725991347500481
Energy: 0.8726778464511379
Energy: 1.0054913946825352
Energy: 0.8723422843008284
Energy: 0.8722720743861406
Energy: 1.111615252319179
Energy: 0.865514555658858
Energy: 0.8645562294849164
Energy: 0.8660315199161088
Energy: 0.9894790898662923
Energy: 0.8655162188023082
Energy: 1.1348256490140418
Energy: 1.0930608091662055
Energy: 0.8781970356424804
Energy: 0.873886568904051
Energy: 1.1127942810867104
Energy: 0.8775569354728087
Energy: 1.1416770762824013
Energy: 1.0136667571871003
Energy: 1.0110651781454179
Energy: 0.86705000532618
Energy: 1.0126784888505374
Energy: 0.8677835738537572
Energy: 1.106359963518059
Energy: 0.8731417933263792
Energy: 0.8731787365975606
Energy: 1.1083263531191696
Energy: 0.871012394080973
Energy: 1.091458364698067
Energy: 1.1045150547406557
Energy: 0.8684786987580767
Energy: 0.8663255963317456
Energy: 0.9527084259524644
Energy: 0.8681875451264472
Energy: 0.8651769705959271
Energy: 1.1522128537880567
Energy: 0.906000621951311
Energy: 0.878437476102428
Energy: 0.869460978065823
Energy: 1.0086075851974041
Energy: 0.8784798575774023
Energy: 1.108360679662897
Energy: 0.8805770301735731
Energy: 0.8822777120433039
Energy: 0.8696877270387049
Energy: 1.0187747895178478
Energy: 0.8838415935441062
Energy: 1.1505757417809659
Energy: 0.8823797040979788
Energy: 0.8824690646243449
Energy: 0.9226890744830714
Energy: 0.8828106382879553
Energy: 0.8838234552038798
Energy: 1.1884753437221145
Energy: 0.8904709080009909
Energy: 0.8902158307219129
Energy: 0.9365135387055131
Energy: 0.8995078795097268
Energy: 0.9349740574694254
Energy: 1.190491050940786
Energy: 0.9087156318643254
Energy: 0.8905136119409205
Energy: 0.9316054168102055
Energy: 0.8853506598576115
Energy: 0.935132863367618
Energy: 1.3450654144908725
Energy: 0.9345797805182983
Energy: 0.931195080221
Energy: 0.9324155448628844
Energy: 0.9323862659132294
Energy: 0.932876011382474
Energy: 1.1065765265942362
Energy: 1.0008306045199316
Energy: 0.9263589805224581
Energy: 0.8922535572164912
Energy: 0.9997827848868909
Energy: 0.9272932584325468
Energy: 1.208401525031519
Energy: 0.9999005079061287
Energy: 1.0000462262457361
Energy: 0.9489039576749377
Energy: 0.9996869155796073
Energy: 1.0009679581153583
Energy: 1.4542115139141352
Energy: 0.9338924228255282
Energy: 0.920751260533835
Energy: 0.9397820409080292
Energy: 0.9370811757090896
Energy: 0.9223158726762397
Energy: 1.545914980365118
Energy: 0.9387132576831618
Energy: 0.9610614812979401
Energy: 1.0259589622595906
Energy: 0.9361500877468646
Energy: 1.0602949548752671
Energy: 1.5762281543789833
Energy: 1.0101861926050228
Energy: 1.0071992200955195
Energy: 1.0092805121281077
Energy: 1.0090133150170115
Energy: 0.9725915334826899
Energy: 1.1129111260933409
Energy: 1.0268741445470357
Energy: 0.9925448761527774
Energy: 0.9104155481254302
Energy: 1.0256598969966229
Energy: 0.9619972444953061

minimum gb energy = 0.8645562294849164 eV
minimum distance =  2.34141329649607 Angstroms
sigma value = 43


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

Energy: 0.9318043374326167
Energy: 1.0066115965026083
Energy: 0.9079746835369901
Energy: 0.7796531606380719
Energy: 1.0085968969826122
Energy: 0.8687755000291613
Energy: 1.3050081375326408
Energy: 0.7491244535977057
Energy: 0.7516498450220996
Energy: 0.8047046683206357
Energy: 0.7492768851422622
Energy: 0.7543135840329912
Energy: 1.3091926889808303
Energy: 0.7498852818802719
Energy: 0.7633978440346586
Energy: 0.8050226263931816
Energy: 0.74919635784481
Energy: 0.7632821303703368
Energy: 1.1479584792118656
Energy: 0.7635060267234914
Energy: 0.7631970780881475
Energy: 0.7496434348848396
Energy: 0.916681429212958
Energy: 0.781297514079624
Energy: 1.0295056437709087
Energy: 0.7507845750246804
Energy: 0.7515300129163939
Energy: 0.7604865398071836
Energy: 0.7500350226034925
Energy: 0.7535579698148394
Energy: 0.9086109928391288
Energy: 0.7523824207476768
Energy: 0.7453029523696579
Energy: 0.8232489602415645
Energy: 0.7525935886532452
Energy: 0.7363800989506917
Energy: 1.1454003704828122
Energy: 0.7574407458588293
Energy: 0.7519711860455189
Energy: 0.7308454600844572
Energy: 0.7511013625141116
Energy: 0.7287515596475153
Energy: 1.1439154737703239
Energy: 0.7213390772159971
Energy: 0.7228747693566424
Energy: 0.7840949573209796
Energy: 0.7204621489820001
Energy: 0.7830412535576878
Energy: 0.9715864813129976
Energy: 0.7241294012054704
Energy: 0.7281364723650283
Energy: 0.8209631769962654
Energy: 0.735386301277897
Energy: 0.8179990822516178
Energy: 0.9469885767283186
Energy: 0.7184557560089808
Energy: 0.7176778420383451
Energy: 0.7284633180040758
Energy: 0.7185934770084023
Energy: 0.7164037264449932
Energy: 0.9021225465525822
Energy: 0.7651848631005012
Energy: 0.7099634813410824
Energy: 0.7133819633419654
Energy: 0.7121889705635348
Energy: 0.7089136804740069
Energy: 0.9705171755414675
Energy: 0.8858311280614152
Energy: 0.7116074983064768
Energy: 0.7148882420477711
Energy: 0.7954170148891626
Energy: 0.7141258371856326
Energy: 0.9726237805215591
Energy: 0.8011154341142316
Energy: 0.8075482593619633
Energy: 0.7174656580793108
Energy: 0.7950053656947833
Energy: 0.8032068806453299
Energy: 0.9141583821598386
Energy: 0.7863812663143612
Energy: 0.8608871142637319
Energy: 0.8646681507495726
Energy: 0.7951717989355461
Energy: 0.8669567677964596
Energy: 0.9134803879292904
Energy: 0.7099235946270583
Energy: 0.7098283014426404
Energy: 0.8620243995029759
Energy: 0.7100138091339027
Energy: 0.7050560742151789
Energy: 0.9066394688155271
Energy: 0.8392501255478695
Energy: 0.7020049872999135
Energy: 0.7035880571750606
Energy: 0.8859939772669561
Energy: 0.7016064679835291
Energy: 0.9192843654887994
Energy: 0.8649833578624033
Energy: 0.7576108150088491
Energy: 0.7077875432787879
Energy: 0.8576648240712622
Energy: 0.7075939335386303
Energy: 0.9044120325290317
Energy: 0.7923382084256738
Energy: 0.7139570350709187
Energy: 0.7988846788878605
Energy: 0.7861721190555367
Energy: 0.7062673252891389
Energy: 0.9033949737156189
Energy: 0.7870556200234573
Energy: 0.8511812344475895
Energy: 0.903848377198232
Energy: 0.7868321584264976
Energy: 0.8568653264312993
Energy: 0.9043881070752681
Energy: 0.7888834124372591
Energy: 0.7204827917186509
Energy: 0.7016447970983811
Energy: 0.7893944893329512
Energy: 0.7193066369782924
Energy: 0.9398460108715389
Energy: 0.7546590153836304
Energy: 0.7168063390037557
Energy: 0.7148145711193261
Energy: 0.8626494656984732
Energy: 0.7146334625841371
Energy: 0.9067671585038278
Energy: 0.803594863217921
Energy: 0.7028305095308346
Energy: 0.7054344000778101
Energy: 0.8802697197286625
Energy: 0.7026667348772035
Energy: 0.9346259056864178
Energy: 0.7040391873669638
Energy: 0.7115187739638562
Energy: 0.8814282248225672
Energy: 0.7042018657591593
Energy: 0.7108947170944189
Energy: 0.9350567622778347
Energy: 0.8017560884011906
Energy: 0.8815970525066038
Energy: 0.7965616580072269
Energy: 0.7219316778189113
Energy: 0.8832653208989257
Energy: 1.0238504112757445
Energy: 0.8058360382507606
Energy: 0.8188687059676194
Energy: 0.7161623647085269
Energy: 0.8052923162905548
Energy: 0.8195863076366277
Energy: 1.0257754837519124
Energy: 0.8182015058046106
Energy: 0.7309150205262298
Energy: 0.7110398127125709
Energy: 0.7266002313559754
Energy: 0.7105653584297623
Energy: 0.9056991312772956
Energy: 0.7256232084640472
Energy: 0.7257158943788115
Energy: 0.7221053687966115
Energy: 0.7292820783457327
Energy: 0.7218215170368691
Energy: 1.0215582904038596
Energy: 0.7255804140354435
Energy: 0.72644353715392
Energy: 0.7544025804750552
Energy: 0.7252270877478839
Energy: 0.7269275216944344
Energy: 1.0243270650537295
Energy: 0.7432674292246333
Energy: 0.7504569631362524
Energy: 0.749484748929384
Energy: 0.7453990736720529
Energy: 0.7500018034820556
Energy: 1.244836056100785
Energy: 0.736554015028608
Energy: 0.7427952765789834
Energy: 0.8203641079750505
Energy: 0.7345927969722268
Energy: 0.7978598899016682
Energy: 1.2401109453258394
Energy: 0.7563577092814041
Energy: 0.7558086877505045
Energy: 0.7564561068209897
Energy: 0.7563112930127901
Energy: 0.7501566078714085
Energy: 0.9188509858645139
Energy: 0.8024428203868346
Energy: 0.7745417097054549
Energy: 0.7957813469840281
Energy: 0.8039213851449526
Energy: 0.8188080235501364
Energy: 1.0508976763807996
Energy: 0.8053362916948024
Energy: 0.8055030772390676
Energy: 0.7785336382104685
Energy: 0.8047820809854108
Energy: 0.8012915952042247
Energy: 1.2461076280466687
Energy: 0.7945738264219089
Energy: 0.7947707711638345
Energy: 0.7858788731664379
Energy: 0.9470537492846068
Energy: 0.831549994563513
Energy: 1.3109218009296801
Energy: 0.7739154875779508
Energy: 0.7956953330316304
Energy: 0.8477838168056916
Energy: 0.8575903044878099
Energy: 0.7952951385968423
Energy: 1.2442770846020699
Energy: 0.8058380961112763
Energy: 0.8056553347869955
Energy: 0.8054833784547721
Energy: 0.8052231953708385
Energy: 0.7522587923560657

