Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.097743973135948
cohesive_energy=2.823046017138722
mass=107.8682
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=[1.0763118213651538e-19, 1.559786244617628e-19, 1.96309896434118e-19, 2.30303278077696e-19, 2.59461290639862e-19, 2.8483656416915397e-19, 3.07182121683552e-19, 3.2742882780740996e-19, 3.454100561707919e-19, 3.6138856374167396e-19, 3.75567826952574e-19, 3.8811767652669594e-19, 3.9917109312466193e-19, 4.0884503564075397e-19, 4.17250054262718e-19, 4.2507348276653994e-19, 4.3178820503963397e-19, 4.374567059707259e-19, 4.421382660952739e-19, 4.45879348535664e-19, 4.4872321206101395e-19, 4.50713115440442e-19, 4.51882704383262e-19, 4.52265624598788e-19, 4.51850660850582e-19, 4.505000259481199e-19, 4.48159245885846e-19, 4.445383266930059e-19, 4.39347274398846e-19, 4.3226885802983396e-19, 4.2292496390034597e-19, 4.1084775643325395e-19, 3.9545884986368396e-19, 3.76043673412872e-19, 3.52248146044704e-19, 3.2341857969250794e-19, 2.87369605427508e-19, 2.4232440936259797e-19, 1.85971050614916e-19, 1.1533925392268938e-19, 2.6549348566687197e-20, -8.598593602883879e-20, -2.2971047272311597e-19, -4.1331350627297994e-19, -6.524864341964999e-19, -9.68228985635514e-19, -1.3923363558917519e-18, -1.9741219395831e-18, -2.7939076579018797e-18, -3.985494485906699e-18, -5.79209283663876e-18, -8.69168006531928e-18, -1.371466403057268e-17, -2.3433755884210798e-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: 0.008473171234768543
Energy: 0.008617091283369707
Energy: 0.00876779430301479
Energy: 0.008672067346900809
Energy: 0.5743045871425945
Energy: 0.008700726071138231
Energy: 0.008617091283139195
Energy: 0.12026574053701979
Energy: 0.12003901935256422
Energy: 0.11974728809873408
Energy: 0.11965062127780887
Energy: 0.11968340917578901
Energy: 0.00876779430348937
Energy: 0.12003901935256422
Energy: 0.11950736341121998
Energy: 0.00876670901570786
Energy: 0.12036936300444735
Energy: 0.11913904871513675
Energy: 0.008672067347144877
Energy: 0.1197472880989646
Energy: 0.008766709015477348
Energy: 0.00867698217182943
Energy: 0.11926719939864709
Energy: 0.008632583267182916
Energy: 0.5743045871437876
Energy: 0.11965062127733431
Energy: 0.12036936300444735
Energy: 0.11926719939769792
Energy: 0.11875665629556828
Energy: 0.12032478741853023
Energy: 0.008700726071368743
Energy: 0.1196834091741212
Energy: 0.11913904871443166
Energy: 0.008632583266464267
Energy: 0.12032478741828616
Energy: 0.008619281436884351

minimum gb energy = 0.008473171234768543 eV
minimum distance =  2.89598709368303 Angstroms
sigma value = 1


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

Energy: 1.5942117701283414
Energy: 0.9197855484652678
Energy: 0.9419612003909482
Energy: 0.8888184096983716
Energy: 0.9260732298430474
Energy: 0.9407398025389284
Energy: 1.4474433257059498
Energy: 0.8825690844818989
Energy: 0.8777776826367791
Energy: 0.8758947838463558
Energy: 0.8848841221436189
Energy: 0.8767710494619232
Energy: 1.3293762203795123
Energy: 0.886931818722644
Energy: 0.8822554291554335
Energy: 0.9108899204976325
Energy: 0.8876267447767893
Energy: 0.8871092034333549
Energy: 1.539080505656866
Energy: 0.8827269624296225
Energy: 0.8803305402955838
Energy: 0.9011483269948379
Energy: 0.9042034411228849
Energy: 0.8912131920936308
Energy: 1.411135704395024
Energy: 0.890748588130548
Energy: 0.8878145206505259
Energy: 0.8754411619306711
Energy: 0.8821357089702335
Energy: 0.8863875061320525
Energy: 1.3931071695154476
Energy: 0.8871786076701216
Energy: 0.9026463401830118
Energy: 0.9018003362838483
Energy: 0.8766938208112283
Energy: 0.9021475881993952
Energy: 1.3887370548184084
Energy: 0.9049017550421656
Energy: 0.9026380382691898
Energy: 0.8943016269791745
Energy: 0.883414864533641
Energy: 0.9015874923845718
Energy: 1.3023611417745529
Energy: 0.895626405673718
Energy: 0.9087154635857043
Energy: 0.8322578598720108
Energy: 0.8934147917620862
Energy: 0.9028880624320591
Energy: 1.128763852143995
Energy: 0.90023257609163
Energy: 0.8953521502912379
Energy: 0.8767660598100898
Energy: 0.9017720805100109
Energy: 0.9004314578748847
Energy: 1.1261018766062538
Energy: 0.8784193536633306
Energy: 0.8852808166783768
Energy: 0.8831445546078062
Energy: 0.8755921909004225
Energy: 0.8859721290744376
Energy: 1.0569346015530523
Energy: 0.8883325259301219
Energy: 0.876190656824995
Energy: 0.9004841107615111
Energy: 0.8877421661767584
Energy: 0.8944988644223002
Energy: 0.9562166566759097
Energy: 0.8858020796819878
Energy: 0.8865398477751875
Energy: 0.8824101956403687
Energy: 0.893969062679911
Energy: 0.8821670862035202
Energy: 0.9571328170662862
Energy: 0.8760244865175039
Energy: 0.8762128076334201
Energy: 0.8850106748022425
Energy: 0.8763557729198873
Energy: 0.8778416200371758
Energy: 1.0264449125682227
Energy: 0.8886475845685534
Energy: 0.8777617131371179
Energy: 0.9007893408226844
Energy: 0.8864671173458286
Energy: 0.8960690618203097
Energy: 1.0060587992013597
Energy: 0.8753835587529465
Energy: 0.8772194615462887
Energy: 0.8847733849983092
Energy: 0.8756074358530775
Energy: 0.8777225849061646
Energy: 1.0060337867650824
Energy: 0.9038247968225295
Energy: 0.8969222721047672
Energy: 0.8882499683237459
Energy: 0.9125031917969862
Energy: 0.895135149172393
Energy: 1.3031923394245735
Energy: 0.8937246954948731
Energy: 0.900048558706306
Energy: 0.8870454938894962
Energy: 0.8925006403634076
Energy: 0.8929594042057334
Energy: 1.2649253630508839
Energy: 0.9042859319125913
Energy: 0.9056326345247757
Energy: 0.9048656381445204
Energy: 0.8955172145243014
Energy: 0.9120517085983261
Energy: 1.2652976908211069
Energy: 0.9058183955380268
Energy: 0.9123294971273682
Energy: 0.8954295451106782
Energy: 0.9045475674371429
Energy: 0.9138712614626082
Energy: 1.3304397747471708
Energy: 0.9048007833380387
Energy: 0.9120253195322975
Energy: 0.8966562829892685
Energy: 0.8968037178262281
Energy: 0.9138696595977991
Energy: 1.4463318600406943
Energy: 0.8857025661748299
Energy: 0.8791898498830516
Energy: 0.8884093966279152
Energy: 0.8873955183102923
Energy: 0.8890124632735453
Energy: 1.2792574212082541
Energy: 0.882274787580813
Energy: 0.8954591066008093
Energy: 0.9085898256934728
Energy: 0.88708631295527
Energy: 0.9049223261535978
Energy: 1.4474274885766754
Energy: 0.8824387954079567
Energy: 0.8773683847270374
Energy: 0.8596573925161796
Energy: 0.8848070399813288
Energy: 0.8766850883513397

minimum gb energy = 0.8322578598720108 eV
minimum distance =  2.70841614398271 Angstroms
sigma value = 33


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

Energy: 1.829786497122031
Energy: 1.0255325908092694
Energy: 0.9872954637989082
Energy: 0.9877865625591936
Energy: 0.9568463611193686
Energy: 1.034988636167914
Energy: 1.2571623841454975
Energy: 0.9493196535235041
Energy: 0.932543627376342
Energy: 0.9430501136334505
Energy: 0.9582180529780507
Energy: 0.9448890138712213
Energy: 1.368197524095161
Energy: 0.9441173282466867
Energy: 0.9508930673698123
Energy: 0.9814055328294714
Energy: 0.9398241110185914
Energy: 0.9616585643914395
Energy: 1.4785156895664662
Energy: 0.9624628821531958
Energy: 0.9581557002970554
Energy: 1.0029872834559415
Energy: 0.9593514511699042
Energy: 0.9858998912477249
Energy: 1.3804810722131837
Energy: 0.9349458427771352
Energy: 0.9447640502815847
Energy: 0.9357085137430684
Energy: 0.9525500398477119
Energy: 0.9486826324796289
Energy: 1.4871305736116742
Energy: 0.9537002159493145
Energy: 0.9566583643052597
Energy: 0.9500382222743469
Energy: 0.9537517346247356
Energy: 0.9546650666154896
Energy: 1.486604451091981
Energy: 0.9411823422280748
Energy: 1.052378300605116
Energy: 0.948709748973145
Energy: 1.044717660569004
Energy: 1.0571468930833232
Energy: 1.3763670754874964
Energy: 1.0014327044356999
Energy: 1.000718465275066
Energy: 0.9445033742582556
Energy: 1.0010127522614205
Energy: 1.0031035408910938
Energy: 1.2020817791828984
Energy: 0.9807682485870272
Energy: 1.0479733476588629
Energy: 1.0626847543878517
Energy: 0.956747624220588
Energy: 1.047799899270125
Energy: 1.204406291762949
Energy: 1.0485082931602878
Energy: 1.04682287540631
Energy: 1.0488298190987428
Energy: 1.048751452272672
Energy: 1.0460328561477776
Energy: 1.2090870995223946
Energy: 0.9378762932915338
Energy: 0.9379881210327529
Energy: 0.9683446251714007
Energy: 0.9381232442108227
Energy: 0.9380098957690218
Energy: 1.0673186325116142
Energy: 0.9524649370633503
Energy: 1.0477504136213722
Energy: 1.0617403132628995
Energy: 0.9531967421344395
Energy: 1.0389093002368381
Energy: 1.0673620826203136
Energy: 1.0418800005666813
Energy: 1.0416536333225426
Energy: 1.06126183234892
Energy: 1.0428032916832346
Energy: 1.0412428264553553
Energy: 1.1748136386784356
Energy: 0.9853864693375668
Energy: 0.9855965584741446
Energy: 1.0381709530909233
Energy: 0.9987966479777021
Energy: 0.9823348867851274
Energy: 1.173586130833431
Energy: 1.0429577352057313
Energy: 1.0489113594695514
Energy: 1.0353743046722257
Energy: 1.0365341236287566
Energy: 1.0497893683285944
Energy: 1.171244418772031
Energy: 1.0364227146136673
Energy: 1.0536808693089679
Energy: 1.0533400986779935
Energy: 1.0300702378530562
Energy: 1.0554305759616942
Energy: 1.3777636022343707
Energy: 1.0553158729864682
Energy: 1.0540973728209835
Energy: 1.0535778191530676
Energy: 1.055035383944585
Energy: 1.0412638132162841
Energy: 1.306805980321576
Energy: 1.02824546682858
Energy: 1.028838497130911
Energy: 0.9814257704248913
Energy: 1.0172688805114565
Energy: 1.0029696747203414
Energy: 1.3054479960350496
Energy: 1.0620440965087836
Energy: 1.0462629203519493
Energy: 0.9578811898940168
Energy: 1.0616031980210896
Energy: 1.0515846682036658
Energy: 1.4243314291187372
Energy: 1.0484509557014994
Energy: 1.0443886405135552
Energy: 1.033651328230931
Energy: 1.0479061267378784
Energy: 1.0437819850305776
Energy: 1.5903466220219336
Energy: 1.0403584047633883
Energy: 0.9379851636170359
Energy: 0.9232311186794246
Energy: 1.0689997806355678
Energy: 0.9378567727620174
Energy: 1.248530157964608
Energy: 1.0494700058855748
Energy: 1.034324098627112
Energy: 0.9532942875304788
Energy: 1.050090206477873
Energy: 1.0377227860220328
Energy: 1.0451132582936495
Energy: 1.040985552256869
Energy: 1.0456649695527365
Energy: 1.0403332629994366
Energy: 1.0565571177642736
Energy: 1.0465947101755946
Energy: 1.4801362232228616
Energy: 1.0975123383041832
Energy: 1.0693096103911413
Energy: 0.9883523851974181
Energy: 1.061682694305732
Energy: 1.0059089415204028
Energy: 1.0458352608390087
Energy: 1.0210031527107977
Energy: 1.050682818784269
Energy: 1.0381137777208802
Energy: 1.0332999327195933
Energy: 1.0497596912956553
Energy: 1.4908591248259535
Energy: 1.0610438127711992
Energy: 1.0537893448033968
Energy: 1.034609593560252
Energy: 1.0600767507955364
Energy: 1.0485363361679405
Energy: 1.4882663634949178
Energy: 1.0360423701076038
Energy: 1.043598868417156
Energy: 1.049764415022863
Energy: 1.0351589682197404
Energy: 1.0426878949716523
Energy: 1.3777598248168308
Energy: 1.000392329367042
Energy: 1.0020259500005748
Energy: 1.0171762436412723
Energy: 0.98142625044291
Energy: 1.0382701008384994
Energy: 1.2059742158944364
Energy: 1.0011604268248817
Energy: 1.000644034672835
Energy: 1.0494204089199417
Energy: 0.9802452864805886
Energy: 1.0469289596298887
Energy: 1.20611186067885
Energy: 1.048082955312091
Energy: 1.0470002226102688
Energy: 1.0454345698336367
Energy: 1.0454980560322635
Energy: 1.0399443114890392
Energy: 1.2776615808310121
Energy: 0.918868885779095
Energy: 0.9235269138134203
Energy: 1.0632894144151268
Energy: 0.9186744920055443
Energy: 0.9382903576267801
Energy: 1.0652190674072561
Energy: 0.9527001182595713
Energy: 0.9501266298199676
Energy: 1.048607221874862
Energy: 0.9532396929446383
Energy: 1.0368766161855567
Energy: 1.0657753495248412
Energy: 1.0467690833699108
Energy: 1.046784226472412
Energy: 1.064675485080547
Energy: 1.0450230046934292
Energy: 1.0418965577853303
Energy: 1.0651643468041778
Energy: 0.9855113118250817
Energy: 0.9856471355101877
Energy: 1.0646557715744769
Energy: 0.9975059203252234
Energy: 0.979782074231419
Energy: 1.1705936512636588
Energy: 1.0502191939927834
Energy: 0.962588872887773
Energy: 0.9598136839943439
Energy: 1.0454232799869592
Energy: 1.0468171659820944
Energy: 1.1690810413341606
Energy: 0.9502470750526129
Energy: 0.9676390501969221
Energy: 1.0648172767628963
Energy: 0.96029935751699
Energy: 0.9491034943873481
Energy: 1.1703750152842858
Energy: 0.9433467011996923
Energy: 0.9500632137011508
Energy: 0.9495685932651607
Energy: 0.9492143828871739
Energy: 0.9428391262501233
Energy: 1.3052539056664014
Energy: 0.9617143766219863
Energy: 0.9621531038051122
Energy: 0.9579577977711247
Energy: 0.9399192707259639
Energy: 0.953351371696545
Energy: 1.305916938663025
Energy: 0.9403907920088009
Energy: 0.9568456737153803
Energy: 0.9797637257691366
Energy: 0.9405729431903788
Energy: 1.0031454145253758
Energy: 1.3798461785234246
Energy: 0.9572244684017325
Energy: 0.9448746202348619
Energy: 0.9300633398678346
Energy: 0.9641936389088622
Energy: 0.9491501912473166
Energy: 0.9707431263975577
Energy: 0.9488206767694464
Energy: 0.9379257434092253
Energy: 0.9514296217151494
Energy: 0.9504977817974951
Energy: 0.9637280304763386

minimum gb energy = 0.9186744920055443 eV
minimum distance =  2.60581692457101 Angstroms
sigma value = 51


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

Energy: 1.6416088048359783
Energy: 0.986020287449766
Energy: 0.9857944617518252
Energy: 0.9419624857366721
Energy: 0.9859343620452202
Energy: 0.943017184850299
Energy: 1.338605149263281
Energy: 0.9775252858155206
Energy: 0.9759386930038242
Energy: 0.9237280902125434
Energy: 0.9855628491795136
Energy: 0.9251234726709854
Energy: 1.4515327784102858
Energy: 0.9773415540103353
Energy: 0.9761587202450287
Energy: 0.9282713286802519
Energy: 0.9792751607957502
Energy: 0.9568299486055946
Energy: 1.4518721084760216
Energy: 0.9808004036836356
Energy: 0.9768201717849609
Energy: 0.9454507109706772
Energy: 0.9806696547436864
Energy: 0.9776711302610706
Energy: 1.24585302202641
Energy: 0.9232714055800084
Energy: 0.9230858451847375
Energy: 0.9240686103222487
Energy: 0.9241990353800308
Energy: 0.924906662498657
Energy: 1.2459364165741371
Energy: 0.9220812144767135
Energy: 0.9224727358137131
Energy: 0.9223172789627476
Energy: 0.9244326636777027
Energy: 0.9223994051141282
Energy: 1.2458630632805288
Energy: 0.9245290551066714
Energy: 0.9241961013477885
Energy: 0.9241540135992392
Energy: 0.9241842521473257
Energy: 0.9331032124272483
Energy: 1.1860071075001004
Energy: 0.9674598627665092
Energy: 0.9679803067712919
Energy: 0.9809486454606049
Energy: 0.9552696920927136
Energy: 0.9675569114605165
Energy: 1.006145473402024
Energy: 0.9629245956965995
Energy: 0.9817708460682398
Energy: 0.9796386190580127
Energy: 0.9559853142649863
Energy: 0.9687828132530579
Energy: 1.0058957649855234
Energy: 0.9249239896503534
Energy: 0.9222822202238062
Energy: 0.987856887322184
Energy: 0.9227449027873036
Energy: 0.9610411579735052
Energy: 1.0054940660068266
Energy: 0.9335236191551672
Energy: 0.953843338654471
Energy: 1.0047669095085356
Energy: 0.9191253301351879
Energy: 0.9540045341515692
Energy: 1.069364531201549
Energy: 0.9258105034551245
Energy: 0.9248102429730649
Energy: 0.9760204813647985
Energy: 0.9219596282125794
Energy: 0.9613094698467826
Energy: 1.0688475341064068
Energy: 0.956389811881877
Energy: 0.9626791659092963
Energy: 0.9761593247460645
Energy: 0.9969938553765875
Energy: 0.9683090510455001
Energy: 1.069538481364803
Energy: 0.9484304034992876
Energy: 0.948456579568747
Energy: 0.952620924276776
Energy: 0.9243473940702666
Energy: 0.9483140008778874
Energy: 1.3372050777024722
Energy: 0.9685876985235762
Energy: 0.9589943897689274
Energy: 0.9264665217855212
Energy: 0.9691217761594082
Energy: 0.9588348373547375
Energy: 1.3368201059839324
Energy: 0.9766149522317786
Energy: 0.9681521408552604
Energy: 0.890890268942474
Energy: 0.9889701643420105
Energy: 0.9556068569496925
Energy: 1.2461370462206742
Energy: 0.976447821217824
Energy: 0.9759298049392953
Energy: 0.9291172843593974
Energy: 0.9889377775365008
Energy: 0.9588923564702694
Energy: 1.5658959552527878
Energy: 0.9788268178354477
Energy: 0.8908855675617602
Energy: 0.9331831794558673
Energy: 0.9896094131037856
Energy: 0.8906765565428674

minimum gb energy = 0.8906765565428674 eV
minimum distance =  2.69109661858289 Angstroms
sigma value = 19


