Model name: model_name=EAM_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.637506820261479
cohesive_energy=2.2588792379667417
mass=106.42
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=[1.4207830020284218e-19, 1.81049163995268e-19, 2.0922984881069397e-19, 2.29457328814944e-19, 2.4429028009251596e-19, 2.5513701590469597e-19, 2.6295884223188397e-19, 2.7088160568701396e-19, 2.8279539113743797e-19, 2.94100349466942e-19, 3.0437350604414997e-19, 3.13709389290468e-19, 3.2218330150769395e-19, 3.2980645793226595e-19, 3.36558030267942e-19, 3.4240437280540797e-19, 3.4731023765871596e-19, 3.51251592178356e-19, 3.5406501434766e-19, 3.56202317977416e-19, 3.5850144144720597e-19, 3.6034554675293996e-19, 3.6149751175278597e-19, 3.6188363632158e-19, 3.6146226386683793e-19, 3.60102015904572e-19, 3.57647481301284e-19, 3.53935238040306e-19, 3.4878263798536197e-19, 3.4197659164413e-19, 3.3327196599160798e-19, 3.2237876705704197e-19, 3.0836933456934596e-19, 2.93882453444718e-19, 2.7889889756355e-19, 2.61423957016512e-19, 2.4027041891780997e-19, 2.1452664476269797e-19, 1.83239339453946e-19, 1.4518780461410938e-19, 9.95845704275772e-20, 4.5652421009196e-20, -2.0660868783746996e-20, -1.0326172602027059e-19, -2.01218965640694e-19, -3.05091281176182e-19, -4.32783156729348e-19, -5.88235946819832e-19, -7.82243515430892e-19, -1.0073781716873038e-18, -1.2953934542983139e-18, -1.6748353443518999e-18, -2.1785276345488198e-18, -4.5902360564099995e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 10.9048335 eV

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

Energy: 0.008604953824492811
Energy: 0.009733434887004695
Energy: 0.009335882039644014
Energy: 0.01279630661735657
Energy: 0.5531109514339482
Energy: 0.009257171029260176
Energy: 0.009733434893061822
Energy: 0.13326509938487763
Energy: 0.13361796402387707
Energy: 0.13440879782069862
Energy: 0.1327528674711903
Energy: 0.13336872148332754
Energy: 0.009335882033604097
Energy: 0.13361796402387707
Energy: 0.13256305746106975
Energy: 0.009397214939406371
Energy: 0.13322637917617408
Energy: 0.13203706168972998
Energy: 0.012796306620367928
Energy: 0.1344087978237272
Energy: 0.009397214939406371
Energy: 0.009091847506614664
Energy: 0.13321912916790682
Energy: 0.00940131197913748
Energy: 0.5531109514339482
Energy: 0.13275286747421886
Energy: 0.13322637917617408
Energy: 0.13321912917396392
Energy: 0.132812689410813
Energy: 0.13368745509422758
Energy: 0.009257171032288737
Energy: 0.13336872147728762
Energy: 0.13203706168972998
Energy: 0.009401311982166042
Energy: 0.13368745510028474
Energy: 0.009464822638264977

minimum gb energy = 0.008604953824492811 eV
minimum distance =  2.56775738559945 Angstroms
sigma value = 1


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

Energy: 1.487384594872219
Energy: 1.0056065942610406
Energy: 1.0590748710535667
Energy: 0.9276389748210808
Energy: 1.5454929028321753
Energy: 1.0568429155509798
Energy: 1.4836776393427085
Energy: 1.0190227814672446
Energy: 1.0343099015730512
Energy: 0.9977393518624181
Energy: 1.0197166369050228
Energy: 1.0321870663783708
Energy: 1.4603267813942857
Energy: 1.0151596678968051
Energy: 1.0244315261418262
Energy: 1.0450419598158291
Energy: 1.0160621497956137
Energy: 1.0424866358689746
Energy: 1.565235548963614
Energy: 1.0241803051422567
Energy: 1.0000474612591994
Energy: 1.0220258608560324
Energy: 1.021416919739581
Energy: 1.0119257850714483
Energy: 1.4899048179146337
Energy: 1.042886358572516
Energy: 1.036357274810344
Energy: 1.0282440562052937
Energy: 1.0411673440207576
Energy: 1.0298594172113764
Energy: 1.3889089119994757
Energy: 1.037742093546184
Energy: 1.039314214430104
Energy: 1.048263644794139
Energy: 1.0400487190883219
Energy: 1.0419366737430467
Energy: 1.385831288824053
Energy: 1.0377664542560456
Energy: 1.0469048312768068
Energy: 1.037189551608603
Energy: 1.0413811156382897
Energy: 1.0396180810965028
Energy: 1.3968096076093477
Energy: 1.0470950172385018
Energy: 1.0467011230994716
Energy: 0.9486220645848668
Energy: 1.0478876880105952
Energy: 1.0442912546361796
Energy: 1.1102290405783357
Energy: 1.0418605056483559
Energy: 1.0483756419806431
Energy: 1.0395275313880432
Energy: 1.0466666589599967
Energy: 1.0366292066736942
Energy: 1.1065762113018425
Energy: 1.0314270138106252
Energy: 1.0326294132650389
Energy: 1.045619258097422
Energy: 1.030334918502707
Energy: 1.0309839423774567
Energy: 1.1238613675827203
Energy: 1.0075857817722977
Energy: 1.0072446580049506
Energy: 1.0592627525982212
Energy: 1.0114762991270314
Energy: 1.0139499847987825
Energy: 1.0214192733098666
Energy: 1.0360351536800383
Energy: 1.0325400343555065
Energy: 1.0223704643646494
Energy: 1.0465036595493322
Energy: 1.0367142454638303
Energy: 1.0200206169536856
Energy: 1.0130659945293592
Energy: 1.0358652657568177
Energy: 1.018909081026346
Energy: 1.0448845702593155
Energy: 1.0352247910574928
Energy: 1.0905253366079057
Energy: 1.011077936088578
Energy: 1.0130395672459729
Energy: 1.0213735580567798
Energy: 1.0127067018837703
Energy: 1.0002541865432097
Energy: 1.044898375193541
Energy: 1.0300932709114687
Energy: 1.0301332446526736
Energy: 1.0352184797233073
Energy: 1.0130213095181513
Energy: 1.0346513558965844
Energy: 1.0500470031789095
Energy: 1.0429484446542039
Energy: 1.0478390801007995
Energy: 1.0243370705470625
Energy: 1.0517603465010041
Energy: 1.0286699188870612
Energy: 1.3542561695261353
Energy: 1.037991054445614
Energy: 1.0323766692461576
Energy: 1.0244833460095715
Energy: 1.0362855973070988
Energy: 1.022577517341579
Energy: 1.2308512090462698
Energy: 1.042961980896383
Energy: 1.0434711920119615
Energy: 1.0529123993163356
Energy: 1.0432886319886847
Energy: 1.045027902289996
Energy: 1.2338789284203124
Energy: 1.0465984022152113
Energy: 1.0414335893887157
Energy: 1.0508039761975068
Energy: 1.0505324587018656
Energy: 1.0422103693735658
Energy: 1.464151330416405
Energy: 1.0483353606317471
Energy: 1.0425397353815622
Energy: 1.0465608881917132
Energy: 1.0506824749510841
Energy: 1.0418941321976956
Energy: 1.471683932038163
Energy: 1.0084554726747725
Energy: 1.0013388014040097
Energy: 1.0153745014864979
Energy: 1.0244109658512908
Energy: 1.0092275359609124
Energy: 1.4397562523676573
Energy: 1.0246615083839148
Energy: 1.0278700929660323
Energy: 1.0495012366287102
Energy: 1.0206087074249832
Energy: 1.052641584418117
Energy: 1.4847862684593058
Energy: 1.0223509408160658
Energy: 1.0348235851203427
Energy: 1.0427464407381022
Energy: 1.0046456834661877
Energy: 1.0329091591829473

minimum gb energy = 0.9276389748210808 eV
minimum distance =  2.35798856429829 Angstroms
sigma value = 33


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

Energy: 1.6311027161105711
Energy: 1.1168543125549337
Energy: 1.0851125443496086
Energy: 1.371812078864157
Energy: 1.0310499969073028
Energy: 1.0832540286657133
Energy: 1.1784742742482295
Energy: 1.030728440018233
Energy: 1.027120417818322
Energy: 1.0781155864099268
Energy: 1.0294356758438652
Energy: 1.0781980291272546
Energy: 1.351425205655518
Energy: 1.032208999302676
Energy: 1.0285411287040023
Energy: 1.0579234104910173
Energy: 1.0312977066498026
Energy: 1.0818678101796033
Energy: 1.4068970452715561
Energy: 1.0297305529200436
Energy: 1.0296838726971451
Energy: 1.0639483544698738
Energy: 1.0263151404032917
Energy: 1.064500891454826
Energy: 1.3054995293379748
Energy: 1.0270899378307554
Energy: 1.0587149512258902
Energy: 1.076086985562832
Energy: 1.0284654737542083
Energy: 1.0693959573183545
Energy: 1.397856938098809
Energy: 1.055549718332656
Energy: 1.056975067887587
Energy: 1.062769259881338
Energy: 1.0320440438659713
Energy: 1.0615884316472037
Energy: 1.395642768393081
Energy: 1.0585296534906914
Energy: 1.0590712380513359
Energy: 1.0672692513654476
Energy: 1.0549660781153682
Energy: 1.0596370074916373
Energy: 1.3115054095543484
Energy: 1.0747778736827918
Energy: 1.0717164024643793
Energy: 1.061266141457412
Energy: 1.0774499048730564
Energy: 1.0667190016375354
Energy: 1.1040512534754032
Energy: 1.07610540363386
Energy: 1.078194397518784
Energy: 1.0546066927213125
Energy: 1.0737671058097336
Energy: 1.0616166380045569
Energy: 1.1020305037286773
Energy: 1.071198288245708
Energy: 1.0709305708573522
Energy: 1.0323342122327013
Energy: 1.077349406176086
Energy: 1.0604032517972586
Energy: 1.0538569396000177
Energy: 1.0286085424115157
Energy: 1.0342762216427166
Energy: 1.040157152538259
Energy: 1.027779774872729
Energy: 1.0340011300446474
Energy: 1.029895924308232
Energy: 1.0728974159704112
Energy: 1.0780532748107157
Energy: 1.0302691452207702
Energy: 1.068600747050547
Energy: 1.0335332455149395
Energy: 1.0340952274296105
Energy: 1.0732549318774585
Energy: 1.0744629089773423
Energy: 1.0317450556879124
Energy: 1.074601615071044
Energy: 1.0570354503774553
Energy: 1.0391530137390221
Energy: 1.0599847058861191
Energy: 1.0643369444777413
Energy: 1.034140075331182
Energy: 1.0642776656628334
Energy: 1.0644553162591173
Energy: 1.102399685987286
Energy: 1.0743685282028674
Energy: 1.069853884392216
Energy: 1.0290422095437752
Energy: 1.0776228288051184
Energy: 1.0588480684127508
Energy: 1.0998556106008786
Energy: 1.0595483482565853
Energy: 1.0599079525374657
Energy: 1.0505125735155154
Energy: 1.0627514308622614
Energy: 1.0574099313653766
Energy: 1.3131512611026999
Energy: 1.054943902601136
Energy: 1.0554058829490727
Energy: 1.0330291870905255
Energy: 1.066358954472279
Energy: 1.0598130305037932
Energy: 1.1830200776947368
Energy: 1.0577508071468036
Energy: 1.058648743927198
Energy: 1.0749249943905395
Energy: 1.0565976989307084
Energy: 1.0665524799797843
Energy: 1.1774684726391724
Energy: 1.0549579672985847
Energy: 1.0571936967301094
Energy: 1.0755056189107572
Energy: 1.0540967880856174
Energy: 1.0855981333141853
Energy: 1.369783722923997
Energy: 1.0574375622128083
Energy: 1.058470325728597
Energy: 1.0760413609579171
Energy: 1.0553954880191347
Energy: 1.0752648119060821
Energy: 1.6095144648527961
Energy: 1.0269878612584207
Energy: 1.0274533765779978
Energy: 1.0288330023915961
Energy: 1.0263332033786556
Energy: 1.034782956902321
Energy: 1.180167695996105
Energy: 1.0314419417496974
Energy: 1.0331336856140487
Energy: 1.07247459849473
Energy: 1.031032474614633
Energy: 1.0604473598362245
Energy: 1.3639419146236043
Energy: 1.0311624367615482
Energy: 1.0281310578530247
Energy: 1.0810975606484408
Energy: 1.0296458702636875
Energy: 1.078690449345319
Energy: 1.4018074705072874
Energy: 1.040634999965249
Energy: 1.0302115395417712
Energy: 1.0610473457498768
Energy: 1.0438293319859389
Energy: 1.0961231825604711
Energy: 1.365105852478492
Energy: 1.0307195146272885
Energy: 1.026991002759151
Energy: 1.078870779027694
Energy: 1.031569546381743
Energy: 1.0733662571202063
Energy: 1.3539327465904192
Energy: 1.0542979141982145
Energy: 1.0573484315722752
Energy: 1.0588218356949421
Energy: 1.0540428920203084
Energy: 1.06096031155422
Energy: 1.3932962895720833
Energy: 1.0606236065040244
Energy: 1.056409227669491
Energy: 1.0811098987101608
Energy: 1.0622657239460283
Energy: 1.055743326416385
Energy: 1.370915965441119
Energy: 1.0730318239905117
Energy: 1.0693852632059357
Energy: 1.0584491579830368
Energy: 1.077921954709562
Energy: 1.0801473156339652
Energy: 1.1008343095360438
Energy: 1.0727509810447051
Energy: 1.0665239443744872
Energy: 1.055069459166121
Energy: 1.0776861652969374
Energy: 1.0595468409824234
Energy: 1.1004045351840477
Energy: 1.0690275424034874
Energy: 1.0694396785486289
Energy: 1.054969474135543
Energy: 1.0751815706548031
Energy: 1.0580770335350362
Energy: 1.1946900510192333
Energy: 1.023053543133081
Energy: 1.017074271939101
Energy: 1.028910518518693
Energy: 1.0287543921243447
Energy: 1.0161346812360874
Energy: 1.0370489802582523
Energy: 1.074143833048493
Energy: 1.0576460633306033
Energy: 1.033049336533621
Energy: 1.0684819812372754
Energy: 1.0322178317757527
Energy: 1.028901999855299
Energy: 1.0708219315168945
Energy: 1.0709452840891773
Energy: 1.0287577836611466
Energy: 1.075338690904162
Energy: 1.0281584189674182
Energy: 1.0331021487071406
Energy: 1.0642331626806165
Energy: 1.0591924037194798
Energy: 1.0331527964416158
Energy: 1.0616345832570768
Energy: 1.0646265268346642
Energy: 1.1005607938026432
Energy: 1.0726279157561784
Energy: 1.0731812252436561
Energy: 1.0284070936990632
Energy: 1.0752984562593075
Energy: 1.0784612873618047
Energy: 1.0968344460471402
Energy: 1.0809920046757222
Energy: 1.0842222737127796
Energy: 1.0562505529409765
Energy: 1.0576214026256663
Energy: 1.0590615704367004
Energy: 1.1006834068387104
Energy: 1.059080465866109
Energy: 1.0613461787639291
Energy: 1.025525196891806
Energy: 1.0599274377705525
Energy: 1.0641259209046323
Energy: 1.1775682504273357
Energy: 1.058292177254572
Energy: 1.0849441981631822
Energy: 1.0726437697693514
Energy: 1.0562426067269892
Energy: 1.0777527365662838
Energy: 1.1841893014560958
Energy: 1.0576537582015513
Energy: 1.0601084577621573
Energy: 1.0765588403933533
Energy: 1.05642170943594
Energy: 1.0666491939841756
Energy: 1.4460467322202437
Energy: 1.0541827046587637
Energy: 1.0560232516543362
Energy: 1.0758876959935448
Energy: 1.054084795388347
Energy: 1.0742754036039417
Energy: 1.6031381785582028
Energy: 1.0315141924303126
Energy: 1.0164743842391182
Energy: 1.0168270692305001
Energy: 1.0308663531818623
Energy: 1.0165770467576667

minimum gb energy = 1.0161346812360874 eV
minimum distance =  2.4020509152466 Angstroms
sigma value = 51