minimum gb energy = 0.7016064679835291 eV
minimum distance =  2.35653743051738 Angstroms
sigma value = 81


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

Energy: 0.7383196994744949
Energy: 1.0600005495966176
Energy: 0.02151912898827518
Energy: 0.024186662879592556
Energy: 1.062577018664006
Energy: 0.7388056254454577
Energy: 1.3989685735259918
Energy: 1.2426134268482867
Energy: 1.0309435141434948
Energy: 1.0596954966466545
Energy: 1.0589695770226417
Energy: 1.2434321354286864
Energy: 1.3672084151628041
Energy: 0.021586703059536787
Energy: 0.0217231488123222
Energy: 1.0938665668984902
Energy: 0.021485986791420126
Energy: 0.07754523788357115
Energy: 1.419421562463418
Energy: 0.021689459362560577
Energy: 0.021705990807535016
Energy: 1.2067821200567719
Energy: 0.021509142921281078
Energy: 0.07697121343981483
Energy: 0.07624293866276569
Energy: 1.254914864842982
Energy: 1.2054668509279063
Energy: 0.07755645317912695
Energy: 1.251657657858709
Energy: 1.2574691526261648
Energy: 0.02254488123018833
Energy: 1.4380851474299814
Energy: 0.0215858792350987
Energy: 0.024526411872719936
Energy: 1.4380205178725025
Energy: 0.02162646246016773
Energy: 1.4734914499745235
Energy: 1.2080497002541142
Energy: 1.2422752487285578
Energy: 1.2541708096418525
Energy: 1.2454410582789401
Energy: 1.2077055205150526
Energy: 1.4593362329217883
Energy: 0.021529234174571806
Energy: 0.021597512084789383
Energy: 1.2552878511439711
Energy: 0.02126889072566802
Energy: 0.02158359189133895
Energy: 1.3303576128527552
Energy: 0.021848248425889876
Energy: 0.07846890091213307
Energy: 1.0607987290730718
Energy: 0.021540944416791736
Energy: 0.07905895091044149
Energy: 0.7392592593624917
Energy: 1.2556479154771685
Energy: 1.0382980413360055
Energy: 0.021629220385529474
Energy: 1.0752597238915622
Energy: 1.2556317161960917

minimum gb energy = 0.02126889072566802 eV
minimum distance =  2.3157092003939 Angstroms
sigma value = 3


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

Energy: 0.8997906998293487
Energy: 0.8887511873892155
Energy: 0.8871876912898684
Energy: 0.8308030731430471
Energy: 0.8876157745602951
Energy: 0.8405171452689245
Energy: 0.9568031101465595
Energy: 0.9060784253181067
Energy: 0.9040083180001277
Energy: 0.9105785920277135
Energy: 0.9184893924022042
Energy: 0.9029377613352397
Energy: 0.9567758547588151
Energy: 0.8522576382443008
Energy: 0.852760468713223
Energy: 0.916393635271348
Energy: 0.8538590345627735
Energy: 0.8840284742889015
Energy: 0.9283764528600423
Energy: 0.8534198865565338
Energy: 0.8538418661879443
Energy: 0.909000084421681
Energy: 0.857120562639606
Energy: 0.885505803889874
Energy: 0.8757804227374834
Energy: 0.9076379757441628
Energy: 0.9045123841163418
Energy: 0.8757335922259735
Energy: 0.9165105198131952
Energy: 0.9033374094440336
Energy: 0.8604986442085238
Energy: 0.9089338800249726
Energy: 0.8786360189524731
Energy: 0.7988427245561434
Energy: 0.9082786034638682
Energy: 0.8380545994925984
Energy: 0.9313030368009215
Energy: 0.9182409617621233
Energy: 0.914305974077217
Energy: 0.9125692860743809
Energy: 0.9180638386184101
Energy: 0.9066392936330758
Energy: 0.9284783044390739
Energy: 0.8600967412812105
Energy: 0.8610174098751359
Energy: 0.9132717482811239
Energy: 0.8216888071471591
Energy: 0.8620437379484869
Energy: 0.9209451730765742
Energy: 0.8632611018980039
Energy: 0.8914805951384339
Energy: 0.9147422639965247
Energy: 0.8882859922075917
Energy: 0.909679557575585
Energy: 0.9077844794006569
Energy: 0.8797436308892704
Energy: 0.8743593072487055
Energy: 0.907647546249397
Energy: 0.8889401603622848
Energy: 0.8838006844724728
Energy: 0.8755493726153862
Energy: 0.8772817362725711
Energy: 0.8784466364377245
Energy: 0.7923436224338869
Energy: 0.89396861459099
Energy: 0.8411274868609652
Energy: 0.8346337983372497
Energy: 0.8911628971624282
Energy: 0.8911024687130255
Energy: 0.8345497178133376
Energy: 0.889936784907586
Energy: 0.8319130700159635
Energy: 0.8327116498331644
Energy: 0.8268102678796375
Energy: 0.8560111645970735
Energy: 0.832752131306804
Energy: 0.7753260569367436
Energy: 0.8571525726319406
Energy: 0.8785009780732744
Energy: 0.8590053750650135
Energy: 0.8572617091221054
Energy: 0.8432245073261188
Energy: 0.8226979554852557
Energy: 0.8633889246745644
Energy: 0.876861758307491
Energy: 0.7985710447741198
Energy: 0.798209144804348
Energy: 0.8767370680012223
Energy: 0.8112557102928032
Energy: 0.7996326087549612
Energy: 0.8754387525762437
Energy: 0.8384327920151506
Energy: 0.8472696657946782
Energy: 0.8406615452783626
Energy: 0.8732923989348688
Energy: 0.8393822233548716
Energy: 0.7830509788923996
Energy: 0.8482857816094266
Energy: 0.8458166532188099
Energy: 0.7829386680401691
Energy: 0.8392901749871481
Energy: 0.7834669278946719
Energy: 0.7832644390049148
Energy: 0.8351068726436381
Energy: 0.8355216807919743
Energy: 0.7834337751718339
Energy: 0.7862740849908092
Energy: 0.8361361432123164
Energy: 0.8659927218437984
Energy: 0.8683823895252986
Energy: 0.8341620175120477
Energy: 0.7886629972713353
Energy: 0.873015801092702
Energy: 0.835076023830351
Energy: 0.8759058255467815
Energy: 0.7826490598777814
Energy: 0.7819614056584517
Energy: 0.874445135304414
Energy: 0.794238611289708
Energy: 0.7828483089297877
Energy: 0.8752105121582114
Energy: 0.837958598874999
Energy: 0.847608038249823
Energy: 0.8727638450457107
Energy: 0.8416884013829121
Energy: 0.8449438639040763
Energy: 0.8009730434773172
Energy: 0.8377253189418569
Energy: 0.8469436302904059
Energy: 0.8002248625500347
Energy: 0.8411447716578823
Energy: 0.8000572887506494
Energy: 0.8015943938600855
Energy: 0.8598556425423239
Energy: 0.859839297823544
Energy: 0.801822994374658
Energy: 0.8587597699370124
Energy: 0.859117351196551
Energy: 0.8766514712463883
Energy: 0.8357071394210576
Energy: 0.8583901181756269
Energy: 0.7852358355523732
Energy: 0.9207390792961345
Energy: 0.8408662338174036
Energy: 0.9042711697057209
Energy: 0.8312303959872087
Energy: 0.8307980259672267
Energy: 0.9050106138466928
Energy: 0.8329912510442616
Energy: 0.8433842082202322
Energy: 0.9009122342238062
Energy: 0.8579830475464006
Energy: 0.8589363426001762
Energy: 0.901749012619705
Energy: 0.8238445190619347
Energy: 0.8795858523602323
Energy: 0.8863006535229508
Energy: 0.8583753496258204
Energy: 0.8593021369276537
Energy: 0.8790352873044777
Energy: 0.8978548692094993
Energy: 0.8842946879026007
Energy: 0.8453464133657153
Energy: 0.908894660074573
Energy: 0.9090326781459145
Energy: 0.8455433834113347
Energy: 0.9080146640665945
Energy: 0.9085393785374669
Energy: 0.8724351924560036
Energy: 0.9078640984136187
Energy: 0.8862512319688399
Energy: 0.7926854416879286
Energy: 0.9120539922392312
Energy: 0.8418879491468779
Energy: 0.9022192401536032
Energy: 0.9093264315607111
Energy: 0.905750256148279
Energy: 0.9016986734169274
Energy: 0.911437968908103
Energy: 0.907730834725955
Energy: 0.9093863931456186
Energy: 0.8602679170152399
Energy: 0.8601808823707535
Energy: 0.9093868755967106
Energy: 0.818641595359969
Energy: 0.8607111772896882
Energy: 0.9588111380620541
Energy: 0.8633609420667299
Energy: 0.9034848516320245
Energy: 0.9082717183681442
Energy: 0.8790731519541148
Energy: 0.9046693555081914
Energy: 0.8596699407189079
Energy: 0.9093288147270511
Energy: 0.9081242117048217
Energy: 0.8597035800003834
Energy: 0.9093668431980342
Energy: 0.8933374168409259