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

Energy: 1.4000523839776038
Energy: 0.9824703108386222
Energy: 1.0055457322478172
Energy: 1.0647365850277406
Energy: 0.9416977869056113
Energy: 0.9819017366963088
Energy: 1.2563276753597608
Energy: 0.9568181655479514
Energy: 0.9569533977957106
Energy: 0.9905957575499864
Energy: 0.9570956696569944
Energy: 0.9570575623521903
Energy: 1.4598698325900297
Energy: 0.9568932418875281
Energy: 0.9571745206108809
Energy: 0.990318777985957
Energy: 0.9568201529899741
Energy: 0.9580524480836566
Energy: 1.1638849052987499
Energy: 0.9568988710919341
Energy: 0.9568268086246426
Energy: 0.9854457145623701
Energy: 0.9567486383627632
Energy: 0.9572198775399351
Energy: 1.1716267136851684
Energy: 0.9567272620265379
Energy: 0.9898652390275752
Energy: 0.9904073418400023
Energy: 0.9565521386175266
Energy: 0.9896910254370249
Energy: 1.170990533224274
Energy: 0.9307144514730021
Energy: 0.9893952209818195
Energy: 0.9919874449451894
Energy: 0.9305606037296354
Energy: 0.9899487661541537
Energy: 1.1714876607603804
Energy: 0.9904719010835457
Energy: 0.989879633731407
Energy: 0.9915502376834925
Energy: 0.9403880409926819
Energy: 0.9898107565837388
Energy: 1.0748879933683562
Energy: 0.9514765347693666
Energy: 0.9436432310786849
Energy: 0.9567374326309589
Energy: 0.9509591902999506
Energy: 0.9317846075901061
Energy: 0.95682326581772
Energy: 0.9461730380249844
Energy: 0.9307735455014596
Energy: 0.9568042632730044
Energy: 0.9436111121058023
Energy: 0.9308777929620158
Energy: 0.9568018382675492
Energy: 0.9907747418956203
Energy: 0.9568626012704075
Energy: 0.9568707823312058
Energy: 0.9993093602743389
Energy: 0.9569154281020061
Energy: 0.9563736923025723
Energy: 0.9862108573413126
Energy: 0.9862089164399263
Energy: 0.9566663652260641
Energy: 0.9855252445574421
Energy: 0.9570169222497721
Energy: 1.0755088477067822
Energy: 0.9987924470267512
Energy: 0.989558412588766
Energy: 0.957270878637279
Energy: 0.9899555668837008
Energy: 0.9569410467365744
Energy: 0.9306470557128108
Energy: 0.9905602646669783
Energy: 0.990497739568093
Energy: 0.9304450354298492
Energy: 0.9906036737934362
Energy: 0.9906979646417919
Energy: 1.0744410415030508
Energy: 0.9905005924648613
Energy: 0.9903976974286398
Energy: 0.9575611510600706
Energy: 0.9926549610240029
Energy: 0.9904157874702662
Energy: 1.3948844868088695
Energy: 0.956897043356577
Energy: 0.9573236513407496
Energy: 0.9428675118366536
Energy: 0.9568645467643334
Energy: 0.9309301214271414
Energy: 1.3926810886384475
Energy: 0.9573375985922726
Energy: 0.9315351200611559
Energy: 0.9498077279592347
Energy: 0.9568523245563181
Energy: 0.9430091932299082
Energy: 1.1719734833746158
Energy: 0.9570845059568124
Energy: 0.9569104440125293
Energy: 0.990674348751449
Energy: 0.9565570574665954
Energy: 0.9569588876147129
Energy: 1.1647722390586766
Energy: 0.9572875737253244
Energy: 0.958515924536694
Energy: 0.9854046065427114
Energy: 0.9570724545034235
Energy: 0.9574831430586548
Energy: 1.1640022465134918
Energy: 0.9569101949390177
Energy: 0.9583265757402376
Energy: 0.9853947351740291
Energy: 0.9568885457310157
Energy: 0.9572161719597895
Energy: 1.1717262505036836
Energy: 0.9306201272850718
Energy: 0.9899514247197562
Energy: 0.9911145407091414
Energy: 0.9305000837024757
Energy: 0.9894485368566538
Energy: 1.1696979697591952
Energy: 0.9577583633830126
Energy: 0.9904116833628366
Energy: 0.9911606347050405
Energy: 0.9566562868150124
Energy: 0.9900980665479127
Energy: 1.171156448597733
Energy: 0.990009557928827
Energy: 0.9897218900683697
Energy: 0.9564611556974935
Energy: 0.9406044571115458
Energy: 0.9897027657252409
Energy: 1.0745485376208208
Energy: 0.9307543376822485
Energy: 0.9505260496147876
Energy: 0.9574423237257556
Energy: 0.9310318787832073
Energy: 0.9430768654710665
Energy: 0.9570611581744388
Energy: 0.957105285702374
Energy: 0.9569697106401864
Energy: 0.9569050746431961
Energy: 0.9851117561873632
Energy: 0.9570651026610661
Energy: 0.9570490653142503
Energy: 0.9899990190508078
Energy: 0.9572648131217579
Energy: 0.9571098195258994
Energy: 0.9901313961147142
Energy: 0.9572996025166733
Energy: 1.0759090169959482
Energy: 0.9857416649024905
Energy: 0.9862921630704944
Energy: 0.9570590723301312
Energy: 0.985528631843968
Energy: 0.9566070657954951
Energy: 1.1713521781440588
Energy: 0.9905133194140219
Energy: 0.9899460899184531
Energy: 0.9564967740138244
Energy: 0.991359727107978
Energy: 0.9897634271494695
Energy: 0.9305120818425738
Energy: 0.9908888791129496
Energy: 0.9900408583571287
Energy: 0.9305335460376367
Energy: 0.990516624509412
Energy: 0.988927812206195
Energy: 1.0752971473674284
Energy: 0.9903840264799688
Energy: 0.9902226955031044
Energy: 0.9405822717284389
Energy: 0.9911108530203812
Energy: 0.9897447351634753
Energy: 1.3920153204074734
Energy: 0.9403915895742547
Energy: 0.9310269775358465
Energy: 0.9500319789975653
Energy: 0.9567038084797246
Energy: 0.9307905164007033

minimum gb energy = 0.9304450354298492 eV
minimum distance =  2.70939203133114 Angstroms
sigma value = 27


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

Energy: 1.1627716276060784
Energy: 0.7874899091710441
Energy: 0.7909233807930122
Energy: 0.8878082625088036
Energy: 0.9554283314394393
Energy: 0.7883764308481771
Energy: 0.9821885902339301
Energy: 0.8293291301358107
Energy: 0.8293728455828802
Energy: 0.8562101069329515
Energy: 0.8728138283243967
Energy: 0.8300733186753605
Energy: 1.0280965281975283
Energy: 0.8726644166342945
Energy: 0.8724886163009066
Energy: 0.8294198236834945
Energy: 0.872397400007294
Energy: 0.8731766830297002
Energy: 0.9812072280963672
Energy: 0.8298104039972641
Energy: 0.829208415687359
Energy: 0.8730736235706841
Energy: 0.9085087175448088
Energy: 0.828913650695564
Energy: 1.1146538408702087
Energy: 0.8313986843117256
Energy: 0.8298029296941205
Energy: 0.8296916958382922
Energy: 0.8313026242198347
Energy: 0.8295569864485413
Energy: 0.9543946934319792
Energy: 0.8884567514694915
Energy: 0.8879296323687647
Energy: 0.9542321684666789
Energy: 0.8899586498886966
Energy: 0.7878465177271727
Energy: 0.9550979725464009
Energy: 0.855558053939228
Energy: 0.8304287973882891
Energy: 0.9554661395708023
Energy: 0.8559611912949495
Energy: 0.8297031799002014
Energy: 1.0043066332484027
Energy: 0.853261212669142
Energy: 0.853583381461851
Energy: 1.0043317432638608
Energy: 0.8531463544475012
Energy: 0.8284164406252413
Energy: 1.0277095146104784
Energy: 0.827904733453098
Energy: 0.8580355311743526
Energy: 0.8726356951891192
Energy: 0.8277879031174303
Energy: 0.8590089603564582
Energy: 0.8818301824356064
Energy: 0.8610350142246203
Energy: 0.8725595435479632
Energy: 0.8741486325995029
Energy: 0.8606432268264176
Energy: 0.8738183933172894
Energy: 1.0279340517775746
Energy: 0.8997374406347514
Energy: 0.9009990091105351
Energy: 0.8728605182486983
Energy: 0.9018591584371126
Energy: 0.9032948371396416
Energy: 0.9821885901327322
Energy: 0.8293861425951425
Energy: 0.8291578128678134
Energy: 0.8565179777636651
Energy: 0.873292295485847
Energy: 0.8300793076054135

minimum gb energy = 0.7874899091710441 eV
minimum distance =  2.74286818680848 Angstroms
sigma value = 9


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

Energy: 2.0800835310157932
Energy: 0.8527814487150445
Energy: 0.7933398142103777
Energy: 0.7915614075271786
Energy: 0.8024324524675385
Energy: 0.7940958794488016
Energy: 0.7818406811110704
Energy: 0.7632996951102909
Energy: 0.7637938476448086
Energy: 0.7676138697516791
Energy: 0.8013128020660698
Energy: 0.7709506702344688
Energy: 0.8622440805484525
Energy: 0.7782419140072241
Energy: 0.799899865534232
Energy: 0.8044799779475068
Energy: 0.8156876925357641
Energy: 0.7864495208743183
Energy: 0.8621186323004828
Energy: 0.7627633630035175
Energy: 0.7633014538666517
Energy: 0.7876933868176957
Energy: 0.7650530445250255
Energy: 0.763634337485999
Energy: 0.8612244527519158
Energy: 0.7636036555502832
Energy: 0.7521266244255712
Energy: 0.8182366984039968
Energy: 0.7908379416898712
Energy: 0.7770780853800291
Energy: 0.8330280231819358
Energy: 0.7645893024845369
Energy: 0.7527043827726126
Energy: 0.8334466700045938
Energy: 0.7494755740001472
Energy: 0.7524572691679268
Energy: 0.8336770285315463
Energy: 0.7637355923176772
Energy: 0.764439992805318
Energy: 0.8347111637655036
Energy: 0.763416562892998
Energy: 0.764083641372295
Energy: 0.8501083179141155
Energy: 0.7689098783917686
Energy: 0.7638252390142968
Energy: 0.8499648955676108
Energy: 0.7649094993765655
Energy: 0.7637441200732134
Energy: 0.9802570501944486
Energy: 0.7607022617098789
Energy: 0.7828766630006355
Energy: 0.7844753643648783
Energy: 0.8105422588453154
Energy: 0.7603750026938169
Energy: 0.7814417727906832
Energy: 0.762916042617776
Energy: 0.7631646543815955
Energy: 0.7962628750120521
Energy: 0.7654761176352844
Energy: 0.7634012209332782
Energy: 0.7815460783082134
Energy: 0.8073890502335236
Energy: 0.7868594984593555
Energy: 0.7940559396034584
Energy: 0.8340728276573983
Energy: 0.7762618814315442
Energy: 0.9799299437024608
Energy: 0.8018578195124677
Energy: 0.7774059186717406
Energy: 0.7767698881559886
Energy: 0.8337211123842928
Energy: 0.7883470978182125
Energy: 1.0574728725186813
Energy: 0.8061370453909362
Energy: 0.7821223414147092
Energy: 0.7619595840975
Energy: 0.8060777727482394
Energy: 0.8082346339748997
Energy: 0.9800160303358852
Energy: 0.7809802058941485
Energy: 0.7764018863220622
Energy: 0.7768002667305531
Energy: 0.8070987335160504
Energy: 0.787012922275496
Energy: 0.814386107146184
Energy: 0.7612188932331496
Energy: 0.7595536761442704
Energy: 0.8149261370374871
Energy: 0.7601424596398427
Energy: 0.7901619998501088
Energy: 0.8143125663688612
Energy: 0.7634873899446678
Energy: 0.7672079106599403
Energy: 0.8147027057058147
Energy: 0.788306467067759
Energy: 0.7846547418212411
Energy: 0.8144149253960042
Energy: 0.7588146522133508
Energy: 0.7723017760667417
Energy: 0.7994938879954985
Energy: 0.7752091492653206
Energy: 0.7781400767902878
Energy: 0.8822560306852745
Energy: 0.7898177453185953
Energy: 0.7721250956166668
Energy: 0.7743700789705044
Energy: 0.7629473819186641
Energy: 0.7799241482860481
Energy: 0.8627618253636729
Energy: 0.7639451652300765
Energy: 0.7641885888144649
Energy: 0.8004901449106139
Energy: 0.7649670828644946
Energy: 0.7638181027647243
Energy: 0.8611279864566707
Energy: 0.7758019823892818
Energy: 0.7633463953137596
Energy: 0.7771748613644962
Energy: 0.7771683161155991
Energy: 0.7632879248094677
Energy: 0.8622600390232872
Energy: 0.7802360314633977
Energy: 0.772953634116396
Energy: 0.7863312410502158
Energy: 0.7854597563634874
Energy: 0.76449905702436
Energy: 0.9046073238382631
Energy: 0.7826181320410353
Energy: 0.7516779680654564
Energy: 0.7918876825292206
Energy: 0.7841717845867757
Energy: 0.7767951428615787
Energy: 0.9043712070309204
Energy: 0.7780022981351318
Energy: 0.7753368139063567
Energy: 0.7917559092954763
Energy: 0.8006462510161939
Energy: 0.7510369767634849
Energy: 0.8621484796842153
Energy: 0.763291831266965
Energy: 0.7837307451210357
Energy: 0.8052579971012024
Energy: 0.8156559208681824
Energy: 0.7732262124394492
Energy: 1.0734943477467298
Energy: 0.7732239669242407
Energy: 0.764950844975176
Energy: 0.7643057040734265
Energy: 0.8012730985466575
Energy: 0.7806161813372824
Energy: 0.8615885363950853
Energy: 0.7604422878846863
Energy: 0.7881204200818818
Energy: 0.8180938044799675
Energy: 0.776340285985676
Energy: 0.7764669964918522
Energy: 0.808359181913952
Energy: 0.7798396447604049
Energy: 0.7923709481243046
Energy: 0.8060568738018108
Energy: 0.7497684029105675
Energy: 0.7539667985306179
Energy: 0.8331643513412053
Energy: 0.7603057291170059
Energy: 0.7637664785714097
Energy: 0.8334670138676902
Energy: 0.7768847987624138
Energy: 0.7764465101915197
Energy: 0.8332707063261983
Energy: 0.7608899163292614
Energy: 0.7785023124218895
Energy: 0.8334456625546864
Energy: 0.7959153327643822
Energy: 0.784022896076656
Energy: 0.8215642504398539
Energy: 0.7685513864768655
Energy: 0.7633595155703393
Energy: 0.7792154818339118
Energy: 0.7662465846686575
Energy: 0.7630218514656902
Energy: 0.7814458784658666
Energy: 0.7629445126771589
Energy: 0.7605571115648323
Energy: 0.7940359421381122
Energy: 0.7638829753236303
Energy: 0.7855742601134056
Energy: 1.3828963315673182
Energy: 0.7687439919254583
Energy: 0.7628952329685661
Energy: 0.7529168572157552
Energy: 0.8500964207427967
Energy: 0.7743125724646613
Energy: 0.9802929258869699
Energy: 0.8018551875561254
Energy: 0.7633995159509346
Energy: 0.7640301637772523
Energy: 0.8356897668497572
Energy: 0.7641883696818406
Energy: 0.8449059272095861
Energy: 0.8029258089340758
Energy: 0.7790654799173584
Energy: 0.7956069133881516
Energy: 0.8347512926791372
Energy: 0.7586925428669119
Energy: 0.8440134743979432
Energy: 0.7823689566637253
Energy: 0.7784001231020115
Energy: 0.7953397752041836
Energy: 0.7800746094071076
Energy: 0.7771557551657494
Energy: 0.8373891878744104
Energy: 0.7607811527200401
Energy: 0.7764917380815326
Energy: 0.7746498796741444
Energy: 0.7604660803282847
Energy: 0.7756277039320286
Energy: 0.8153550997210541
Energy: 0.769997106222549
Energy: 0.7908461309924947
Energy: 0.8153507255425132
Energy: 0.7872655744478275
Energy: 0.7747782165085526
Energy: 0.8145376197646489
Energy: 0.7683583018500925
Energy: 0.7646110114273107
Energy: 0.8013632720379515
Energy: 0.7676783660728709
Energy: 0.7649288716647697
Energy: 0.8017893243768792
Energy: 0.7586843914603265
Energy: 0.7595907975622439
Energy: 0.8015906218403255
Energy: 0.7581283270613921
Energy: 0.761116650322216
Energy: 0.8614086464084217
Energy: 0.7699688111629759
Energy: 0.7645191504469239
Energy: 0.801330508118809
Energy: 0.7692890659358965
Energy: 0.7643829433126698
Energy: 0.859110758366846
Energy: 0.7638678350152669
Energy: 0.763630234921359
Energy: 0.7767248442391944
Energy: 0.7638303389954263
Energy: 0.76652567233269
Energy: 0.862935747833957
Energy: 0.7768523783348762
Energy: 0.7642805382358276
Energy: 0.7861426051820091
Energy: 0.7783653297570121
Energy: 0.7683454657400479
Energy: 1.038195025118215
Energy: 0.7728300939545812
Energy: 0.7803146362529544
Energy: 0.7916562406676975
Energy: 0.7742911478099758
Energy: 0.750846549719506

minimum gb energy = 0.7494755740001472 eV
minimum distance =  2.69119205243862 Angstroms
sigma value = 57


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

Energy: 0.43211450493045817
Energy: 0.4337377166313974
Energy: 0.42882109331525736
Energy: 0.43076359017216886
Energy: 0.4786658018944999
Energy: 0.425898022335144
Energy: 0.43349179276402233
Energy: 0.444654566084492
Energy: 0.4403565479743306
Energy: 0.46030345564572156
Energy: 0.4505377332665944
Energy: 0.43987591855793085
Energy: 0.5260805714976055
Energy: 0.4464950100607228
Energy: 0.44211002641443004
Energy: 0.45160162714743224
Energy: 0.4503178121954103
Energy: 0.4394132430128057
Energy: 0.5266611421703966
Energy: 0.4469180427734729
Energy: 0.44209517036499646
Energy: 0.4526560482892085
Energy: 0.44883098524696885
Energy: 0.44031983853436535
Energy: 0.5215567782631583
Energy: 0.4325379510478032
Energy: 0.4300717116540519
Energy: 0.45029600145858034
Energy: 0.42829038634407585
Energy: 0.440781574699944
Energy: 0.484134780941774
Energy: 0.4270001306584587
Energy: 0.43093172912960015
Energy: 0.45259747725020333
Energy: 0.4293309056701127
Energy: 0.42868019537335267
Energy: 0.47777550879721076
Energy: 0.4447449294560449
Energy: 0.44272777353279363
Energy: 0.4488982944724061
Energy: 0.4491257204848547
Energy: 0.4381693943419887
Energy: 0.48396374279184323
Energy: 0.44525217424053043
Energy: 0.44391008665489967
Energy: 0.44860753618346694
Energy: 0.449497015243595
Energy: 0.4431879414960148
Energy: 0.5208793207347038
Energy: 0.4386895210575423
Energy: 0.43927217449208755
Energy: 0.46008100647958844
Energy: 0.4474520242292451
Energy: 0.4433371555545333
Energy: 0.4333757146570654
Energy: 0.44241090570088215
Energy: 0.42601065281320677
Energy: 0.43114449599223514
Energy: 0.45548549866383725
Energy: 0.4293416900370369
Energy: 0.4334112273374419
Energy: 0.44532807575237404
Energy: 0.44050300223208744
Energy: 0.4307837631215333
Energy: 0.4511255585734772
Energy: 0.4283914295121183
Energy: 0.5236751748761843
Energy: 0.4429531833370532
Energy: 0.439808645869896
Energy: 0.45011159932359845
Energy: 0.4565318361039734
Energy: 0.4395009198683948
Energy: 0.8516243225853414
Energy: 0.4492895111375864
Energy: 0.4420798330476993
Energy: 0.444193461010173
Energy: 0.45227624509355213
Energy: 0.43992712836636605
Energy: 0.5216044742250147
Energy: 0.4423429116680947
Energy: 0.44015218104978626
Energy: 0.45163263159889866
Energy: 0.45935366015215756
Energy: 0.44006001170411574
Energy: 0.5260811491453513
Energy: 0.4273445532940942
Energy: 0.42585817917101565
Energy: 0.45136899952481674
Energy: 0.4302975490582612
Energy: 0.4282825769580742
Energy: 0.4815820291566016
Energy: 0.44078726827071313
Energy: 0.43977400518836707
Energy: 0.4525233345305457
Energy: 0.42965567593139253
Energy: 0.44062944632792517
Energy: 0.48310184906730336
Energy: 0.4391821277532912
Energy: 0.43928449829664323
Energy: 0.46025180408657723
Energy: 0.4454500549073643
Energy: 0.4415632599051522
Energy: 0.5247677582014917
Energy: 0.4455736622517387
Energy: 0.442135334744764
Energy: 0.44802697188157975
Energy: 0.4495412165499983
Energy: 0.4412522290303367
Energy: 0.43340719909187586
Energy: 0.4453008264377091
Energy: 0.44329359143124064
Energy: 0.43000432287863705
Energy: 0.44927057303511403
Energy: 0.4408946552350823

minimum gb energy = 0.42585817917101565 eV
minimum distance =  2.77572497280019 Angstroms
sigma value = 11