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

Energy: 1.5469818741383154
Energy: 1.0149373240058368
Energy: 1.0147014718335348
Energy: 1.0796027014043776
Energy: 1.6377360384691206
Energy: 1.0819773263971375
Energy: 1.4505853590915643
Energy: 1.0512270263036338
Energy: 1.0507878752409836
Energy: 1.096011727741625
Energy: 1.0507433135584061
Energy: 1.083250181205185
Energy: 1.42864220587237
Energy: 1.0527639874430115
Energy: 1.0515786509055463
Energy: 1.048649004801747
Energy: 1.0529890289833508
Energy: 1.0842312670055023
Energy: 1.4181485797917326
Energy: 1.0358052120091643
Energy: 1.0349563387887841
Energy: 1.0678669038504387
Energy: 1.0545457564121017
Energy: 1.0658198569597983
Energy: 1.3277447521690298
Energy: 1.0458732567799471
Energy: 1.0971216544352254
Energy: 1.009256966102154
Energy: 1.055531795764644
Energy: 1.0945655645124452
Energy: 1.209402036377698
Energy: 1.1178722214520174
Energy: 1.0965948695412004
Energy: 1.1179375717328195
Energy: 1.1226993952160687
Energy: 1.0945965971566272
Energy: 1.2131334474563684
Energy: 1.022716786816241
Energy: 1.02285282955967
Energy: 1.11871108438721
Energy: 1.0252025480200675
Energy: 1.0950377082426603
Energy: 1.3123984117100194
Energy: 1.0257546920997391
Energy: 1.0217282423328187
Energy: 1.0523413666673824
Energy: 0.9781521515571895
Energy: 1.0319864476574923
Energy: 1.0549267009955292
Energy: 1.0240105320121413
Energy: 1.020179368312705
Energy: 1.0534226579552193
Energy: 1.0097813113998808
Energy: 1.0515481282377028
Energy: 1.0513319356323605
Energy: 1.0203408769019555
Energy: 1.056230694796875
Energy: 1.0515092672839665
Energy: 1.0209057069977656
Energy: 1.051805731523246
Energy: 1.0518510549213236
Energy: 0.9948720079693812
Energy: 1.0196290549034008
Energy: 1.0527684095479375
Energy: 0.9888712691088574
Energy: 1.020311432204203
Energy: 1.0874982804312399
Energy: 0.978538423971457
Energy: 1.0534384349674135
Energy: 1.0526951612448918
Energy: 1.0294331016386031
Energy: 1.0825423832057834
Energy: 1.0823593499168374
Energy: 1.0565964231220977
Energy: 1.0595522019849826
Energy: 1.0677899850483332
Energy: 1.0708108976907629
Energy: 1.0706156828926894
Energy: 1.0865005742052645
Energy: 1.069155261519254
Energy: 1.066616938844203
Energy: 1.0515463646697152
Energy: 1.0242662459076155
Energy: 1.0664593697949372
Energy: 1.280852523197792
Energy: 1.0653498662813141
Energy: 1.0460044689453356
Energy: 1.152694372309675
Energy: 1.066113188432154
Energy: 1.0472654880801273
Energy: 1.2829758211732427
Energy: 1.0655674040547924
Energy: 1.0643230540686135
Energy: 1.0910447681544904
Energy: 1.061280980107406
Energy: 1.085626840060716
Energy: 1.331458631797683
Energy: 1.0646399907500548
Energy: 1.0652732577917323
Energy: 1.0237534582413554
Energy: 1.0636086801206508
Energy: 1.063181449946264
Energy: 1.5505912576385117
Energy: 1.0524597805639928
Energy: 1.05141409042459
Energy: 1.0233494246896506
Energy: 1.0507195233815378
Energy: 0.959617024551157

minimum gb energy = 0.959617024551157 eV
minimum distance =  2.38252145331468 Angstroms
sigma value = 19


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

Energy: 1.325542987502532
Energy: 1.12010754505966
Energy: 1.1239045913694057
Energy: 1.129512356642563
Energy: 0.9720410594174057
Energy: 1.129370121175281
Energy: 1.265615816823556
Energy: 0.9714340787320515
Energy: 0.9710532253155395
Energy: 1.0150868249241691
Energy: 0.9737664046259313
Energy: 0.9700582892198361
Energy: 1.1438755510221517
Energy: 0.9708311329493552
Energy: 0.9712139191126326
Energy: 1.0776365244112285
Energy: 0.9706977514897961
Energy: 0.9708891784101944
Energy: 1.1340347194101326
Energy: 0.9714062336652376
Energy: 0.9710950900553673
Energy: 1.0542661135341236
Energy: 0.9713300481140453
Energy: 0.9703524560506335
Energy: 1.111112654211434
Energy: 0.9684133891030927
Energy: 0.9712656468169868
Energy: 1.0906481883303527
Energy: 0.9715922937991954
Energy: 1.0139017674058441
Energy: 1.1440467898991933
Energy: 0.943045952722538
Energy: 1.0152884117986745
Energy: 1.0636582098126162
Energy: 0.9430368904219959
Energy: 1.0120669472346238
Energy: 1.141474465396819
Energy: 1.017186361602419
Energy: 1.0119030291547204
Energy: 1.015698549431352
Energy: 0.952256813240798
Energy: 1.0125066154175784
Energy: 0.952318197843521
Energy: 0.9425373625584461
Energy: 0.98583012545325
Energy: 0.971442876770502
Energy: 0.9444321705266961
Energy: 0.9456585081201547
Energy: 0.9712631941479605
Energy: 0.9425816082669702
Energy: 0.9422140134335493
Energy: 0.9714652224368479
Energy: 0.9448162181341645
Energy: 0.9424880986691953
Energy: 0.971742467804752
Energy: 1.0151907078373748
Energy: 0.9696789827723333
Energy: 0.9725171355630524
Energy: 0.9527519059471767
Energy: 0.9695060242494498
Energy: 0.9685003786300781
Energy: 1.052252766842697
Energy: 1.0535623633242344
Energy: 0.9697411940708344
Energy: 1.0534977299769779
Energy: 0.971936469278651
Energy: 1.139756665572643
Energy: 1.0128777201139592
Energy: 1.013951816649248
Energy: 0.9707618194297992
Energy: 0.9529257366403658
Energy: 0.9690921261994374
Energy: 0.9414052639121289
Energy: 1.0127718306685884
Energy: 1.0563553722502423
Energy: 0.9453601503619549
Energy: 1.0119518986974878
Energy: 1.0567090439513542
Energy: 1.1439311772673761
Energy: 1.0564182573115954
Energy: 1.0571138410676504
Energy: 0.9702065508925167
Energy: 1.0581705465965476
Energy: 1.0589234845356763
Energy: 1.3673632765996857
Energy: 0.9709788078355394
Energy: 0.9709456629455645
Energy: 0.9448787254679529
Energy: 0.9711941505322844
Energy: 0.9422256173789042
Energy: 1.3331172918362095
Energy: 0.9717275721821724
Energy: 0.9660023791017717
Energy: 1.1163180400072028
Energy: 0.9733744484100773
Energy: 0.9869669326153648
Energy: 1.1410761517385384
Energy: 0.9711335716475189
Energy: 0.9712457800879777
Energy: 0.9518962179163561
Energy: 0.9692873452591022
Energy: 0.9701304091572148
Energy: 1.1367474040098058
Energy: 0.9715048577753211
Energy: 0.9713255072893268
Energy: 1.0528329515817045
Energy: 0.9710632922430859
Energy: 1.0448469294602565
Energy: 1.1387634870680634
Energy: 0.9709950535763401
Energy: 0.9705538721504277
Energy: 1.0518381681381275
Energy: 0.9714447076959809
Energy: 1.0505127281906095
Energy: 1.142570399168932
Energy: 0.9427966003375751
Energy: 1.0168033126399427
Energy: 1.012404416269775
Energy: 0.9424061296928989
Energy: 1.0114771638939613
Energy: 1.1369769945898065
Energy: 0.9699694562364763
Energy: 1.0576998480257358
Energy: 1.0583929677027903
Energy: 0.9719643608930936
Energy: 1.057927895972474
Energy: 1.1422758599989256
Energy: 1.0132550973451735
Energy: 1.0140160676752306
Energy: 0.9731323851708055
Energy: 0.952868388230764
Energy: 1.0135471922931185
Energy: 0.9526270202326187
Energy: 1.1239142582643975
Energy: 1.1331088901878015
Energy: 0.9528191957441143
Energy: 1.1240977228547813
Energy: 1.126082880000741
Energy: 0.9742262723280919
Energy: 0.9712760816799477
Energy: 0.9706098171670245
Energy: 0.971688064958955
Energy: 0.996357589362423
Energy: 0.970179725256295
Energy: 0.9711106370175572
Energy: 1.057722534213812
Energy: 0.9711923137547025
Energy: 0.9708324878570298
Energy: 1.0794784220481448
Energy: 0.9704965930938847
Energy: 1.1130899834910986
Energy: 1.0525019092296024
Energy: 1.0526241017214888
Energy: 0.971502527224398
Energy: 1.0541557088565467
Energy: 0.9714958574458804
Energy: 1.1403124616489386
Energy: 1.0127321934996178
Energy: 1.0149370190346438
Energy: 0.9716544117163541
Energy: 0.9528510097960534
Energy: 1.0142883423497582
Energy: 0.9428779277926256
Energy: 1.0152310213547338
Energy: 1.0153548539196555
Energy: 0.9429669038276391
Energy: 1.0635654975796323
Energy: 1.01198061306594
Energy: 1.1102476117772664
Energy: 1.012762188232392
Energy: 1.0131741519072965
Energy: 0.9539037728289557
Energy: 1.0178659706162327
Energy: 1.011244658149488
Energy: 1.3339661747474096
Energy: 0.9714141674851393
Energy: 0.9429854968769332
Energy: 0.9433818574607541
Energy: 1.183592346273752
Energy: 0.9658121038897963

minimum gb energy = 0.9414052639121289 eV
minimum distance =  2.41429145091702 Angstroms
sigma value = 27


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

Energy: 1.1134404824885593
Energy: 1.0127964332239534
Energy: 1.0123269782916435
Energy: 1.0250925544326381
Energy: 1.7505924585552342
Energy: 1.0124437062148128
Energy: 1.0289153007953702
Energy: 0.973703498504063
Energy: 0.9706334954527613
Energy: 0.9394566872329613
Energy: 0.9740893398041939
Energy: 0.9088081504983913
Energy: 1.018283636470035
Energy: 0.9718847567337283
Energy: 0.969873140633767
Energy: 0.9345243186461817
Energy: 0.9717672885527869
Energy: 0.9244532908069113
Energy: 1.0280676199243803
Energy: 0.9699561200361131
Energy: 0.9198808247642741
Energy: 0.9696725345158518
Energy: 0.9704532777893577
Energy: 0.8884350508523066
Energy: 1.1370939302927934
Energy: 0.8352530671322212
Energy: 0.888958146884906
Energy: 1.0363292283385979
Energy: 0.950134306970963
Energy: 0.8872802697750977
Energy: 0.9716224609405633
Energy: 1.0311929195913752
Energy: 1.0257673645783758
Energy: 0.9706533058887261
Energy: 1.0258472764835775
Energy: 0.8697063952427007
Energy: 0.9727047409272119
Energy: 0.9439203517395794
Energy: 0.922884738607291
Energy: 0.9718183992225883
Energy: 0.9378405630278793
Energy: 0.9248132348024043
Energy: 1.0417206995139272
Energy: 0.9760094294122208
Energy: 0.9521114226729929
Energy: 1.0408186691750185
Energy: 0.975307549724386
Energy: 0.9198120770401479
Energy: 1.0146151579189016
Energy: 0.9604433233296223
Energy: 0.9459422819684803
Energy: 0.969432025706188
Energy: 0.9798516157879055
Energy: 0.9195138375749925
Energy: 0.9129650363968351
Energy: 0.9626826264236076
Energy: 0.956308382074871
Energy: 0.9827713407938902
Energy: 0.9877763018291597
Energy: 0.9217607794386706
Energy: 1.019666042693605
Energy: 0.9721978022187141
Energy: 0.978236298176326
Energy: 0.9730909985874697
Energy: 0.9712003127433126
Energy: 0.9793691784532513
Energy: 1.0289153050365474
Energy: 0.9733885582939602
Energy: 0.9205002817924995
Energy: 0.9401505169087799
Energy: 0.9719863882145796
Energy: 0.9074535311500901

minimum gb energy = 0.8352530671322212 eV
minimum distance =  2.40808408141279 Angstroms
sigma value = 9