minimum gb energy = 0.7753260569367436 eV
minimum distance =  2.28183998323378 Angstroms
sigma value = 67


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

Energy: 1.129511548573654
Energy: 1.1030902456942184
Energy: 1.1182141860177726
Energy: 1.0572439438737886
Energy: 1.1040058784364035
Energy: 1.1188866322495312
Energy: 1.1750086142677876
Energy: 1.1177351694323387
Energy: 1.094046364072104
Energy: 1.113295798256081
Energy: 1.1115932189408726
Energy: 1.0905708944761663
Energy: 1.2049638815295627
Energy: 1.0689928678723755
Energy: 1.0765368036034129
Energy: 1.1046674093556774
Energy: 1.07039232236488
Energy: 1.076938656370103
Energy: 1.131178351288013
Energy: 1.078448049394762
Energy: 1.0780543868644565
Energy: 1.1098035117021994
Energy: 1.0782012428039052
Energy: 1.0787125534633277
Energy: 1.1320766903834896
Energy: 1.1122836395370033
Energy: 1.1156783862518849
Energy: 1.1071979018581153
Energy: 1.111836805358672
Energy: 1.0940095535550693
Energy: 1.0699272924107173
Energy: 1.0921467474372033
Energy: 1.0833113347212433
Energy: 1.0737127617314859
Energy: 1.0903420212599093
Energy: 1.082292415420639
Energy: 1.1378193471050293
Energy: 1.1139309956526255
Energy: 1.1172332886783338
Energy: 1.1146165205684146
Energy: 1.1139035670942474
Energy: 1.1013447453088518
Energy: 1.134438639090605
Energy: 1.0750320234857667
Energy: 1.0841386181032482
Energy: 1.1146768609627329
Energy: 1.055233463044786
Energy: 1.0991909978182606
Energy: 1.112971087565571
Energy: 1.0983757071956788
Energy: 1.1141370116172955
Energy: 1.1082978273424635
Energy: 1.1161615986641509
Energy: 1.1114746461502838
Energy: 1.1108622337587326
Energy: 1.083246016160818
Energy: 1.0922369777791403
Energy: 1.1113795439571528
Energy: 1.0950991639153107
Energy: 1.0990764120840097
Energy: 1.0976184484760143
Energy: 1.0924651851392808
Energy: 1.0919380939997672
Energy: 1.060833865117621
Energy: 1.099084408242562
Energy: 1.0853340457445402
Energy: 1.0694756028130834
Energy: 1.0922253067421495
Energy: 1.0914516405107528
Energy: 1.055942829967608
Energy: 1.0832999389017486
Energy: 1.0583262576116885
Energy: 1.0548203565517977
Energy: 1.0697428799020592
Energy: 1.0831649236685936
Energy: 1.0552448353841466
Energy: 1.062620926886995
Energy: 1.0682590244015382
Energy: 1.094349967054446
Energy: 1.079866795031614
Energy: 1.0821764374487064
Energy: 1.0606463862805224
Energy: 1.0998822712296759
Energy: 1.0818615445734856
Energy: 1.098995991973561
Energy: 1.0669996275647
Energy: 1.0715499999629476
Energy: 1.0997314976223496
Energy: 1.0630614678190446
Energy: 1.0536554283414201
Energy: 1.1002258817528252
Energy: 1.0945986741334706
Energy: 1.091282885571254
Energy: 1.091081302601302
Energy: 1.1097145692626478
Energy: 1.0898652972916711
Energy: 1.087644026044573
Energy: 1.07831266412848
Energy: 1.0793846527326045
Energy: 1.0886043169360402
Energy: 1.0515473831261317
Energy: 1.0903004178042741
Energy: 1.0868369479261892
Energy: 1.1121960480181154
Energy: 1.1134309593287424
Energy: 1.087641034794695
Energy: 1.1142436845175603
Energy: 1.103500563611115
Energy: 1.0758637630753487
Energy: 1.102285837273679
Energy: 1.0870495006393117
Energy: 1.0649236715520976
Energy: 1.1016758763838053
Energy: 1.087323423226819
Energy: 1.1059727755170143
Energy: 1.107390209306572
Energy: 1.1133867924681915
Energy: 1.1072707628712515
Energy: 1.1197565550162754
Energy: 1.115328577135471
Energy: 1.105757854117532
Energy: 1.0975295415565545
Energy: 1.09565459046619
Energy: 1.10634299554992
Energy: 1.076768465327213
Energy: 1.1137347428726796
Energy: 1.2068451795674404
Energy: 1.072996666507501
Energy: 1.0950146417397002
Energy: 1.1023344725933213
Energy: 1.0740695309119954
Energy: 1.0946948938776595
Energy: 1.1560872555150967
Energy: 1.1177267539929183
Energy: 1.120378429093658
Energy: 1.1031489936549062
Energy: 1.1123419748270327
Energy: 1.1064317049379568

minimum gb energy = 1.0515473831261317 eV
minimum distance =  2.29148147562669 Angstroms
sigma value = 33