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

Energy: 1.272007243089202
Energy: 0.615184957866708
Energy: 0.7629528508797682
Energy: 0.6275361826262792
Energy: 0.7665989471881439
Energy: 0.7612706639188037
Energy: 0.6476554906015352
Energy: 0.6227114216319268
Energy: 0.6232429851506732
Energy: 0.6221086786840422
Energy: 0.6216302662292059
Energy: 0.6209048363410663
Energy: 0.6405423865877587
Energy: 0.619113654639625
Energy: 0.6193910166692674
Energy: 0.6227793926311539
Energy: 0.6204385698529534
Energy: 0.6221659280365839
Energy: 0.6397733547411363
Energy: 0.6200504870594756
Energy: 0.6205973469068136
Energy: 0.6231598827176255
Energy: 0.6194533703421907
Energy: 0.6224397136656513
Energy: 0.6316857252764669
Energy: 0.6938587838813015
Energy: 0.6930103934021229
Energy: 0.6222272718607541
Energy: 0.6916136430542124
Energy: 0.6217805375444017
Energy: 0.6738787892448168
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Energy: 0.6208111610819694
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Energy: 0.675741911980025
Energy: 0.6221675799188189
Energy: 0.6228532998858607
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Energy: 0.6225664453500024
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Energy: 0.620332574298757
Energy: 0.6230223710598448
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Energy: 0.6222153934955511
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Energy: 0.6230778809299353
Energy: 0.7034492088263742
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Energy: 0.69255443287559
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Energy: 0.6929037889806512
Energy: 0.6783692997498578
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Energy: 0.7903893456741534
Energy: 0.7625165985484654
Energy: 0.762365367698427
Energy: 0.7620789669314058
Energy: 0.7625565410742271
Energy: 0.7623233627541907
Energy: 0.7918194135973394
Energy: 0.6208475368951021
Energy: 0.619638583650368
Energy: 0.6949172023352879
Energy: 0.6215269106352159
Energy: 0.6937735692292457
Energy: 0.9670756930857144
Energy: 0.7638489574374511
Energy: 0.7628788142747122
Energy: 0.6913225593598219
Energy: 0.6906682169980878
Energy: 0.762319952547067
Energy: 1.0817021730622889
Energy: 0.6215275993686996
Energy: 0.6225555604756081
Energy: 0.6176657197971214
Energy: 0.6330516885624593
Energy: 0.6198598103411653
Energy: 1.2357690641102477
Energy: 0.6918417484028658
Energy: 0.6918084580763996
Energy: 0.6161769592050587
Energy: 0.6925270570623323
Energy: 0.6920193917862393
Energy: 0.9678656451865296
Energy: 0.6231947857257338
Energy: 0.62076375926536
Energy: 0.6208469352995123
Energy: 0.6217850405170896
Energy: 0.6211480206447874
Energy: 0.8733396201771501
Energy: 0.6333858284463489
Energy: 0.6267121046959667
Energy: 0.6245404646914391
Energy: 0.6218849266718299
Energy: 0.6238468615193156
Energy: 0.9665474376020423
Energy: 0.6907998168709284
Energy: 0.6925838380497664
Energy: 0.6933107107318316
Energy: 0.7598217892564781
Energy: 0.6908191577333588
Energy: 0.6342106123913918
Energy: 0.6220924620743166
Energy: 0.6234368222451327
Energy: 0.6951462549853946
Energy: 0.6254552642274679
Energy: 0.7638335607182731
Energy: 0.6341150723221072
Energy: 0.6923167228278019
Energy: 0.6937043359760979
Energy: 0.6916467258792436
Energy: 0.6195260933722112
Energy: 0.6930044863548291
Energy: 0.6349405898788025
Energy: 0.6215179096287837
Energy: 0.621063574377638
Energy: 0.6228385786242584
Energy: 0.6209912439215497
Energy: 0.6199140909823804
Energy: 0.635747008961247
Energy: 0.6210099068121547
Energy: 0.6208013443239193
Energy: 0.624998029978732
Energy: 0.6212704364267535
Energy: 0.6193762918224822
Energy: 0.6987098490433273
Energy: 0.6194755295004112
Energy: 0.6219085622189398
Energy: 0.6906694190300716
Energy: 0.6217138664064891
Energy: 0.6222784843264735

minimum gb energy = 0.615184957866708 eV
minimum distance =  2.7399232587523 Angstroms
sigma value = 41


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

Energy: 0.7898560047419357
Energy: 0.6646397807555832
Energy: 0.7646298729588712
Energy: 1.0100640103294891
Energy: 0.795494063164888
Energy: 0.6865459486022825
Energy: 0.6986590770481991
Energy: 0.6753728057317757
Energy: 0.672262023530211
Energy: 0.6749373064265846
Energy: 0.6755114428275135
Energy: 0.6725650571270749
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Energy: 0.6740683049142906
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Energy: 0.6678499618315575
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Energy: 0.675875632309939
Energy: 0.7150995428125254
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Energy: 0.6664966151304594
Energy: 0.6721117117237603
Energy: 0.6687178673599963
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Energy: 0.6753401543642495
Energy: 0.6736430652548506
Energy: 0.673175564184375
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Energy: 0.8090382669692231
Energy: 0.8094469140173407
Energy: 0.6895174860028612
Energy: 0.8082185055557208
Energy: 0.6903110556870502
Energy: 0.9308346650169694
Energy: 0.6558423049343729
Energy: 0.654286798736313
Energy: 0.6542546407420543
Energy: 0.6553042825180166
Energy: 0.6544135795818924
Energy: 0.7696609613945444
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Energy: 0.658138717459823
Energy: 0.6672436051786559
Energy: 0.6581394845278961
Energy: 0.6636011700600644
Energy: 0.7685869232088932
Energy: 0.6638991055540098
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Energy: 0.6637978254131557
Energy: 0.6634062508437621
Energy: 0.9312593501811185
Energy: 0.6661266287402272
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Energy: 0.6677424169538744
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Energy: 0.6603511631956962
Energy: 0.6592284143593614
Energy: 0.6655986115964905
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Energy: 0.6569602607808835
Energy: 0.7083751157468374
Energy: 0.6579228318229337
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Energy: 0.6695808350765245
Energy: 0.6596268896961335
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Energy: 0.6572085345106604
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Energy: 0.6596610159264441
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Energy: 0.7064629116933031
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Energy: 0.6572917114920702
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Energy: 0.6600554282750124
Energy: 0.6576650247740972
Energy: 0.7104201124367066
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Energy: 0.6579954494640233
Energy: 0.6582675907985986
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Energy: 0.6582341924720827
Energy: 0.7104761445426769
Energy: 0.6579370894751639
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Energy: 0.6565314627770966
Energy: 0.6581601385532078
Energy: 0.657666271422642
Energy: 0.710899446684657
Energy: 0.6580165288686913
Energy: 0.6572246395845589
Energy: 0.6629049324738316
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Energy: 0.6571230283055246
Energy: 0.8718716739383524
Energy: 0.6879489835969476
Energy: 0.6879995750043809
Energy: 0.6813386310740095
Energy: 0.6880150220785413
Energy: 0.6661282289661998
Energy: 0.9320014047202448
Energy: 0.6576554505060357
Energy: 0.6579694948787813
Energy: 0.6569648691609725
Energy: 0.6599249378149832
Energy: 0.6576369790813249
Energy: 0.8912558034381197
Energy: 0.6853796076510367
Energy: 0.6649418202160975
Energy: 0.6892865177600881
Energy: 0.6863781739590054
Energy: 0.6871987074456402
Energy: 0.7308129465778417
Energy: 0.6572847935941452
Energy: 0.6572718812980154
Energy: 0.6654811055889379
Energy: 0.65755293422648
Energy: 0.6574113178745971
Energy: 0.7687065659453161
Energy: 0.6759454970185025
Energy: 0.6759021752096992
Energy: 0.6667996454875759
Energy: 0.6758727024347538
Energy: 0.6760043642900848
Energy: 0.7696107809993971
Energy: 0.7521954269088914
Energy: 0.7530443789838691
Energy: 0.6671397070346395
Energy: 0.7520866249863836
Energy: 0.6742518714757845
Energy: 0.9320090056650909
Energy: 0.670439674158305
Energy: 0.6643660425233262
Energy: 0.6812511225619576
Energy: 0.6649350740492089
Energy: 0.6817868596912848
Energy: 0.6945732014398538
Energy: 0.6936131667659292
Energy: 0.6665694477728765
Energy: 0.6826373781295766
Energy: 0.6917170538286667
Energy: 0.6658172319762025
Energy: 0.6937778045879894
Energy: 0.6818553902661663
Energy: 0.6821834686579027
Energy: 0.6752414071801445
Energy: 0.6753614855512406
Energy: 0.6821079394165702
Energy: 0.696600582007733
Energy: 0.6722250621699966
Energy: 0.6725213299446322
Energy: 0.671823208005218
Energy: 0.6725389104801193
Energy: 0.6728250195787819
Energy: 0.6943125595521974
Energy: 0.6782142279506874
Energy: 0.6779478967820372
Energy: 0.6724106345418387
Energy: 0.672700901993543
Energy: 0.6721529062359684
Energy: 0.7941731562569061
Energy: 0.6742728260344746
Energy: 0.6729208538846312
Energy: 0.6719027831284159
Energy: 0.6750005531830136
Energy: 0.673587999628657

minimum gb energy = 0.6542546407420543 eV
minimum distance =  2.72605302789642 Angstroms
sigma value = 33


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

Energy: 0.8431345794169045
Energy: 0.7276580138422978
Energy: 0.7272866308072399
Energy: 0.7398176011552403
Energy: 0.732250069567571
Energy: 0.7272396861958939
Energy: 0.7751913060630109
Energy: 0.7138237567047084
Energy: 0.7129835742932749
Energy: 0.7179383042538233
Energy: 0.713740265633544
Energy: 0.7130527938449238
Energy: 0.7368833766448969
Energy: 0.713486408038492
Energy: 0.7136862517226964
Energy: 0.7133930062775148
Energy: 0.7130198715482804
Energy: 0.7130860554888161
Energy: 0.7382370625444472
Energy: 0.715638007287807
Energy: 0.7140220925423209
Energy: 0.7120877492994059
Energy: 0.7141504936775277
Energy: 0.7129035556443812
Energy: 0.7354513559248634
Energy: 0.7174840236477638
Energy: 0.71300101158638
Energy: 0.7157609303372784
Energy: 0.72032729228284
Energy: 0.7163699323487519
Energy: 0.734397598950327
Energy: 0.7171987034449854
Energy: 0.7173445851114703
Energy: 0.7126573662342114
Energy: 0.7152502449256432
Energy: 0.714167947682913
Energy: 0.7753829221633451
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Energy: 0.7186895481378014
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Energy: 0.7370633785623849
Energy: 0.7052003202994994
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Energy: 0.7144448959604459
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Energy: 0.7290042925810092
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Energy: 0.7785652398301319
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Energy: 0.7136962529376216
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Energy: 0.7128036865411621
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Energy: 0.7540059837068113
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Energy: 0.7152745488514037
Energy: 0.7141529062830487
Energy: 0.710071028373859
Energy: 0.7116992232353467
Energy: 0.7142631761250345
Energy: 0.7671961073678916
Energy: 0.7117804764046151
Energy: 0.7040046804722553
Energy: 0.701961053905306
Energy: 0.7111826800314255
Energy: 0.7033271977231585

minimum gb energy = 0.7016400558557776 eV
minimum distance =  2.71464438367282 Angstroms
sigma value = 67


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

Energy: 1.123948941815732
Energy: 0.8092284692758372
Energy: 0.8079247445937042
Energy: 0.8089360841883552
Energy: 0.7979981285699165
Energy: 0.8090786218644953
Energy: 0.8380878393762005
Energy: 0.7710112395008005
Energy: 0.7701583646874332
Energy: 0.770292385821954
Energy: 0.7709877955310539
Energy: 0.7701093216102128
Energy: 0.7899011238656036
Energy: 0.7359216257378947
Energy: 0.7585429591562316
Energy: 0.7572041919248474
Energy: 0.7365391383750473
Energy: 0.7579729466982578
Energy: 0.7897795995404207
Energy: 0.7581458112290682
Energy: 0.7576116143812059
Energy: 0.7592322889321529
Energy: 0.7603173491928252
Energy: 0.7585758863654952
Energy: 0.8083660930487387
Energy: 0.771202766503848
Energy: 0.7713007456675597
Energy: 0.7749649850640444
Energy: 0.7712852438673932
Energy: 0.7717141958277285
Energy: 0.8097198786542074
Energy: 0.7692701278601319
Energy: 0.7734374624931444
Energy: 0.777064742321979
Energy: 0.7722321560647875
Energy: 0.7740995638596798
Energy: 0.8382406440146537
Energy: 0.7716909829848477
Energy: 0.7705832847383206
Energy: 0.7359850229265805
Energy: 0.7707618768423847
Energy: 0.7702345625707357

minimum gb energy = 0.7359216257378947 eV
minimum distance =  2.74554174584466 Angstroms
sigma value = 3


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

Energy: 1.1180767533572373
Energy: 0.8858095941323715
Energy: 0.8170478824424025
Energy: 0.9194406209848537
Energy: 0.9111575330188354
Energy: 0.8220741276643325
Energy: 0.8436633090137277
Energy: 0.8999752729746798
Energy: 0.9006510024161254
Energy: 0.8801529875665008
Energy: 0.9141696886936662
Energy: 0.8637663006018589
Energy: 0.9097530338110358
Energy: 0.8526747718731456
Energy: 0.8511645013300586
Energy: 0.9069531490608412
Energy: 0.8461952646397515
Energy: 0.8578720945138238
Energy: 0.8536155565563468
Energy: 0.8619169061926276
Energy: 0.8619489938253436
Energy: 0.8554970279013758
Energy: 0.8518811355665157
Energy: 0.8674079544422719
Energy: 0.8306788810623779
Energy: 0.8343426322863113
Energy: 0.8327660489745224
Energy: 0.8305134851998066
Energy: 0.8293786489457274
Energy: 0.8411536704028956
Energy: 0.8294553484678827
Energy: 0.8334955179328444
Energy: 0.8293209950975059
Energy: 0.8266222965461549
Energy: 0.8325477921507347
Energy: 0.8328358672854801
Energy: 0.8309319289374454
Energy: 0.8279755032041641
Energy: 0.8286813818461752
Energy: 0.8294624880229505
Energy: 0.8296704799918865
Energy: 0.8297070023208647
Energy: 1.0911345523107019
Energy: 0.8848023542256784
Energy: 0.8868085900178124
Energy: 0.9168186076513494
Energy: 0.8748154710184457
Energy: 0.8879025178240504
Energy: 0.8305629015411905
Energy: 0.8260529595359822
Energy: 0.8715551487344136
Energy: 0.8288883963603663
Energy: 0.8286716966886525
Energy: 0.8718935214039422
Energy: 0.875438989348828
Energy: 0.8945281313856499
Energy: 0.8991520915259629
Energy: 0.9178376517637454
Energy: 0.8686393642826663
Energy: 0.9029735837674994
Energy: 0.8778860265565024
Energy: 0.8308451422697813
Energy: 0.8298954934204075
Energy: 0.8278469047793373
Energy: 0.830070691995525
Energy: 0.8300507786164997
Energy: 0.8794634423573504
Energy: 0.8276887980042438
Energy: 0.8303345593102747
Energy: 0.8319485639011406
Energy: 0.826595227463476
Energy: 0.8327376791342134
Energy: 0.8614170364822565
Energy: 0.8294733878886699
Energy: 0.8313080539518081
Energy: 0.8223357782635444
Energy: 0.8260157479891941
Energy: 0.8332144168857711
Energy: 0.8979227469143286
Energy: 0.8589137682730752
Energy: 0.855343707148882
Energy: 0.8615515185323306
Energy: 0.8579797977802258
Energy: 0.8549816891426542
Energy: 0.9542416163640534
Energy: 0.9066910647525244
Energy: 0.9162001624018787
Energy: 0.8737439958261491
Energy: 0.9101234322722623
Energy: 0.8891880775959289
Energy: 0.9430849727643307
Energy: 0.8680649135437691
Energy: 0.8720878111418526
Energy: 0.8696373758262256
Energy: 0.8572400025606833
Energy: 0.8718485860343206
Energy: 0.9430015392683341
Energy: 0.853195891847471
Energy: 0.8508553010707275
Energy: 0.8542829003484543
Energy: 0.8522630768473181
Energy: 0.8323511077694733
Energy: 1.0104558044793162
Energy: 0.905558308496754
Energy: 0.9213725015870553
Energy: 0.8956701228678986
Energy: 0.9181066169410799
Energy: 0.8844304006444864
Energy: 1.0006190466292442
Energy: 0.9214662904877952
Energy: 0.9087776721260742
Energy: 0.8638877744209946
Energy: 0.9308018870147164
Energy: 0.8684747012812098
Energy: 0.9241968006456097
Energy: 0.8841862410999417
Energy: 0.9263519907047977
Energy: 0.8805581864942509
Energy: 0.884425138800091
Energy: 0.8680784743780026
Energy: 0.8424296154986841
Energy: 0.8205484981997541
Energy: 0.8203068483583809
Energy: 0.8248581053060452
Energy: 0.8186498664245363
Energy: 0.8192281069567746
Energy: 0.8437680580934349
Energy: 0.8202124255992181
Energy: 0.8172371607720891
Energy: 0.8246855041713641
Energy: 0.820811438428668
Energy: 0.8211202702444371
Energy: 0.8852641531238568
Energy: 0.8591622346512949
Energy: 0.823488636422888
Energy: 0.862817025731916
Energy: 0.8589159244074059
Energy: 0.823163298093687
Energy: 0.8871629582311399
Energy: 0.9121415411335109
Energy: 0.911883607454442
Energy: 0.884721832457239
Energy: 0.9133373541789117
Energy: 0.8704318895427481
Energy: 0.8341184009868113
Energy: 0.8375271070196004
Energy: 0.83897905020136
Energy: 0.8337819903249062
Energy: 0.8353523583286337
Energy: 0.8347933295537452
Energy: 0.9817301643236184
Energy: 0.8378218748252062
Energy: 0.8382673924393719
Energy: 0.8434223042174992
Energy: 0.8367144152933284
Energy: 0.8432938096949634
Energy: 0.8365922793283841
Energy: 0.8531577490440828
Energy: 0.8530063112477775
Energy: 0.8497127960401896
Energy: 0.8482040320094645
Energy: 0.8417120125956166
Energy: 0.8338563205754423
Energy: 0.8399415727530214
Energy: 0.8415971721815086
Energy: 0.8362583978403846
Energy: 0.8370831667806775
Energy: 0.8351234371528473
Energy: 0.8872902397923935
Energy: 0.883078740618183
Energy: 0.8557451842698343
Energy: 0.883758911446084
Energy: 0.8862159966249624
Energy: 0.8386241212973549
Energy: 0.9279520915532533
Energy: 0.8380552634233874
Energy: 0.837597133126679
Energy: 0.923896896945868
Energy: 0.8620474272285669
Energy: 0.8372500973889511
Energy: 0.8786357783778125
Energy: 0.864795630293481
Energy: 0.8635940119644521
Energy: 0.8648179471981963
Energy: 0.8661740265596359
Energy: 0.8639740859498736
Energy: 0.8370617052683077
Energy: 0.8405681595440979
Energy: 0.8358684816584503
Energy: 0.8322839229548984
Energy: 0.8391610756747395
Energy: 0.8351646277893162
Energy: 0.9640236047369403
Energy: 0.8333944235752089
Energy: 0.8861890176590197
Energy: 0.8662091780550089
Energy: 0.8325126194162352
Energy: 0.859538523463783
Energy: 0.8945639857832643
Energy: 0.8259548370683953
Energy: 0.8352773890759569
Energy: 0.8606775088032621
Energy: 0.8892175685799114
Energy: 0.8300241542923895
Energy: 0.9028176608339226
Energy: 0.8597988010018079
Energy: 0.9172993708113574
Energy: 0.8418503921344956
Energy: 0.8603828442329672
Energy: 0.8416107537427194
Energy: 0.8912699863517506
Energy: 0.8752777803281381
Energy: 0.8744614194406383
Energy: 0.8254506109893276
Energy: 0.8748168272730338
Energy: 0.9044008582186851
Energy: 0.8781393542679174
Energy: 0.8273929930582359
Energy: 0.8366845923143152
Energy: 0.8342474298411173
Energy: 0.8288970367163654
Energy: 0.8370531786334686
Energy: 0.8603132255849714
Energy: 0.8555826099628098
Energy: 0.8596714774394008
Energy: 0.8203989487520049
Energy: 0.8560294309310038
Energy: 0.904111848805741
Energy: 0.9322707979547832
Energy: 0.8737098423402633
Energy: 0.8731065236829958
Energy: 0.8649326084452186
Energy: 0.8810232896710095
Energy: 0.8693600443830488
Energy: 0.8915017053859975
Energy: 0.8879429767886823
Energy: 0.8869910287097238
Energy: 0.8393435753517487
Energy: 0.886542413818672
Energy: 0.8654885679971673
Energy: 0.9426741281642835
Energy: 0.8546540040592125
Energy: 0.8648572269236772
Energy: 0.8589358448585548
Energy: 0.8582950962083694
Energy: 0.872293361614438
Energy: 0.941897734802082
Energy: 0.8427377169911119
Energy: 0.8433721127697289
Energy: 0.858257925234353
Energy: 0.9010334713172679
Energy: 0.8717967444250344
Energy: 1.0595779653216175
Energy: 0.8686972679264029
Energy: 0.86686157114435
Energy: 0.9240636934245606
Energy: 0.8623777485795796
Energy: 0.8957931802981507
Energy: 0.9632722627475044
Energy: 0.8608417267652463
Energy: 0.8625663943955063
Energy: 0.9192076864206723
Energy: 0.8553979607210863
Energy: 0.8694994675156608
Energy: 1.0416011965307583
Energy: 0.8665482862220898
Energy: 0.9111830239510813
Energy: 0.9356939363919775
Energy: 0.8642484135759968
Energy: 0.9115710319117151
Energy: 0.8356002245700554
Energy: 0.8140105282676366
Energy: 0.8159323784243053
Energy: 0.8147571746431288
Energy: 0.8115756358611679
Energy: 0.8157962002973543
Energy: 0.8360201939181162
Energy: 0.8198032413956924
Energy: 0.8139348367916807
Energy: 0.8185195704168546
Energy: 0.817307264354911
Energy: 0.8108671921555376
Energy: 0.8362519699887097
Energy: 0.8135585181624224
Energy: 0.8165472439800461
Energy: 0.8131147020558535
Energy: 0.8142179117042249
Energy: 0.8106363247372408
Energy: 0.8894225259892203
Energy: 0.8778079317585492
Energy: 0.8618529613032492
Energy: 0.8790624942442852
Energy: 0.8775288863549033
Energy: 0.8666312093450451
Energy: 0.8863908092837826
Energy: 0.8789188272700862
Energy: 0.8703214605404331
Energy: 0.8891741891511017
Energy: 0.8672016015186151
Energy: 0.86033644795637
Energy: 0.8438287295384316
Energy: 0.8936828742760506
Energy: 0.8896376701301597
Energy: 0.8440164965182293
Energy: 0.8712367307704425
Energy: 0.8634390575716783

minimum gb energy = 0.8106363247372408 eV
minimum distance =  2.70072974990954 Angstroms
sigma value = 81