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

Energy: 2.0073405984153583
Energy: 0.8832936113565246
Energy: 0.8719037811498783
Energy: 0.8500334532324064
Energy: 0.8408124436574375
Energy: 0.8711702526260768
Energy: 0.7981262073949339
Energy: 0.8402065039030289
Energy: 0.8408233044467656
Energy: 0.84659892409752
Energy: 0.8414312709339358
Energy: 0.8367237344597689
Energy: 0.8586288344020311
Energy: 0.839186183730264
Energy: 0.8375944247315685
Energy: 0.8493986505718484
Energy: 0.8391859349757151
Energy: 0.8284709239511816
Energy: 0.8621566578467047
Energy: 0.8093919441840522
Energy: 0.7909266939631752
Energy: 0.8542432903132493
Energy: 0.8949182242329233
Energy: 0.7933098683616236
Energy: 0.9310257530920798
Energy: 0.8238392776901737
Energy: 0.9127745921563619
Energy: 0.8675581983443619
Energy: 0.8227769438075951
Energy: 0.8529673979079703
Energy: 0.8686961831990917
Energy: 0.8221248394300278
Energy: 0.8617388169469969
Energy: 0.869817283870961
Energy: 0.8144714345654064
Energy: 0.8311320458070058
Energy: 0.8718455715453812
Energy: 0.7973689562481767
Energy: 0.7966255456500658
Energy: 0.8744678577731717
Energy: 0.8545005875043717
Energy: 0.8684401189466828
Energy: 0.8914490401589102
Energy: 0.8427925816963489
Energy: 0.8441608456764171
Energy: 0.8922104596302195
Energy: 0.841461214122153
Energy: 0.848495745408247
Energy: 1.1874379591982236
Energy: 0.8472924375085439
Energy: 0.9192803348432681
Energy: 0.8715560244742622
Energy: 0.8565782793716809
Energy: 0.9146585779407777
Energy: 0.8100164559038289
Energy: 0.8277359455066051
Energy: 0.7986125509063167
Energy: 0.8337551585074405
Energy: 0.8685091475319725
Energy: 0.7975409786114788
Energy: 0.7951873425323833
Energy: 0.8680436431666565
Energy: 0.8697109070619716
Energy: 0.8269723055376393
Energy: 0.8679446783043677
Energy: 0.8458502275522929
Energy: 1.1728118614931788
Energy: 0.8675438180904688
Energy: 0.8676872483578458
Energy: 0.8336600051431359
Energy: 0.8674089573391515
Energy: 0.8633223512460185
Energy: 0.9993041094061096
Energy: 0.8490540573681691
Energy: 0.8700258842178588
Energy: 0.8387091920987687
Energy: 0.8738612116350664
Energy: 0.8092884574077396
Energy: 1.0210777079978335
Energy: 0.8512341248046139
Energy: 0.8627604096885132
Energy: 0.8162937587604719
Energy: 0.8692268546621602
Energy: 0.8637785788936111
Energy: 0.8451173426611852
Energy: 0.863458190044014
Energy: 0.8696296737348582
Energy: 0.8476369211285154
Energy: 0.8612223983031817
Energy: 0.88896965820085
Energy: 0.8400048159634768
Energy: 0.872871612206849
Energy: 0.834984979457808
Energy: 0.8409587573148382
Energy: 0.8548183836086077
Energy: 0.8613106404229811
Energy: 0.8399299821696344
Energy: 0.8106238941010941
Energy: 0.8591751638401331
Energy: 0.8405423693218311
Energy: 0.8110009277512978
Energy: 0.8324268825710814
Energy: 0.9138277274198017
Energy: 0.8294472433501561
Energy: 0.7987531735686269
Energy: 0.8410003087403134
Energy: 0.829580885930289
Energy: 0.8300299202104846
Energy: 0.8588076446731288
Energy: 0.831725946700058
Energy: 0.8480510910484098
Energy: 0.8402493560583261
Energy: 0.8449177526015742
Energy: 0.8366803524736129
Energy: 0.8614765433201924
Energy: 0.8365546447985135
Energy: 0.8470377989506503
Energy: 0.8353401776994226
Energy: 0.8369666370664963
Energy: 0.8196546663785618
Energy: 0.859436028276134
Energy: 0.8401425423380527
Energy: 0.8245622278749445
Energy: 0.886284418385492
Energy: 0.8393679332979057
Energy: 0.8242375916198846
Energy: 0.9056692956181936
Energy: 0.8413097611277819
Energy: 0.8736074066241909
Energy: 0.8234980643738605
Energy: 0.8403491348109742
Energy: 0.7998534366782327
Energy: 0.9208196103074712
Energy: 0.8412820507908911
Energy: 0.8476402423360412
Energy: 0.8230566195608692
Energy: 0.8411804727247344
Energy: 0.7923719939078908
Energy: 0.8579968154716634
Energy: 0.8401753516722176
Energy: 0.8399491652040457
Energy: 0.852950207744827
Energy: 0.8392025907249416
Energy: 0.8506242614692476
Energy: 1.0066261781637753
Energy: 0.839346705543485
Energy: 0.8837720154439626
Energy: 0.8327438275553227
Energy: 0.8380190707792089
Energy: 0.8827071890879639
Energy: 0.8587397811592633
Energy: 0.8115060575210671
Energy: 0.7987885544879193
Energy: 0.8562497818054772
Energy: 0.8177164070472451
Energy: 0.862776877116609
Energy: 0.9658187854283602
Energy: 0.8537782080956449
Energy: 0.8700835579783649
Energy: 0.9612691609476609
Energy: 0.7701422143168078
Energy: 0.9266321885537382
Energy: 0.8703292405062116
Energy: 0.7995812086524393
Energy: 0.7996849587168726
Energy: 0.8684022899902651
Energy: 0.8119697924407354
Energy: 0.8684143652458948
Energy: 0.8666568242007423
Energy: 0.8273909378576866
Energy: 0.9141568441037258
Energy: 0.8667548439969731
Energy: 0.8350575459801111
Energy: 0.898185483553547
Energy: 0.8551555693643677
Energy: 0.8628264243964056
Energy: 0.8708473485911506
Energy: 0.8793132571584503
Energy: 0.8568322223785593
Energy: 0.812478311324048
Energy: 0.7956892789168437
Energy: 0.8259989564538575
Energy: 0.8009265819513601
Energy: 0.84761561756899
Energy: 0.8477208688644234
Energy: 0.9145207132694143
Energy: 1.3796828175930118
Energy: 0.8921651891118145
Energy: 0.8691211099862647
Energy: 0.8215786041986227
Energy: 0.8928536744602839
Energy: 0.8230962401336654
Energy: 1.0221325907434353
Energy: 0.8655272177341811
Energy: 0.8656312060158321
Energy: 0.8520837386741217
Energy: 0.8714525071578644
Energy: 0.7982827530072402
Energy: 0.8551541143740031
Energy: 0.868328465705541
Energy: 0.8691135408814021
Energy: 0.8278176914511528
Energy: 0.8686540230850281
Energy: 0.8753629916961476
Energy: 0.850176405688735
Energy: 0.8472383232702955
Energy: 0.8331415042570242
Energy: 0.8524932080661914
Energy: 0.868196878362728
Energy: 0.8631013909370565
Energy: 0.8726219470038965
Energy: 0.8666513038990499
Energy: 0.9096762927996165
Energy: 0.9321710823911152
Energy: 0.8700569014866202
Energy: 0.8006472943386348
Energy: 0.8399431039955012
Energy: 0.898559948234257
Energy: 0.8688952842981792
Energy: 0.841108763044146
Energy: 0.8733083113688178
Energy: 0.8633662783839209
Energy: 0.8393598750921925
Energy: 0.8344665438688262
Energy: 0.8341576502659093
Energy: 0.8388042837105331
Energy: 0.8343955937398891
Energy: 0.8280145814151311
Energy: 0.8373093687068737
Energy: 0.8240020321716358
Energy: 0.8359463211733063
Energy: 0.8376416965334633
Energy: 0.8281930154702728
Energy: 0.8388792778929413
Energy: 0.8590031467562362
Energy: 0.8368718076269456
Energy: 0.8319574977725768
Energy: 0.8384293996487028
Energy: 0.8372351965049657
Energy: 0.8321363006579041
Energy: 0.856444741499473
Energy: 0.825796507242517
Energy: 0.8404144036414841
Energy: 0.8320118976781794
Energy: 0.837975905606744
Energy: 0.834842231764874
Energy: 0.8583507666926982
Energy: 0.8432299179847469
Energy: 0.8510708244857246
Energy: 0.8371565179036914
Energy: 0.8390935858402582
Energy: 0.8195923980599146
Energy: 0.903207781942955
Energy: 0.8408883312148477
Energy: 0.8511824666361768
Energy: 0.8340340701019917
Energy: 0.8421600651018414
Energy: 0.7926811928575763

minimum gb energy = 0.7701422143168078 eV
minimum distance =  2.36783929926609 Angstroms
sigma value = 57


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

Energy: 0.39259189243111114
Energy: 0.40886509801997745
Energy: 0.47057638881738406
Energy: 0.3958619985629158
Energy: 1.3949554910395527
Energy: 0.44781226788518935
Energy: 0.3935394065712613
Energy: 0.4143298050472064
Energy: 0.4129917925968275
Energy: 0.4482220381682763
Energy: 0.451637501921914
Energy: 0.45573866661796647
Energy: 0.5118352989900614
Energy: 0.4513540735285927
Energy: 0.4136473094652008
Energy: 0.45169646947235403
Energy: 0.4496165770764845
Energy: 0.4142650510904942
Energy: 0.5115025248604238
Energy: 0.45000508006381457
Energy: 0.4136442242159839
Energy: 0.4529202744003666
Energy: 0.4499293977103935
Energy: 0.46735186304356
Energy: 0.5099883129859949
Energy: 0.4413564447503457
Energy: 0.4698588049498306
Energy: 0.5118201135669219
Energy: 0.39335200492378636
Energy: 0.41321093865466346
Energy: 0.4509344588344158
Energy: 0.39374565664856037
Energy: 0.458759307782015
Energy: 0.450401579865826
Energy: 0.39436687621052957
Energy: 0.4567370538166038
Energy: 0.4459068254374406
Energy: 0.4148233027071893
Energy: 0.41244118939534846
Energy: 0.4477088856813337
Energy: 0.41385319700651824
Energy: 0.4664039677420526
Energy: 0.4499124161525967
Energy: 0.41424510426139527
Energy: 0.41464520218791684
Energy: 0.45008819870883393
Energy: 0.4162286280152543
Energy: 0.41338866502971117
Energy: 0.5083603687874684
Energy: 0.47143190343232183
Energy: 0.46964286802236843
Energy: 0.44908364024378655
Energy: 0.45082571617804834
Energy: 0.4130027410774759
Energy: 0.394449813974099
Energy: 0.41893643163999067
Energy: 0.45502518150362187
Energy: 0.3944228349911921
Energy: 0.4506754808114355
Energy: 0.46720518802915423
Energy: 0.3938469522968562
Energy: 0.4129496261982552
Energy: 0.4132669040919526
Energy: 0.3935814774049799
Energy: 0.41473396535641655
Energy: 0.39430522808532303
Energy: 0.5115615133254137
Energy: 0.4502025673655369
Energy: 0.4667061522332751
Energy: 0.45090794231799114
Energy: 0.45118240954242944
Energy: 0.44572339936920746
Energy: 0.8087268994494424
Energy: 0.4120545958448085
Energy: 0.46911797344695644
Energy: 0.41452219627663817
Energy: 0.4117040991699414
Energy: 0.46601730659941154
Energy: 0.5096065975635693
Energy: 0.44984403958069613
Energy: 0.46791550890387823
Energy: 0.4536377162062346
Energy: 0.4511478765125655
Energy: 0.44731570400607584
Energy: 0.4123136891286611
Energy: 0.39498067980854623
Energy: 0.44418752082301766
Energy: 0.412327807731541
Energy: 0.399970259599424
Energy: 0.46063108754580867
Energy: 0.45039943088210943
Energy: 0.41407711127204727
Energy: 0.448024859223158
Energy: 0.45117983252723415
Energy: 0.3937039551543831
Energy: 0.4561408574694898
Energy: 0.45010169407148376
Energy: 0.458136985743927
Energy: 0.47297414621488815
Energy: 0.45003282415513274
Energy: 0.45261890462225846
Energy: 0.4133335893811799
Energy: 0.5155795696484257
Energy: 0.41626850318679165
Energy: 0.4144723962885006
Energy: 0.511697319971852
Energy: 0.4164083630684374
Energy: 0.41323412762759987
Energy: 0.39346008491501344
Energy: 0.41229272495805347
Energy: 0.41258771061717353
Energy: 0.3936482763979375
Energy: 0.4153354672702219
Energy: 0.4681722529405435

minimum gb energy = 0.39259189243111114 eV
minimum distance =  2.41224946976155 Angstroms
sigma value = 11


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

Energy: 1.3124621064007589
Energy: 0.6617635250415975
Energy: 0.7915351783365813
Energy: 0.8084637781684396
Energy: 0.7830813107538351
Energy: 0.7931934932617956
Energy: 0.6726929704440192
Energy: 0.7294714434296846
Energy: 0.697457340160035
Energy: 0.6707695740500416
Energy: 0.6552845047582633
Energy: 0.6649589678224485
Energy: 0.6628039550458739
Energy: 0.6601802818826077
Energy: 0.6956219555432847
Energy: 0.6651841216365751
Energy: 0.6756537448700145
Energy: 0.6766467297711244
Energy: 0.6629341932312736
Energy: 0.70461847556038
Energy: 0.6776160800026321
Energy: 0.6650064014568797
Energy: 0.6610940624463075
Energy: 0.6970586435959798
Energy: 0.6583201130111254
Energy: 0.7984276531356106
Energy: 0.7955628338339704
Energy: 0.6599597380293912
Energy: 0.7388180181861191
Energy: 0.6863837845676664
Energy: 0.7033336439836475
Energy: 0.756527670471972
Energy: 0.7403618644590727
Energy: 0.7883924824275923
Energy: 0.6773186246417233
Energy: 0.8034701423425508
Energy: 0.6989005612628144
Energy: 0.6807925938027268
Energy: 0.695066087670181
Energy: 0.6608064163742252
Energy: 0.6721380503077848
Energy: 0.6710588891631544
Energy: 0.6956004240749257
Energy: 0.7769815467281662
Energy: 0.7675163939108395
Energy: 0.6972253052802521
Energy: 0.7730158529029235
Energy: 0.6611290178877683
Energy: 0.6995119085827322
Energy: 0.6840194138395844
Energy: 0.759414450523671
Energy: 0.6723806393196687
Energy: 0.7599582640564577
Energy: 0.7638327607954217
Energy: 1.177414765781085
Energy: 0.7837091543891418
Energy: 0.7967839921745833
Energy: 0.6669590518408828
Energy: 0.7349993147306392
Energy: 0.7396159097670514
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Energy: 0.7263470691691036
Energy: 0.8002987991160475
Energy: 0.6807968376067423
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Energy: 0.7979058369676966
Energy: 0.6989885264809408
Energy: 0.6547417449578292
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Energy: 0.6456970704947235
Energy: 0.707734529367511
Energy: 0.9250719562845782
Energy: 0.6546571278975503
Energy: 0.733565085320617
Energy: 0.9261630447020059
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Energy: 0.6735177656611332
Energy: 0.8803123907166065
Energy: 0.7980869268141269
Energy: 0.794816998821465
Energy: 0.8818263901379947
Energy: 0.7948159606653042
Energy: 0.7953241594228176
Energy: 0.873729714327242
Energy: 0.7617259047269775
Energy: 0.7391447832604765
Energy: 0.7847354860719734
Energy: 0.747342285302979
Energy: 0.731979233268783
Energy: 0.9698660349411102
Energy: 0.7979458936778167
Energy: 0.7953815271046826
Energy: 0.83766585143323
Energy: 0.8466235214706516
Energy: 0.7956794516872249
Energy: 1.171355525812858
Energy: 0.7445954651967643
Energy: 0.6973823704957932
Energy: 0.6591606349887241
Energy: 0.8600942418474176
Energy: 0.6613381483791104
Energy: 1.2201455749940284
Energy: 0.7898382737580792
Energy: 0.7915737456252794
Energy: 0.8687217947034024
Energy: 0.7839545017595156
Energy: 0.7951848240706743
Energy: 0.973527473218259
Energy: 0.7515653945430426
Energy: 0.759325110549096
Energy: 0.7557591890194201
Energy: 0.7362530832980394
Energy: 0.7584959148659559
Energy: 0.8955505533700626
Energy: 0.796460571845966
Energy: 0.7897250746512792
Energy: 0.6757124682019383
Energy: 0.7899391704870711
Energy: 0.7844121686209254
Energy: 0.9698406715579131
Energy: 0.7985799884143433
Energy: 0.7505852366572263
Energy: 0.7590695859412067
Energy: 0.8066294232323101
Energy: 0.7264637660263961
Energy: 1.0485761018688062
Energy: 0.8046814543493919
Energy: 0.6719503030849838
Energy: 1.0216420934866322
Energy: 0.7293066669962073
Energy: 0.7837320632972321
Energy: 0.7585919501131714
Energy: 0.7634912164633955
Energy: 0.7565514594368126
Energy: 0.7605294256263387
Energy: 0.7375086241851955
Energy: 0.7525533936427787
Energy: 0.7765676539493015
Energy: 0.6676720631580396
Energy: 0.68455215761323
Energy: 0.7752412006155904
Energy: 0.6731032199804228
Energy: 0.660406520400929
Energy: 0.6580450163714279
Energy: 0.6680076714936242
Energy: 0.722577703346437
Energy: 0.698456985098512
Energy: 0.662369632253499
Energy: 0.6976400673424206
Energy: 0.727290853738901
Energy: 0.6861138647952781
Energy: 0.7570632525910903
Energy: 0.7910456627999899
Energy: 0.6507926802476434
Energy: 0.8002814123695504

minimum gb energy = 0.6456970704947235 eV
minimum distance =  2.37279775926048 Angstroms
sigma value = 41