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

Energy: 1.3372212447141507
Energy: 1.327567751082313
Energy: 1.3101283798670866
Energy: 1.2563359528087792
Energy: 1.328544520269597
Energy: 1.3021346792018154
Energy: 1.4702422827985735
Energy: 1.3067459301861306
Energy: 1.2980208016639587
Energy: 1.3133224037459446
Energy: 1.308188684838167
Energy: 1.2967862270183632
Energy: 1.429609986122649
Energy: 1.2711696141620186
Energy: 1.270403779994218
Energy: 1.2979386682695837
Energy: 1.2714663959425068
Energy: 1.2692792335531728
Energy: 1.3468092378507868
Energy: 1.269279509159863
Energy: 1.2694712861852728
Energy: 1.2989316571971818
Energy: 1.2689315221148258
Energy: 1.269360663915436
Energy: 1.279298050239251
Energy: 1.3081960162919917
Energy: 1.297527031986828
Energy: 1.2757797194644513
Energy: 1.3041732672618274
Energy: 1.2960664558561026
Energy: 1.2591078874323456
Energy: 1.2920127937218704
Energy: 1.2968773232320217
Energy: 1.2606541298451002
Energy: 1.2894831007441299
Energy: 1.2687651244362832
Energy: 1.3472443040018185
Energy: 1.2992980990377816
Energy: 1.296396152694701
Energy: 1.2977984262851643
Energy: 1.297941285809335
Energy: 1.2903897719672064
Energy: 1.3466203214407386
Energy: 1.2781189864299216
Energy: 1.2921723703824886
Energy: 1.3008993273077867
Energy: 1.281916920699715
Energy: 1.2918143858679814
Energy: 1.2882126198638733
Energy: 1.2903940026194678
Energy: 1.2934585863682193
Energy: 1.2900738283163216
Energy: 1.2931016471489718
Energy: 1.293451353406067
Energy: 1.2889152615714616
Energy: 1.28040762877066
Energy: 1.2798090207138328
Energy: 1.2908420256194424
Energy: 1.2919563585351683
Energy: 1.2838896190291065
Energy: 1.2865839266328916
Energy: 1.2780850685835892
Energy: 1.2779980505146369
Energy: 1.283000810028041
Energy: 1.291208847305031
Energy: 1.277410653087508
Energy: 1.2912921442998857
Energy: 1.28192289753903
Energy: 1.2772868921844909
Energy: 1.290999523390483
Energy: 1.2643812568572048
Energy: 1.2801104661868932
Energy: 1.2889151432832986
Energy: 1.2927432847723577
Energy: 1.290179819897752
Energy: 1.2892947330215325
Energy: 1.2910826087528373
Energy: 1.2801182816958838
Energy: 1.2735181411564678
Energy: 1.2907240176074142
Energy: 1.2911426658145306
Energy: 1.2705665546721212
Energy: 1.2884654896167025
Energy: 1.2631956593551423
Energy: 1.290507778607075
Energy: 1.2940528896582966
Energy: 1.2933807082245143
Energy: 1.2919602691621082
Energy: 1.2890794389877207
Energy: 1.2969228143659757
Energy: 1.3095712531226946
Energy: 1.2886114465386513
Energy: 1.2881482333293357
Energy: 1.3061892954224419
Energy: 1.2727888211378315
Energy: 1.3087279745780473
Energy: 1.430229204988134
Energy: 1.265351361885083
Energy: 1.284544030924056
Energy: 1.2936002589016866
Energy: 1.273599103094102
Energy: 1.287820638602586
Energy: 1.4410113860865934
Energy: 1.3183562031971228
Energy: 1.3080474750184148
Energy: 1.2923810068667907
Energy: 1.313170104338259
Energy: 1.3311586266745075
Energy: 1.2311746826888756
Energy: 1.291932941995331
Energy: 1.2695268293189113
Energy: 1.2490585006224295
Energy: 1.2955762719969626
Energy: 1.2634319202052635
Energy: 1.3791051360481905
Energy: 1.3088903356414723
Energy: 1.3001211935064372
Energy: 1.2638407128919977
Energy: 1.3052625813759564
Energy: 1.2964863441497436
Energy: 1.4313861247083282
Energy: 1.2771762503990607
Energy: 1.2685752460048838
Energy: 1.298905146540074
Energy: 1.268574475182115
Energy: 1.2680772089749366
Energy: 1.3361327692776015
Energy: 1.271880925914203
Energy: 1.2705962826270276
Energy: 1.298248225027852
Energy: 1.2719159805061881
Energy: 1.269442608515526
Energy: 1.3541352918309115
Energy: 1.310306601913003
Energy: 1.2986132481787425
Energy: 1.311410599745302
Energy: 1.3072803948756662
Energy: 1.2970232483575315
Energy: 1.2548637524349755
Energy: 1.2919064102485878
Energy: 1.2936486020018436
Energy: 1.260832330647969
Energy: 1.2913865657410006
Energy: 1.267448769828421
Energy: 1.3473997778328073
Energy: 1.3028239677148525
Energy: 1.3014078091728354
Energy: 1.2985911066195148
Energy: 1.2925239738123246
Energy: 1.308595303682056
Energy: 1.3457701845370755
Energy: 1.2783507159315806
Energy: 1.2911922289010975
Energy: 1.3042464241666303
Energy: 1.2813502331450914
Energy: 1.292288089914171
Energy: 1.2859289094282005
Energy: 1.2897850068695569
Energy: 1.2925723546326453
Energy: 1.289621895668685
Energy: 1.286586639867411
Energy: 1.292107101062405
Energy: 1.28980369717099
Energy: 1.2810878633938247
Energy: 1.2812672324126182
Energy: 1.289381859688298
Energy: 1.2931534386004127
Energy: 1.2815269566882879
Energy: 1.2854793086638197
Energy: 1.2962431004009516
Energy: 1.2779773552893205
Energy: 1.2822661816831642
Energy: 1.2926651831102465
Energy: 1.2773694257412158
Energy: 1.2922841533050944
Energy: 1.280166026551814
Energy: 1.2783767701767188
Energy: 1.2918388379614694
Energy: 1.2657828536726006
Energy: 1.2774408576370806
Energy: 1.290062391065083
Energy: 1.2932667954854988
Energy: 1.2812212334808144
Energy: 1.29004279479438
Energy: 1.291306124656119
Energy: 1.2801434025764393
Energy: 1.2749482137718458
Energy: 1.2901956302092048
Energy: 1.291483191271913
Energy: 1.2722347503032851
Energy: 1.2906379273358946
Energy: 1.2728361404859245
Energy: 1.2910076723238355
Energy: 1.2924415362897494
Energy: 1.292170075580872
Energy: 1.2828552765293066
Energy: 1.2904302744215352
Energy: 1.296089488331223
Energy: 1.3076351535990063
Energy: 1.2886842436241825
Energy: 1.3076318587170879
Energy: 1.308875474238167
Energy: 1.2757510826720964
Energy: 1.3073075824988867
Energy: 1.429710404785829
Energy: 1.2655087479160343
Energy: 1.282784610616111
Energy: 1.2931722565963066
Energy: 1.2561322341414964
Energy: 1.2898332148081235
Energy: 1.44031313033065
Energy: 1.3140719652551658
Energy: 1.3137852272595125
Energy: 1.2913059298638028
Energy: 1.3147113623187814
Energy: 1.307893699248027
Energy: 1.2311400845309919
Energy: 1.2948441323611657
Energy: 1.2702136437873879
Energy: 1.2481012423082665
Energy: 1.2959441955542381
Energy: 1.2617124672267999

minimum gb energy = 1.2311400845309919 eV
minimum distance =  2.31883034366171 Angstroms
sigma value = 41


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

Energy: 1.615786840478803
Energy: 1.6027188061238928
Energy: 1.6590064355500636
Energy: 1.5811345922137992
Energy: 1.5995302734692955
Energy: 1.5891606275325936
Energy: 1.7490285927188727
Energy: 1.5950188253357742
Energy: 1.5977134646109028
Energy: 1.6078512869043164
Energy: 1.5931862057928927
Energy: 1.5762788720481267
Energy: 1.7479520800494004
Energy: 1.5563216251948868
Energy: 1.5541612872452994
Energy: 1.6016639674164102
Energy: 1.5589807483488418
Energy: 1.5815791293414858
Energy: 1.5963871333682156
Energy: 1.5560953190642117
Energy: 1.5550689259042665
Energy: 1.5970057867496785
Energy: 1.5561789529979482
Energy: 1.6058127847209638
Energy: 1.603565226478006
Energy: 1.5894830403207574
Energy: 1.5973420913620995
Energy: 1.6059517684850473
Energy: 1.5908686806850827
Energy: 1.5747375127952008
Energy: 1.5604426366458268
Energy: 1.5898696754071668
Energy: 1.573646053318925
Energy: 1.5544334994607172
Energy: 1.589622568478557
Energy: 1.5725040585277568
Energy: 1.673858640583999
Energy: 1.604888893659587
Energy: 1.5933287688019544
Energy: 1.5765482437958753
Energy: 1.604378692304939
Energy: 1.5687383790372387
Energy: 1.6722693666913953
Energy: 1.5758019786391662
Energy: 1.574121987087433
Energy: 1.5766809960331263
Energy: 1.5729615480042858
Energy: 1.5745151337837433
Energy: 1.5587313265959448
Energy: 1.5749365282411056
Energy: 1.570428992003458
Energy: 1.5635354441061362
Energy: 1.5777524319465215
Energy: 1.5693115437110847
Energy: 1.5833276613246783
Energy: 1.5751536833271558
Energy: 1.5711956446469308
Energy: 1.577999673090212
Energy: 1.5810886968057225
Energy: 1.5704681841289054
Energy: 1.5860909262417155
Energy: 1.597322120486462
Energy: 1.609250430069775
Energy: 1.5878100093804821
Energy: 1.5894720526136663
Energy: 1.6046921247768111
Energy: 1.794941991197439
Energy: 1.562552298548615
Energy: 1.5658229147725595
Energy: 1.5916100975618397
Energy: 1.565945571604383
Energy: 1.5642097480616324
Energy: 1.8001244822679265
Energy: 1.6074489713402236
Energy: 1.6056096546276588
Energy: 1.5958232590000785
Energy: 1.6037659884796787
Energy: 1.5733041235168495
Energy: 1.5493003492938204
Energy: 1.5918225601840466
Energy: 1.5645643770326367
Energy: 1.5475868489637714
Energy: 1.5893979279593475
Energy: 1.5626423820060897

minimum gb energy = 1.5475868489637714 eV
minimum distance =  2.31182880550561 Angstroms
sigma value = 11