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

Energy: 1.6483381965538144
Energy: 0.966585855162745
Energy: 0.8847111415656268
Energy: 0.8946415544859745
Energy: 0.9568149739390659
Energy: 0.9658957569518452
Energy: 0.9123656970644509
Energy: 0.8286953297027617
Energy: 0.8282517933090155
Energy: 0.8010770070677888
Energy: 0.8463115605392487
Energy: 0.8542623378984441
Energy: 0.9308274754485463
Energy: 0.8888483713292987
Energy: 0.8882873704631358
Energy: 0.8108894482101389
Energy: 0.8888131051459307
Energy: 0.9280450937263311
Energy: 0.8109700449691171
Energy: 0.8895314573339291
Energy: 0.8517986177990863
Energy: 0.8580078899633353
Energy: 0.8896449206410493
Energy: 0.8052267922914306
Energy: 0.9758812335430875
Energy: 0.8512189801995771
Energy: 0.8497078777862623
Energy: 0.9650846838860822
Energy: 0.8542601388237233
Energy: 0.8492296036490571
Energy: 1.0009491265221242
Energy: 0.9669251847591251
Energy: 0.9669703733118402
Energy: 0.983956984960353
Energy: 0.8543034592713511
Energy: 0.9731096159358235
Energy: 0.9752924617189966
Energy: 0.9741921657169037
Energy: 0.9739758615428039
Energy: 0.9745393131135536
Energy: 0.8200064312626624
Energy: 0.9754248846570504
Energy: 0.9803760503167424
Energy: 1.1295081814038548
Energy: 1.1299586761189329
Energy: 0.9519218955276417
Energy: 0.9729502782391395
Energy: 0.9819960608196417
Energy: 0.9740977656617998
Energy: 1.0047733523690345
Energy: 1.0051685405633948
Energy: 0.9719097621822332
Energy: 0.9379904104372486
Energy: 0.9913355308031854
Energy: 0.9963960210042422
Energy: 0.9254887535072046
Energy: 0.9219122090192684
Energy: 0.9777793253237597
Energy: 0.8501656137747803
Energy: 0.851924632062997
Energy: 0.9843977645697544
Energy: 0.8977017845546608
Energy: 0.8998529059674902
Energy: 0.9633830232962481
Energy: 0.8325919662523535
Energy: 0.9268339496085204
Energy: 0.9544390893632942
Energy: 1.0539752321011904
Energy: 0.9392692966683901
Energy: 0.8966555365198764
Energy: 0.9392290218672232
Energy: 0.9397220908763058
Energy: 0.9439606821242611
Energy: 0.9378397224781884
Energy: 0.9380258674978991
Energy: 0.8888320608532301
Energy: 0.9617285541476921
Energy: 0.88837303157427
Energy: 0.9720412606241772
Energy: 0.9238962276098919
Energy: 0.9289998049220196
Energy: 0.9236006535725596
Energy: 0.9442013240069912
Energy: 1.0049261715396285
Energy: 0.9740296326148927
Energy: 1.076205124389023
Energy: 0.9741289146323616
Energy: 1.0642273584756665
Energy: 1.0732513694988326
Energy: 1.0646003755827915
Energy: 0.9735553160141648
Energy: 1.0711242360205147
Energy: 0.975972435633744
Energy: 0.9214218582673932
Energy: 1.069166711726756
Energy: 1.0670793408782198
Energy: 1.0416665552818027
Energy: 0.9526298843124248
Energy: 0.9533036286716172
Energy: 0.9756120742476857
Energy: 0.9518360839475767
Energy: 0.9546921651586774
Energy: 1.1762600876114873
Energy: 1.0557773087331388
Energy: 1.1205978198633706
Energy: 1.1208970070713236
Energy: 1.0561424616402288
Energy: 1.1240816887999725
Energy: 0.9554420090802381
Energy: 1.0593194162892423
Energy: 0.849855798529329
Energy: 0.8506943198526835
Energy: 1.0605405655771118
Energy: 0.8494758612083958
Energy: 0.9574658869066709
Energy: 1.0589709215678684
Energy: 0.8499520806935762
Energy: 0.8484159302941977
Energy: 1.0587896787885518
Energy: 0.8493103169631967
Energy: 1.1058518969913176
Energy: 1.0308771393474987
Energy: 1.0532601265341308
Energy: 1.0531550347460417
Energy: 1.0021734148847268
Energy: 1.058530286428805
Energy: 0.9516586516844268
Energy: 0.8884059147543716
Energy: 0.8880873795887044
Energy: 0.9168221934078012
Energy: 0.8881152615522768
Energy: 0.8878336118153013
Energy: 0.9646705211120312
Energy: 1.0000611815021423
Energy: 1.0001114926157448
Energy: 0.9425884653585831
Energy: 0.9277338261261764
Energy: 0.9204034731560173
Energy: 0.9868209283885548
Energy: 0.9784815022156856
Energy: 0.9793005182764117
Energy: 0.9902241525797689
Energy: 0.9704893393312954
Energy: 0.9742727516799038
Energy: 0.9865350886468544
Energy: 1.0615571160080948
Energy: 1.0614487287105194
Energy: 0.969494651244635
Energy: 0.9740057715031409
Energy: 0.9696923746773275
Energy: 1.0220143453538049
Energy: 1.040225420711452
Energy: 1.0033451784376057
Energy: 0.9517105537252046
Energy: 1.0300120728093973
Energy: 1.0088048817488724
Energy: 1.0224309930443383
Energy: 1.0069934289944333
Energy: 1.007394862002696
Energy: 0.9485655331074587
Energy: 1.127080477734996
Energy: 1.0124784953140766
Energy: 0.9860444403291303
Energy: 0.8329263501405932
Energy: 0.9597707628693111
Energy: 0.96394821125697
Energy: 0.8923285886432448
Energy: 0.9665521731053069
Energy: 0.9717266441799468
Energy: 0.8506120250444048
Energy: 0.8518194410034088
Energy: 0.9676546238741712
Energy: 0.9217598840716088
Energy: 0.9218180333800017
Energy: 0.9586050348549969
Energy: 0.9403398016394678
Energy: 0.9392635340649849
Energy: 0.9341111001860527
Energy: 0.9409694147964924
Energy: 0.9298773713299003
Energy: 0.9192548086604139
Energy: 0.9373048706578181
Energy: 0.9404710909595871
Energy: 0.8899418489660357
Energy: 1.0798014996446659
Energy: 0.887622780539624
Energy: 0.960834960148391
Energy: 0.9129222731692529
Energy: 0.9127635389917924
Energy: 0.9217259901248251
Energy: 0.9420461866834301
Energy: 0.9126862362683094
Energy: 1.040463848955827
Energy: 0.96489083547729
Energy: 0.8471097833112309
Energy: 0.9683819487068097
Energy: 0.965467005259035
Energy: 0.9641339244622203
Energy: 1.0395323625289405
Energy: 0.8483123316178603
Energy: 0.9687340274153249
Energy: 0.8506373158128647
Energy: 0.8447420849626386
Energy: 0.8507389012930079
Energy: 0.9723931014693503
Energy: 0.8506918726732089
Energy: 0.9054727706505284
Energy: 0.9103965754712083
Energy: 0.9468501081638492
Energy: 0.9104017947783203
Energy: 1.1898407485392541
Energy: 0.952007929074265
Energy: 0.9525071592260291
Energy: 0.8950830554793372
Energy: 0.9514355012375197
Energy: 1.1161579745046293
Energy: 0.8105137535227898
Energy: 0.8474546563777683
Energy: 0.8444895515384998
Energy: 0.8851044475735416
Energy: 0.8444413426370014
Energy: 0.8508285807932513
Energy: 0.9623212081381974
Energy: 0.8707530369240899
Energy: 0.8746981112362655
Energy: 0.8487189546487973
Energy: 0.8710874615451599
Energy: 0.8685210489316205

minimum gb energy = 0.8010770070677888 eV
minimum distance =  2.67115337652822 Angstroms
sigma value = 43


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

Energy: 1.1758961997541848
Energy: 0.841741972459916
Energy: 0.8115352752576974
Energy: 0.9567703047220006
Energy: 0.8544998707142287
Energy: 0.9901727196822321
Energy: 0.8361880611809462
Energy: 0.7952192148442399
Energy: 0.7818775785347374
Energy: 0.856245901932172
Energy: 0.7998041025484931
Energy: 0.8263496986526522
Energy: 0.8948495756015781
Energy: 0.8376130952487306
Energy: 0.8375731940349185
Energy: 0.8937529567899578
Energy: 0.8384484005437575
Energy: 0.8544924192432098
Energy: 0.8774632746589796
Energy: 0.8365344176809607
Energy: 0.827583574593718
Energy: 0.8777834932200939
Energy: 0.8379998136884101
Energy: 0.8176016145013548
Energy: 0.8067378936319316
Energy: 0.7788106348359645
Energy: 0.7788115648166489
Energy: 0.7799168954753557
Energy: 0.7789335145426568
Energy: 0.7788011408716863
Energy: 0.807007712277438
Energy: 0.7788353721166499
Energy: 0.7784930970830324
Energy: 0.7786918483101498
Energy: 0.7788692818160717
Energy: 0.7784213897192563
Energy: 0.8031877964777189
Energy: 0.780407812648905
Energy: 0.7797091505718368
Energy: 0.7797617011758013
Energy: 0.8022787990235174
Energy: 0.7797863149052775
Energy: 0.8905377062896795
Energy: 0.8695144305109817
Energy: 0.8735645635810793
Energy: 0.8274186677388422
Energy: 0.8699232435106752
Energy: 0.8693916303511003
Energy: 0.8021006761848736
Energy: 0.8572591219374667
Energy: 0.8652798812094301
Energy: 0.7960023212657804
Energy: 0.8586293543677181
Energy: 0.9285300772405327
Energy: 0.9410461203136845
Energy: 0.8851868778863827
Energy: 0.8703239891761502
Energy: 0.8718646031898145
Energy: 0.882891599711785
Energy: 0.8668504359872408
Energy: 0.8035122081332994
Energy: 0.8897159317194244
Energy: 0.8870532610421505
Energy: 0.7942333117309162
Energy: 0.8081652901549704
Energy: 0.7970676351415699
Energy: 0.9167001582767136
Energy: 0.8608083371212073
Energy: 0.8558284614910022
Energy: 0.7807112713773102
Energy: 0.8582968310115726
Energy: 0.8659463745436867
Energy: 0.9173295339862304
Energy: 0.8606199593065199
Energy: 0.8849512052228757
Energy: 0.8416866983970651
Energy: 0.8595623630818262
Energy: 0.8770180157507731
Energy: 0.8037018879790299
Energy: 0.794906891852221
Energy: 0.7954078575383229
Energy: 0.7941654111248475
Energy: 0.7942258186142889
Energy: 0.7959619960043582
Energy: 0.802860520764916
Energy: 0.8206827560440402
Energy: 0.7965756315063738
Energy: 0.7947468107483289
Energy: 0.7793246850635716
Energy: 0.7961531652847644
Energy: 0.8005093317753241
Energy: 0.7797713927023213
Energy: 0.8550693985665775
Energy: 0.8008070711643908
Energy: 0.7800183902160964
Energy: 0.8038534274983032
Energy: 0.8244417529869397
Energy: 0.82518726300475
Energy: 0.8275536951851761
Energy: 0.8272549049183673
Energy: 0.8064405145700461
Energy: 0.8283574228298827
Energy: 0.8249466015964227
Energy: 0.822916706782889
Energy: 0.8222973347719027
Energy: 0.8265282716791573
Energy: 0.8263012205401574
Energy: 0.8230373461123645
Energy: 0.9532450061927599
Energy: 0.8256915765672544
Energy: 0.825880637461755
Energy: 0.9314892237731206
Energy: 0.8269035423876943
Energy: 0.8618479031153454
Energy: 0.9588968525035186
Energy: 0.8253994408987201
Energy: 0.8236258182686795
Energy: 0.871663872168658
Energy: 0.8246462654750015
Energy: 0.8677062239066621
Energy: 0.8256034427007922
Energy: 0.8257442976713826
Energy: 0.8257218891154339
Energy: 0.8237175708797584
Energy: 0.8077134533708933
Energy: 0.8246073193370005
Energy: 0.8851006954409184
Energy: 0.898187354712257
Energy: 0.9106463760632914
Energy: 0.8160156521674609
Energy: 0.8472146381910488
Energy: 0.9825958319742183
Energy: 0.9153703381672804
Energy: 0.825249522730821
Energy: 0.8269073703044498
Energy: 0.8328502766098124
Energy: 0.822576718067461
Energy: 0.8260827577488896
Energy: 0.8573589713332378
Energy: 0.8246821494005996
Energy: 0.8248448952434148
Energy: 0.8073743626402122
Energy: 0.8229899714548176
Energy: 0.8271680429163399
Energy: 0.9187968757311573
Energy: 0.8259092658691224
Energy: 0.8259444284937767
Energy: 0.8341383193172085
Energy: 0.8248351222514105
Energy: 0.8287484373138329
Energy: 0.8353525598293601
Energy: 0.8008716970248764
Energy: 0.7948188578537712
Energy: 0.7951473878144124
Energy: 0.7994360566424283
Energy: 0.7960196519989495
Energy: 0.8353951246543521
Energy: 0.7925022606595317
Energy: 0.7938839255711453
Energy: 0.79499220611134
Energy: 0.7983313151454497
Energy: 0.7951635644676077
Energy: 0.8350819719406454
Energy: 0.7936625353045168
Energy: 0.7969121086195589
Energy: 0.8022573377752789
Energy: 0.7971248592606098
Energy: 0.7968297875975298
Energy: 0.9105200922820045
Energy: 0.8658390020258732
Energy: 0.8619896477217538
Energy: 0.9075006590792911
Energy: 0.8315200538762537
Energy: 0.8631443763141364
Energy: 0.8569467434776954
Energy: 0.7944777605922444
Energy: 0.795089079710449
Energy: 0.8580132019066992
Energy: 0.7944870519353154
Energy: 0.8275812322363149
Energy: 0.9993685542733105
Energy: 0.8190729042297658
Energy: 0.8423022500985081
Energy: 0.9029026941099056
Energy: 0.8190169811310448
Energy: 0.8417493460706895

minimum gb energy = 0.7784213897192563 eV
minimum distance =  2.68998738524578 Angstroms
sigma value = 57


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

Energy: 1.0234379580316573
Energy: 0.8282196997762349
Energy: 0.9644993196215238
Energy: 0.7953888511997952
Energy: 0.8810005242505379
Energy: 0.964338439006843
Energy: 0.7703154444619482
Energy: 0.761574984120642
Energy: 0.761280619777284
Energy: 0.7615564739042492
Energy: 0.7712748379930439
Energy: 0.7615317197607836
Energy: 0.8464635817122292
Energy: 0.759011758111751
Energy: 0.759268332648757
Energy: 0.8484628724793191
Energy: 0.7623363189837351
Energy: 0.7589143607316683
Energy: 0.8470720541168634
Energy: 0.7659551937505313
Energy: 0.7662446694665551
Energy: 0.8473177018954567
Energy: 0.7606558051917812
Energy: 0.7702500821936168
Energy: 0.7880468397800218
Energy: 0.7600105789140756
Energy: 0.7599663137620096
Energy: 0.7636707479905565
Energy: 0.7603355418894581
Energy: 0.7599975020662915
Energy: 0.7738619588595899
Energy: 0.7638370279686981
Energy: 0.7638025039140095
Energy: 0.7608087935508973
Energy: 0.7603121815704543
Energy: 0.7604240909123914
Energy: 0.8709813298468704
Energy: 0.7657373653153084
Energy: 0.7599019336014713
Energy: 0.7713390908950817
Energy: 0.8492509334935605
Energy: 0.7713374150622576
Energy: 0.7957265644223992
Energy: 0.8492025199776393
Energy: 0.8497091515444689
Energy: 0.763758855083169
Energy: 0.8043478507747798
Energy: 0.7908397562094
Energy: 0.8702004752527611
Energy: 0.8464953335466212
Energy: 0.8463775640936525
Energy: 0.7605893284853509
Energy: 0.8442302576727532
Energy: 0.7622553553647146
Energy: 1.0435436403712346
Energy: 0.8460326124646044
Energy: 0.8812196418980109
Energy: 0.9678659179666279
Energy: 0.8458505087430503
Energy: 0.8006786714896755
Energy: 0.8472383534947929
Energy: 0.771539331231765
Energy: 0.7717738248732904
Energy: 0.8442598707075182
Energy: 0.7882733915693805
Energy: 0.849034466387378
Energy: 0.7653409685324297
Energy: 0.8476178583829351
Energy: 0.8260470701823773
Energy: 0.7618217189065103
Energy: 0.846267531502259
Energy: 0.8592405879567185
Energy: 0.7642774009915403
Energy: 0.8491036302792418
Energy: 0.8714799370219121
Energy: 0.8811161230888139
Energy: 0.76239333857918
Energy: 0.8808984008544827
Energy: 0.8476263050874685
Energy: 0.7632391038695101
Energy: 0.7618030415394476
Energy: 0.8440975101363143
Energy: 0.76097207781619
Energy: 0.7615246105657177
Energy: 0.8475322910124595
Energy: 0.7598432770421815
Energy: 0.7729170680269635
Energy: 0.807051486635241
Energy: 0.7631626918400395
Energy: 0.7724668889538128
Energy: 0.8495952828473571
Energy: 0.7716456005360547
Energy: 0.7693445127908426
Energy: 0.8504806233214683
Energy: 0.7702661943637275
Energy: 0.7642196697132828
Energy: 0.7880430674004636
Energy: 0.7609216150704196
Energy: 0.7607012324769206
Energy: 0.7592563318499986
Energy: 0.7603841319842877
Energy: 0.7632747662429342
Energy: 0.7871102636273618
Energy: 0.7606564387243967
Energy: 0.7596891819778145
Energy: 0.7613834276150426
Energy: 0.7629607234664009
Energy: 0.7602023273693562
Energy: 0.8713757694380313
Energy: 0.8493261886113312
Energy: 0.8507836731759885
Energy: 0.7662257246658658
Energy: 0.8232518568127036
Energy: 0.8496276803502125
Energy: 0.8713057049550683
Energy: 0.8494018863722176
Energy: 0.8437319390305675
Energy: 0.7666104652991493
Energy: 0.8487174987958025
Energy: 0.8441850633367657
Energy: 0.870685583196133
Energy: 0.7723060502064375
Energy: 0.7618960688479383
Energy: 0.7637336776523604
Energy: 0.8275854855240629
Energy: 0.7698495058635799
Energy: 0.9482093720279806
Energy: 0.8450703598304967
Energy: 0.8641360509083683
Energy: 0.8216346667353935
Energy: 0.8493158493394357
Energy: 0.7992140878770368
Energy: 0.8501801885891038
Energy: 0.843667759360198
Energy: 0.7644865401533089
Energy: 0.8241926311668388
Energy: 0.8428686488769811
Energy: 0.7622843790836064
Energy: 0.7641310063574204
Energy: 0.8501125637052548
Energy: 0.8826400129769795
Energy: 0.8854441034685027
Energy: 0.7622627202853988
Energy: 0.8810677556181492

minimum gb energy = 0.7589143607316683 eV
minimum distance =  2.71840389042731 Angstroms
sigma value = 17