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

Energy: 1.2131767169281662
Energy: 0.854834177964782
Energy: 0.7215705091390675
Energy: 0.7595374274977917
Energy: 0.8323772095792203
Energy: 0.9006071173458503
Energy: 0.792678559453683
Energy: 0.7176319474905353
Energy: 0.7221296510115883
Energy: 0.7340451435702672
Energy: 0.6992900189140424
Energy: 0.7009435620031726
Energy: 0.8436649306232538
Energy: 0.7087030642366762
Energy: 0.7017270801581186
Energy: 0.7291854117462577
Energy: 0.7092131840382631
Energy: 0.8601551850925097
Energy: 0.8465818373201013
Energy: 0.7315774980836761
Energy: 0.74646763754962
Energy: 0.8736831580847719
Energy: 0.7029672760003622
Energy: 0.7383638116055228
Energy: 0.8423007456267096
Energy: 0.838159603500997
Energy: 0.9010439168085861
Energy: 0.870365261756333
Energy: 0.8191294794516047
Energy: 0.7746434813409178
Energy: 1.0292345394063358
Energy: 0.8370533475610381
Energy: 0.8638671498135293
Energy: 0.8020901261494437
Energy: 0.8400993967337266
Energy: 0.8577176740936059
Energy: 1.032999114353995
Energy: 0.7130541729531694
Energy: 0.7006789102443036
Energy: 0.7255847988054899
Energy: 0.7322610680492099
Energy: 0.7006325010464659
Energy: 0.8490799983679991
Energy: 0.8766240371838729
Energy: 0.9079699591717548
Energy: 0.8355281987910704
Energy: 0.9035434676306126
Energy: 0.8214878968325752
Energy: 1.0355623159006406
Energy: 0.8570105172671417
Energy: 0.7016273927028819
Energy: 0.7424645342318347
Energy: 0.9036190090708951
Energy: 0.9151577076504435
Energy: 0.8938757464759286
Energy: 0.9049010750816084
Energy: 0.9052430296033265
Energy: 0.8308874359772697
Energy: 0.9186108413348597
Energy: 0.8986693761431483
Energy: 0.8942344218900915
Energy: 0.8568030994059987
Energy: 0.9509317587850271
Energy: 0.8338716316242575
Energy: 0.9043294265091637
Energy: 0.9572882688292278
Energy: 1.0356755975223282
Energy: 0.7886928701490784
Energy: 0.851005246679548
Energy: 0.7822550604361869
Energy: 0.811612188469239
Energy: 0.8375594209529712
Energy: 0.9298983498383053
Energy: 0.7790921764998544
Energy: 0.8069103505505506
Energy: 0.9297979032892577
Energy: 0.7825315689887157
Energy: 0.8464210192753587
Energy: 1.014210243492055
Energy: 0.8534872682436921
Energy: 0.8528502052528368
Energy: 1.019615689052596
Energy: 0.8519924527264187
Energy: 0.8364093897416054
Energy: 1.0614645416729438
Energy: 0.8988394886293177
Energy: 0.9337957550607054
Energy: 1.0622736379102249
Energy: 0.9346460959234407
Energy: 0.9108338064675401
Energy: 0.894557609455789
Energy: 0.8529306935574673
Energy: 0.8353948612646138
Energy: 0.8879790463512212
Energy: 0.8444445245358576
Energy: 0.8765787703532287
Energy: 1.5217080337223836
Energy: 0.8620382952950713
Energy: 0.7213902313581432
Energy: 0.6974442083589704
Energy: 0.8637520845677346
Energy: 0.7575836209669933
Energy: 0.7291333664147849
Energy: 0.8522856172754447
Energy: 0.8352408568600196
Energy: 0.9712460134620129
Energy: 0.8366899197183422
Energy: 0.6962319768129948
Energy: 0.9070686769203103
Energy: 0.8468827379603547
Energy: 0.8696603929954011
Energy: 0.9019450084223213
Energy: 0.846072200068492
Energy: 0.873701673757175
Energy: 0.9122547252520697
Energy: 0.8301633118836214
Energy: 0.8886837202941146
Energy: 0.9127540768745844
Energy: 0.8463235293703449
Energy: 0.8954730427218086
Energy: 0.892359564181219
Energy: 0.8365239641359077
Energy: 0.8358499248792762
Energy: 0.8853115579591366
Energy: 0.8404601762106597
Energy: 0.8354584552158622
Energy: 1.1995656785588757
Energy: 0.900594167365992
Energy: 0.9080454552763563
Energy: 1.021265663205353
Energy: 0.8656597286766134
Energy: 0.8973295416617653
Energy: 1.0347126859560298
Energy: 0.8374621311646461
Energy: 0.8358071620271869
Energy: 0.8860680287232957
Energy: 0.8814420970890527
Energy: 0.8358080865851691
Energy: 0.8493043728488927
Energy: 0.911596321843552
Energy: 0.9162410615273887
Energy: 0.8356818366942087
Energy: 0.9511086206261401
Energy: 0.7967622247734716
Energy: 1.0336783111927506
Energy: 0.8895368228110723
Energy: 0.8421962603255896
Energy: 0.8857481421006136
Energy: 0.8912662224174966
Energy: 0.8752403703700258
Energy: 0.8938790187107594
Energy: 0.878572636706905
Energy: 0.7234244152468619
Energy: 0.8345063873795655
Energy: 0.8564965500677116
Energy: 0.872465908264978
Energy: 0.8942297689870422
Energy: 0.8208640626929019
Energy: 0.7372738999571249
Energy: 0.8304473584860312
Energy: 0.8465602075252362
Energy: 0.7426651026056649
Energy: 1.0350169257495876
Energy: 0.7868226459393053
Energy: 0.7235931714983466
Energy: 0.7491358046740075
Energy: 0.7903209369060427
Energy: 0.7525957479898725
Energy: 0.9607372850726935
Energy: 0.8600504593582035
Energy: 0.8713587037192492
Energy: 0.8741554723985057
Energy: 0.7777475075216038
Energy: 0.870865467177787
Energy: 0.955944143085876
Energy: 0.724255095062607
Energy: 0.8241873987089523
Energy: 0.9891884685368791
Energy: 0.8246105989896959
Energy: 0.8401008120032523
Energy: 1.0018071449088983
Energy: 0.7029582453173749
Energy: 0.8758426390806765
Energy: 1.0312622710182695
Energy: 0.7074657000757215
Energy: 0.8546972371840178
Energy: 0.8422918460151201
Energy: 0.7024522382129711
Energy: 0.7191904995700152
Energy: 0.7352789601018649
Energy: 0.7030884457696888
Energy: 0.7586155291738829
Energy: 0.8793691949133282
Energy: 0.7346001215412207
Energy: 0.7082874747707041
Energy: 0.701610761884668
Energy: 0.7188042501539964
Energy: 0.800471620507598

minimum gb energy = 0.6962319768129948 eV
minimum distance =  2.27529777675657 Angstroms
sigma value = 33


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

Energy: 1.0624972670057797
Energy: 0.9660255870164857
Energy: 0.9061246062335535
Energy: 0.9859024048543733
Energy: 0.8461566917298786
Energy: 0.901050182006251
Energy: 0.8398299312076287
Energy: 0.7929811949652743
Energy: 0.792601196103767
Energy: 0.8041028432466023
Energy: 0.7681680422625281
Energy: 0.7745262933281473
Energy: 0.8833327712428343
Energy: 0.8579279048139402
Energy: 0.7905711513597659
Energy: 0.7802117946531886
Energy: 0.7658118137032748
Energy: 0.869366687646219
Energy: 0.8748740013872958
Energy: 0.8213572858577459
Energy: 0.7933694834862761
Energy: 0.8893332396169659
Energy: 0.7931777194910016
Energy: 0.7832090282772683
Energy: 0.8614081774879871
Energy: 0.867224096102175
Energy: 0.8779505560818409
Energy: 0.8817209241266547
Energy: 0.8363116389305612
Energy: 0.8182486439550923
Energy: 0.9358448192140236
Energy: 0.8333817720036931
Energy: 0.8448197017039965
Energy: 0.8013447697704384
Energy: 0.8547057000231898
Energy: 0.8597590853432002
Energy: 0.9253493164561831
Energy: 0.7705942289166344
Energy: 0.8293914673694682
Energy: 0.7896141774999189
Energy: 0.7849841997081439
Energy: 0.8834188321188193
Energy: 0.8741097495443992
Energy: 0.7720620709451035
Energy: 0.8308058242702759
Energy: 0.8525194177491037
Energy: 0.9236459034660756
Energy: 0.8269608953563193
Energy: 0.92421984803001
Energy: 0.8552228644043144
Energy: 0.8713085135652129
Energy: 0.9013336080087863
Energy: 0.857738846243372
Energy: 0.9286603149744186
Energy: 0.9299777244488486
Energy: 0.9071608431443768
Energy: 0.909419785229871
Energy: 0.8837937998426338
Energy: 0.9246805771830234
Energy: 0.890637878946795
Energy: 0.9342729946982399
Energy: 0.9184397527672449
Energy: 0.916003066121343
Energy: 0.8681637673004325
Energy: 0.9424072302219426
Energy: 0.8711242122594635
Energy: 0.9337666857153076
Energy: 0.7331387414340751
Energy: 0.733260527718525
Energy: 0.910906344777315
Energy: 0.7419313900276795
Energy: 0.7543785434615963
Energy: 0.8932157489466913
Energy: 0.7390013107053917
Energy: 0.7335893308131746
Energy: 0.8530798502478435
Energy: 0.7406934118858168
Energy: 0.7326761511197524
Energy: 0.9021882905412867
Energy: 0.911491776237489
Energy: 0.8733092046109662
Energy: 0.8655139112789999
Energy: 0.9052640738185764
Energy: 0.870919975018233
Energy: 0.8098983474137162
Energy: 1.0223138471148132
Energy: 0.8849811000918174
Energy: 0.9023108074133986
Energy: 1.020690126064213
Energy: 0.8822068499085242
Energy: 0.8915155206818869
Energy: 0.8856175215175977
Energy: 0.8866217045237806
Energy: 0.8683535200522249
Energy: 0.8904249860329129
Energy: 0.8806320462690244
Energy: 0.8897022318997525
Energy: 0.9131940792610106
Energy: 0.8525515778575418
Energy: 0.8534343956680506
Energy: 0.8967358464378692
Energy: 0.8506717844972159
Energy: 0.8874714720425988
Energy: 0.9278625178202147
Energy: 0.9123126267686802
Energy: 0.8871981245942427
Energy: 0.9356776075790839
Energy: 0.8783067161065117
Energy: 0.9310756866864973
Energy: 0.908947374397901
Energy: 0.8005896573350455
Energy: 0.8977445488726378
Energy: 0.8503046693648908
Energy: 0.9155547041386749
Energy: 0.8627536015267602
Energy: 0.7938674924888273
Energy: 0.8014465056644904
Energy: 0.8622535841148089
Energy: 0.8512248417892821
Energy: 0.9141231572250337
Energy: 0.8666435530831478
Energy: 0.91905960785884
Energy: 0.8599520881366123
Energy: 0.8674764098788758
Energy: 0.9174789730282104
Energy: 0.8771044702446456
Energy: 0.9360947885456578
Energy: 0.9081201812020266
Energy: 0.9268875182298413
Energy: 0.937663183791139
Energy: 0.9098549623514328
Energy: 0.9343132486553996
Energy: 0.8987255321180235
Energy: 0.8974876818720215
Energy: 0.8775291313754043
Energy: 0.8519497596137633
Energy: 0.8643956937989816
Energy: 0.9102756876064975
Energy: 0.8099760593495635
Energy: 0.9123076328029841
Energy: 0.830959034483658
Energy: 0.7343635955302257
Energy: 0.9102967279906864
Energy: 0.8318694382621088
Energy: 0.7969121541477201
Energy: 0.8833270115848921
Energy: 0.883146533359326
Energy: 0.7689729137477217
Energy: 0.8560217377333735
Energy: 0.8826275551445214
Energy: 0.91928655199114
Energy: 0.8668831193933545
Energy: 0.880549595164312
Energy: 0.9184866412013395
Energy: 0.8713814175801126
Energy: 0.8819782594364102
Energy: 0.921961682606019
Energy: 0.8807925354066052
Energy: 0.9050155212230083
Energy: 0.9178780656625142
Energy: 0.8733019465540043
Energy: 0.8937888157921283
Energy: 0.89623484922597
Energy: 0.8975140124067584
Energy: 0.8798556992893644
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Energy: 0.8336000628968168
Energy: 0.8846712611988208
Energy: 0.9896947440866348
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Energy: 0.8432936048553934
Energy: 0.9956906497690446
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Energy: 0.956015360552468
Energy: 0.898462461182154
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Energy: 0.9103367319995672
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Energy: 0.8688469458731142
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Energy: 0.8593805391582685
Energy: 0.8695405730788025
Energy: 0.8642557886709985
Energy: 0.8881090720280497
Energy: 0.9408998646797442
Energy: 0.919815599711491
Energy: 0.8769356985261666
Energy: 0.8704352297893805
Energy: 0.9128014113858959
Energy: 0.8768458744535027
Energy: 0.9279365448309373
Energy: 0.7887616819853511
Energy: 0.8470215877847924
Energy: 0.907130109234799
Energy: 0.7430100629652109
Energy: 0.933803582693512
Energy: 0.9476965864230443
Energy: 0.7380434643453617
Energy: 0.7353142469971314
Energy: 0.9117853791612461
Energy: 0.7356725418118549
Energy: 0.8318043462629907
Energy: 0.8967840271073027
Energy: 0.9099498901896331
Energy: 0.9091418799346453
Energy: 0.8648382107735574
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Energy: 0.8688355407137947
Energy: 0.8504524422758671
Energy: 0.9031081661447325
Energy: 0.9184070393570022
Energy: 0.8497485906820739
Energy: 0.9078924106915183
Energy: 0.9185369544233477
Energy: 0.8983375445638597
Energy: 0.8853148420543445
Energy: 0.8781362495667006
Energy: 0.868684730067852
Energy: 0.8945860571937632
Energy: 0.8859527211900498
Energy: 0.8864758064911764
Energy: 0.8954585856733462
Energy: 0.8408107659661036
Energy: 0.8544265840779134
Energy: 0.8922132071100741
Energy: 0.8457356855713757
Energy: 0.8881135955727936
Energy: 0.8506326532585492
Energy: 0.8364870532513284
Energy: 0.8716851223697937
Energy: 0.7924064329656757
Energy: 0.7486471685478598
Energy: 0.9044619133868995
Energy: 0.9030929295518902
Energy: 0.7952206946074865
Energy: 0.8418790146648523
Energy: 0.8744111635741469
Energy: 0.8815922627959643
Energy: 0.8451483196932883
Energy: 0.7943411374860917
Energy: 0.8038815967671725
Energy: 0.7537405454836075
Energy: 0.8765090279615848
Energy: 0.8034468038138874
Energy: 0.823465751863535
Energy: 0.8416538434923401
Energy: 0.80416536012075
Energy: 0.8445501044379493
Energy: 0.8359645110950621
Energy: 0.7530912236911222
Energy: 0.9235293834927445
Energy: 0.7824279784944814
Energy: 0.9320734569901047
Energy: 0.9406220108949055
Energy: 0.8793326292401187
Energy: 0.9240224075264996
Energy: 0.8577399301071182
Energy: 0.8238952292882242
Energy: 0.7851940217426235
Energy: 0.7931018718267996
Energy: 0.7727281453716861
Energy: 0.781250299834369
Energy: 0.8386766014167985
Energy: 0.8375360430022245
Energy: 0.8305901481470501
Energy: 0.7474195385108376
Energy: 0.8186477114074135
Energy: 0.8252513148706622

minimum gb energy = 0.7326761511197524 eV
minimum distance =  2.24922444971858 Angstroms
sigma value = 67


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

Energy: 1.163091889893135
Energy: 0.8584669151889163
Energy: 0.8563119933342936
Energy: 1.1581238401477532
Energy: 0.8504178068929585
Energy: 0.857191780803894
Energy: 0.8678172138418044
Energy: 0.8130817918071876
Energy: 0.8123648571618066
Energy: 0.832650676465456
Energy: 0.8302657691527091
Energy: 0.8105335965103218
Energy: 0.8281870999921013
Energy: 0.8061794012461311
Energy: 0.8088266495599487
Energy: 0.8094313369723602
Energy: 0.8062312401529831
Energy: 0.8089189204771889
Energy: 0.8259910233092259
Energy: 0.8093092260322271
Energy: 0.8349194633164534
Energy: 0.825634887625123
Energy: 0.8123077592973532
Energy: 0.8095811093575708
Energy: 0.8305388059993623
Energy: 0.809791749807584
Energy: 0.8095674961655538
Energy: 0.8309087397868039
Energy: 0.8100528489870604
Energy: 0.810364941174058
Energy: 0.8429189907423482
Energy: 0.8445651760581787
Energy: 0.8098582794275203
Energy: 0.8454629567948432
Energy: 0.8313812767891826
Energy: 0.8112472980512079
Energy: 0.8680446595801323
Energy: 0.8124719547338722
Energy: 0.812331067254934
Energy: 0.8683803785139036
Energy: 0.8303876540003108
Energy: 0.8120037184857912

minimum gb energy = 0.8061794012461311 eV
minimum distance =  2.41434671920922 Angstroms
sigma value = 3