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

Energy: 1.9042493591995422
Energy: 1.9397002698287986
Energy: 1.930973387191729
Energy: 1.835264152578575
Energy: 1.9390952074224426
Energy: 1.9390747282208958
Energy: 2.1351502880880475
Energy: 1.8161776203018878
Energy: 1.8098058247034472
Energy: 1.8161938305990881
Energy: 1.8250089281949298
Energy: 1.8151038765315675
Energy: 2.1469726685064177
Energy: 1.7930989490030997
Energy: 1.7919345354532406
Energy: 1.821767622648178
Energy: 1.7944467252843002
Energy: 1.8205317606594653
Energy: 1.8527283891325375
Energy: 1.792911506363905
Energy: 1.81828150853576
Energy: 1.8217936580729757
Energy: 1.7934775317447282
Energy: 1.8166917619928493
Energy: 1.8482763598447485
Energy: 1.810781906091212
Energy: 1.806686646408272
Energy: 1.8165896823877432
Energy: 1.805223422638942
Energy: 1.8057508493973649
Energy: 1.851497792812291
Energy: 1.7874701151117076
Energy: 1.7869605413229077
Energy: 1.8073819030463285
Energy: 1.7894627599273865
Energy: 1.7879270668955973
Energy: 1.8644269755474585
Energy: 1.788513346474747
Energy: 1.7872389327333462
Energy: 1.7890801909376661
Energy: 1.7818380985940632
Energy: 1.7867739451378222
Energy: 1.9914036458648272
Energy: 1.804685787194486
Energy: 1.80689999261192
Energy: 1.8059315669067841
Energy: 1.81362686834547
Energy: 1.8066779513758084
Energy: 1.8362148959208058
Energy: 1.8200905424888785
Energy: 1.8198325406021088
Energy: 1.7861345649246487
Energy: 1.8213013351336051
Energy: 1.8002620836589236
Energy: 1.8358263251799813
Energy: 1.820150504872856
Energy: 1.8194112163856369
Energy: 1.7851364342703144
Energy: 1.821185691281764
Energy: 1.799973709451008
Energy: 1.9310536281506323
Energy: 1.819617533785828
Energy: 1.8139622901839836
Energy: 1.810703394221389
Energy: 1.834987931392644
Energy: 1.8155053693983376
Energy: 1.8771069225022814
Energy: 1.7882980893828357
Energy: 1.7882224937901832
Energy: 1.8473464945439622
Energy: 1.7799760121645036
Energy: 1.7880499118288495
Energy: 1.8618494782030963
Energy: 1.8003681353799368
Energy: 1.801000585600129
Energy: 1.8344815909539864
Energy: 1.8019755842918916
Energy: 1.8148668152990195
Energy: 1.8485094215818072
Energy: 1.8018652171897018
Energy: 1.8008649240692605
Energy: 1.7954294897274192
Energy: 1.7997402648981147
Energy: 1.8008253193582129
Energy: 1.8623271674373647
Energy: 1.8024430907365363
Energy: 1.7999211090933085
Energy: 1.8057738404385124
Energy: 1.80172963040283
Energy: 1.8009966470978982
Energy: 1.9623290635555208
Energy: 1.8020222171465827
Energy: 1.8012797617773824
Energy: 1.8004509930690875
Energy: 1.799576518786326
Energy: 1.8024863717789068
Energy: 1.8601322126001851
Energy: 1.8006655678012302
Energy: 1.801438512403424
Energy: 1.810136590562298
Energy: 1.8005696653961287
Energy: 1.8010274389184489
Energy: 1.8447824147071457
Energy: 1.8709575762668902
Energy: 1.8363916379188914
Energy: 1.8028751136476138
Energy: 1.8382507485645672
Energy: 1.7797459100018345
Energy: 1.8448321080527224
Energy: 1.8002518157897633
Energy: 1.8021629849664096
Energy: 1.8525885409652576
Energy: 1.8005903378998844
Energy: 1.8005149501706779
Energy: 1.8712751195390995
Energy: 1.794064834931937
Energy: 1.7925721430740351
Energy: 1.84762985873196
Energy: 1.7953067589490934
Energy: 1.8313789536195462
Energy: 2.0316211302961222
Energy: 1.7929454844118031
Energy: 1.8249220449930295
Energy: 1.8443241262633516
Energy: 1.7931799813891123
Energy: 1.8227667040042932
Energy: 1.9051083869772711
Energy: 1.8254617505039212
Energy: 1.8247010597910394
Energy: 1.824436809891832
Energy: 1.8332268115129042
Energy: 1.8297590363556917
Energy: 1.8633942795843244
Energy: 1.8499542072915427
Energy: 1.814756315522886
Energy: 1.787262825263036
Energy: 1.8359487333142082
Energy: 1.8006273371097044
Energy: 2.052784294743912
Energy: 1.7999204543861405
Energy: 1.8004575352687762
Energy: 1.800752980720496
Energy: 1.8519083625404509
Energy: 1.8005456158850015
Energy: 1.9305748548334138
Energy: 1.8014026558056822
Energy: 1.8000975750190895
Energy: 1.8706922925320737
Energy: 1.7999252326945816
Energy: 1.796720638687986
Energy: 1.8503868866794169
Energy: 1.8015028326642373
Energy: 1.803172335818415
Energy: 1.8012610325026144
Energy: 1.8006937106514498
Energy: 1.8016104997848188
Energy: 1.851516551043216
Energy: 1.800266748803158
Energy: 1.8031715506716617
Energy: 1.8006474694695118
Energy: 1.7998415595386075
Energy: 1.80070545718085
Energy: 1.8472399095416734
Energy: 1.8002245074096919
Energy: 1.8028613633161075
Energy: 1.8009564472714603
Energy: 1.80133252396139
Energy: 1.799959580707309
Energy: 1.8583548285456308
Energy: 1.792402446524012
Energy: 1.7912067720111657
Energy: 1.8394335747613724
Energy: 1.7944211989352674
Energy: 1.7906216358124727
Energy: 2.154440084963035
Energy: 1.855463710715182
Energy: 1.8006534810439039
Energy: 1.801714464191028
Energy: 1.8352452536432748
Energy: 1.7989001485248883
Energy: 1.8638916669658379
Energy: 1.830306485267013
Energy: 1.806000072177827
Energy: 1.7849078759480934
Energy: 1.8163670507597116
Energy: 1.7974171178600062

minimum gb energy = 1.7797459100018345 eV
minimum distance =  2.28445739449189 Angstroms
sigma value = 57