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

Energy: 1.061456845152994
Energy: 0.9027855543419726
Energy: 0.902867370698968
Energy: 0.7630254415528919
Energy: 0.8993153727718631
Energy: 0.7358081293534905
Energy: 0.8182317430835335
Energy: 0.8292459904458273
Energy: 0.7390758793456529
Energy: 0.8690618742712338
Energy: 0.8282120938425097
Energy: 0.7384337520763612
Energy: 0.8808693942087672
Energy: 0.7179940323448656
Energy: 0.7176306863092455
Energy: 0.8141943034678556
Energy: 0.7183522740744166
Energy: 0.7171074228823198
Energy: 0.8693991526290223
Energy: 0.7178542638773069
Energy: 0.7172564358816031
Energy: 0.8699236484294489
Energy: 0.7136299044499986
Energy: 0.7395227553239662
Energy: 0.8823194801055646
Energy: 0.6962152049246536
Energy: 0.6964217653718088
Energy: 0.8828184516265841
Energy: 0.6962794177388049
Energy: 0.6969487304544484
Energy: 0.7609231577638621
Energy: 0.7034595083203369
Energy: 0.7035002413112493
Energy: 0.6873556768664856
Energy: 0.6956652197912013
Energy: 0.6775818652586981
Energy: 0.7405778760476911
Energy: 0.7134681993320162
Energy: 0.680978624557341
Energy: 0.6827645844253721
Energy: 0.8022833884296989
Energy: 0.6801054306250133
Energy: 0.7407362824272422
Energy: 0.6812044159002938
Energy: 0.6811727588751136
Energy: 0.6805681965433021
Energy: 0.6804309531337122
Energy: 0.6811718528581348
Energy: 0.8023865501827602
Energy: 0.6785694210219263
Energy: 0.6810587059936238
Energy: 0.8026363204205272
Energy: 0.6788046929449895
Energy: 0.6784017100001346
Energy: 0.8013058265740374
Energy: 0.703814640048431
Energy: 0.7042702180101266
Energy: 0.7553607221551687
Energy: 0.7039103597006855
Energy: 0.7040063257374695
Energy: 0.7183358086023397
Energy: 0.6974665685419053
Energy: 0.6969559700353362
Energy: 0.6966154141794401
Energy: 0.6949142971641528
Energy: 0.6966097797966573
Energy: 0.8858268694251197
Energy: 0.870746871815025
Energy: 0.8273040749199174
Energy: 0.7020497756119717
Energy: 0.87099908691376
Energy: 0.7392825914362895
Energy: 0.8832426370504145
Energy: 0.7854465617737451
Energy: 0.7860651342461121
Energy: 0.7015952505538088
Energy: 0.8140614016199571
Energy: 0.7693800000424466
Energy: 0.9125629976658689
Energy: 0.8526624363280897
Energy: 0.7240107909618366
Energy: 0.8572957682347974
Energy: 0.8710529340035614
Energy: 0.7238668016658069
Energy: 0.8194139094839434
Energy: 0.8278212849647125
Energy: 0.8122241215540728
Energy: 0.8527683475798933
Energy: 0.8286233595954852
Energy: 0.8117829722401463
Energy: 0.8333099788654186
Energy: 0.8720867883410264
Energy: 0.7396352620779367
Energy: 0.787626743148112
Energy: 0.8708673969593409
Energy: 0.8290451626865616
Energy: 0.9013481720800691
Energy: 0.7854191259272079
Energy: 0.916786786078689
Energy: 0.7305533518010501
Energy: 0.8139528114265001
Energy: 0.8791144166136257

minimum gb energy = 0.6775818652586981 eV
minimum distance =  2.63768656206455 Angstroms
sigma value = 17


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

Energy: 0.7397310310889158
Energy: 0.8164878684974196
Energy: 0.7233273419710926
Energy: 0.6765091858427295
Energy: 0.7224929875341939
Energy: 0.7231497017293287
Energy: 0.7882662203358614
Energy: 0.7998370829847685
Energy: 0.6479760080018614
Energy: 0.7214766064052203
Energy: 0.7196699086554991
Energy: 0.6757784331367913
Energy: 1.0092869447791113
Energy: 0.6304790001401477
Energy: 0.6657146841965174
Energy: 0.717529905997388
Energy: 0.6304517902495571
Energy: 0.6650124025305162
Energy: 0.8607146096275821
Energy: 0.6658284558111496
Energy: 0.6654160278218475
Energy: 0.8615813511324554
Energy: 0.6250983006652258
Energy: 0.6653374284686009
Energy: 0.7726375522162675
Energy: 0.6435862866298765
Energy: 0.6440578627699056
Energy: 0.7253646366306972
Energy: 0.6465882276147817
Energy: 0.6444201206617813
Energy: 0.7314242741028424
Energy: 0.6438757819240406
Energy: 0.6247044517144185
Energy: 0.6276422134369849
Energy: 0.6438112637498484
Energy: 0.6252167115714973
Energy: 0.7327471220432981
Energy: 0.7045457227355001
Energy: 0.692963327784502
Energy: 0.6183278342070103
Energy: 0.7656083075324864
Energy: 0.621763410430161
Energy: 0.6673556372547736
Energy: 0.6120930344470236
Energy: 0.6179096582165716
Energy: 0.6211627753981378
Energy: 0.6130911097870777
Energy: 0.6200921184696289
Energy: 0.7302632626777193
Energy: 0.6186023307074532
Energy: 0.6181266857609424
Energy: 0.7311938208614702
Energy: 0.6212871693632187
Energy: 0.6229374197858893
Energy: 0.7349505884144929
Energy: 0.6135146033795911
Energy: 0.6129658361100349
Energy: 0.7297740936793543
Energy: 0.6138647744441514
Energy: 0.6129929182353234
Energy: 0.7336961171319596
Energy: 0.6150532434182189
Energy: 0.6177501910803087
Energy: 0.6141073126624211
Energy: 0.7297680147786731
Energy: 0.6179745978892336
Energy: 0.7304782708805424
Energy: 0.7290496508927703
Energy: 0.6179703076673494
Energy: 0.6183516907490517
Energy: 0.729353712449995
Energy: 0.6181341642363909
Energy: 0.7417320627165818
Energy: 0.6177602014718591
Energy: 0.6170805778659779
Energy: 0.6190402752619681
Energy: 0.6219279218526869
Energy: 0.6173878237772801
Energy: 0.7628181411384115
Energy: 0.6217007682967961
Energy: 0.6215969777755647
Energy: 0.7639158249327485
Energy: 0.61729453241655
Energy: 0.704945026205083
Energy: 0.7627608893566715
Energy: 0.6211294195784558
Energy: 0.62831377771973
Energy: 0.6447877540364498
Energy: 0.6211593064703377
Energy: 0.6449499088248699
Energy: 0.7635027392713175
Energy: 0.6440380329372666
Energy: 0.6441222176409098
Energy: 0.646089128313588
Energy: 0.7825251821741345
Energy: 0.6442535584624427
Energy: 0.7297632254896477
Energy: 0.705322349513081
Energy: 0.706209391226286
Energy: 0.6400628564849433
Energy: 0.7864286240953504
Energy: 0.6484035464864303
Energy: 0.7754418462530359
Energy: 0.7065498567537932
Energy: 0.706942252392311
Energy: 0.6736527230403511
Energy: 0.7051599264084032
Energy: 0.6485488016426502
Energy: 0.9485553794547682
Energy: 0.7180780313852932
Energy: 0.6764139347586846
Energy: 0.7199274626063972
Energy: 0.649284613808715
Energy: 0.6444178168204485
Energy: 1.0128289646771984
Energy: 0.6681375558767406
Energy: 0.6680435813770577
Energy: 0.7083072820223965
Energy: 0.6698237197709295
Energy: 0.7361440447158656
Energy: 0.9485472561008335
Energy: 0.7069722876851001
Energy: 0.6750865747011682
Energy: 0.7238924997651056
Energy: 0.7068868928098967
Energy: 0.6736155577636456
Energy: 0.7373900292535535
Energy: 0.737027639940023
Energy: 0.7473844629699695
Energy: 0.6719439289296966
Energy: 0.7356318161632176
Energy: 0.6734962057971934
Energy: 0.7409269968723506
Energy: 0.7247365848136368
Energy: 0.723278289488756
Energy: 0.6293762057663159
Energy: 0.7233917988506011
Energy: 0.688749670413512
Energy: 1.0247977175987086
Energy: 0.6511916150466
Energy: 0.6749452427720121
Energy: 0.7270714697804402
Energy: 0.624952410633621
Energy: 0.7065316080675972
Energy: 0.8581671256283379
Energy: 0.63074123255155
Energy: 0.6663147540650082
Energy: 0.771452924255122
Energy: 0.6314758948547817
Energy: 0.665688624681925
Energy: 0.8603525315838616
Energy: 0.6468760934018938
Energy: 0.6474116211279155
Energy: 0.711331204894907
Energy: 0.6461389935306548
Energy: 0.6438232370222401
Energy: 0.7325115695737626
Energy: 0.6462569426460478
Energy: 0.6447749268322276
Energy: 0.6272028101070308
Energy: 0.6466080324924113
Energy: 0.6410175275607143
Energy: 0.7205008115625894
Energy: 0.7063697681301666
Energy: 0.705515440503471
Energy: 0.6748159384848155
Energy: 0.76573718788125
Energy: 0.6466761313584499
Energy: 0.6684474461253516
Energy: 0.6189562728459548
Energy: 0.6189006898576327
Energy: 0.6191898591135001
Energy: 0.6502674838065815
Energy: 0.6184524304766715
Energy: 0.7297519863509494
Energy: 0.6123743555637778
Energy: 0.6180762770661871
Energy: 0.7292288123157298
Energy: 0.6131047760777468
Energy: 0.6175064204431936
Energy: 0.7307830493478095
Energy: 0.6143294213393141
Energy: 0.6142668984060065
Energy: 0.7312963011284865
Energy: 0.6144242064250884
Energy: 0.6142970586666028
Energy: 0.7096139566010322
Energy: 0.6150922351072007
Energy: 0.6151943533120823
Energy: 0.6172817559928134
Energy: 0.6154372168302514
Energy: 0.6155678540225723
Energy: 0.736036613919153
Energy: 0.7294420450898965
Energy: 0.7290252035614345
Energy: 0.6894340783512503
Energy: 0.7301416318554323
Energy: 0.7296547322391727
Energy: 0.7074553093230397
Energy: 0.6279815511778513
Energy: 0.6217464518317452
Energy: 0.6197458395766977
Energy: 0.6255751586302173
Energy: 0.6224183726124977
Energy: 0.7651462172354154
Energy: 0.6200760010919018
Energy: 0.6200478042277835
Energy: 0.7653493646613937
Energy: 0.619268370478217
Energy: 0.6191397726823257
Energy: 0.7639584196085925
Energy: 0.6218141643631163
Energy: 0.6448810986778019
Energy: 0.7640349941896708
Energy: 0.6219430584246106
Energy: 0.6444468542825492
Energy: 0.7125134274142935
Energy: 0.6452934146613314
Energy: 0.644669059595315
Energy: 0.6439369932666564
Energy: 0.6408355899699084
Energy: 0.6440730175350864
Energy: 0.7288591092089163
Energy: 0.7269918910542185
Energy: 0.6465489133535381
Energy: 0.6446592741268979
Energy: 0.8595641222972797
Energy: 0.6771468508637651
Energy: 0.7339001833681605
Energy: 0.7093096400526048
Energy: 0.6647746688067739
Energy: 0.6493534316761356
Energy: 0.7253517882584802
Energy: 0.6655987543609186
Energy: 0.7624562816143505
Energy: 0.7083587692867972
Energy: 0.708069022357177
Energy: 0.6497881027094989
Energy: 0.7217137286748099
Energy: 0.6752531190582299
Energy: 0.9530237706280077
Energy: 0.6558787797476184
Energy: 0.7463017690504565
Energy: 0.7508380611140415
Energy: 0.6561905400443336
Energy: 0.7224047594072144
Energy: 1.0241505650599592
Energy: 0.6944540261269171
Energy: 0.6471778229463409
Energy: 0.7179411547612816
Energy: 0.6510459523578327
Energy: 0.7064977944494265
Energy: 0.7384710949044159
Energy: 0.7069991278513358
Energy: 0.7065458165241046
Energy: 0.6302734266664893
Energy: 0.7054923751378457
Energy: 0.688736274707367

minimum gb energy = 0.6120930344470236 eV
minimum distance =  2.71182563766711 Angstroms
sigma value = 57


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

Energy: 0.664689284812332
Energy: 0.7399863552156785
Energy: 0.6669816577505425
Energy: 0.5846550733727415
Energy: 0.8130362216574416
Energy: 0.6679464607582495
Energy: 0.7496942720942005
Energy: 0.6019965518770775
Energy: 0.6023898554463931
Energy: 0.6616962204981727
Energy: 0.6739209796079222
Energy: 0.6261433803649025
Energy: 0.9375561742830233
Energy: 0.5824191662377003
Energy: 0.5819751627432361
Energy: 0.6481421261424043
Energy: 0.5823269505922026
Energy: 0.6169040247291796
Energy: 0.8121280687517621
Energy: 0.5820866695549407
Energy: 0.6168523424654611
Energy: 0.742354041499515
Energy: 0.5753062182663533
Energy: 0.6162709709687959
Energy: 0.7162478973492797
Energy: 0.6044639283749264
Energy: 0.6029478525271715
Energy: 0.6734386639395261
Energy: 0.6052339808792992
Energy: 0.5974101191800553
Energy: 0.6527653253020669
Energy: 0.597508561924223
Energy: 0.5798427904532953
Energy: 0.565291560639779
Energy: 0.5971447032696208
Energy: 0.5805647339208252
Energy: 0.6774312793238344
Energy: 0.6608294177523212
Energy: 0.6610315602755142
Energy: 0.5720807437992451
Energy: 0.725519206139682
Energy: 0.5723529266717894
Energy: 0.6782917377074936
Energy: 0.5620083807221019
Energy: 0.5622265773313565
Energy: 0.5821905795318479
Energy: 0.5616393021259745
Energy: 0.5709978982276241
Energy: 0.6806436894832617
Energy: 0.5728050242543523
Energy: 0.5698675303535443
Energy: 0.6819956412628043
Energy: 0.566553806206532
Energy: 0.6284228454791922
Energy: 0.6785596875037193
Energy: 0.5601197646923175
Energy: 0.5602692782918226
Energy: 0.6783205109759077
Energy: 0.5599286500881085
Energy: 0.5602439140453063
Energy: 0.662118314182191
Energy: 0.5578880807497488
Energy: 0.5572343272284943
Energy: 0.5573262383469978
Energy: 0.6579376288618868
Energy: 0.5574781312288853
Energy: 0.6812153725681573
Energy: 0.6575169282244482
Energy: 0.6136304667570994
Energy: 0.559530503553749
Energy: 0.6613266325984092
Energy: 0.5631642224727091
Energy: 0.6926462284034868
Energy: 0.6387721756938622
Energy: 0.636231647607984
Energy: 0.5594540580152855
Energy: 0.6377427847486521
Energy: 0.5664802775842603
Energy: 0.6581752319377265
Energy: 0.5610052404999218
Energy: 0.5606320006512322
Energy: 0.659769179914055
Energy: 0.6196980633999948
Energy: 0.6576904900442295
Energy: 0.6572083814178289
Energy: 0.5589610388126366
Energy: 0.5580687791134435
Energy: 0.6580437040614344
Energy: 0.5585401044332003
Energy: 0.5574866400097919
Energy: 0.6909919593271893
Energy: 0.6268631751085323
Energy: 0.5652639485083865
Energy: 0.565424098842835
Energy: 0.6785208801018833
Energy: 0.5652249259376779
Energy: 0.6591135632471016
Energy: 0.6781802779632464
Energy: 0.5693751361849929
Energy: 0.5595868581302137
Energy: 0.6840038384117161
Energy: 0.5701046646978334
Energy: 0.6598354360948931
Energy: 0.5695626738156135
Energy: 0.5696268393872842
Energy: 0.6454979649681194
Energy: 0.5699920991307489
Energy: 0.5699518451468045
Energy: 0.7223729426503
Energy: 0.5747598450724003
Energy: 0.5749956089437307
Energy: 0.7233319747265302
Energy: 0.5801644090589861
Energy: 0.6034892533635011
Energy: 0.8117821045920527
Energy: 0.5821680866577457
Energy: 0.5826190134265986
Energy: 0.6028793678097807
Energy: 0.5745900950730307
Energy: 0.6009774190837159
Energy: 0.8193226828744715
Energy: 0.6035191516184941
Energy: 0.601778172525724
Energy: 0.6029835559558936
Energy: 0.60147390582428
Energy: 0.6013284323806126
Energy: 0.6584823311873914
Energy: 0.6499492554549281
Energy: 0.5999655089476281
Energy: 0.5745582089858079
Energy: 0.6496920513431823
Energy: 0.6004755588876737
Energy: 0.7332648860302652
Energy: 0.6724371084362433
Energy: 0.6498621378727868
Energy: 0.6829062755550267
Energy: 0.6703462320318176
Energy: 0.6441639853241595
Energy: 0.8860599456229656
Energy: 0.604343271549511
Energy: 0.5971857707509647
Energy: 0.6062134142011217
Energy: 0.613368430993837
Energy: 0.5974290825783676
Energy: 0.9410047373417436
Energy: 0.6049901300090166
Energy: 0.6083931936420722
Energy: 0.6738533616231217
Energy: 0.6044669891487363
Energy: 0.671790811378618
Energy: 0.953913194336798
Energy: 0.6624526883207232
Energy: 0.6626483563914287
Energy: 0.6612649585692516
Energy: 0.660794948930012
Energy: 0.6265663735235013
Energy: 0.6630686844525754
Energy: 0.6815443691077285
Energy: 0.6370620567534138
Energy: 0.5860546819435907
Energy: 0.6778645284216127
Energy: 0.6219502910636773

minimum gb energy = 0.5572343272284943 eV
minimum distance =  2.72221811043057 Angstroms
sigma value = 43