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

Energy: 1.4904422547103993
Energy: 0.9561708518313601
Energy: 0.8879705480627748
Energy: 0.8579521165474426
Energy: 1.515036132291207
Energy: 0.8767835917515642
Energy: 0.9384544127075528
Energy: 0.8983787784898106
Energy: 0.899774761371795
Energy: 0.9288715836053352
Energy: 0.9853732340801704
Energy: 0.9019885743126052
Energy: 0.9114912080457317
Energy: 0.9351955995508286
Energy: 0.936687331387401
Energy: 0.9052687853523111
Energy: 0.9326346005090911
Energy: 0.904375053045181
Energy: 0.9135864457898752
Energy: 0.9061422031639331
Energy: 0.9048115425954069
Energy: 0.9107086288932499
Energy: 0.9285731647513902
Energy: 0.8999674145917254
Energy: 0.9264546768122436
Energy: 0.895327249076898
Energy: 0.8963530056992068
Energy: 0.9271172254465261
Energy: 0.9349397078084895
Energy: 0.9117825125115491
Energy: 0.9103182184227563
Energy: 0.910161383113827
Energy: 0.911330167907576
Energy: 0.9106462625941495
Energy: 0.9494372604116801
Energy: 0.9114756568977691
Energy: 0.91498705056761
Energy: 0.9761231052368936
Energy: 0.934344450854392
Energy: 0.8897338125421999
Energy: 0.9658310862001235
Energy: 0.8721597461333155
Energy: 1.4014517619933848
Energy: 0.9667551161451113
Energy: 0.8739091767269261
Energy: 0.9024693212244683
Energy: 1.0010893121282785
Energy: 0.9195469110472625
Energy: 0.9186650800970635
Energy: 0.8891566710217098
Energy: 0.9613786816654867
Energy: 0.8977487740691497
Energy: 0.8833184225583521
Energy: 0.9594976309362285
Energy: 0.9198675264405024
Energy: 0.8635444254210602
Energy: 0.861108091019885
Energy: 0.9113377320640333
Energy: 0.8615401173207737
Energy: 0.929114617451551
Energy: 0.961343654103911
Energy: 0.8503239861746962
Energy: 0.9435790733536479
Energy: 0.9618067088399898
Energy: 0.8607915836981638
Energy: 0.929327359170608
Energy: 0.9622725203524043
Energy: 0.9020771664363316
Energy: 0.9132747083163406
Energy: 0.9768610985656039
Energy: 0.9081990342414413
Energy: 0.9007394301092678
Energy: 0.9152067469419227
Energy: 0.9102751019129962
Energy: 0.9140175568450732
Energy: 0.9137251984981799
Energy: 0.9109707545405699
Energy: 0.9127577456172099
Energy: 0.9066525199156081
Energy: 0.9198992543143708
Energy: 0.9099312149279285
Energy: 0.8881073872218301
Energy: 0.9131041564308241
Energy: 0.9064746085505875
Energy: 0.9674786023953102
Energy: 1.127750114672469
Energy: 0.9101518132438854
Energy: 0.9619412734136057
Energy: 1.1247521546854866
Energy: 0.9025788905006428
Energy: 1.0716316028332644
Energy: 0.9285445125096055
Energy: 0.8924476519306015
Energy: 1.0590284008965452
Energy: 0.9393931292427925
Energy: 0.8968082770544351
Energy: 1.0076194196846788
Energy: 0.9009463529088781
Energy: 0.9068392141119758
Energy: 1.007965014461243
Energy: 0.9013932024329124
Energy: 0.9402818303159898
Energy: 1.0213149292779806
Energy: 0.9387007220237442
Energy: 0.9330447326337078
Energy: 1.0105527887239258
Energy: 0.9279791783923899
Energy: 0.9681568445588443
Energy: 1.1179272404894518
Energy: 0.9074958682137625
Energy: 0.9086131644743881
Energy: 0.9681442521340285
Energy: 0.9010452940232854
Energy: 0.8599744197214596
Energy: 1.0095741010748647
Energy: 0.8697884748383676
Energy: 0.890807762335477
Energy: 0.975399253403011
Energy: 0.8784580714585055
Energy: 0.8592871133085126
Energy: 0.9005845931374684
Energy: 0.895573478359073
Energy: 0.9220896326432064
Energy: 0.8999649523973012
Energy: 0.9185386031889898
Energy: 0.9126274413470917
Energy: 0.9022186050863518
Energy: 0.9173134889975967
Energy: 0.9159259791807534
Energy: 0.9036589826434985
Energy: 0.9169522938437558
Energy: 0.9170134741798064
Energy: 0.9066793588426717
Energy: 0.9165008244051102
Energy: 0.9025229136158045
Energy: 0.9085377224372027
Energy: 0.9143081683370002
Energy: 0.9277856917468724
Energy: 0.8623413314077832
Energy: 0.9018113705485145
Energy: 0.9028075606464309
Energy: 0.863417997759126
Energy: 0.9018608852851335
Energy: 0.8721771915830645
Energy: 0.9106075564818537
Energy: 0.9072207813917492
Energy: 0.9063690243231532
Energy: 0.9418564741974964
Energy: 0.9090658401786488
Energy: 0.9116111828597646
Energy: 1.1409345333658893
Energy: 0.9741586653440354
Energy: 0.8759975675657352
Energy: 0.9313008952612156
Energy: 1.0246083149045027
Energy: 0.9463922063994562
Energy: 0.8875598990328384
Energy: 0.9810154322642252
Energy: 0.8793556925577573
Energy: 0.9286514645416513
Energy: 1.017331405861431
Energy: 0.9458886069131115
Energy: 0.9133004965095247
Energy: 0.8950755731200535
Energy: 0.8982715385928378
Energy: 0.973381945593795
Energy: 0.9191976973539341
Energy: 0.9189420144873598
Energy: 0.9027801439928036
Energy: 0.9354955458021474
Energy: 0.9391229622295231
Energy: 0.9035620539081359
Energy: 0.9321708811439582
Energy: 0.9026248462010826
Energy: 0.9125140380580269
Energy: 0.8912690642115007
Energy: 0.9072374957515578
Energy: 0.9145644110370547
Energy: 0.9146432990034604
Energy: 0.9115358530381926
Energy: 0.9119266314703726
Energy: 0.9120880770942879
Energy: 0.9125237700825891
Energy: 0.9113591173941435
Energy: 0.9133753432476618
Energy: 0.9137740701987838
Energy: 0.922716162413045
Energy: 0.9339474041134646
Energy: 0.8681279835791328
Energy: 0.8966139225515114
Energy: 0.9653690247278607
Energy: 0.8836853812760638
Energy: 1.0738357569958166
Energy: 0.9271064065195531
Energy: 0.9271827719187627
Energy: 0.9199235556804676
Energy: 0.9251365708327934
Energy: 0.9047658247625182
Energy: 1.0382146053385706
Energy: 0.9815690093622498
Energy: 0.9367033597751413
Energy: 0.9511124317559676
Energy: 0.9575467402046628
Energy: 0.9355399114384428
Energy: 0.911217515812539
Energy: 0.9395548343205675
Energy: 0.9501330479029163
Energy: 0.8968884740167644
Energy: 0.9289525673561424
Energy: 0.9680353572357592
Energy: 0.9180327881188651
Energy: 0.8629200244244697
Energy: 0.8613115333688229
Energy: 0.9185567815147356
Energy: 0.8616798905098517
Energy: 0.9153298364604419
Energy: 0.9755149471647422
Energy: 0.9105110615905168
Energy: 0.8798178149667775
Energy: 0.9771958082536777
Energy: 0.8819922848148417
Energy: 0.8728252391675104
Energy: 1.1672258824755495
Energy: 0.917047417802282
Energy: 0.915524441800904
Energy: 0.921060026211484
Energy: 0.9145863555212373
Energy: 1.1301948030951707
Energy: 0.9094999429020945
Energy: 0.9212661941957011
Energy: 0.9114942078672978
Energy: 0.9014723380179532
Energy: 0.9202285107990513
Energy: 0.9116931363753741
Energy: 0.9647691912245878
Energy: 0.902331069722578
Energy: 0.9049082390590841
Energy: 0.958480889374399
Energy: 0.8999082859963342
Energy: 0.9033996989281663
Energy: 1.0351658572101918
Energy: 0.9128954767695707
Energy: 0.9183455443521541
Energy: 0.9654529076206296
Energy: 0.9491343987107227
Energy: 0.9193822409564445
Energy: 1.0252532109836043
Energy: 0.9177968497585394
Energy: 0.934442750396987
Energy: 1.027255223460496
Energy: 0.9123813954784245
Energy: 0.9088517060593513
Energy: 1.0052636931973522
Energy: 0.9027115738724737
Energy: 0.9022807919263292
Energy: 1.0090825502420664
Energy: 0.9054736407370132
Energy: 0.9480472379725833
Energy: 1.0283352783181068
Energy: 0.942383435810782
Energy: 0.9190426499804026
Energy: 1.0208884222613022
Energy: 0.942851074918538
Energy: 0.9264265627301996
Energy: 1.3194139010162704
Energy: 0.8673407214214537
Energy: 0.9623593029409332
Energy: 0.983391960023628
Energy: 0.8642876648612223
Energy: 0.9628953555552608
Energy: 0.9076502461214112
Energy: 0.9206754842775906
Energy: 0.9259667592126833
Energy: 0.89872662452087
Energy: 0.9056632109564282
Energy: 0.9208083162611976
Energy: 0.9015466384845439
Energy: 0.9170652688285863
Energy: 0.9212802062724357
Energy: 0.9105497541139586
Energy: 0.8980315787798389
Energy: 0.9171628934607999
Energy: 0.9211683234540248
Energy: 0.9185835614816833
Energy: 0.9156668938793684
Energy: 0.9014322314978672
Energy: 0.9220425669359419
Energy: 0.9168016340122288
Energy: 0.8831372496855798
Energy: 0.9066348378573641
Energy: 0.9056738549740968
Energy: 0.8961276921751951
Energy: 0.9090973796844034
Energy: 0.907105873413931
Energy: 0.9058620895725775
Energy: 0.9002840032245067
Energy: 0.8988426417811662
Energy: 0.9061308513726152
Energy: 0.9033401270527276
Energy: 0.9033754624330521
Energy: 0.9365024624901126
Energy: 0.9445565080730641
Energy: 0.915531600596048
Energy: 0.9050083203167458
Energy: 0.9047644820579903
Energy: 0.9639143530413228

minimum gb energy = 0.8503239861746962 eV
minimum distance =  2.36394765751566 Angstroms
sigma value = 81


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

Energy: 1.6312250563595363
Energy: 0.8873802363702314
Energy: 0.8033623567387755
Energy: 0.8023342304968374
Energy: 0.9762239636472501
Energy: 0.8875916073472876
Energy: 0.8816881157171839
Energy: 0.8718893191885929
Energy: 0.9056990436391845
Energy: 0.8875547058807305
Energy: 0.8857613949349519
Energy: 0.9179441186055541
Energy: 0.9796737587713159
Energy: 0.9327917521394746
Energy: 0.9484937774536589
Energy: 0.8738533155954741
Energy: 0.9261073757653959
Energy: 1.0281001507156373
Energy: 0.9604689320240317
Energy: 0.9238166963767263
Energy: 0.9172064678595468
Energy: 0.884807722770714
Energy: 0.898381592892159
Energy: 0.9038629477758154
Energy: 0.9659144091266022
Energy: 0.9035617953911413
Energy: 0.9893759766876614
Energy: 0.8865853148688854
Energy: 0.9040843386633625
Energy: 0.9112372507495698
Energy: 0.9632611685719041
Energy: 0.91564602761316
Energy: 0.9812487166983034
Energy: 0.9697452825847348
Energy: 0.9155394505492597
Energy: 0.9824088091805359
Energy: 0.9568535961740974
Energy: 0.9485160351655475
Energy: 0.9883295092249709
Energy: 0.9240895760662293
Energy: 0.957623447287479
Energy: 0.9875375770563902
Energy: 0.9276014228742235
Energy: 1.028292301395623
Energy: 1.1065560838168758
Energy: 0.8906285909821788
Energy: 1.0478255155786194
Energy: 0.9105869987294289
Energy: 0.9557037501276444
Energy: 0.99274921159234
Energy: 0.9852362375136816
Energy: 1.0147845838154719
Energy: 1.002116792119343
Energy: 0.9410818070588726
Energy: 0.959818762223148
Energy: 0.8279395623895033
Energy: 0.8274372534437484
Energy: 0.9516417884838243
Energy: 0.8279078011909642
Energy: 0.8270157638532332
Energy: 0.9761660735670848
Energy: 0.827489968292355
Energy: 0.8267528573310333
Energy: 0.9655621297907805
Energy: 0.7992831421455694
Energy: 0.9412808882331642
Energy: 0.9021416727823087
Energy: 0.9933686590560485
Energy: 0.9899206099386813
Energy: 0.9024746745353573
Energy: 1.0020634429639943
Energy: 0.9826875950324914
Energy: 0.9056123698243141
Energy: 0.9677203968087075
Energy: 1.0011698195292695
Energy: 0.9005266930391549
Energy: 0.9698034798628948
Energy: 0.9128988215294499
Energy: 0.9726707607957135
Energy: 0.9646907082517895
Energy: 0.9843030566513805
Energy: 0.9703415568532636
Energy: 0.9698290717435821
Energy: 0.9848374112021817
Energy: 1.1102996894766388
Energy: 0.998512580244213
Energy: 0.981669872006049
Energy: 0.9825168382147097
Energy: 0.9873264456276585
Energy: 0.9814959967575875
Energy: 0.9744056779220059
Energy: 0.9845411928711617
Energy: 0.9886280854888446
Energy: 0.9753637353161916
Energy: 0.976341583717811
Energy: 0.9893868590367332
Energy: 1.08021161866542
Energy: 0.8930565954902688
Energy: 0.8937241368328858
Energy: 1.080840166296882
Energy: 0.9315729670863522
Energy: 0.8927443841167745
Energy: 0.9386002788930713
Energy: 1.0241746711833555
Energy: 1.006491588377774
Energy: 1.0077175418746604
Energy: 0.9944767377920606
Energy: 1.0094260477579187
Energy: 1.0131839305528203
Energy: 0.9409571891213412
Energy: 0.8264126714459039
Energy: 0.8274563691040477
Energy: 0.9432073158143475
Energy: 0.8359886821100466
Energy: 0.8350526005710611
Energy: 0.9447352870151614
Energy: 0.8263904496716633
Energy: 0.8267205688122555
Energy: 0.9623294837070835
Energy: 0.8263881032245723
Energy: 0.9401677916038772
Energy: 0.9436589069338281
Energy: 0.9475647882237576
Energy: 1.0067979446022615
Energy: 0.9523705907147524
Energy: 1.0010808925645132
Energy: 0.98376694889221
Energy: 0.9215218639431566
Energy: 0.9095551716452518
Energy: 0.9840313936248402
Energy: 0.9329530074941241
Energy: 0.8793230628773555
Energy: 0.9636093719485622
Energy: 0.9860165136969079
Energy: 1.0010086405586152
Energy: 0.9639680836576027
Energy: 0.9643733008310709
Energy: 0.9859865302017015
Energy: 0.9664815338410747
Energy: 0.9880321595832775
Energy: 0.9770121714927281
Energy: 0.9808847721672845
Energy: 0.9832727981108825
Energy: 0.9761386464988501
Energy: 0.9670908006443967
Energy: 0.9987839372776658
Energy: 0.9901702701314096
Energy: 1.0271305900579866
Energy: 0.9698186408477544
Energy: 0.9828705486405216
Energy: 0.950216830764446
Energy: 1.080367139448489
Energy: 1.0404810293949374
Energy: 0.9619746627169447
Energy: 1.1128927989441164
Energy: 1.038000848936549
Energy: 1.0597651782073214
Energy: 1.1078386142084193
Energy: 1.067250615562895
Energy: 0.9543309935459899
Energy: 1.1268309193711703
Energy: 1.0666965918285396
Energy: 0.9649520803537012
Energy: 0.8282212448048729
Energy: 0.9652335057428179
Energy: 1.0031734821276022
Energy: 0.8345231642717713
Energy: 0.9418065167113533
Energy: 0.9783211023524798
Energy: 0.8232455638476225
Energy: 0.8232558791656494
Energy: 0.968963132209451
Energy: 0.8260690405983684
Energy: 0.8243417350379341
Energy: 0.9662142337469659
Energy: 0.9528374868389234
Energy: 0.9924738330232069
Energy: 0.9598846330247066
Energy: 0.9939143391641518
Energy: 0.9425357047401717
Energy: 0.9035963174721177
Energy: 1.0765220750215414
Energy: 1.0192661580555502
Energy: 0.9256036291927527
Energy: 1.0590556611255737
Energy: 0.922289646626765
Energy: 0.9704395018265778
Energy: 0.9477728419482484
Energy: 0.9433097201903227
Energy: 0.9047457172480975
Energy: 0.9478809023651652
Energy: 0.9803234268825962
Energy: 0.9691267357239044
Energy: 0.9010822912816857
Energy: 0.9730462095135014
Energy: 1.0060795574557608
Energy: 0.8740133164860469
Energy: 0.9863753466527662
Energy: 0.9680776792235622
Energy: 0.8713910117245923
Energy: 0.9902091519440821
Energy: 0.8843025375555287
Energy: 0.9196920100131158
Energy: 0.8734059829009093
Energy: 1.1060240209018946
Energy: 0.9480224261032023
Energy: 0.961565206119948
Energy: 1.025192160644423
Energy: 0.9485325740771803
Energy: 0.9104803375766545
Energy: 1.0751017319842577
Energy: 0.8952384475335018
Energy: 0.8914625177574037
Energy: 0.957599272158058
Energy: 0.8903697520217805
Energy: 1.066088818063553
Energy: 0.9638424546221305
Energy: 0.8905705693651247
Energy: 0.9080712616097062
Energy: 0.8876868106241664
Energy: 0.8847214799196987
Energy: 0.9201362958229549
Energy: 1.0590528125287495
Energy: 0.8970742789058389
Energy: 0.802453488022568
Energy: 0.8284695588690065
Energy: 0.9053723815930593
Energy: 0.8920799817265767

minimum gb energy = 0.7992831421455694 eV
minimum distance =  2.35779623786831 Angstroms
sigma value = 43