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

Energy: 2.7241607110959016
Energy: 1.995487745755763
Energy: 1.991622168247076
Energy: 1.9874320607427436
Energy: 1.9928045319519423
Energy: 1.991885217925574
Energy: 2.1706975171355674
Energy: 1.92552752772822
Energy: 1.92609584357897
Energy: 1.9295335272297198
Energy: 1.9275409472584444
Energy: 1.9266428320268578
Energy: 2.1954878149800465
Energy: 1.903253612988722
Energy: 1.902627314180933
Energy: 1.9908170610421883
Energy: 1.9047403935466234
Energy: 1.9298380873389345
Energy: 2.0083797847263543
Energy: 1.925453503910057
Energy: 1.9232288332669716
Energy: 1.9262426506652852
Energy: 1.9078074748019953
Energy: 1.9243396936049157
Energy: 1.977082482696587
Energy: 1.929022279937048
Energy: 1.924512662812478
Energy: 1.9266742177463596
Energy: 1.9250881038570518
Energy: 1.9231606281617297
Energy: 1.9993708161802035
Energy: 1.9253844875184711
Energy: 1.9241271872524648
Energy: 1.9266534078927862
Energy: 1.9281441834349937
Energy: 1.9232661717589725
Energy: 2.0127824246185586
Energy: 1.9050281389305763
Energy: 1.9051106020242041
Energy: 1.9298106204300998
Energy: 1.9073436253172633
Energy: 1.9226543897217774
Energy: 2.191513993817965
Energy: 1.926132552885543
Energy: 1.9272938627771823
Energy: 1.9256811286496582
Energy: 1.9257656848240534
Energy: 1.9263280311029636
Energy: 2.018876131827271
Energy: 1.9282422894991977
Energy: 1.9079060153999308
Energy: 1.912488466298911
Energy: 1.9269196722956026
Energy: 1.9084844591778765
Energy: 2.0193482143238777
Energy: 1.928371207418652
Energy: 1.9081379511544785
Energy: 1.9126308022988996
Energy: 1.9249901213597789
Energy: 1.9083052113826948
Energy: 2.180773654972689
Energy: 1.9260820668487724
Energy: 1.923669293941745
Energy: 1.9937955391334559
Energy: 1.9267742201382652
Energy: 1.9224897685713052
Energy: 1.9947855884223675
Energy: 1.903004950377988
Energy: 1.9021643479033779
Energy: 1.9278496006324375
Energy: 1.9047024958499874
Energy: 1.9301688279793878
Energy: 1.9791678473029222
Energy: 1.930108412212733
Energy: 1.9256804177029945
Energy: 1.9278553992666971
Energy: 1.9259695115159878
Energy: 1.9243169742760036
Energy: 2.004623983218332
Energy: 1.925538029801739
Energy: 1.9241385483253486
Energy: 1.9269118239475844
Energy: 1.927613160983811
Energy: 1.923468290427655
Energy: 1.9714225685705273
Energy: 1.907133340832996
Energy: 1.9227785905200876
Energy: 1.927754864531836
Energy: 1.9056534614153742
Energy: 1.9223933653613021
Energy: 2.206998447581603
Energy: 1.9071434220345151
Energy: 1.9064443330263778
Energy: 1.9280347108606086
Energy: 1.9115214035415786
Energy: 1.9261475268233859
Energy: 1.9932161828020674
Energy: 1.926034741879472
Energy: 1.9264875083024098
Energy: 1.9131349671422808
Energy: 1.9274569266463026
Energy: 1.9272098504686266

minimum gb energy = 1.9021643479033779 eV
minimum distance =  2.28611244226905 Angstroms
sigma value = 9


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

Energy: 2.1590466147914062
Energy: 2.043456194645613
Energy: 2.0082227849868604
Energy: 2.029916403651068
Energy: 2.03333231736986
Energy: 2.006383875888548
Energy: 2.1321042209371788
Energy: 1.9662075405084443
Energy: 1.9671881864700325
Energy: 1.9653734968453445
Energy: 1.9686049236486587
Energy: 1.9776971493210085
Energy: 2.1295596176885603
Energy: 2.032370259961985
Energy: 1.9818865791878582
Energy: 2.003411310604878
Energy: 2.029737707131458
Energy: 1.9807050029341897
Energy: 1.9656565409684006
Energy: 1.9879098078039814
Energy: 1.9763286616380227
Energy: 1.9882330760465785
Energy: 1.9461520552311158
Energy: 1.9742497153217267
Energy: 1.964770832206307
Energy: 1.9346613372418786
Energy: 1.9357984372836279
Energy: 1.965813583602764
Energy: 1.9344234285899762
Energy: 1.9373263309389477
Energy: 1.9624917791484244
Energy: 1.9326946249812882
Energy: 1.9295001077578655
Energy: 1.9418045397782462
Energy: 1.9381499872828345
Energy: 1.9312771353847262
Energy: 1.9933698046215365
Energy: 2.0475710908480713
Energy: 1.9927958456039967
Energy: 1.9257611674505355
Energy: 2.053243215788036
Energy: 1.9936342652790333
Energy: 2.157713358861411
Energy: 1.93664225739051
Energy: 1.9337553359329998
Energy: 1.9321193068236782
Energy: 1.9340107593128255
Energy: 1.9329856394827007
Energy: 2.112046541777195
Energy: 1.9319753695268544
Energy: 1.9314993527873399
Energy: 2.0015887041694174
Energy: 1.9334142593731254
Energy: 1.976954794105403
Energy: 2.1085944772020744
Energy: 1.9325601361788498
Energy: 1.9316088921722077
Energy: 2.0018207757070865
Energy: 1.934419537366479
Energy: 1.9321168580521935
Energy: 2.1610377912086975
Energy: 1.950393041421216
Energy: 1.948725465317857
Energy: 1.9324886751998336
Energy: 1.9347002873126429
Energy: 1.946997010473652
Energy: 2.096033697418765
Energy: 1.978750591119814
Energy: 1.9769976865852568
Energy: 1.968667776498495
Energy: 1.9747713715502904
Energy: 1.9775914959034215
Energy: 2.088906611037274
Energy: 1.981350271828915
Energy: 1.9813990230828995
Energy: 2.0581160964436727
Energy: 1.9466030215804784
Energy: 2.0259033831931044
Energy: 2.0932162882359133
Energy: 1.9826081358040708
Energy: 1.980382925866233
Energy: 1.9995958070219186
Energy: 1.982032406111712
Energy: 1.973646463453219
Energy: 2.0932228100628634
Energy: 1.928820718837035
Energy: 1.9288146781033557
Energy: 1.974706064361771
Energy: 1.9310905514364407
Energy: 1.9648877045184538
Energy: 2.062424630624685
Energy: 1.9941811743511606
Energy: 1.928189083191215
Energy: 1.9508733268172027
Energy: 1.9982078127039984
Energy: 1.9284603416113095
Energy: 2.0418237868688682
Energy: 1.9762624980607681
Energy: 1.974748823141926
Energy: 2.0014353531293994
Energy: 1.9796041752867346
Energy: 1.977280585058572
Energy: 2.03724823279825
Energy: 1.947991981462672
Energy: 1.9512446310992357
Energy: 2.02723903020821
Energy: 1.96745133405597
Energy: 2.0235482599605192
Energy: 2.0755463650864336
Energy: 2.035675808991723
Energy: 2.0325375524276175
Energy: 2.030800113565052
Energy: 1.9948309408387006
Energy: 2.0265018852831425
Energy: 2.072453606491942
Energy: 2.033911222520923
Energy: 2.0288744273820143
Energy: 2.0297650241936145
Energy: 2.0384452450959367
Energy: 1.98078420959924
Energy: 2.0970516481859818
Energy: 1.9712715052801368
Energy: 1.9701336170206472
Energy: 1.9304198949915956
Energy: 1.9690214235391423
Energy: 1.9711911713891763

minimum gb energy = 1.9257611674505355 eV
minimum distance =  2.25746008602743 Angstroms
sigma value = 27