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

Energy: 0.5601905566669998
Energy: 0.624779557847032
Energy: 0.5869699249025008
Energy: 0.5020757732608448
Energy: 0.679880977242378
Energy: 0.5591782566398823
Energy: 0.7648456706040588
Energy: 0.4925766036351135
Energy: 0.4930349090107067
Energy: 0.5328307824147832
Energy: 0.492400906857483
Energy: 0.49343593961355553
Energy: 0.7910326129674096
Energy: 0.48479023502665325
Energy: 0.49593159120600083
Energy: 0.5233331030528272
Energy: 0.4844674760587319
Energy: 0.49559816359939923
Energy: 0.7021261005491561
Energy: 0.49571995415284914
Energy: 0.4957714390669544
Energy: 0.5106503324723972
Energy: 0.5735304331358276
Energy: 0.5127790516548214
Energy: 0.6308602281568929
Energy: 0.49236810665789
Energy: 0.4928117300264418
Energy: 0.49552690848024744
Energy: 0.49241146483063736
Energy: 0.49301922855516644
Energy: 0.5448693284075942
Energy: 0.4930640249927714
Energy: 0.487052128076805
Energy: 0.5263909688096569
Energy: 0.49321675236320983
Energy: 0.5095306166367107
Energy: 0.7024017718443412
Energy: 0.4924175836714801
Energy: 0.49695162864873177
Energy: 0.4773380079109054
Energy: 0.558873437727635
Energy: 0.4751444864193327
Energy: 0.7020690309736044
Energy: 0.46701140746983205
Energy: 0.47030586698208565
Energy: 0.5092139567366721
Energy: 0.466571375316411
Energy: 0.4701834927836947
Energy: 0.5904953991872163
Energy: 0.47008192863639897
Energy: 0.4748040864348761
Energy: 0.5886085657106725
Energy: 0.4779441539838704
Energy: 0.47538352280845325
Energy: 0.5725792927594694
Energy: 0.46639325014712096
Energy: 0.4664322181406859
Energy: 0.5868640661003556
Energy: 0.466496874004664
Energy: 0.4649038688013695
Energy: 0.5405740878929238
Energy: 0.4957727047864537
Energy: 0.46289271996851683
Energy: 0.46023921200516327
Energy: 0.5638733322635339
Energy: 0.46042891763684884
Energy: 0.5884700599141807
Energy: 0.5636895253930019
Energy: 0.5109219249497986
Energy: 0.46383431974648903
Energy: 0.5635321934572102
Energy: 0.4633433788123011
Energy: 0.588434100804946
Energy: 0.5081695789640227
Energy: 0.5121932536547696
Energy: 0.49864297179761097
Energy: 0.5083146896668318
Energy: 0.5128774793147334
Energy: 0.5490889841577133
Energy: 0.46168148319483004
Energy: 0.542801338292219
Energy: 0.550634990039027
Energy: 0.46502719042791163
Energy: 0.5432516844739296
Energy: 0.5487152971318955
Energy: 0.4603613952952902
Energy: 0.45990424893516574
Energy: 0.548426215666688
Energy: 0.4567701316522532
Energy: 0.4600506912307448
Energy: 0.5435728713687391
Energy: 0.5436349199736701
Energy: 0.45588660556387856
Energy: 0.4567501830193831
Energy: 0.5421303989341365
Energy: 0.4556190619321163
Energy: 0.5520591013201354
Energy: 0.5427898430465299
Energy: 0.5336771299187671
Energy: 0.45907076012380654
Energy: 0.5420129994602182
Energy: 0.4585895357012732
Energy: 0.5420550833569363
Energy: 0.5032989864036526
Energy: 0.4584227313156564
Energy: 0.5067775282070804
Energy: 0.5032155091659642
Energy: 0.45815933357145944
Energy: 0.541767130042596
Energy: 0.501481998281414
Energy: 0.5360040694213223
Energy: 0.5432769429973361
Energy: 0.5007876508194176
Energy: 0.5368150914370808
Energy: 0.5418856191423889
Energy: 0.5051860463557547
Energy: 0.4673223312196214
Energy: 0.46653048958585264
Energy: 0.5053684188975269
Energy: 0.4643009856890288
Energy: 0.5664436358693776
Energy: 0.5499102905275857
Energy: 0.5055060572684206
Energy: 0.4640780587804356
Energy: 0.5489103595103184
Energy: 0.46353494403127016
Energy: 0.5776871084574507
Energy: 0.5508044924633657
Energy: 0.45708600048261194
Energy: 0.4579633015884545
Energy: 0.5489390828554893
Energy: 0.45708452554253337
Energy: 0.5634461464277223
Energy: 0.4575046571635059
Energy: 0.4573820517449667
Energy: 0.5617657425356557
Energy: 0.4574347540726686
Energy: 0.45803505762963465
Energy: 0.5639611529942133
Energy: 0.46953955108221307
Energy: 0.5565940281501852
Energy: 0.5653197091975449
Energy: 0.47257373859365065
Energy: 0.5089319105686421
Energy: 0.6292974739761844
Energy: 0.514951901389634
Energy: 0.5256777174992849
Energy: 0.5263859109714571
Energy: 0.4900944125951696
Energy: 0.5256543588410408
Energy: 0.6295668732574449
Energy: 0.5893596579873847
Energy: 0.4751998270817209
Energy: 0.46266302247472046
Energy: 0.5884151499953707
Energy: 0.4619602318692836
Energy: 0.5430063387325849
Energy: 0.4748160302079522
Energy: 0.47492643629216985
Energy: 0.467277333116062
Energy: 0.5883394998559189
Energy: 0.4684736982774704
Energy: 0.5912877969021446
Energy: 0.47439930988677864
Energy: 0.4747063188641009
Energy: 0.5388854032772777
Energy: 0.4743878239259989
Energy: 0.4750117310062978
Energy: 0.6292473647206002
Energy: 0.482350479390144
Energy: 0.4928009626594597
Energy: 0.5589358487918857
Energy: 0.4829152240954447
Energy: 0.4927668691904437
Energy: 0.7621647819896277
Energy: 0.47612479282691406
Energy: 0.48312566229956827
Energy: 0.49386004149184487
Energy: 0.47560927427470745
Energy: 0.48314631609419134
Energy: 0.7594832380370076
Energy: 0.4955527885861558
Energy: 0.49876805951068615
Energy: 0.4960914122628299
Energy: 0.4955373945635876
Energy: 0.4955365869945633
Energy: 0.5515518454088955
Energy: 0.5243325178787951
Energy: 0.5044247640176885
Energy: 0.5116133179102001
Energy: 0.5236686274826883
Energy: 0.49160579797253523
Energy: 0.7016842007529849
Energy: 0.5335554489329561
Energy: 0.5235874670255463
Energy: 0.5738763086662352
Energy: 0.534310130612118
Energy: 0.5242619841850895
Energy: 0.7611624825500122
Energy: 0.5164569886296884
Energy: 0.5163749145469226
Energy: 0.49267573158596817
Energy: 0.5466076997262062
Energy: 0.5404406112348329
Energy: 0.7909913372619198
Energy: 0.49995482408745406
Energy: 0.5174327183895923
Energy: 0.5517120147869152
Energy: 0.5011515189981042
Energy: 0.5173856697774969
Energy: 0.7648456734523946
Energy: 0.5338191332656635
Energy: 0.5237445975709036
Energy: 0.5332571411042051
Energy: 0.5336632844768303
Energy: 0.49363670046750524

minimum gb energy = 0.4556190619321163 eV
minimum distance =  2.73760500685202 Angstroms
sigma value = 81


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

Energy: 0.01721360914007965
Energy: 0.05364241877684777
Energy: 0.01743972688261081
Energy: 0.019195692874121584
Energy: 0.01772132122255883
Energy: 0.017727514192911444
Energy: 0.05469422739901034
Energy: 0.017796393378575043
Energy: 0.017817877084426455
Energy: 0.05276022388092702
Energy: 0.017991397800046993
Energy: 0.017857127501688923
Energy: 0.05270294701307543
Energy: 0.01784515260181103
Energy: 0.017611125101098687
Energy: 0.05271153873357614
Energy: 0.017698354435127513
Energy: 0.053651138621374786
Energy: 0.018669010011543315
Energy: 0.017924188399091028
Energy: 0.01763268513579748
Energy: 0.0178741546627889
Energy: 0.01777496194802742
Energy: 0.05417214854861334
Energy: 0.053670204768458366
Energy: 0.052859930156852045
Energy: 0.052889654169595623
Energy: 0.05462373902019415
Energy: 0.05282450993086208
Energy: 0.05290084014720106
Energy: 0.018382189601459573
Energy: 0.017812652408320334
Energy: 0.017583298884966254
Energy: 0.019615566633439514
Energy: 0.017788984596821475
Energy: 0.017820553454438868
Energy: 0.05286612822394974
Energy: 0.017688184524592386
Energy: 0.017828979280124658
Energy: 0.052851550062163744
Energy: 0.01803503494042816
Energy: 0.017924200119148123
Energy: 0.052649856314477356
Energy: 0.017644554897629176
Energy: 0.01776998008045444
Energy: 0.052724839818759556
Energy: 0.01756069901107423
Energy: 0.05463522981795512
Energy: 0.018294824239279302
Energy: 0.017689892573255872
Energy: 0.05383175874195547
Energy: 0.019160679683482198
Energy: 0.01773584120208817
Energy: 0.05339471739418034
Energy: 0.017741421795566693
Energy: 0.05275715535318782
Energy: 0.05273014197864314
Energy: 0.017406039248973326
Energy: 0.052769589384305406
Energy: 0.05269270978248888

minimum gb energy = 0.01721360914007965 eV
minimum distance =  2.87190608819573 Angstroms
sigma value = 3


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

Energy: 0.5763117765993923
Energy: 0.5952081252631393
Energy: 0.5679071198951109
Energy: 0.5372037919381746
Energy: 0.5702294113438019
Energy: 0.5344373243827109
Energy: 0.593124845349168
Energy: 0.5748238700416813
Energy: 0.5762616569965215
Energy: 0.5800274504923788
Energy: 0.5790610166046504
Energy: 0.5756478874245884
Energy: 0.6031525385585529
Energy: 0.5467535376053217
Energy: 0.5470733917402695
Energy: 0.580383018203772
Energy: 0.5475584956139934
Energy: 0.5655724267486075
Energy: 0.5806315834101009
Energy: 0.5471652450625129
Energy: 0.5476977785241033
Energy: 0.5743933878997761
Energy: 0.5466835713231306
Energy: 0.5655475492321785
Energy: 0.552773806639122
Energy: 0.577205766406827
Energy: 0.5767000415323619
Energy: 0.5526214999161985
Energy: 0.5764863984891146
Energy: 0.5762746442504988
Energy: 0.547824249211428
Energy: 0.5773398569738044
Energy: 0.5621160287009882
Energy: 0.49679595894036754
Energy: 0.5770838208349636
Energy: 0.5358969163441385
Energy: 0.5799282416308442
Energy: 0.5644937903813725
Energy: 0.5663516258108735
Energy: 0.5740900980631191
Energy: 0.5675406037288936
Energy: 0.5765150571476582
Energy: 0.5805029230325348
Energy: 0.548139271562453
Energy: 0.5485607900002838
Energy: 0.5752642349238923
Energy: 0.5239626153058982
Energy: 0.5493045023092342
Energy: 0.581543258443827
Energy: 0.5493844843783215
Energy: 0.5692978817790617
Energy: 0.5807205732355071
Energy: 0.5636568971327907
Energy: 0.5702160225308345
Energy: 0.574646130341899
Energy: 0.5439152811403116
Energy: 0.5503113842036719
Energy: 0.5743502624983996
Energy: 0.5448002138585907
Energy: 0.5601247182597404
Energy: 0.5533733674633682
Energy: 0.5578539641926074
Energy: 0.5588209130674772
Energy: 0.48879803960537416
Energy: 0.5632199415933253
Energy: 0.5348547334440744
Energy: 0.514841352801961
Energy: 0.5644936273223162
Energy: 0.5590857378239871
Energy: 0.5148765564258906
Energy: 0.5622013150871331
Energy: 0.5146703029638515
Energy: 0.5159663505735661
Energy: 0.5251461789418793
Energy: 0.542892627682032
Energy: 0.5159307115296621
Energy: 0.47794027843748094
Energy: 0.5436162323840741
Energy: 0.5513749576118248
Energy: 0.5651604428435661
Energy: 0.5432074653082722
Energy: 0.5286221672669067
Energy: 0.5199251713889231
Energy: 0.5463101189090158
Energy: 0.5508027942003619
Energy: 0.4931189947879404
Energy: 0.4927761905244367
Energy: 0.5507290479432158
Energy: 0.4940026698187998
Energy: 0.49366657773777667
Energy: 0.5504278085080173
Energy: 0.5307110083071617
Energy: 0.5313665282129836
Energy: 0.5323950374017946
Energy: 0.5451267410990454
Energy: 0.5313578580696366
Energy: 0.4826759617997717
Energy: 0.5359459072658962
Energy: 0.5347587731910834
Energy: 0.4826481215613542
Energy: 0.5312941451077142
Energy: 0.48234836797426456
Energy: 0.4832061044464686
Energy: 0.5284851774512367
Energy: 0.5288722408494542
Energy: 0.48327868987323613
Energy: 0.483323285287692
Energy: 0.5290780705710025
Energy: 0.5433094964214218
Energy: 0.5447784548346075
Energy: 0.5282552653914783
Energy: 0.48515447033083897
Energy: 0.5460319185159048
Energy: 0.5286846138074679
Energy: 0.5486039731938909
Energy: 0.48199349109969336
Energy: 0.4818124592759234
Energy: 0.5445630700998426
Energy: 0.48277016533668254
Energy: 0.48248027722064046
Energy: 0.54770367435247
Energy: 0.5311325296064595
Energy: 0.5358098847285074
Energy: 0.5460019372187488
Energy: 0.5519066055371463
Energy: 0.5342493675186107
Energy: 0.49396640211148124
Energy: 0.5307216247112754
Energy: 0.535257610532067
Energy: 0.4936499650968868
Energy: 0.5322752508685017
Energy: 0.49327763803453073
Energy: 0.49447218723263
Energy: 0.5441094345995658
Energy: 0.5439318083996408
Energy: 0.4944044944441695
Energy: 0.543932326765877
Energy: 0.5434990597455769
Energy: 0.5520748624846443
Energy: 0.5158813047696538
Energy: 0.542856341548585
Energy: 0.5180033936953089
Energy: 0.5145179862969461
Energy: 0.5329867397505156
Energy: 0.5682514111904691
Energy: 0.5144863949659888
Energy: 0.5141159809908427
Energy: 0.5689187028213549
Energy: 0.515108148872082
Energy: 0.515158716678842
Energy: 0.5671252798437817
Energy: 0.5451302995973959
Energy: 0.5454816938914144
Energy: 0.5642992469082715
Energy: 0.5236944518977498
Energy: 0.5593595012469451
Energy: 0.5454166522282704
Energy: 0.5449507478543076
Energy: 0.5453177649387257
Energy: 0.5449153128240166
Energy: 0.566377171097434
Energy: 0.549806250757059
Energy: 0.5242816640553988
Energy: 0.5781248278009403
Energy: 0.5779832145616339
Energy: 0.5244937762174074
Energy: 0.5794104712266851
Energy: 0.5779649720344197
Energy: 0.5533421464776471
Energy: 0.5730905949154885
Energy: 0.5642923363341129
Energy: 0.49079981628847547
Energy: 0.5735853047022982
Energy: 0.5361162561924595
Energy: 0.5668702660407359
Energy: 0.57277370292594
Energy: 0.5771443105875901
Energy: 0.5664115695500219
Energy: 0.5751220654543027
Energy: 0.5763481888818207
Energy: 0.5752791904899193
Energy: 0.5498464802965779
Energy: 0.5499573521340079
Energy: 0.5749855575119847
Energy: 0.5228832714560451
Energy: 0.5503660776728166
Energy: 0.6046820549001085
Energy: 0.551417625948639
Energy: 0.5780946828385645
Energy: 0.57893005743816
Energy: 0.5292347379333073
Energy: 0.5765173440679195
Energy: 0.5428475241996715
Energy: 0.5721074599835444
Energy: 0.6103057196131748
Energy: 0.5428981520676474
Energy: 0.5751216528134271
Energy: 0.6387692771270814

minimum gb energy = 0.47794027843748094 eV
minimum distance =  2.56959402514335 Angstroms
sigma value = 67


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

Energy: 0.7145206569439061
Energy: 0.7097199610078548
Energy: 0.697803536733149
Energy: 0.6465161604182458
Energy: 0.703895999443324
Energy: 0.696682529726653
Energy: 0.7168166351580592
Energy: 0.6947891720915381
Energy: 0.6938173653399515
Energy: 0.7041443759280134
Energy: 0.7019354588297967
Energy: 0.6974151246515732
Energy: 0.7428405433579134
Energy: 0.679310349517781
Energy: 0.6848528612831638
Energy: 0.6976365551565735
Energy: 0.680080351956659
Energy: 0.6846932862552668
Energy: 0.7142908120462995
Energy: 0.6852854207937279
Energy: 0.6852786138942151
Energy: 0.7029634438748434
Energy: 0.6883524895742563
Energy: 0.6854048853744386
Energy: 0.712102772392026
Energy: 0.70411995259057
Energy: 0.6925334459840474
Energy: 0.7033614777627694
Energy: 0.7010289986593609
Energy: 0.6949460194462878
Energy: 0.6754950073049375
Energy: 0.6919768730791022
Energy: 0.6867646139916129
Energy: 0.6628834375106882
Energy: 0.6902284595248069
Energy: 0.6868756079370409
Energy: 0.7014710198184135
Energy: 0.7063469718780042
Energy: 0.6936175721064842
Energy: 0.6955099894817844
Energy: 0.7037085840255595
Energy: 0.6955959034271448
Energy: 0.7025971271455
Energy: 0.676009483333993
Energy: 0.6759140001297314
Energy: 0.6927218682606249
Energy: 0.6423798195466619
Energy: 0.6945211667760662
Energy: 0.6966242675732384
Energy: 0.6946174432973284
Energy: 0.6944553782462857
Energy: 0.6973396082913504
Energy: 0.6948569967547682
Energy: 0.7017103424161433
Energy: 0.6963300193366116
Energy: 0.6712340158909591
Energy: 0.6727143077300611
Energy: 0.6963247870149621
Energy: 0.6695120756359871
Energy: 0.6725927318796079
Energy: 0.6897108674339633
Energy: 0.6828117106883986
Energy: 0.6824583328291366
Energy: 0.6452801448010018
Energy: 0.6852722568585381
Energy: 0.6822290107058648
Energy: 0.6431085526542895
Energy: 0.685110726155705
Energy: 0.683806028728951
Energy: 0.6433411078365379
Energy: 0.6709324508372068
Energy: 0.644218130830862
Energy: 0.6436903906555261
Energy: 0.6745915901449764
Energy: 0.6774037572896907
Energy: 0.6436419578924519
Energy: 0.6471463216986931
Energy: 0.6610029294962576
Energy: 0.6828135478495523
Energy: 0.6746394453462392
Energy: 0.6770952540682807
Energy: 0.6457385546549727
Energy: 0.6848399024928252
Energy: 0.6768544806083049
Energy: 0.6840552995744417
Energy: 0.6476209636015934
Energy: 0.6432169351518017
Energy: 0.6847535618572291
Energy: 0.6454376880381628
Energy: 0.6436113367271953
Energy: 0.6844689463149136
Energy: 0.6825061330659763
Energy: 0.6840799841726983
Energy: 0.6846614373249397
Energy: 0.6930443672495653
Energy: 0.6829260097789503
Energy: 0.6670173887039548
Energy: 0.6723665332730456
Energy: 0.6752679159066699
Energy: 0.6670893462741918
Energy: 0.6394105056323074
Energy: 0.6715386370360684
Energy: 0.6648301978713702
Energy: 0.7015681664501912
Energy: 0.7028262558935421
Energy: 0.6649661216281857
Energy: 0.7002532672764358
Energy: 0.6946552640208414
Energy: 0.6754204421730593
Energy: 0.692160948445828
Energy: 0.6862973450962535
Energy: 0.6499528925629928
Energy: 0.6914684214757096
Energy: 0.685959614814581
Energy: 0.6980756200183905
Energy: 0.7000171788534642
Energy: 0.6999500040872154
Energy: 0.6988473449094372
Energy: 0.6973557930746467
Energy: 0.6979826849504913
Energy: 0.7025547084270921
Energy: 0.6962386075014857
Energy: 0.6960468691546233
Energy: 0.7026794671170671
Energy: 0.6796126253827213
Energy: 0.6972585000080876
Energy: 0.7426835845727584
Energy: 0.6778695879171508
Energy: 0.6959153380869816
Energy: 0.6977633092662622
Energy: 0.6789323734585982
Energy: 0.6970669213914089
Energy: 0.7166631851888524
Energy: 0.7069316429342023
Energy: 0.6973754852968566
Energy: 0.7015233921786118
Energy: 0.7033674594261153
Energy: 0.6970776327610413

minimum gb energy = 0.6394105056323074 eV
minimum distance =  2.66992338706013 Angstroms
sigma value = 33