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

Energy: 1.6323818566132793
Energy: 0.9923006950508398
Energy: 0.9142944127340755
Energy: 0.9061889004961401
Energy: 1.035241522795731
Energy: 0.8522355188716619
Energy: 0.8569798824851281
Energy: 0.887836240898622
Energy: 0.8835062369093364
Energy: 0.9567588617428194
Energy: 0.8715852574287979
Energy: 0.897651206032628
Energy: 0.8572042901500491
Energy: 0.8873783525273148
Energy: 0.9293756827402349
Energy: 0.8573185666259179
Energy: 0.9149134181850486
Energy: 0.8738926986084138
Energy: 0.8777562992254603
Energy: 0.9416960367071244
Energy: 0.913781615530666
Energy: 0.8743367291217258
Energy: 0.9175211058219718
Energy: 0.875932087930492
Energy: 0.8749075655143574
Energy: 0.8961665452487898
Energy: 0.8841615872220542
Energy: 0.8743591972206349
Energy: 0.8858969228646786
Energy: 0.9006142037360476
Energy: 0.8790214941643443
Energy: 0.8945473534260103
Energy: 0.9026959725499798
Energy: 0.8884469572227622
Energy: 0.874167068217429
Energy: 0.8974636486852655
Energy: 0.8732682362073089
Energy: 0.8755156502655171
Energy: 0.8752295077310631
Energy: 0.8725387445289199
Energy: 0.8757816743510478
Energy: 0.874844303019615
Energy: 0.9957823850606389
Energy: 0.860996671504063
Energy: 0.8610530860874319
Energy: 0.900745775571526
Energy: 0.8601888006734784
Energy: 0.8742182205445983
Energy: 0.8744513457317037
Energy: 0.8774859506832897
Energy: 0.8757192101559302
Energy: 0.8729355107781186
Energy: 0.9284560388219051
Energy: 0.8758523380469572
Energy: 1.12124569574035
Energy: 0.8786946698408595
Energy: 0.8783968187910127
Energy: 1.122038778506404
Energy: 0.8952915901426776
Energy: 0.8780841303381844
Energy: 0.9050574944071493
Energy: 0.8976269426466552
Energy: 0.9331026889025329
Energy: 0.86847045161835
Energy: 0.8854864337697661
Energy: 0.8833528550931935
Energy: 0.918735873069168
Energy: 0.9158816016828951
Energy: 0.8745745356848525
Energy: 0.8892646791019891
Energy: 0.9194651377082074
Energy: 0.8742098510223939
Energy: 0.8999989005500311
Energy: 0.9309042431056028
Energy: 0.8924560468212127
Energy: 0.8975002498777215
Energy: 0.9308379134744393
Energy: 0.8886520158257485
Energy: 0.8990464339236653
Energy: 0.8769674836548267
Energy: 0.9364598297373004
Energy: 0.8665680967871969
Energy: 0.8748781497974428
Energy: 0.8675282523534955
Energy: 0.9061241142781672
Energy: 0.8939288467576035
Energy: 0.887968836344584
Energy: 0.9009462900580866
Energy: 0.8499062476639696
Energy: 0.8811021406431472
Energy: 0.9133032607427143
Energy: 0.9685621559079309
Energy: 0.8817446147946444
Energy: 0.9140354514497407
Energy: 0.8832260970882091
Energy: 0.8966415389030817
Energy: 0.896112687807408
Energy: 0.9039121010931916
Energy: 0.9030230112277414
Energy: 0.8961540509406353
Energy: 0.9567102272675183
Energy: 0.9035853112233206
Energy: 0.8948161115214734
Energy: 0.89900587889773
Energy: 0.9130561616714643
Energy: 0.9155810146679106
Energy: 0.8970073922711911
Energy: 0.9123917237126913
Energy: 1.0518071063266061
Energy: 0.8949201399869315
Energy: 0.8941977864320657
Energy: 0.867853386542452
Energy: 1.0216268631494785
Energy: 0.8748773162859022
Energy: 0.8836641851557259
Energy: 0.8955118948814348
Energy: 0.8985643345158807
Energy: 0.8598678981912481
Energy: 0.9316059130011691
Energy: 0.8749828680401149
Energy: 0.8943635049896476
Energy: 0.9207065148810398
Energy: 0.9734053183800438
Energy: 0.9137038380870025
Energy: 0.8767328880624217
Energy: 0.9029589295087075
Energy: 0.9423506169640434
Energy: 0.8883302355954902
Energy: 0.8888187992980344
Energy: 0.9423831417785095
Energy: 0.8951473047106224
Energy: 1.0397481455317465
Energy: 1.0057286791873075
Energy: 0.9196256146756955
Energy: 0.9350875155289666
Energy: 0.907448824729613
Energy: 0.9014691307914781
Energy: 0.9655306210805511
Energy: 1.0739469148718988
Energy: 0.9011850249198096
Energy: 0.9001393122522048
Energy: 0.912898680278507
Energy: 0.8938048275615115
Energy: 0.9032065273983927
Energy: 0.992899580332792
Energy: 0.8930987487131674
Energy: 0.8963005248810441
Energy: 0.9026759859979614
Energy: 0.8959434463204229
Energy: 0.9004452916012412
Energy: 0.9892583672879779
Energy: 0.8997199489484706
Energy: 0.8892987413663248
Energy: 0.9385278061763607
Energy: 0.8993806549758004
Energy: 0.8710723825775106
Energy: 0.9856020645041135
Energy: 0.8890012392267967
Energy: 0.884337863768407
Energy: 0.8761935025192454
Energy: 0.8925401521979368
Energy: 0.8810170904458473
Energy: 0.9322286666037121
Energy: 0.8536859465169812
Energy: 0.940455221661241
Energy: 0.9317547284968641
Energy: 0.8544112790003008
Energy: 0.8756552759379003
Energy: 0.8364997501570476
Energy: 0.8746658683803011
Energy: 0.874260468934685
Energy: 0.8365836038417059
Energy: 0.9117460366439699
Energy: 0.8734810505019541
Energy: 0.8764891706663888
Energy: 0.8872364000669483
Energy: 0.9404192842255704
Energy: 0.9323832546863473
Energy: 0.8723276227274631
Energy: 0.8768906273439911
Energy: 0.8685482405069261
Energy: 0.9905311602244073
Energy: 0.9137856713428848
Energy: 0.8916343633627751
Energy: 1.1357094690144998
Energy: 0.9256936418874753

minimum gb energy = 0.8364997501570476 eV
minimum distance =  2.32611064339452 Angstroms
sigma value = 57


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

Energy: 1.3749047792450044
Energy: 1.0225373520726775
Energy: 0.9079483106204255
Energy: 1.1013630622544905
Energy: 0.9603625527645167
Energy: 1.0185052923770577
Energy: 0.9398146991994956
Energy: 0.9363510358830447
Energy: 0.9355595490467034
Energy: 0.9022992089015566
Energy: 0.9379299716721076
Energy: 0.8791535352940153
Energy: 1.1894242787688023
Energy: 0.912496574765085
Energy: 0.913879332708685
Energy: 0.9136510106958686
Energy: 0.9136943803696461
Energy: 0.911952889436232
Energy: 1.0606915315242555
Energy: 0.9111909462965662
Energy: 0.9117825310641607
Energy: 0.9088054470893508
Energy: 0.9113766427394341
Energy: 0.9019383920571
Energy: 1.0593036634718604
Energy: 0.9503074657739682
Energy: 1.0180032544128008
Energy: 1.064360569001258
Energy: 0.9506882433968303
Energy: 0.8963405539134802
Energy: 0.9398608193250875
Energy: 1.0039085065838225
Energy: 0.9305943333957452
Energy: 1.0588819418169533
Energy: 1.0173569968701877
Energy: 1.0044261732229145
Energy: 1.0637325298288738
Energy: 1.0165331773526383
Energy: 1.0137670425140006
Energy: 1.0655505389055397
Energy: 1.0187646362253449
Energy: 1.014598656185918
Energy: 0.9533430942923015
Energy: 1.0819654296307315
Energy: 1.0550561235410567
Energy: 0.9658629900208952
Energy: 1.0823901360372177
Energy: 1.0554549574077876
Energy: 1.0509450198880037
Energy: 1.0358061634989426
Energy: 1.0330398164337635
Energy: 1.0507374659426632
Energy: 1.0370349420502245
Energy: 1.065633894009345
Energy: 1.2013819304443674
Energy: 0.9555069560469454
Energy: 0.9582115922563701
Energy: 1.2013551395393818
Energy: 0.9557701014232935
Energy: 0.9568002060980771
Energy: 1.1061328850281784
Energy: 0.9564166901760367
Energy: 1.0170844802008108
Energy: 1.1005361217418543
Energy: 1.010314729457145
Energy: 1.0061970371540105
Energy: 0.8561187426271138
Energy: 1.0213689136582365
Energy: 1.0194857825123544
Energy: 0.8564867653952464
Energy: 1.0210460060014277
Energy: 0.8987089967741626
Energy: 0.8601015486406831
Energy: 1.022167793329304
Energy: 0.9053822190644695
Energy: 0.821034461883493
Energy: 1.020425844876995
Energy: 0.9075317326658018
Energy: 1.1106046197489925
Energy: 1.0212572419699886
Energy: 1.0107524292506624
Energy: 1.1023325204138033
Energy: 1.0713125205060736
Energy: 0.9797671582535168
Energy: 1.166111198343541
Energy: 0.94313946694329
Energy: 0.9608446806019164
Energy: 1.1068302054945585
Energy: 0.9125500137238101
Energy: 0.9530790197628181
Energy: 1.03957988972837
Energy: 1.049076948087668
Energy: 1.0588984323412987
Energy: 1.0396325050464899
Energy: 1.0610024734708883
Energy: 1.0466467296974733
Energy: 1.0733390368115017
Energy: 1.034263652911539
Energy: 1.0366148071205348
Energy: 1.0373480901911425
Energy: 1.0437905654964619
Energy: 1.0361056672434437
Energy: 1.0706381785496002
Energy: 1.0283052993247381
Energy: 1.0065588036071806
Energy: 1.0464080795193889
Energy: 1.0191448410138544
Energy: 1.040915912544231
Energy: 1.0547522929946702
Energy: 1.020501844802893
Energy: 1.0165586812618814
Energy: 1.062056727095001
Energy: 1.0210664053877423
Energy: 1.0160083385370304
Energy: 1.0532916904542788
Energy: 1.0399117341547097
Energy: 1.062793290492504
Energy: 1.0492053617364607
Energy: 1.041181482099787
Energy: 1.0415060106305634
Energy: 1.0659484120821392
Energy: 0.9365791836484494
Energy: 0.9541651199980958
Energy: 1.0747860207548248
Energy: 0.9384442265177226
Energy: 0.8986468171201215
Energy: 1.209393282524645
Energy: 0.9552326170258674
Energy: 0.9975005234115216
Energy: 1.0330606836296146
Energy: 0.9577360937322196
Energy: 1.0000165242954289
Energy: 1.06050239060681
Energy: 0.9371018206229065
Energy: 0.9374429692018834
Energy: 0.9029237653596078
Energy: 0.9362121324154302
Energy: 0.8849291045609122
Energy: 0.9376791615960329
Energy: 0.9042590224323095
Energy: 0.9047861628823974
Energy: 0.8200604623292013
Energy: 1.0972590391786885
Energy: 1.008492150308029

minimum gb energy = 0.8200604623292013 eV
minimum distance =  2.31253692107373 Angstroms
sigma value = 17


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

Energy: 0.812603037426242
Energy: 1.0749329131711605
Energy: 1.0231907589429194
Energy: 0.850710181412331
Energy: 1.0234490747372706
Energy: 0.8766765118567218
Energy: 0.8486986540303132
Energy: 0.9229518065908618
Energy: 0.9191828991324476
Energy: 0.9391338007594999
Energy: 0.9443815408743074
Energy: 0.8229765848037909
Energy: 1.1683312525723035
Energy: 0.8023493652496124
Energy: 0.8015514812411431
Energy: 0.9738342337244658
Energy: 0.7743200412700707
Energy: 0.8030232422342863
Energy: 0.9498452798931251
Energy: 0.771100923088284
Energy: 0.8044968419231414
Energy: 0.9508473836732992
Energy: 0.9670183314152061
Energy: 0.940576184807392
Energy: 0.941397164791295
Energy: 0.8111538649230654
Energy: 0.812161978769327
Energy: 0.9413262365209398
Energy: 0.834366306505354
Energy: 0.7953896166955486
Energy: 0.8530259085000975
Energy: 0.8108127627512232
Energy: 0.8108522996634719
Energy: 0.8044155664733185
Energy: 0.8243101421940263
Energy: 0.8035075482376223
Energy: 0.825985642949572
Energy: 0.8250846675686914
Energy: 0.8251236920249653
Energy: 0.825446848405128
Energy: 0.8274645235029386
Energy: 0.8160004840085111
Energy: 0.8279598978351033
Energy: 0.8025605596137843
Energy: 0.8055501421059863
Energy: 0.8067600643887396
Energy: 0.8035345085546085
Energy: 0.8511659961656013
Energy: 0.8275577819440031
Energy: 0.8073288882386157
Energy: 0.8085030065770205
Energy: 0.8288563429675053
Energy: 0.836045667134175
Energy: 0.8243589229333251
Energy: 0.8257731629923899
Energy: 0.8067442294352338
Energy: 0.8109175437051717
Energy: 0.824652176225045
Energy: 0.7947035945765263
Energy: 0.8104269695564036
Energy: 0.9908430433836806
Energy: 0.7915410596332092
Energy: 0.7925341117567986
Energy: 0.8348598153944935
Energy: 0.941624875239814
Energy: 0.8093534411356554
Energy: 0.9428421340125174
Energy: 0.9437994239705984
Energy: 0.9422344048748705
Energy: 0.940696169442376
Energy: 0.9460000776160468
Energy: 0.9408451566385612
Energy: 0.942347680042149
Energy: 0.9193663688441568
Energy: 0.9185872816403121
Energy: 0.8111552839916224
Energy: 1.0757699135313015
Energy: 0.8832766020878465
Energy: 0.9648181288682339
Energy: 0.919667760631452
Energy: 0.919833557178845
Energy: 0.9613009466619392
Energy: 0.9410036114673104
Energy: 0.8228297293210103
Energy: 0.9451748377568339
Energy: 0.918801533277805
Energy: 0.9168616710433964
Energy: 0.885421874442637
Energy: 0.9168080557593052
Energy: 0.9319765272059576
Energy: 0.9076543060267965
Energy: 0.9305436809040515
Energy: 0.8254682318457444
Energy: 0.9422730044798283
Energy: 0.9381291860103791
Energy: 0.9192054899066862
Energy: 0.9285927540205805
Energy: 0.9206044513365123
Energy: 0.9952469575648641
Energy: 1.0308677546088263
Energy: 0.9447790444600135
Energy: 0.9954430514618471

minimum gb energy = 0.771100923088284 eV
minimum distance =  2.35433947255514 Angstroms
sigma value = 17