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

Energy: 2.3798264489499896
Energy: 1.9686553272539395
Energy: 1.9471588268942506
Energy: 1.953952433375294
Energy: 1.9044803520939675
Energy: 2.007816424751167
Energy: 2.2692722369861364
Energy: 1.9454340348524728
Energy: 1.942710124055298
Energy: 1.9465643386909144
Energy: 1.9456814945026157
Energy: 1.9405953239443787
Energy: 2.2677610416230456
Energy: 1.986688523869686
Energy: 1.9507607265721425
Energy: 1.951674059480952
Energy: 1.9987392382275133
Energy: 1.9837093835629687
Energy: 2.228466770279198
Energy: 1.9558822158591387
Energy: 2.034049577309065
Energy: 2.040557354378837
Energy: 1.947442409919842
Energy: 1.9519207167943882
Energy: 1.9958654852410918
Energy: 1.9390040652857483
Energy: 2.0326920740761847
Energy: 1.9979086926268228
Energy: 1.9324412457927822
Energy: 1.9543716372591093
Energy: 2.200280748786636
Energy: 1.9230896215852664
Energy: 2.0451492506090028
Energy: 2.064783790978599
Energy: 1.928203033197434
Energy: 1.9221191120962324
Energy: 2.211513313203428
Energy: 1.9149407185840748
Energy: 1.9140573983140143
Energy: 1.9332518994492631
Energy: 1.9169419708778999
Energy: 1.915463867332982
Energy: 2.1880589463610516
Energy: 1.9174084708877308
Energy: 2.0649307294012598
Energy: 2.0275275628776455
Energy: 1.9217138682395514
Energy: 2.0630929128467295
Energy: 2.2278498451957254
Energy: 2.046558187489728
Energy: 2.0458361883278418
Energy: 2.0474078917223353
Energy: 2.051403136235529
Energy: 2.0433920598219415
Energy: 2.2283133108246083
Energy: 2.048826386103112
Energy: 2.0481016449783382
Energy: 2.0481758076091108
Energy: 2.063753559381939
Energy: 2.0474110549736477
Energy: 2.1890914537369737
Energy: 2.0354319177247286
Energy: 2.03207672685215
Energy: 2.0285800385187565
Energy: 1.9963266684407706
Energy: 2.0270340652658017
Energy: 2.195649528680531
Energy: 2.061782874378259
Energy: 2.059746432977113
Energy: 2.0727211792028233
Energy: 2.065959494707477
Energy: 2.060850475530802
Energy: 1.9399511590893057
Energy: 2.061096290132275
Energy: 1.914615471708706
Energy: 1.9245222534937603
Energy: 2.0622561684221967
Energy: 1.9137200877281673
Energy: 1.928790171210803
Energy: 2.033249362948121
Energy: 2.0473456695815746
Energy: 1.9317129964270165
Energy: 2.0313279740932906
Energy: 1.9131135818338636
Energy: 2.2055079145546923
Energy: 2.066642604317279
Energy: 2.064583542028714
Energy: 2.066096962951614
Energy: 2.068077583166802
Energy: 2.0656785043399446
Energy: 2.166115909718942
Energy: 2.060821654435077
Energy: 2.0611772321893485
Energy: 2.051192179465021
Energy: 2.062301036361486
Energy: 2.061692178298527
Energy: 1.9997875573963757
Energy: 2.0303600073937966
Energy: 2.0331001685025702
Energy: 2.0008575450902057
Energy: 2.0318932388879856
Energy: 2.0386008146080736
Energy: 2.1429422062395562
Energy: 2.047327126865892
Energy: 2.046849987579948
Energy: 2.0545914781486054
Energy: 1.9266190022978336
Energy: 2.044557593676198
Energy: 2.1679862724425236
Energy: 1.9197466169014592
Energy: 1.9177722865817048
Energy: 2.0310034102426155
Energy: 1.9216790356405484
Energy: 1.917067071254201
Energy: 2.2675177179343127
Energy: 1.9199624210850275
Energy: 1.9173195386589879
Energy: 1.9356386955370455
Energy: 1.9225331241387589
Energy: 1.9166385905917844
Energy: 2.258121178835425
Energy: 2.0499994188714714
Energy: 2.045168715282796
Energy: 2.054040579164961
Energy: 2.052428988729057
Energy: 2.0452678975695133
Energy: 2.0024277464738263
Energy: 1.9977302208886223
Energy: 2.0449047457473255
Energy: 2.0025322891084696
Energy: 1.985015171068992
Energy: 1.954665594635629
Energy: 2.268682122490948
Energy: 1.9546957133093805
Energy: 1.9400276356514345
Energy: 1.9422628474165828
Energy: 1.950172335777912
Energy: 1.9520484762552188
Energy: 2.2671789587065656
Energy: 1.964111348035311
Energy: 1.9601875507203808
Energy: 1.9440132520292308
Energy: 1.9630834778392732
Energy: 1.9282481042738735
Energy: 2.1217451879679365
Energy: 1.9576202734718047
Energy: 1.9529384413625668
Energy: 1.93173357798262
Energy: 1.9424934890025067
Energy: 1.9754389528025045

minimum gb energy = 1.9044803520939675 eV
minimum distance =  2.22326699729795 Angstroms
sigma value = 19


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

Energy: 2.045866741400102
Energy: 1.8431424124908506
Energy: 1.925013483469557
Energy: 1.8840564218178315
Energy: 1.8425654345276345
Energy: 1.883777380153489
Energy: 2.0955919347619747
Energy: 1.9101796535485773
Energy: 1.9082075171633008
Energy: 1.9051276314380272
Energy: 1.8558717114720984
Energy: 1.908895634036076
Energy: 2.0253727832317443
Energy: 1.9005450551573828
Energy: 1.8924178769370514
Energy: 1.8643500718588708
Energy: 1.890331794745506
Energy: 1.891091529107668
Energy: 1.9810742772168597
Energy: 1.9075057265464064
Energy: 1.9033540637294384
Energy: 1.9036386713093907
Energy: 1.9078303502555225
Energy: 1.9024876368937056
Energy: 1.9758479889032938
Energy: 1.8625264287849923
Energy: 1.8798131177219823
Energy: 1.9072210981633626
Energy: 1.8703873481118878
Energy: 1.8825885489628633
Energy: 1.9810324989693164
Energy: 1.9086255456849475
Energy: 1.9056052258075058
Energy: 1.807952878483372
Energy: 1.9121521187893187
Energy: 1.905311113955564
Energy: 1.9772142101746164
Energy: 1.8850855799628377
Energy: 1.8914959915066956
Energy: 1.843743270279157
Energy: 1.8880636646991567
Energy: 1.8776931614494234
Energy: 1.9710440178987112
Energy: 1.8859486540127557
Energy: 1.9089611268621047
Energy: 1.8390957883942158
Energy: 1.886767555149701
Energy: 1.9093185721578736
Energy: 1.9575370760499837
Energy: 1.8893364568768372
Energy: 1.893462153420587
Energy: 1.8120909955892337
Energy: 1.8922134955124539
Energy: 1.8874530136256369
Energy: 1.9528419562231092
Energy: 1.8916434082452953
Energy: 1.8880777757418656
Energy: 1.831772980411637
Energy: 1.8898316277934344
Energy: 1.8874167293445614
Energy: 1.9727202954520253
Energy: 1.86475365356579
Energy: 1.864132152395916
Energy: 1.8915640562142253
Energy: 1.87101580572416
Energy: 1.870555524858746
Energy: 1.9984394809949015
Energy: 1.8941496689252202
Energy: 1.8907756595947807
Energy: 1.8912738673546405
Energy: 1.8807596321820743
Energy: 1.8900944179112038
Energy: 1.996306380215539
Energy: 1.8437205867731057
Energy: 1.877727704671837
Energy: 1.8957074069412343
Energy: 1.8443236800607845
Energy: 1.8635053151476617
Energy: 2.064055367330985
Energy: 1.8890403334730803
Energy: 1.8909237086034532
Energy: 1.8690318817167042
Energy: 1.8050693480826039
Energy: 1.891278932403481
Energy: 1.9964296391426573
Energy: 1.855444327104956
Energy: 1.8538559054644483
Energy: 1.8734192710688964
Energy: 1.8690811961743934
Energy: 1.8530777631895352
Energy: 1.994064117628905
Energy: 1.8786386010707692
Energy: 1.87440344724411
Energy: 1.8717213184100723
Energy: 1.8717117665585603
Energy: 1.8736916682091873
Energy: 1.9731385686762248
Energy: 1.888202698045294
Energy: 1.90067999062731
Energy: 1.8685597294904766
Energy: 1.8786133162181837
Energy: 1.8874607524663298
Energy: 2.0213127439321306
Energy: 1.872852341096093
Energy: 1.8760881143667123
Energy: 1.8550992766549148
Energy: 1.8475746806620856
Energy: 1.8764277308252648
Energy: 1.9912863646917476
Energy: 1.8871524459406002
Energy: 1.8871422464579215
Energy: 1.8829876899877318
Energy: 1.8984987578732901
Energy: 1.8477389530157438
Energy: 1.9286423877085646
Energy: 1.8870374874764704
Energy: 1.8869118435597287
Energy: 1.8481753747319185
Energy: 1.8871054760035135
Energy: 1.8546568440285407
Energy: 1.9344352407651582
Energy: 1.8714162664100302
Energy: 1.8721286965199877
Energy: 1.871889338608912
Energy: 1.876693112248682
Energy: 1.872731641290026
Energy: 1.9342222965914664
Energy: 1.8951714822011094
Energy: 1.892043496236738
Energy: 1.902846740228095
Energy: 1.8904456934038374
Energy: 1.8925452231925615
Energy: 1.936144365944379
Energy: 1.8670929032690433
Energy: 1.8698302742464576
Energy: 1.805316947748527
Energy: 1.8675448682661637
Energy: 1.810761051896791
Energy: 2.0017161128014136
Energy: 1.86655021987567
Energy: 1.8704016694925938
Energy: 1.8048437485984803
Energy: 1.867427126330774
Energy: 1.8710059430467305
Energy: 2.004116201384931
Energy: 1.8910500453822858
Energy: 1.895878121329756
Energy: 1.8997691175994984
Energy: 1.888618417510658
Energy: 1.8956456444933765
Energy: 1.9800661800247956
Energy: 1.8846000849452915
Energy: 1.8885838116571327
Energy: 1.9120001362934078
Energy: 1.8846299994283497
Energy: 1.89201688780282
Energy: 2.0008579540498346
Energy: 1.8896059178933067
Energy: 1.8914163736577219
Energy: 1.887970610524837
Energy: 1.8903694265503843
Energy: 1.8917592262372176
Energy: 2.0254618711503256
Energy: 1.916492993162408
Energy: 1.9131578631010377
Energy: 1.9060105885163314
Energy: 1.9134437052176867
Energy: 1.911316972041597
Energy: 2.018925142813709
Energy: 1.8388430402257974
Energy: 1.8902954785403159
Energy: 1.8671455733595546
Energy: 1.8396155496367168
Energy: 1.8680547516571606

minimum gb energy = 1.8048437485984803 eV
minimum distance =  2.26089499202516 Angstroms
sigma value = 101