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

Energy: 0.840810750129987
Energy: 0.8294349117155962
Energy: 0.8270430665575966
Energy: 0.7956361538185863
Energy: 0.8363500253533358
Energy: 0.8013496138769839
Energy: 0.8405555089129151
Energy: 0.8058602672555216
Energy: 0.8045976111763747
Energy: 0.8143061995128046
Energy: 0.8092863939214087
Energy: 0.8037110802731979
Energy: 0.8800202979157875
Energy: 0.7944797683903734
Energy: 0.7920676887195549
Energy: 0.8090975579758225
Energy: 0.7920868187409018
Energy: 0.7944809883769579
Energy: 0.829139396299271
Energy: 0.7918818852271188
Energy: 0.7914240776045026
Energy: 0.810005466422636
Energy: 0.7930808722339464
Energy: 0.7923809034141626
Energy: 0.8379214164146381
Energy: 0.8060418452434174
Energy: 0.804440234940989
Energy: 0.8139735069170627
Energy: 0.8083507310917807
Energy: 0.8034882730735055
Energy: 0.790815845588797
Energy: 0.8066598979063798
Energy: 0.8089555812579706
Energy: 0.7678711652528519
Energy: 0.8051795563278937
Energy: 0.7923425908906686
Energy: 0.8199388920422113
Energy: 0.8044065267559383
Energy: 0.8034953997989469
Energy: 0.7977621649722846
Energy: 0.8074807401586149
Energy: 0.8000791535457111
Energy: 0.8205528530424624
Energy: 0.781636727070413
Energy: 0.8015934642623007
Energy: 0.7983046112914509
Energy: 0.7783780998738637
Energy: 0.8010236354169902
Energy: 0.7969501272733386
Energy: 0.8000178209389752
Energy: 0.799999444533732
Energy: 0.8013054572502448
Energy: 0.8066289904678184
Energy: 0.8049290804326813
Energy: 0.7976185868209431
Energy: 0.7770148700452619
Energy: 0.7826437880499844
Energy: 0.7979799768552809
Energy: 0.7795006595712691
Energy: 0.7808262755864357
Energy: 0.7957812724415794
Energy: 0.7914787450244746
Energy: 0.7926695206303843
Energy: 0.7850912327896358
Energy: 0.7990185691798608
Energy: 0.7926024668746531
Energy: 0.7783775460990469
Energy: 0.7814612895721234
Energy: 0.7928079269628128
Energy: 0.7786736021625138
Energy: 0.7940999221277896
Energy: 0.7821431102484498
Energy: 0.7783510481775755
Energy: 0.8003705591305061
Energy: 0.8057702234691305
Energy: 0.7785953242923908
Energy: 0.803839230540531
Energy: 0.7810810571957011
Energy: 0.7951321905291225
Energy: 0.8009308669215707
Energy: 0.7998010093022022
Energy: 0.7636599921894858
Energy: 0.796088206447375
Energy: 0.7866743931731337
Energy: 0.8017462741817177
Energy: 0.7958014980138693
Energy: 0.7991261099055804
Energy: 0.8016482785053727
Energy: 0.7995037449490712
Energy: 0.8062609129004252
Energy: 0.8154619472992879
Energy: 0.796439091073882
Energy: 0.797666638723604
Energy: 0.8129377349251119
Energy: 0.8001910587381598
Energy: 0.8128823582939946
Energy: 0.8796181834584355
Energy: 0.7874924761873444
Energy: 0.7973472511532316
Energy: 0.8087652660569911
Energy: 0.7901491818923813
Energy: 0.7993444489964464
Energy: 0.883394294498638
Energy: 0.8123554889627757
Energy: 0.8109814217067693
Energy: 0.8071043535345072
Energy: 0.8165115423345428
Energy: 0.8297626375948687
Energy: 0.7784504230210559
Energy: 0.8083212488557012
Energy: 0.7982429077469096
Energy: 0.7745000662606317
Energy: 0.8078958030478942
Energy: 0.7881649078575035
Energy: 0.8400646815817192
Energy: 0.8060918977221627
Energy: 0.8036524829778844
Energy: 0.8007433585467094
Energy: 0.810042213580611
Energy: 0.8037334171472752
Energy: 0.8814403378807388
Energy: 0.7953334700670134
Energy: 0.7928760077837292
Energy: 0.8090552000878206
Energy: 0.8007303609478683
Energy: 0.7934649959981366
Energy: 0.829054494968406
Energy: 0.7952525820244338
Energy: 0.7919144633180849
Energy: 0.8092591329120673
Energy: 0.7934617790634243
Energy: 0.7937676431235152
Energy: 0.8384798631938407
Energy: 0.8056655328149586
Energy: 0.8040067942598935
Energy: 0.814114366263733
Energy: 0.8077579847733793
Energy: 0.8035551742427969
Energy: 0.787671605206975
Energy: 0.806440333488031
Energy: 0.8077650544603909
Energy: 0.7718500822583102
Energy: 0.8056596175598945
Energy: 0.7899080046163107
Energy: 0.8197200484820195
Energy: 0.8049907873224331
Energy: 0.8030033680632759
Energy: 0.7968420270599632
Energy: 0.8052080274989004
Energy: 0.8176698255297166
Energy: 0.8200873230993059
Energy: 0.7834991176713587
Energy: 0.8019561821320331
Energy: 0.7986057030155354
Energy: 0.785671616103928
Energy: 0.8015441264143917
Energy: 0.7955612339926408
Energy: 0.8021124782011545
Energy: 0.8005187353165828
Energy: 0.7975358367077378
Energy: 0.80876895288863
Energy: 0.8046591772157411
Energy: 0.7975306892781036
Energy: 0.7772919617137424
Energy: 0.7819609423008059
Energy: 0.7982834115464603
Energy: 0.779418262457262
Energy: 0.7808978362796068
Energy: 0.7960488048610491
Energy: 0.80349644642979
Energy: 0.7929483713331199
Energy: 0.7775947256943779
Energy: 0.7978778338282492
Energy: 0.7929595859340535
Energy: 0.7773812439866109
Energy: 0.7823213029296902
Energy: 0.7916968818039327
Energy: 0.7772916475053621
Energy: 0.7933626077583062
Energy: 0.7910426615187897
Energy: 0.7787158180944391
Energy: 0.8022399502874555
Energy: 0.7939583830430708
Energy: 0.7788307435228417
Energy: 0.8027735438324746
Energy: 0.7814932285049508
Energy: 0.7954269914474121
Energy: 0.8014968567671952
Energy: 0.8001387988819211
Energy: 0.7592515798787781
Energy: 0.798276178433305
Energy: 0.7858731674673732
Energy: 0.7962226145731385
Energy: 0.7967612362608013
Energy: 0.7996460941285914
Energy: 0.7989321468256346
Energy: 0.7993008175325405
Energy: 0.8056759811502741
Energy: 0.8156632423699389
Energy: 0.7968183344498614
Energy: 0.8125587562491693
Energy: 0.817333519764884
Energy: 0.7994471736596049
Energy: 0.8118478004930666
Energy: 0.8805890983354292
Energy: 0.7873024500007839
Energy: 0.7990278201641348
Energy: 0.8080821828517883
Energy: 0.7530284974992054
Energy: 0.7987786851319554
Energy: 0.8829669922123727
Energy: 0.8118990326185914
Energy: 0.8113872525729937
Energy: 0.8084733424020999
Energy: 0.8156302311835126
Energy: 0.8105061387411876
Energy: 0.7784541442062158
Energy: 0.8078233880652521
Energy: 0.7990331905659033
Energy: 0.7791752669250612
Energy: 0.8102150231107343
Energy: 0.7891849230351374

minimum gb energy = 0.7530284974992054 eV
minimum distance =  2.6868898035582 Angstroms
sigma value = 41


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

Energy: 0.9962297924772483
Energy: 1.0157513532347107
Energy: 1.019909474757861
Energy: 0.9662038885532419
Energy: 1.036836458816373
Energy: 1.0251084176375627
Energy: 0.9986357715424816
Energy: 0.9754978906849063
Energy: 0.9769973959244359
Energy: 0.9904809219377874
Energy: 0.9748843954917082
Energy: 0.9599806650528481
Energy: 1.0734148201822606
Energy: 0.9512998187558622
Energy: 0.9504102102801085
Energy: 0.9751541398115992
Energy: 0.9527439175414477
Energy: 0.9665307469497316
Energy: 0.9983522679653197
Energy: 0.950535916796098
Energy: 0.951030358377442
Energy: 0.9741080676791295
Energy: 0.9521694328064662
Energy: 0.9571885431249071
Energy: 0.9885018683720957
Energy: 0.973895407295167
Energy: 0.9757703733455592
Energy: 0.9899972275443009
Energy: 0.9739687362366249
Energy: 0.960443571862203
Energy: 0.955845032775784
Energy: 0.9736035328387775
Energy: 0.9581084527111523
Energy: 0.9509997064221432
Energy: 0.9677282707674011
Energy: 0.9579567460571664
Energy: 0.9825872826836863
Energy: 0.982717175940337
Energy: 0.9817044054754896
Energy: 0.9612225276345746
Energy: 0.9815556716911209
Energy: 0.9576279242830079
Energy: 0.9838616388119755
Energy: 0.9605844582255305
Energy: 0.9589024678263212
Energy: 0.9608246888806246
Energy: 0.9593145537069919
Energy: 0.9605206716239564
Energy: 0.9466774552826593
Energy: 0.9597513078054747
Energy: 0.9596523007034174
Energy: 0.9492830212508818
Energy: 0.9799772868216102
Energy: 0.9574213204779511
Energy: 0.9669655311920998
Energy: 0.9607769544563431
Energy: 0.9582283257953376
Energy: 0.9580405983497775
Energy: 0.9619183647075503
Energy: 0.9575441784624757
Energy: 0.969226536414474
Energy: 0.9739299191202512
Energy: 0.9864263562194817
Energy: 0.9723756548429305
Energy: 0.9773753362317101
Energy: 0.9759593865087947
Energy: 1.073257158575796
Energy: 0.9540182899844009
Energy: 0.953453173507957
Energy: 0.974042081828644
Energy: 0.9565688845025969
Energy: 0.9544667753598989
Energy: 1.0751682337644206
Energy: 0.9801823726564869
Energy: 0.9726933103597689
Energy: 0.9763683592604463
Energy: 0.9797752434184902
Energy: 0.9600548716205431
Energy: 0.9577561614254864
Energy: 0.9742964848375378
Energy: 0.9540748500916936
Energy: 0.9493169516157267
Energy: 0.9726214560909257
Energy: 0.9533767857140639

minimum gb energy = 0.9466774552826593 eV
minimum distance =  2.68249313527934 Angstroms
sigma value = 11


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

Energy: 1.1616102007119662
Energy: 1.1686480118767308
Energy: 1.1807600685273978
Energy: 1.1541430016763747
Energy: 1.123294178195146
Energy: 1.1703696442741753
Energy: 1.2349902538505115
Energy: 1.123013383151996
Energy: 1.1099829780216475
Energy: 1.1009051948480681
Energy: 1.1019348643676115
Energy: 1.1031101590094283
Energy: 1.275695737763812
Energy: 1.0854874705810764
Energy: 1.0846829539679872
Energy: 1.089248502623802
Energy: 1.0860853081451176
Energy: 1.1097960739584647
Energy: 1.1117956674141627
Energy: 1.0851704835819866
Energy: 1.1042931195102341
Energy: 1.1008808529774141
Energy: 1.0851378687777635
Energy: 1.0895772152468035
Energy: 1.1167700146025303
Energy: 1.0931328261989957
Energy: 1.094167339721301
Energy: 1.1005733042594854
Energy: 1.0925950879510464
Energy: 1.0933985613767527
Energy: 1.111808752478769
Energy: 1.0829533820214117
Energy: 1.0823417443572458
Energy: 1.094083469551079
Energy: 1.0834524742390315
Energy: 1.0827815359125479
Energy: 1.1219858763846817
Energy: 1.0832176855280253
Energy: 1.0827854810444981
Energy: 1.0935134883397324
Energy: 1.0796296869907906
Energy: 1.0823472538750596
Energy: 1.167792248002069
Energy: 1.0932904084135207
Energy: 1.0922147977051644
Energy: 1.093104336740035
Energy: 1.094189225251269
Energy: 1.0935454279716135
Energy: 1.1023028401869972
Energy: 1.0894881256700184
Energy: 1.0888486580677605
Energy: 1.0797115490964235
Energy: 1.0894661800708838
Energy: 1.090306369496509
Energy: 1.1022770758730616
Energy: 1.0894079125642748
Energy: 1.088744271586638
Energy: 1.0791017619937207
Energy: 1.0897051833830276
Energy: 1.0900957178602533
Energy: 1.1523551826017329
Energy: 1.1092388550171126
Energy: 1.1078195045980042
Energy: 1.1222149420710523
Energy: 1.115812450387852
Energy: 1.1107663662425729
Energy: 1.120208886583387
Energy: 1.0850216694434427
Energy: 1.0852385218582947
Energy: 1.129167851485
Energy: 1.0790764087786775
Energy: 1.0916196294439509
Energy: 1.1260361417074782
Energy: 1.0883255186385499
Energy: 1.0880425441868053
Energy: 1.1273397328652857
Energy: 1.0895135050672116
Energy: 1.0887847495815077
Energy: 1.1069061566413858
Energy: 1.1027153941510517
Energy: 1.089565791348063
Energy: 1.0858363408439444
Energy: 1.1036473270129474
Energy: 1.0892499449370123
Energy: 1.1262538768783479
Energy: 1.0894124884553034
Energy: 1.0886483838068144
Energy: 1.1272032711300486
Energy: 1.0889399800173072
Energy: 1.0894784684566525
Energy: 1.1486364016554667
Energy: 1.089523239227713
Energy: 1.0891155654340392
Energy: 1.089080682544874
Energy: 1.0888216382115232
Energy: 1.0901006593734774
Energy: 1.1182474647516878
Energy: 1.088668077429523
Energy: 1.0883180229106648
Energy: 1.0736601133508832
Energy: 1.0888482687341237
Energy: 1.0891557394115134
Energy: 1.1000957984629385
Energy: 1.1315965102914476
Energy: 1.1122969154707039
Energy: 1.0905513271975513
Energy: 1.1149882083976124
Energy: 1.080463617709294
Energy: 1.1116116522888586
Energy: 1.0886941964587449
Energy: 1.0891418834611453
Energy: 1.0934993641712787
Energy: 1.08904660850164
Energy: 1.0886531652337157
Energy: 1.108373852500249
Energy: 1.0871868768830393
Energy: 1.0863956586916854
Energy: 1.108875328240978
Energy: 1.0875248890894749
Energy: 1.1168929846166233
Energy: 1.2062790743227167
Energy: 1.0864017444874299
Energy: 1.1050668896192788
Energy: 1.1048003871543948
Energy: 1.0865088140081833
Energy: 1.1156339369736337
Energy: 1.150356695056086
Energy: 1.1026352824857317
Energy: 1.1046313882757053
Energy: 1.1191777953826187
Energy: 1.1020917231574567
Energy: 1.1042365795192612
Energy: 1.115967841160085
Energy: 1.1034556311211938
Energy: 1.1009113747046615
Energy: 1.0824936871975979
Energy: 1.1076499036259573
Energy: 1.0913680276176037
Energy: 1.2081879163244045
Energy: 1.1097117817661244
Energy: 1.088842207694376
Energy: 1.0881843321479217
Energy: 1.1213701135258398
Energy: 1.0886589824074466
Energy: 1.152824121177532
Energy: 1.0895842735740875
Energy: 1.0961712406962267
Energy: 1.1469044292789803
Energy: 1.0893539629475346
Energy: 1.0941747904054544
Energy: 1.1169497679462448
Energy: 1.0895051519412053
Energy: 1.0894868546827081
Energy: 1.0889999018117895
Energy: 1.0715264614368418
Energy: 1.0896400688365568
Energy: 1.1162887850685754
Energy: 1.0890816411680542
Energy: 1.0912405241332324
Energy: 1.0888525498937116
Energy: 1.0891338808864253
Energy: 1.0887844902056842
Energy: 1.1146900421807837
Energy: 1.089194523556913
Energy: 1.0905445744867333
Energy: 1.0890929631219033
Energy: 1.0994499429392908
Energy: 1.0887263292096192
Energy: 1.1163642558040996
Energy: 1.0836397790394057
Energy: 1.0830831176434093
Energy: 1.1322002175103765
Energy: 1.0872069777844025
Energy: 1.0827428564123167
Energy: 1.274560104906354
Energy: 1.1201256277942448
Energy: 1.0916449761736324
Energy: 1.0884870203957122
Energy: 1.1122530779564546
Energy: 1.0880065212931522
Energy: 1.1309166675691666
Energy: 1.1039413435467698
Energy: 1.107943504146454
Energy: 1.0833580418802162
Energy: 1.1255102998771986
Energy: 1.0892874849037169

minimum gb energy = 1.0715264614368418 eV
minimum distance =  2.66683150384555 Angstroms
sigma value = 57


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

Energy: 1.5667098597524682
Energy: 1.1925589088442108
Energy: 1.1933163157834679
Energy: 1.1943341139452335
Energy: 1.2112998049422552
Energy: 1.193359242744635
Energy: 1.2197735636985343
Energy: 1.1546283831406134
Energy: 1.1539246453822714
Energy: 1.1914457045767124
Energy: 1.1909095526246358
Energy: 1.1542720141216471
Energy: 1.2088614768216934
Energy: 1.1415518682298358
Energy: 1.1412009732309898
Energy: 1.1522861586560278
Energy: 1.1427962220063796
Energy: 1.15429425476478
Energy: 1.1818857462003731
Energy: 1.1536777985993396
Energy: 1.1548218532279617
Energy: 1.1802847527165357
Energy: 1.1442638851224973
Energy: 1.1541795673077573
Energy: 1.1904324238337938
Energy: 1.1549381978797955
Energy: 1.1531863062121517
Energy: 1.1541465695869806
Energy: 1.1527624849465745
Energy: 1.152525417660391
Energy: 1.1912831306220164
Energy: 1.1540974904222452
Energy: 1.1537535985636738
Energy: 1.1547698228591214
Energy: 1.1535887672103367
Energy: 1.1534773795044504
Energy: 1.206956174370907
Energy: 1.1410285450206206
Energy: 1.142073629057618
Energy: 1.2021981908931363
Energy: 1.141659309052263
Energy: 1.1536324001218172
Energy: 1.278758512233906
Energy: 1.1538726067074585
Energy: 1.1547759448491943
Energy: 1.1531378657938018
Energy: 1.1540071420874805
Energy: 1.1545387273868044
Energy: 1.2208517090193096
Energy: 1.1562721860782872
Energy: 1.1440297939881496
Energy: 1.1468433434376917
Energy: 1.1537954286094159
Energy: 1.1443609095242524
Energy: 1.2206978517723084
Energy: 1.1544421430015734
Energy: 1.143824395981719
Energy: 1.1467092987620149
Energy: 1.1535177911151062
Energy: 1.1442512700989558
Energy: 1.2904335259091968
Energy: 1.1536134746880564
Energy: 1.1529622065871357
Energy: 1.1906511026522557
Energy: 1.1544475959864229
Energy: 1.1538289953560352
Energy: 1.1823422046752585
Energy: 1.1413212736880713
Energy: 1.1409997837528842
Energy: 1.1523201520994766
Energy: 1.1424736008783263
Energy: 1.1547190501484423
Energy: 1.1898113665695704
Energy: 1.155351330559786
Energy: 1.1535449236153146
Energy: 1.1908761942572479
Energy: 1.1907155416456814
Energy: 1.1530868403067844
Energy: 1.1837872634109472
Energy: 1.1543789801332949
Energy: 1.1536204366292455
Energy: 1.154522614197911
Energy: 1.154214788149716
Energy: 1.153161612884633
Energy: 1.1982465829861735
Energy: 1.1411433873578736
Energy: 1.1524397494472187
Energy: 1.154292426782324
Energy: 1.1442217360422864
Energy: 1.1525083945127754
Energy: 1.2812082190990222
Energy: 1.1418046842110359
Energy: 1.1427529103286913
Energy: 1.1540640838562064
Energy: 1.1411220955578967
Energy: 1.152563027279433
Energy: 1.2202530705909833
Energy: 1.1539611381820902
Energy: 1.1542135361322468
Energy: 1.189050086707092
Energy: 1.1542098854883673
Energy: 1.1542526841649774

minimum gb energy = 1.1409997837528842 eV
minimum distance =  2.67164817784365 Angstroms
sigma value = 9


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

Energy: 1.3083137764932893
Energy: 1.2424614632678763
Energy: 1.2285975851481836
Energy: 1.2226013339484936
Energy: 1.2354171085762586
Energy: 1.2086895570275946
Energy: 1.3167792779662422
Energy: 1.1816464850312036
Energy: 1.1830581915529825
Energy: 1.1813110623254979
Energy: 1.1817113375860864
Energy: 1.1809336619611057
Energy: 1.2626669142431446
Energy: 1.1836740707395712
Energy: 1.1677901496208893
Energy: 1.2016230567151227
Energy: 1.1767010142469683
Energy: 1.1675327479462907
Energy: 1.1857867527939754
Energy: 1.169333484342573
Energy: 1.1683622303078933
Energy: 1.1729889677688552
Energy: 1.1723899784737577
Energy: 1.167986300158075
Energy: 1.174883818424831
Energy: 1.1634413279932256
Energy: 1.1641860608146224
Energy: 1.1815010767915985
Energy: 1.166509971936503
Energy: 1.1650086159382638
Energy: 1.1728437173206554
Energy: 1.1631313629961004
Energy: 1.1609378734471871
Energy: 1.1646148081479444
Energy: 1.1666511132114754
Energy: 1.1605479759999675
Energy: 1.174107792401625
Energy: 1.1595070909575014
Energy: 1.200172534047596
Energy: 1.1576547443372038
Energy: 1.162498520911996
Energy: 1.1817951456446405
Energy: 1.2770353013815072
Energy: 1.1617240988309439
Energy: 1.1629500469291973
Energy: 1.162765400076544
Energy: 1.1633308632570558
Energy: 1.1627747660640275
Energy: 1.2406018673067618
Energy: 1.1618510278021088
Energy: 1.1611428749921888
Energy: 1.168487171764285
Energy: 1.1632531847786232
Energy: 1.164976417135095
Energy: 1.2552864961924135
Energy: 1.1634242824310768
Energy: 1.1614370997601942
Energy: 1.1682933775725317
Energy: 1.1644461396449493
Energy: 1.1617494137255866
Energy: 1.280608715426688
Energy: 1.157764682701903
Energy: 1.1577587224050745
Energy: 1.163560197932507
Energy: 1.163174208603482
Energy: 1.1562446178989108
Energy: 1.2468919630396242
Energy: 1.1858619594655238
Energy: 1.1815551542137037
Energy: 1.1813610652215087
Energy: 1.1820773876458317
Energy: 1.1800133063676577
Energy: 1.245759409406748
Energy: 1.1845142020717772
Energy: 1.1691111032146873
Energy: 1.1605520306177595
Energy: 1.1790625766455691
Energy: 1.1598246216679733
Energy: 1.2885758986688958
Energy: 1.1686454345220012
Energy: 1.1673853511663315
Energy: 1.1574117485930577
Energy: 1.1711943621492737
Energy: 1.1677295108305896
Energy: 1.2473251049880527
Energy: 1.1598794985924759
Energy: 1.1595405850296179
Energy: 1.181575459114438
Energy: 1.1608823423602093
Energy: 1.1821395867435787
Energy: 1.2339179813463441
Energy: 1.1654534301098805
Energy: 1.159691948427432
Energy: 1.1650215681052658
Energy: 1.16609795401517
Energy: 1.1596877261534948
Energy: 1.2182481516369463
Energy: 1.1693093368686576
Energy: 1.168526996349359
Energy: 1.183928816487705
Energy: 1.1705318227452386
Energy: 1.1684913828692907
Energy: 1.2167911433862786
Energy: 1.1673818609726567
Energy: 1.2026959510952162
Energy: 1.1718405106462613
Energy: 1.1819968783007992
Energy: 1.2032008897208364
Energy: 1.2173862477424597
Energy: 1.168521406629759
Energy: 1.1682085190590625
Energy: 1.1830386822578345
Energy: 1.2059938052813641
Energy: 1.1679200501569218
Energy: 1.1914158237024894
Energy: 1.1677278843918253
Energy: 1.1670943407054286
Energy: 1.1839722739909655
Energy: 1.1880885804559658
Energy: 1.1671969928085288
Energy: 1.2441828727205684
Energy: 1.1819874326548045
Energy: 1.1827395079378904
Energy: 1.1614131830328107
Energy: 1.1821645963205458
Energy: 1.1842504574598698

minimum gb energy = 1.1562446178989108 eV
minimum distance =  2.63399731476864 Angstroms
sigma value = 27