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

Energy: 0.7608593347696363
Energy: 1.0224921798156383
Energy: 0.8387979689638835
Energy: 0.8163155152912015
Energy: 1.3780537186091435
Energy: 0.8399020123643427
Energy: 0.8282591493102046
Energy: 0.8908695954571967
Energy: 0.8733052105315527
Energy: 0.9235548783813722
Energy: 0.9265718892997311
Energy: 0.8187087623546655
Energy: 1.0954717876649658
Energy: 0.749066528828034
Energy: 0.7402000408879484
Energy: 0.918785806295617
Energy: 0.7472716826348733
Energy: 0.7835380789519084
Energy: 0.9189659382349197
Energy: 0.7411955791943586
Energy: 0.746808671734712
Energy: 0.9141960145039277
Energy: 0.7578504589153146
Energy: 0.806916229683953
Energy: 0.809179994580769
Energy: 0.7710358583843027
Energy: 0.7537461348155872
Energy: 0.8094914194624672
Energy: 0.7694173181763824
Energy: 0.7457681192895161
Energy: 0.7321151572547222
Energy: 0.7681417935721022
Energy: 0.74714503845571
Energy: 0.7461215949796351
Energy: 0.7946459858050235
Energy: 0.7465655647682491
Energy: 0.8067493479902181
Energy: 0.7964925934912055
Energy: 0.7925285198168236
Energy: 0.7975507928091634
Energy: 0.7993589173328001
Energy: 0.7416736153444821
Energy: 0.9994502562234361
Energy: 0.7320460630916481
Energy: 0.7356015698989775
Energy: 0.7708338832697191
Energy: 0.7315946978199314
Energy: 0.7353386268948208
Energy: 0.7480105856709233
Energy: 0.7482176297985891
Energy: 0.7450856961800912
Energy: 0.7499144130316857
Energy: 0.7459157738092992
Energy: 0.743548144299105
Energy: 0.7435370774258925
Energy: 0.732250436379416
Energy: 0.7339034438307506
Energy: 0.7437011613101966
Energy: 0.732550727996162
Energy: 0.7330941298672478
Energy: 0.8697638405150072
Energy: 0.7420112321775224
Energy: 0.7329238764938587
Energy: 0.740498851844594
Energy: 0.7434726055931039
Energy: 0.7381594031994797
Energy: 0.7483021655814752
Energy: 0.7452131695437706
Energy: 0.7431871538562151
Energy: 0.7499259005811265
Energy: 0.7491609585819066
Energy: 0.749803818963123
Energy: 0.7475209572179589
Energy: 0.7365259317598664
Energy: 0.7360319260903926
Energy: 0.79396117865508
Energy: 0.7672433976226506
Energy: 0.7357406520799312
Energy: 0.7932565325083575
Energy: 0.7463745319658435
Energy: 0.746447879816205
Energy: 0.7948582974634807
Energy: 0.7598124560113457
Energy: 0.7925631554774966
Energy: 0.7935731862237582
Energy: 0.7553258362919956
Energy: 0.7402414468326591
Energy: 0.7935560510729878
Energy: 0.740690182501002
Energy: 0.7668522835880621
Energy: 1.0336435718753056
Energy: 0.7963603325916779
Energy: 0.7443571736297283
Energy: 0.7920767105527754
Energy: 0.9105784132790886
Energy: 0.7514629081002533
Energy: 0.7437367000705605
Energy: 0.9095748953399925
Energy: 0.9085886982866289
Energy: 0.878081555299537
Energy: 0.9177232582938244
Energy: 0.7669734850228301
Energy: 0.8112982303799046
Energy: 0.8863223931367142
Energy: 0.8411079963633467
Energy: 0.9087599407185427
Energy: 0.8880380961627986
Energy: 0.7670748684125858
Energy: 1.0205867598774918
Energy: 0.8918495423032453
Energy: 0.8194989543587122
Energy: 0.9092627011992765
Energy: 0.8133286193545193
Energy: 0.752774915874722
Energy: 1.0442440438587897
Energy: 0.7843514570505152
Energy: 0.7846447201672087
Energy: 0.9105749262886462
Energy: 0.7867013970881392
Energy: 0.8951974798111788
Energy: 1.0395660238995983
Energy: 0.8952116619617798
Energy: 0.8739540035599365
Energy: 0.9113453749821349
Energy: 0.9373152210739287
Energy: 0.873646247285656
Energy: 0.7534941610497242
Energy: 0.869563277590463
Energy: 0.9542127055382006
Energy: 0.740655784433332
Energy: 0.9166390471138378
Energy: 0.7799732446419637
Energy: 0.8868390451981271
Energy: 0.8921651832697517
Energy: 0.8687721213863524
Energy: 0.8865525422437973
Energy: 0.9300524852450965
Energy: 0.9534349688242186
Energy: 1.0899011483279397
Energy: 0.7399515501469931
Energy: 0.83215916704323
Energy: 0.9100848144405418
Energy: 0.8874595135126614
Energy: 0.8378660891131468
Energy: 0.914873725531099
Energy: 0.7501895526634021
Energy: 0.7823292366472402
Energy: 0.9107259527781096
Energy: 0.749664420424885
Energy: 0.7812868533900655
Energy: 0.9125755471388757
Energy: 0.7676186456121533
Energy: 0.7508954166605957
Energy: 0.9139550825710803
Energy: 0.7671328422231332
Energy: 0.814417739620136
Energy: 0.7308818805918632
Energy: 0.7836753343920099
Energy: 0.7659071904152843
Energy: 0.7428766103646459
Energy: 0.7935771136780424
Energy: 0.7464542111961358
Energy: 0.7969936011302161
Energy: 0.7951710491738321
Energy: 0.7932139737069325
Energy: 0.797153939201316
Energy: 0.7994153020342265
Energy: 0.7928784774203765
Energy: 1.0053264187294197
Energy: 0.7367398985609634
Energy: 0.7393227627991628
Energy: 0.7558248051573386
Energy: 0.7940588821822963
Energy: 0.7408701391759378
Energy: 0.7439256827118907
Energy: 0.7303543225122419
Energy: 0.7355961816978368
Energy: 0.7440513752545671
Energy: 0.7324327159156181
Energy: 0.7366196897453011
Energy: 0.74903596397865
Energy: 0.7426695743792326
Energy: 0.745139240382678
Energy: 0.75035460071577
Energy: 0.7428976839187136
Energy: 0.749404724297477
Energy: 0.7911273433958638
Energy: 0.743690431728549
Energy: 0.7450136399336234
Energy: 0.7586074646849638
Energy: 0.7347237152922798
Energy: 0.7463837480577095
Energy: 0.757560059167183
Energy: 0.7460655661611789
Energy: 0.7440152347689452
Energy: 0.7578636649705424
Energy: 0.7478462378154435
Energy: 0.7432994485528658
Energy: 0.744028840908168
Energy: 0.7507223921592855
Energy: 0.7479089570912111
Energy: 0.7436861803468486
Energy: 0.7479066811748599
Energy: 0.7482088545916192
Energy: 0.8054448169142809
Energy: 0.7495342152318506
Energy: 0.7483147356757579
Energy: 0.8017743916757389
Energy: 0.7512477140180893
Energy: 0.7493278692600761
Energy: 0.8025268663679654
Energy: 0.7404196602476075
Energy: 0.7443217532809147
Energy: 0.7937544296535358
Energy: 0.7395898631132894
Energy: 0.7646914213674078
Energy: 1.0506939178832884
Energy: 0.7454123058716289
Energy: 0.7436938529888458
Energy: 0.7997478712456403
Energy: 0.9093105398611668
Energy: 0.7468800957746405
Energy: 0.8785878826455588
Energy: 0.916967823972068
Energy: 0.9095536485196871
Energy: 0.7681401153299036
Energy: 0.9123112416523388
Energy: 0.7944700892449194
Energy: 0.7440880222134633
Energy: 0.8990890523259197
Energy: 0.7875763852669406
Energy: 0.7841960645087506
Energy: 0.9116578425447709
Energy: 0.7881107470015869
Energy: 1.0311048611878306
Energy: 0.9065536944356566
Energy: 0.8719543528721037
Energy: 0.9142143286235723
Energy: 0.9303432656558895
Energy: 0.7674122450690805
Energy: 1.0277581084092569
Energy: 0.7712292796738595
Energy: 0.8332534544192923
Energy: 0.9154160112725649
Energy: 0.7686068509191202
Energy: 0.8497695980801423
Energy: 1.0902560108417174
Energy: 0.8219377756860415
Energy: 0.8642278688543249
Energy: 0.9112511618455214
Energy: 0.9007294204470011
Energy: 0.8563115275507427
Energy: 0.8858488373138382
Energy: 0.8908006902527789
Energy: 0.8398349439837774
Energy: 0.8868555854494319
Energy: 0.9290886659132348
Energy: 0.9535363653375468

minimum gb energy = 0.7303543225122419 eV
minimum distance =  2.33247718616951 Angstroms
sigma value = 57


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

Energy: 0.6874632794946237
Energy: 0.9646796747156412
Energy: 0.7740522902775282
Energy: 0.7186957300650869
Energy: 1.2794816666292703
Energy: 0.8038366916630212
Energy: 1.008822562734197
Energy: 0.8302572588998797
Energy: 0.7136478516112429
Energy: 0.8830792952300643
Energy: 0.8557030130793812
Energy: 0.733380534361197
Energy: 1.02742610119508
Energy: 0.7026395913564215
Energy: 0.7016163676138101
Energy: 0.8767845505780956
Energy: 0.7063507258588735
Energy: 0.7109377033836217
Energy: 0.8752235263923439
Energy: 0.7034114110625792
Energy: 0.7111146443215677
Energy: 0.8762741489615156
Energy: 0.821169410115268
Energy: 0.7719480939514665
Energy: 0.8219120111074883
Energy: 0.708747459074075
Energy: 0.7161745240957793
Energy: 0.822870130444171
Energy: 0.730175257641303
Energy: 0.7149675979565832
Energy: 0.6714716175847079
Energy: 0.7392655206547314
Energy: 0.6987145499932029
Energy: 0.6794746041066949
Energy: 0.7637111303111825
Energy: 0.6992334117359336
Energy: 0.9330902608325251
Energy: 0.775040036485165
Energy: 0.7657413960602706
Energy: 0.8274960586214705
Energy: 0.7691193271004478
Energy: 0.6982517779157243
Energy: 0.9318001632683359
Energy: 0.6804877167193004
Energy: 0.7004895397890482
Energy: 0.7628969086362846
Energy: 0.6742132769629339
Energy: 0.7111998752751895
Energy: 0.7070808645503829
Energy: 0.6895746153370446
Energy: 0.6992684987674969
Energy: 0.7088362004631075
Energy: 0.9041017838020207
Energy: 0.705225132835516
Energy: 0.7254205754434874
Energy: 0.6896102217413875
Energy: 0.6885140762399637
Energy: 0.7042798554436631
Energy: 0.6863693942413904
Energy: 0.689266669644924
Energy: 0.6828598660075318
Energy: 0.6776083101985036
Energy: 0.6964276104208209
Energy: 0.6693980455465574
Energy: 0.6960654015252027
Energy: 0.6976699196056191
Energy: 0.7097099492155541
Energy: 0.6938427151556149
Energy: 0.6794635322073382
Energy: 0.8099258428246693
Energy: 0.6876143706604939
Energy: 0.676331009844717
Energy: 0.7057184405829655
Energy: 0.7306793399465888
Energy: 0.6857584421585728
Energy: 0.6906890014677999
Energy: 0.7350559426166557
Energy: 0.6838750190676277
Energy: 0.6780086025526616
Energy: 0.677047772670534
Energy: 0.6772161991899347
Energy: 0.6800585168509264
Energy: 0.8924375870122035
Energy: 0.6791767622760758
Energy: 0.6791856450354199
Energy: 0.672639215536039
Energy: 0.6717836690700496
Energy: 0.6785210152464477
Energy: 0.7413621119510356
Energy: 0.6726616355496555
Energy: 0.8173017671537157
Energy: 0.722058480394331
Energy: 0.6981850262033111
Energy: 0.6773744108539961
Energy: 0.7188034538226483
Energy: 0.6878190290108241
Energy: 0.6810562299572552
Energy: 0.7196608533982609
Energy: 0.7037667707738599
Energy: 0.7962458687209294
Energy: 0.7166992731088103
Energy: 0.7079996908364125
Energy: 0.7588510018657667
Energy: 0.7027000125478597
Energy: 0.7028212045799452
Energy: 0.7620189347335837
Energy: 0.7033792648839268
Energy: 0.706835752078389
Energy: 0.7614599409413255
Energy: 0.6912268384910637
Energy: 0.7606036392849727
Energy: 0.7639752606110125
Energy: 0.6972572753679104
Energy: 0.7622645508137995
Energy: 0.9694677624609594
Energy: 0.7046388751272299
Energy: 0.7133174231279841
Energy: 0.8738607544535876
Energy: 0.6996565264240283
Energy: 0.7125806783840654
Energy: 0.9719408566186895
Energy: 0.7904893836775889
Energy: 0.7274041889120594
Energy: 0.7548578899429754
Energy: 0.8791859592321366
Energy: 0.7147645093456425
Energy: 0.6790092599719983
Energy: 0.8852858066794139
Energy: 0.7380195517434713
Energy: 0.6927553471757585
Energy: 0.8807680424854044
Energy: 0.706978143324434
Energy: 0.777624548271718
Energy: 0.8696815610621718
Energy: 0.8143027942495362
Energy: 0.7775147858250822
Energy: 0.8485612471522717
Energy: 0.771672367411146
Energy: 0.9598808777883839
Energy: 0.7672332031547638
Energy: 0.7233732845068513
Energy: 0.924537967622355
Energy: 0.7608153265559823
Energy: 0.7213851428795404
Energy: 1.0322736356674547
Energy: 0.7078222658609535
Energy: 0.7112949894887242
Energy: 0.8662101327478536
Energy: 0.7088002570076398
Energy: 0.8275016266225371
Energy: 0.9780180661515643
Energy: 0.8322946274719697
Energy: 0.838564062659825
Energy: 0.8722907692558797
Energy: 0.8886366544169463
Energy: 0.7179143120687412
Energy: 0.6847270235777306
Energy: 0.8319627630913485
Energy: 0.7647374806384308
Energy: 0.7029821538137163
Energy: 0.844789425206343
Energy: 0.7331282351401519

minimum gb energy = 0.6693980455465574 eV
minimum distance =  2.37526695606715 Angstroms
sigma value = 43