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

Energy: 3.011583656082081
Energy: 1.8001519072466197
Energy: 1.7969582764004262
Energy: 1.7634510913443247
Energy: 1.8028067774269014
Energy: 1.7636753795648716
Energy: 1.9720803184120017
Energy: 1.8009695286540743
Energy: 1.799006737382476
Energy: 1.8071019758848934
Energy: 1.7964575106552
Energy: 1.7982452884261564
Energy: 1.9719668047886614
Energy: 1.7974789168968897
Energy: 1.789999982641777
Energy: 1.7975303765214115
Energy: 1.7979834047433232
Energy: 1.7876379025786464
Energy: 1.9124746735226537
Energy: 1.7966171794474637
Energy: 1.7925917727641252
Energy: 1.797600577611542
Energy: 1.8033845018973924
Energy: 1.791959201558194
Energy: 1.8877056018783256
Energy: 1.794171822459331
Energy: 1.7960732356202522
Energy: 1.7941370268007566
Energy: 1.8021475041322712
Energy: 1.8023215201392373
Energy: 1.9064237422790624
Energy: 1.7979744814894698
Energy: 1.794589845790404
Energy: 1.7950226065118255
Energy: 1.8033921979923098
Energy: 1.7942456144972139
Energy: 1.8626998278443994
Energy: 1.7918444830702853
Energy: 1.7841444005455245
Energy: 1.8166116499707918
Energy: 1.7914166655385995
Energy: 1.7823343094116288
Energy: 1.8935012970649223
Energy: 1.8009607411287172
Energy: 1.7995177336746595
Energy: 1.7824421962763832
Energy: 1.7998246033450993
Energy: 1.8004091042602173
Energy: 1.873499659199249
Energy: 1.7969646508572368
Energy: 1.7918080100172398
Energy: 1.7972292523190876
Energy: 1.7871956546203525
Energy: 1.7908629658505593
Energy: 1.8787500123022218
Energy: 1.7970715304245102
Energy: 1.7936652589133437
Energy: 1.7971763736029653
Energy: 1.802513185557875
Energy: 1.793113144431488
Energy: 1.9127714145460766
Energy: 1.7649598899914778
Energy: 1.7651009784424854
Energy: 1.7878411847342512
Energy: 1.79429073993229
Energy: 1.7739265246351632
Energy: 1.9430523106791837
Energy: 1.7991159352387158
Energy: 1.795583251124835
Energy: 1.796801422176604
Energy: 1.7929555087485716
Energy: 1.7954578529618275
Energy: 1.902077538112372
Energy: 1.8018656397184805
Energy: 1.7935551755454116
Energy: 1.7957213585355785
Energy: 1.802403331012438
Energy: 1.788100771640373
Energy: 1.8995908518763533
Energy: 1.7990682168604721
Energy: 1.7991912936702315
Energy: 1.7898397323306545
Energy: 1.7923470486496982
Energy: 1.799821080653238
Energy: 1.942260531106723
Energy: 1.806791039185869
Energy: 1.7845616288767332
Energy: 1.7983747955236005
Energy: 1.8088714371495938
Energy: 1.7966122439851249
Energy: 1.9724716643122067
Energy: 1.7967098896871356
Energy: 1.7932786179964022
Energy: 1.7984995137343844
Energy: 1.7952029920457182
Energy: 1.7925709619791572
Energy: 1.9005130629376452
Energy: 1.808635891002786
Energy: 1.791088787277368
Energy: 1.7894741269418548
Energy: 1.8066022642089186
Energy: 1.7875190209168703
Energy: 2.0237857807776343
Energy: 1.7858277833437883
Energy: 1.7995719774267944
Energy: 1.796222737679436
Energy: 1.7870889217627548
Energy: 1.7939639347385397
Energy: 1.971364768552374
Energy: 1.8026245510924235
Energy: 1.7999875760535011
Energy: 1.7871582278697542
Energy: 1.7996385871662155
Energy: 1.8001262335129655
Energy: 1.9086159906933156
Energy: 1.8015764815107402
Energy: 1.7981136952258616
Energy: 1.7991997657450707
Energy: 1.8062207124992353
Energy: 1.7976643438321176
Energy: 1.8876608705179916
Energy: 1.785957968179788
Energy: 1.7864514345041334
Energy: 1.7961671599175921
Energy: 1.7872180655128809
Energy: 1.7905855316015589
Energy: 1.9048104973708662
Energy: 1.7981140498005195
Energy: 1.794765784805627
Energy: 1.7965495694112994
Energy: 1.8043546344498034
Energy: 1.7942135075298917
Energy: 1.9326647407901916
Energy: 1.7882334249235485
Energy: 1.7870413700538885
Energy: 1.7825324465622314
Energy: 1.7891679014903867
Energy: 1.7865681653603394
Energy: 1.913946997500089
Energy: 1.7905554611047574
Energy: 1.79199795526338
Energy: 1.7876940009885498
Energy: 1.7914303881844487
Energy: 1.8014135572238084
Energy: 1.8725152939009773
Energy: 1.8009631576909557
Energy: 1.7976775049607054
Energy: 1.806279741520586
Energy: 1.8068020102680802
Energy: 1.7973609025619832
Energy: 1.8733660370495089
Energy: 1.800500991303599
Energy: 1.7969481494098882
Energy: 1.79695085189711
Energy: 1.806519238751239
Energy: 1.7968187367934505
Energy: 1.911472870874241
Energy: 1.7937906307024585
Energy: 1.791434420003229
Energy: 1.786093222369563
Energy: 1.794733632726683
Energy: 1.7925918263679272
Energy: 1.9425406468141777
Energy: 1.797264248253423
Energy: 1.7949758883747184
Energy: 1.7985697550734296
Energy: 1.7990067851614364
Energy: 1.8002994780553165
Energy: 1.9036501519475464
Energy: 1.7980311994880358
Energy: 1.7979831901035985
Energy: 1.7913115979861354
Energy: 1.7988277525628529
Energy: 1.7980365997034928
Energy: 1.9064845572718103
Energy: 1.7911851305188602
Energy: 1.7898395967598544
Energy: 1.7899889654749537
Energy: 1.7956930604618095
Energy: 1.7903977865158975
Energy: 1.9408873135206457
Energy: 1.8011857146623114
Energy: 1.797977261555856
Energy: 1.7960216546533685
Energy: 1.8014229299933682
Energy: 1.797853330847968
Energy: 1.971698497917913
Energy: 1.8003892690418881
Energy: 1.7967815028267937
Energy: 1.8078988977120924
Energy: 1.8040201024598586
Energy: 1.7952436114085062
Energy: 1.9014334947936689
Energy: 1.796757017768509
Energy: 1.7824678648278585
Energy: 1.7910493115017208
Energy: 1.7970536684630296
Energy: 1.7925910002042458

minimum gb energy = 1.7634510913443247 eV
minimum distance =  2.26517676535227 Angstroms
sigma value = 33


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

Energy: 0.019221612399383813
Energy: 2.4382064908242267
Energy: 0.02030031237418207
Energy: 0.021892787074447178
Energy: 2.4412539595258895
Energy: 0.020099467022285333
Energy: 0.7696901672662448
Energy: 0.2004094520294203
Energy: 0.19774179165183992
Energy: 0.19988256060200862
Energy: 0.1981241548523482
Energy: 0.1979087626821187
Energy: 3.05477261029344
Energy: 2.4416582507947164
Energy: 2.4389840132719622
Energy: 2.4524387563796646
Energy: 2.4439460201915337
Energy: 2.4397998362825675
Energy: 0.7696901672676423
Energy: 0.2004094520294203
Energy: 0.19774179165142586
Energy: 0.1998825606052177
Energy: 0.19812415485322807
Energy: 0.19790876268299862

minimum gb energy = 0.019221612399383813 eV
minimum distance =  2.45823790326549 Angstroms
sigma value = 1