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

Energy: 1.6265469955523666
Energy: 1.1707913437601847
Energy: 1.17068219238392
Energy: 1.1632501592412214
Energy: 1.1809091324920762
Energy: 1.1760784070325019
Energy: 1.2383616097349828
Energy: 1.1965045175632045
Energy: 1.1429943457648997
Energy: 1.158633237765904
Energy: 1.1919684046672612
Energy: 1.1553890364856376
Energy: 1.2156455648275137
Energy: 1.153742930355963
Energy: 1.1570499259552327
Energy: 1.1622748582267155
Energy: 1.1734678703449588
Energy: 1.1565698323133808
Energy: 1.2412266420490468
Energy: 1.158112227180815
Energy: 1.1569730264864992
Energy: 1.1594216699988735
Energy: 1.150800735140947
Energy: 1.1562427295468232
Energy: 1.1831002756390425
Energy: 1.1605427479218808
Energy: 1.1432189132506545
Energy: 1.1774118565005354
Energy: 1.1445689440634357
Energy: 1.1818277351708462
Energy: 1.2325690654063863
Energy: 1.1946227196828818
Energy: 1.1926394632563424
Energy: 1.152007721267535
Energy: 1.1513161914591943
Energy: 1.1916140611264543
Energy: 1.207102319661862
Energy: 1.1622091893042017
Energy: 1.161668385057442
Energy: 1.1595234238788932
Energy: 1.1625489221161078
Energy: 1.16313948157513
Energy: 1.2445617729396885
Energy: 1.161856422500697
Energy: 1.1966398275493062
Energy: 1.1819175165091726
Energy: 1.1679555955809737
Energy: 1.1954955594503116
Energy: 1.2794407469350546
Energy: 1.1519175560948758
Energy: 1.1572079874311647
Energy: 1.1524371914495857
Energy: 1.1657946330063365
Energy: 1.1566561794844543
Energy: 1.2792028618410225
Energy: 1.1446140140099432
Energy: 1.1519013228004369
Energy: 1.152498916263161
Energy: 1.1514093246175066
Energy: 1.1511280445525154
Energy: 1.2445137794211447
Energy: 1.177923523048395
Energy: 1.184072243301561
Energy: 1.1533299886686157
Energy: 1.1684238275407852
Energy: 1.152229325179028
Energy: 1.1527238334152217
Energy: 1.143277428539366
Energy: 1.1424894747288714
Energy: 1.151589435597013
Energy: 1.1428101174693148
Energy: 1.1422767797301847
Energy: 1.1492557928398885
Energy: 1.1486183604178655
Energy: 1.1427229544848025
Energy: 1.1485506069367255
Energy: 1.148149308497737
Energy: 1.1422195304043308
Energy: 1.1492378861339116
Energy: 1.1437220824773344
Energy: 1.142341107931956
Energy: 1.1522413654854415
Energy: 1.1448508156541017
Energy: 1.1423796708809
Energy: 1.1508452462402048
Energy: 1.1473194040056538
Energy: 1.146485487969178
Energy: 1.1505715875175964
Energy: 1.1483955464247482
Energy: 1.1459867213503812
Energy: 1.2370907376031244
Energy: 1.1524598591468442
Energy: 1.15239965937357
Energy: 1.1555585252178864
Energy: 1.1472097167211555
Energy: 1.1524806943467856
Energy: 1.1815993247500258
Energy: 1.143911600296622
Energy: 1.1529267313002942
Energy: 1.181500017125551
Energy: 1.1444710968158096
Energy: 1.1469725368798656
Energy: 1.2343565635897273
Energy: 1.1594480158138
Energy: 1.1591947160264728
Energy: 1.1527937005843962
Energy: 1.1519602059569485
Energy: 1.1577337174516773
Energy: 1.2273635746293252
Energy: 1.1600426897810874
Energy: 1.1618966723525004
Energy: 1.157785670557678
Energy: 1.1591322462234392
Energy: 1.1613366844952293
Energy: 1.2148067039356367
Energy: 1.1596410818066538
Energy: 1.16190747336842
Energy: 1.1529110157892182
Energy: 1.159159116546846
Energy: 1.1613769315265037
Energy: 1.2598299506091915
Energy: 1.1518029890989028
Energy: 1.151570577194601
Energy: 1.153003606562592
Energy: 1.1512505620254825
Energy: 1.156943075857352
Energy: 1.1734519035684032
Energy: 1.222841283963664
Energy: 1.2211536642833072
Energy: 1.17782141125699
Energy: 1.2168864659372454
Energy: 1.15704744541293
Energy: 1.215667957177586
Energy: 1.1939571818602572
Energy: 1.1925903528822062
Energy: 1.1629548448697429
Energy: 1.1992157467202318
Energy: 1.192239607420648
Energy: 1.2142872566747454
Energy: 1.2457347185393235
Energy: 1.1551980609398103
Energy: 1.1614841073637743
Energy: 1.2028001643965338
Energy: 1.1620368817437605
Energy: 1.2446223644372516
Energy: 1.1868971316184525
Energy: 1.1595280772432874
Energy: 1.1766085585584531
Energy: 1.1869915308835377
Energy: 1.1694384322501579

minimum gb energy = 1.1422195304043308 eV
minimum distance =  2.61427703443006 Angstroms
sigma value = 19


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

Energy: 1.2158136525467158
Energy: 1.1254102219635256
Energy: 1.134297326367783
Energy: 1.1326438824306155
Energy: 1.134482818332472
Energy: 1.1391846935460126
Energy: 1.2218446867782116
Energy: 1.14753983555229
Energy: 1.145372241219993
Energy: 1.145570268624461
Energy: 1.1210283794265568
Energy: 1.1454693369704996
Energy: 1.199964415708105
Energy: 1.1373312423572484
Energy: 1.1366370237153083
Energy: 1.1323363203253807
Energy: 1.1372567222034473
Energy: 1.1369550829420938
Energy: 1.1808261749965023
Energy: 1.1466920183602043
Energy: 1.1443577529733422
Energy: 1.1452658817662211
Energy: 1.1452262750420295
Energy: 1.1436466558553962
Energy: 1.1819651288388298
Energy: 1.1327897862018572
Energy: 1.1333732457779138
Energy: 1.1437786041680373
Energy: 1.1386716329500615
Energy: 1.1326927129494013
Energy: 1.182446611989725
Energy: 1.1459548804872477
Energy: 1.1449143605940053
Energy: 1.1208239089007983
Energy: 1.1438318005932002
Energy: 1.1445699732666976
Energy: 1.1812921593033883
Energy: 1.129498681170764
Energy: 1.1275687865585247
Energy: 1.109860640601521
Energy: 1.1290854942583537
Energy: 1.1262404304828946
Energy: 1.175952758977529
Energy: 1.1291319791618772
Energy: 1.1459107025881548
Energy: 1.1385180927865732
Energy: 1.128979747604139
Energy: 1.1467360327331146
Energy: 1.1694787074608066
Energy: 1.1371827315957452
Energy: 1.1378597785208884
Energy: 1.1395803564184597
Energy: 1.1362775061982744
Energy: 1.1376709010304322
Energy: 1.165870265451278
Energy: 1.132413218030545
Energy: 1.1303072595249612
Energy: 1.141087888648548
Energy: 1.1306242428631224
Energy: 1.130294803674027
Energy: 1.1750829451132005
Energy: 1.1254100406588543
Energy: 1.1218077907346162
Energy: 1.1364934103860251
Energy: 1.1252895193609918
Energy: 1.1222306707646
Energy: 1.1968798449624043
Energy: 1.133511267504374
Energy: 1.1343860616502515
Energy: 1.135427108188729
Energy: 1.1261473223421226
Energy: 1.134269784934089
Energy: 1.1819739817616841
Energy: 1.1548170189148121
Energy: 1.1180665951832156
Energy: 1.1288642104719777
Energy: 1.1502455706465107
Energy: 1.1184863731162904
Energy: 1.2132538811118554
Energy: 1.1313524118692844
Energy: 1.1307354360316644
Energy: 1.1158822538401878
Energy: 1.1312530278506037
Energy: 1.1304426248186963
Energy: 1.195988488945256
Energy: 1.1191689245243477
Energy: 1.1198300453078387
Energy: 1.1223945120289474
Energy: 1.1285118836026025
Energy: 1.1200840090672939
Energy: 1.1918098666891104
Energy: 1.118187207429588
Energy: 1.1185414529835702
Energy: 1.1185281634564137
Energy: 1.118426200645365
Energy: 1.1211575976552048
Energy: 1.1744811998832725
Energy: 1.1219287038163643
Energy: 1.132087569203348
Energy: 1.1274718046103955
Energy: 1.1302444794505242
Energy: 1.1421145136133648
Energy: 1.191184455814952
Energy: 1.1180168213370814
Energy: 1.1177152603760347
Energy: 1.1198212917917152
Energy: 1.1179844799589467
Energy: 1.1175845355383447
Energy: 1.1929706559632005
Energy: 1.1382327859333825
Energy: 1.1355604602157752
Energy: 1.1267535150111423
Energy: 1.128920616716429
Energy: 1.118165583751035
Energy: 1.1455903024884393
Energy: 1.1376899801063054
Energy: 1.1355477976201176
Energy: 1.118705892549082
Energy: 1.128725951941606
Energy: 1.118052421285655
Energy: 1.1506908597440726
Energy: 1.1179185178316182
Energy: 1.1180305832481177
Energy: 1.118059734040256
Energy: 1.1181948278921179
Energy: 1.1327520876768558
Energy: 1.1517418943835265
Energy: 1.1380624100667123
Energy: 1.136152567635928
Energy: 1.1223918670651198
Energy: 1.1353267155983764
Energy: 1.1360463519184438
Energy: 1.1490876552790128
Energy: 1.1157628315734631
Energy: 1.115700903822464
Energy: 1.1311881141137186
Energy: 1.115912999007845
Energy: 1.1185583797331526
Energy: 1.1839481245990564
Energy: 1.1153895774050013
Energy: 1.1168915434455957
Energy: 1.1447837276550314
Energy: 1.1154780112044524
Energy: 1.117041481692969
Energy: 1.1852248873921647
Energy: 1.1365825162888155
Energy: 1.138170109086501
Energy: 1.138296168214231
Energy: 1.1305646109903482
Energy: 1.137655381052503
Energy: 1.180277525829859
Energy: 1.1232776431481843
Energy: 1.130908743726062
Energy: 1.1353989424288173
Energy: 1.1225451869072363
Energy: 1.1382067514499195
Energy: 1.1839569363021465
Energy: 1.1306534500040675
Energy: 1.1304226604909526
Energy: 1.1309505651905913
Energy: 1.1305927012688877
Energy: 1.130238440405527
Energy: 1.2001275824737916
Energy: 1.1374245988291518
Energy: 1.1369042016190392
Energy: 1.1439557537248404
Energy: 1.137618189976629
Energy: 1.1456771929716083
Energy: 1.189917522484376
Energy: 1.1359136278057116
Energy: 1.1355928561049
Energy: 1.115252671743795
Energy: 1.1386765070788303
Energy: 1.115531618667501

minimum gb energy = 1.109860640601521 eV
minimum distance =  2.63846996119166 Angstroms
sigma value = 101


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

Energy: 1.7575034999244532
Energy: 1.086361145220545
Energy: 1.0856143533053977
Energy: 1.0527833609781365
Energy: 1.1040760721585459
Energy: 1.0544092592371195
Energy: 1.193613882348566
Energy: 1.0813348169798809
Energy: 1.0805008151094455
Energy: 1.0794427401133744
Energy: 1.078920663893502
Energy: 1.0797929514771456
Energy: 1.1729668180052368
Energy: 1.0781717992765516
Energy: 1.069940183714822
Energy: 1.0777617461531066
Energy: 1.0799415643557144
Energy: 1.0715203985322055
Energy: 1.1364680012948143
Energy: 1.0804518047754283
Energy: 1.0779233400226786
Energy: 1.0786747335905216
Energy: 1.0799254960617353
Energy: 1.077463049014618
Energy: 1.1445506703232162
Energy: 1.0763043135552666
Energy: 1.077593850577653
Energy: 1.075175256053733
Energy: 1.0781694019384966
Energy: 1.0920008336030211
Energy: 1.1330969907882187
Energy: 1.080825588644138
Energy: 1.0787523505605432
Energy: 1.0782753708309845
Energy: 1.0842983239952053
Energy: 1.0785671382005306
Energy: 1.1159752985527716
Energy: 1.0747829786192113
Energy: 1.0692228841559186
Energy: 1.0809957094621656
Energy: 1.0768182717834796
Energy: 1.0681830676272583
Energy: 1.1392989257364083
Energy: 1.0819917882665329
Energy: 1.0806788718108125
Energy: 1.0700822367390461
Energy: 1.0740786506418467
Energy: 1.0804911668870385
Energy: 1.1114110982105982
Energy: 1.079429686993443
Energy: 1.076871734086294
Energy: 1.0771007367518601
Energy: 1.069803535724116
Energy: 1.0770858778290295
Energy: 1.1120564777969484
Energy: 1.079465633120068
Energy: 1.0774188722249196
Energy: 1.0771820667355478
Energy: 1.0779889683233177
Energy: 1.077320127291443
Energy: 1.1429521424570934
Energy: 1.0525894420399535
Energy: 1.052015982394999
Energy: 1.0700198452230423
Energy: 1.073431094184219
Energy: 1.0520967462739668
Energy: 1.1546743918690727
Energy: 1.081001769263586
Energy: 1.078587821611528
Energy: 1.0788263236905362
Energy: 1.0775934110712502
Energy: 1.0783326338439614
Energy: 1.1304887372931915
Energy: 1.0738713237936086
Energy: 1.07531493479493
Energy: 1.0738897456210148
Energy: 1.0703570426378068
Energy: 1.0697991447606627
Energy: 1.1294587985856166
Energy: 1.0810752181431014
Energy: 1.0806236361054256
Energy: 1.0728657251718743
Energy: 1.078280844152028
Energy: 1.0812026498852314
Energy: 1.154670499183337
Energy: 1.0908469798720204
Energy: 1.08415673496064
Energy: 1.0784972931613184
Energy: 1.087175406370026
Energy: 1.0901895870989473
Energy: 1.1720065942770834
Energy: 1.0804906073801541
Energy: 1.078253193369958
Energy: 1.0787212381302276
Energy: 1.075095711323468
Energy: 1.0776694529739874
Energy: 1.1256363046315983
Energy: 1.093074024663176
Energy: 1.0758863270841708
Energy: 1.072324097899735
Energy: 1.0912962548870628
Energy: 1.074143399528772
Energy: 1.1940153465398924
Energy: 1.071997231214693
Energy: 1.0783480003152768
Energy: 1.0756412495479766
Energy: 1.0702491738698514
Energy: 1.075070297973718
Energy: 1.171791039068707
Energy: 1.0839483274585644
Energy: 1.0817213722038435
Energy: 1.0694314358348804
Energy: 1.076414545090462
Energy: 1.0808425253962133
Energy: 1.137796546743239
Energy: 1.082249506153067
Energy: 1.0798569179748931
Energy: 1.0713365757581517
Energy: 1.0788229415700603
Energy: 1.079425957391555
Energy: 1.128916239723981
Energy: 1.0701087033993517
Energy: 1.0709944138194778
Energy: 1.0762669883070741
Energy: 1.0705579109245693
Energy: 1.07503654133414
Energy: 1.133717302887811
Energy: 1.0808893253775456
Energy: 1.0787017494372095
Energy: 1.0754169649788103
Energy: 1.0791483168914873
Energy: 1.0782867203693713
Energy: 1.1270855074489838
Energy: 1.0755636037597274
Energy: 1.0739510866042528
Energy: 1.0815216087095376
Energy: 1.0869126120181927
Energy: 1.0739812326433535
Energy: 1.1398700199511616
Energy: 1.0749573501266927
Energy: 1.076427183151558
Energy: 1.070166242919178
Energy: 1.0749378236700178
Energy: 1.078667272135702
Energy: 1.1105850576780523
Energy: 1.0820925033710955
Energy: 1.0804247906270734
Energy: 1.0794620129780956
Energy: 1.0787099515920222
Energy: 1.0809435337054638
Energy: 1.1113272976835866
Energy: 1.0817321471914274
Energy: 1.0793850106624223
Energy: 1.0768816548167564
Energy: 1.0781717699091637
Energy: 1.0791477160693619
Energy: 1.1438730707263332
Energy: 1.087372136097066
Energy: 1.0767177728840465
Energy: 1.0792309139625218
Energy: 1.0706925254140818
Energy: 1.0772609402006297
Energy: 1.1548918157684014
Energy: 1.0814093302158878
Energy: 1.0798433951621136
Energy: 1.0784284130267245
Energy: 1.0884379528044743
Energy: 1.0813573117447683
Energy: 1.1321224271166075
Energy: 1.0787693228659057
Energy: 1.0801746341826832
Energy: 1.0730007256868777
Energy: 1.0783474675506046
Energy: 1.0798867770371636
Energy: 1.1332254728418039
Energy: 1.0797603580226374
Energy: 1.0807188143331827
Energy: 1.0736765778201292
Energy: 1.080361577110215
Energy: 1.0802501886750804
Energy: 1.153991148157659
Energy: 1.0837337946144017
Energy: 1.0813036947439512
Energy: 1.078418110666754
Energy: 1.0778169417943761
Energy: 1.0807468579505626
Energy: 1.172054903260988
Energy: 1.0824607423931882
Energy: 1.079692194279582
Energy: 1.0790994993168033
Energy: 1.077812697592726
Energy: 1.0787059392081055
Energy: 1.126871282423043
Energy: 1.0709465872305628
Energy: 1.0764881303882035
Energy: 1.0712635888778586
Energy: 1.0701738978857873
Energy: 1.075988369632807

minimum gb energy = 1.052015982394999 eV
minimum distance =  2.63550363667166 Angstroms
sigma value = 33


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

Energy: 0.009586298933522017
Energy: 0.010246352232074148
Energy: 0.010106038337106493
Energy: 0.011078698441486016
Energy: 1.2772148314905227
Energy: 0.010041230333939149
Energy: 0.010351737909870156
Energy: 0.12179059311839945
Energy: 0.1225010554130626
Energy: 0.1238728508294127
Energy: 0.1229707979052533
Energy: 0.12074973358291043
Energy: 1.6512176662613736
Energy: 1.2775719368499758
Energy: 1.2761999225639857
Energy: 1.2780234886768305
Energy: 1.277497612193711
Energy: 1.2755983281389114
Energy: 0.010351737909870156
Energy: 0.12179059311874463
Energy: 0.1225010554133886
Energy: 0.1238728508294127
Energy: 0.12297079790490813
Energy: 0.12074973358223927

minimum gb energy = 0.009586298933522017 eV
minimum distance =  2.86177963766012 Angstroms
sigma value = 1