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

Energy: 0.5900062768849024
Energy: 0.8557988311263736
Energy: 0.7044592754436056
Energy: 0.6107378754939222
Energy: 0.791964848696368
Energy: 0.6891268539360426
Energy: 0.856084106190864
Energy: 0.6230068439920983
Energy: 0.6135622152982477
Energy: 0.7698377706571562
Energy: 0.7294279734208672
Energy: 0.6043090080541201
Energy: 0.8864475180698882
Energy: 0.5872843613753982
Energy: 0.602537546106189
Energy: 0.769581767518141
Energy: 0.5909917329026994
Energy: 0.6024069143610279
Energy: 0.7725899316772193
Energy: 0.6027664252400555
Energy: 0.6033128876287631
Energy: 0.774384728904006
Energy: 0.7793456023173464
Energy: 0.6649949095453483
Energy: 0.7179566276617553
Energy: 0.6239738409949199
Energy: 0.6102890045118706
Energy: 0.7194993947357567
Energy: 0.6645702263821577
Energy: 0.6052298055902233
Energy: 0.5687002772094725
Energy: 0.6483906899292101
Energy: 0.59976109215436
Energy: 0.574309089533331
Energy: 0.6857706929026467
Energy: 0.5837411092768794
Energy: 0.8160493279811957
Energy: 0.6866335405378436
Energy: 0.6861445345638645
Energy: 0.7014158964572993
Energy: 0.693074670831705
Energy: 0.5846359611610603
Energy: 0.8096233431738116
Energy: 0.5694223435790201
Energy: 0.5825020027848284
Energy: 0.5934905005939192
Energy: 0.5684343542850644
Energy: 0.5827291188959592
Energy: 0.6343014950297439
Energy: 0.5804900487883738
Energy: 0.6214130818122852
Energy: 0.6364369498029345
Energy: 0.6537323660794351
Energy: 0.6322067133899624
Energy: 0.6107829798992768
Energy: 0.5896501193663524
Energy: 0.59055860784231
Energy: 0.6323964998704128
Energy: 0.5930966280935507
Energy: 0.5897665004958906
Energy: 0.5639972559277452
Energy: 0.5986215761834245
Energy: 0.574070974168262
Energy: 0.5624141214027544
Energy: 0.5987513459225339
Energy: 0.5663871330396825
Energy: 0.7705939040363382
Energy: 0.598683914825574
Energy: 0.5985666779927717
Energy: 0.7707651685818783
Energy: 0.6082370082449484
Energy: 0.5835487127373649
Energy: 0.7697243339574269
Energy: 0.5609268137553103
Energy: 0.6408028064414165
Energy: 0.7717779343789863
Energy: 0.5595483358776248
Energy: 0.6409442223501092
Energy: 0.5767239515492039
Energy: 0.5620123932096021
Energy: 0.5783514177208323
Energy: 0.5788598606076478
Energy: 0.7685645405239819
Energy: 0.5775410926187285
Energy: 0.5774645927890655
Energy: 0.563866832664269
Energy: 0.5639897813271194
Energy: 0.5771292759508495
Energy: 0.5631114092538524
Energy: 0.5626565606150856
Energy: 0.5690781105020495
Energy: 0.5684045568267979
Energy: 0.5701920618815093
Energy: 0.5611133853160776
Energy: 0.56772443539941
Energy: 0.5606510754052494
Energy: 0.763305963177686
Energy: 0.5673300178014582
Energy: 0.5665560664197352
Energy: 0.7683250404947212
Energy: 0.5676013969469447
Energy: 0.5653825502105433
Energy: 0.7584858863659394
Energy: 0.5969941802081086
Energy: 0.5701765175504326
Energy: 0.7593201645381494
Energy: 0.6257878889956736
Energy: 0.5690236536581016
Energy: 0.567428498939998
Energy: 0.5686784871895757
Energy: 0.5667237145165471
Energy: 0.569241687712702
Energy: 0.7599848578719628
Energy: 0.56735055881842
Energy: 0.7594446561164468
Energy: 0.5750931072880481
Energy: 0.5715508109634854
Energy: 0.7615028898461028
Energy: 0.625858766894337
Energy: 0.5761869449171007
Energy: 0.7629029434429142
Energy: 0.5768773254318478
Energy: 0.576446049765234
Energy: 0.7737794834156172
Energy: 0.5775425527989128
Energy: 0.5770820278492351
Energy: 0.6784744946540889
Energy: 0.5773731334928646
Energy: 0.5803305174827378
Energy: 0.5639311255530668
Energy: 0.5774962620822165
Energy: 0.5634841384294579
Energy: 0.5981798070849892
Energy: 0.5660308931235588
Energy: 0.565361549766221
Energy: 0.5975077095846791
Energy: 0.5675423420714404
Energy: 0.5657339117063007
Energy: 0.5977719235554612
Energy: 0.6136459705203172
Energy: 0.598254826313502
Energy: 0.5997327162953116
Energy: 0.7710500423995928
Energy: 0.5977887015234604
Energy: 0.7849184127023368
Energy: 0.5650524355541032
Energy: 0.6174040165727138
Energy: 0.787313177656277
Energy: 0.5645969868622933
Energy: 0.6188497248906912
Energy: 0.7864555360162921
Energy: 0.6332995270577271
Energy: 0.6328258338911731
Energy: 0.6794806999516434
Energy: 0.6436967773485308
Energy: 0.582477675407366
Energy: 0.5667140051059619
Energy: 0.6327809902068277
Energy: 0.5915050757154499
Energy: 0.5662656998692008
Energy: 0.633337131113763
Energy: 0.5757882063973722
Energy: 0.6651221641428388
Energy: 0.5965469274830166
Energy: 0.5977813447395651
Energy: 0.6860529321922151
Energy: 0.5978131026521538
Energy: 0.5926367726178916
Energy: 0.6870953143509763
Energy: 0.5932098291565527
Energy: 0.6863135408833188
Energy: 0.6891845758983699
Energy: 0.7241013978289997
Energy: 0.6857693164424122
Energy: 0.8410159609017761
Energy: 0.5784595388933483
Energy: 0.5917388579511863
Energy: 0.6619491780116316
Energy: 0.5780413143878977
Energy: 0.5917984973202061
Energy: 0.8414974448448956
Energy: 0.6631283946963534
Energy: 0.6610550856860289
Energy: 0.6636802271380247
Energy: 0.786197340233378
Energy: 0.6578869242136779
Energy: 0.5777387301207735
Energy: 0.7682684201614014
Energy: 0.6219607023202789
Energy: 0.5865604209844556
Energy: 0.7679587589759476
Energy: 0.5977188407679489
Energy: 0.7704979371895163
Energy: 0.7845431981294647
Energy: 0.7205750624309536
Energy: 0.7697915484021004
Energy: 0.774532624796834
Energy: 0.679083661953285
Energy: 0.8394630532136397
Energy: 0.6143263919250367
Energy: 0.6107720951053384
Energy: 0.8087555161675659
Energy: 0.753491496047826
Energy: 0.7446519862127933
Energy: 0.8866029250624075
Energy: 0.6040958770712784
Energy: 0.626513875460349
Energy: 0.7745694511708704
Energy: 0.6072086755694225
Energy: 0.6685926342883393
Energy: 0.8560838880291108
Energy: 0.732411112366753
Energy: 0.7203953297385368
Energy: 0.7680683485785501
Energy: 0.7287022070238086
Energy: 0.6684368190771732

minimum gb energy = 0.5595483358776248 eV
minimum distance =  2.38075524904014 Angstroms
sigma value = 81


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

Energy: 0.012564506976193475
Energy: 0.06773514865130063
Energy: 0.013609488243603798
Energy: 0.01634351414301285
Energy: 0.014779249228947704
Energy: 0.013703050225406589
Energy: 0.06891161020718782
Energy: 0.01354274289131246
Energy: 0.013119817551987344
Energy: 0.06996986552027237
Energy: 0.018894157037826285
Energy: 0.013748406830391338
Energy: 0.0677350093603487
Energy: 0.013598968153775474
Energy: 0.013198206385823124
Energy: 0.06731612498319857
Energy: 0.012864793547530269
Energy: 0.06667746493325236
Energy: 0.01709241496573769
Energy: 0.013055599253407754
Energy: 0.013248465600493527
Energy: 0.015326539661464926
Energy: 0.013397857927450177
Energy: 0.06771800438331084
Energy: 0.06689635592341267
Energy: 0.06728913711535428
Energy: 0.07414861843376296
Energy: 0.06818296269999492
Energy: 0.06604694395042542
Energy: 0.0715493281069286
Energy: 0.014241544394037556
Energy: 0.013707537127010167
Energy: 0.0136115310052016
Energy: 0.016850932746392076
Energy: 0.014580045891209665
Energy: 0.013173105524001458
Energy: 0.07073928268703826
Energy: 0.013339216893614711
Energy: 0.014236910241088481
Energy: 0.06817200259702161
Energy: 0.013526971913989144
Energy: 0.014055917765922014
Energy: 0.06759432250088951
Energy: 0.013076960355917535
Energy: 0.013075299313201453
Energy: 0.06816571057112417
Energy: 0.01343704206871695
Energy: 0.06703209491239139
Energy: 0.014892773050793447
Energy: 0.013687066955807084
Energy: 0.07019893464058737
Energy: 0.017200085027759982
Energy: 0.01312823951033044
Energy: 0.07002687691698314
Energy: 0.016440904296598724
Energy: 0.06800875939620853
Energy: 0.067475896393792
Energy: 0.014358780077376492
Energy: 0.06758957880782392
Energy: 0.06746281280625845

minimum gb energy = 0.012564506976193475 eV
minimum distance =  2.53029421340597 Angstroms
sigma value = 3


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

Energy: 0.7113830074161416
Energy: 0.7213384909802074
Energy: 0.6985640129204685
Energy: 0.6922298987670963
Energy: 0.688212424192742
Energy: 0.7062882031934811
Energy: 0.716641588249593
Energy: 0.7010703265121074
Energy: 0.6997486014855737
Energy: 0.7038509059747307
Energy: 0.7180897862213846
Energy: 0.6904466232611137
Energy: 0.733609045564871
Energy: 0.6796314422958436
Energy: 0.6805933893086689
Energy: 0.7017162526831907
Energy: 0.6774982614334077
Energy: 0.699290579644724
Energy: 0.6912285586821046
Energy: 0.6787926974043543
Energy: 0.680343981719671
Energy: 0.6887088977313307
Energy: 0.6739069537626978
Energy: 0.6870617311607142
Energy: 0.6784341792873296
Energy: 0.6948233420658152
Energy: 0.692991700496753
Energy: 0.6717903237216848
Energy: 0.7211987809703814
Energy: 0.6926034686235679
Energy: 0.6632575460251215
Energy: 0.6917075480566547
Energy: 0.687186226753901
Energy: 0.6676915235357556
Energy: 0.6919333371460835
Energy: 0.6688566016351598
Energy: 0.6928169336228566
Energy: 0.6903390650306638
Energy: 0.6734779869315761
Energy: 0.6927391404385153
Energy: 0.6986370480179785
Energy: 0.678244385249342
Energy: 0.6878738999931981
Energy: 0.6750927172823102
Energy: 0.6754787608739743
Energy: 0.6876565316552538
Energy: 0.6499406859511776
Energy: 0.6453338382241672
Energy: 0.6843670491678661
Energy: 0.6731344491509497
Energy: 0.6964140674003071
Energy: 0.6996969704690275
Energy: 0.6752598175038161
Energy: 0.6972812484113519
Energy: 0.6836819178821567
Energy: 0.6431857409991233
Energy: 0.6350815345913435
Energy: 0.682700526847022
Energy: 0.6425025975221124
Energy: 0.6526286713617971
Energy: 0.6490545714681464
Energy: 0.6803615759416461
Energy: 0.679588733069787
Energy: 0.6551926980864763
Energy: 0.6516809366186496
Energy: 0.6555767307308753
Energy: 0.6022560565027462
Energy: 0.686758993480459
Energy: 0.6904990260120477
Energy: 0.6008315827740485
Energy: 0.6708560864855257
Energy: 0.5945656589018313
Energy: 0.6091917214409428
Energy: 0.6400271381801971
Energy: 0.6585993527037466
Energy: 0.605849258825907
Energy: 0.6399227611737781
Energy: 0.6314102090502167
Energy: 0.6398212915512872
Energy: 0.6510602277387108
Energy: 0.6640082432895733
Energy: 0.665950750224256
Energy: 0.6583738409638028
Energy: 0.6632678438143128
Energy: 0.6415831834891507
Energy: 0.5708889520022274
Energy: 0.5720727929406527
Energy: 0.6426093041979838
Energy: 0.5802775700245105
Energy: 0.573557296540477
Energy: 0.6357527000681602
Energy: 0.6531469321374355
Energy: 0.6501860240522389
Energy: 0.6546954897466616
Energy: 0.6288451029001956
Energy: 0.6510502757812625
Energy: 0.5601681144395265
Energy: 0.6487310997467204
Energy: 0.6463573714524863
Energy: 0.5588220959431095
Energy: 0.6516367372213083
Energy: 0.5558162622146036
Energy: 0.5580647625503004
Energy: 0.6406734962148325
Energy: 0.6461590496551601
Energy: 0.5576881543173039
Energy: 0.6399029789464659
Energy: 0.6474151191970798
Energy: 0.6255840699473845
Energy: 0.6280639641440486
Energy: 0.6410113609898997
Energy: 0.6391906648087793
Energy: 0.6231459981721607
Energy: 0.6455354062519835
Energy: 0.6261919421369337
Energy: 0.5602840730408096
Energy: 0.5591465489811315
Energy: 0.6280916778445871
Energy: 0.5641515644273692
Energy: 0.5594961476586789
Energy: 0.6269375879561737
Energy: 0.6463847614756988
Energy: 0.6500639618237207
Energy: 0.6282977189015959
Energy: 0.6323655881712741
Energy: 0.6473212398824209
Energy: 0.5815060608242922
Energy: 0.6468157396794686
Energy: 0.6473574950451567
Energy: 0.5824581551751593
Energy: 0.6346062497405629
Energy: 0.5746954274979209
Energy: 0.5718780995138352
Energy: 0.6657201662365623
Energy: 0.6660162345399954
Energy: 0.5712331114331538
Energy: 0.6651743749698065
Energy: 0.6634716000349344
Energy: 0.6387989206274788
Energy: 0.6049305233972243
Energy: 0.6580632005965075
Energy: 0.6469608343568285
Energy: 0.6034029044443706
Energy: 0.6464757785764954
Energy: 0.6538705430313538
Energy: 0.5991290972391259
Energy: 0.5967408981739778
Energy: 0.6554721987016892
Energy: 0.5985766138902135
Energy: 0.5949578917344818
Energy: 0.6587822200650711
Energy: 0.6668885581484055
Energy: 0.6668095715602197
Energy: 0.6573219054004689
Energy: 0.6435109533659203
Energy: 0.6797948838707549
Energy: 0.6410361678351412
Energy: 0.665077601401922
Energy: 0.6719806868318633
Energy: 0.6413943895587111
Energy: 0.6621937636479376
Energy: 0.6335277282175561
Energy: 0.6173340084744949
Energy: 0.7003746659142123
Energy: 0.6975396393044706
Energy: 0.610097834603036
Energy: 0.6986889912205089
Energy: 0.6960089507878986
Energy: 0.6599505609540409
Energy: 0.6782752846300776
Energy: 0.6888394929091486
Energy: 0.6583788783530528
Energy: 0.6804491047634753
Energy: 0.6628586840715569
Energy: 0.7036974204527202
Energy: 0.6769969619197199
Energy: 0.6778572490634838
Energy: 0.6783111731208346
Energy: 0.6891326900036412
Energy: 0.678172370960002
Energy: 0.6995591242289938
Energy: 0.6812542727966724
Energy: 0.6806273668873921
Energy: 0.6911415927529093
Energy: 0.6540310742194901
Energy: 0.6825147130605522
Energy: 0.7430829742084031
Energy: 0.6806939365398618
Energy: 0.6940970597889634
Energy: 0.7084122373506793
Energy: 0.694001202839651
Energy: 0.7000755868610244
Energy: 0.6507239912307474
Energy: 0.6927096105626137
Energy: 0.6868061223214362
Energy: 0.6497093660098345
Energy: 0.6909133268130832
Energy: 0.6664315545396656

minimum gb energy = 0.5558162622146036 eV
minimum distance =  2.31832575629839 Angstroms
sigma value = 67


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

Energy: 0.8831313500121537
Energy: 0.8678320644734145
Energy: 0.8485367634238997
Energy: 0.8474227115053141
Energy: 1.0385704543904972
Energy: 0.850892251544323
Energy: 0.8593876655757107
Energy: 0.8621871440594291
Energy: 0.8674916774875783
Energy: 0.8678089542552465
Energy: 0.8583019410858176
Energy: 0.8411178876878747
Energy: 0.9052341532213056
Energy: 0.8212307390536976
Energy: 0.8360566121446132
Energy: 0.8731096597889177
Energy: 0.8195611549469043
Energy: 0.8269356515547154
Energy: 0.8168914041462934
Energy: 0.8379800747437856
Energy: 0.8274996260925496
Energy: 0.8150346705035905
Energy: 0.8260726822600165
Energy: 0.8271814326821284
Energy: 0.8244316694919153
Energy: 0.860711104519468
Energy: 0.8539719690721448
Energy: 0.8247455644043983
Energy: 0.8601677421855192
Energy: 0.843734173667491
Energy: 0.810717296662409
Energy: 0.831589053228445
Energy: 0.8300204059632222
Energy: 0.7479543695258167
Energy: 0.8280790450502452
Energy: 0.8307272807612631
Energy: 0.8183506349207542
Energy: 0.8032948619151942
Energy: 0.8660739779952673
Energy: 0.8201532990571855
Energy: 0.7945485500525329
Energy: 0.7950935245594348
Energy: 0.8266066035243171
Energy: 0.8238976677143367
Energy: 0.8171738741340666
Energy: 0.8272477878889989
Energy: 0.8078601669711124
Energy: 0.7956773010509837
Energy: 0.7993634284959975
Energy: 0.8231635957782925
Energy: 0.8471842608667086
Energy: 0.8012373448756436
Energy: 0.8037295662552645
Energy: 0.8391268407803357
Energy: 0.8050317238830577
Energy: 0.7502856945494526
Energy: 0.757297913811692
Energy: 0.8056796472120542
Energy: 0.7480902995504174
Energy: 0.7440949421114008
Energy: 0.809132835388574
Energy: 0.8037003729964213
Energy: 0.8186268313664644
Energy: 0.7751641406210842
Energy: 0.7859074365088664
Energy: 0.8205891539052764
Energy: 0.7197431636090422
Energy: 0.815132285281164
Energy: 0.8150310168648766
Energy: 0.720834006248612
Energy: 0.8192960311298041
Energy: 0.7091165187242787
Energy: 0.7246348286558768
Energy: 0.8118073160534243
Energy: 0.8090955014732405
Energy: 0.7253130277261202
Energy: 0.8106049142395533
Energy: 0.7109183112198435
Energy: 0.7942875330854499
Energy: 0.7855319317634205
Energy: 0.8088568358564139
Energy: 0.75325025079899
Energy: 0.7805096285432563
Energy: 0.807018429175498
Energy: 0.7811798309221063
Energy: 0.7170715646057226
Energy: 0.7196658264972937
Energy: 0.7824301363793006
Energy: 0.7113875282541358
Energy: 0.7101221752430988
Energy: 0.7830535529444252
Energy: 0.8218857999335903
Energy: 0.8163070432927053
Energy: 0.7813661273887471
Energy: 0.8074025176424026
Energy: 0.8124853740822293
Energy: 0.7552829865985098
Energy: 0.8110490124302999
Energy: 0.807844893539881
Energy: 0.7559618626534166
Energy: 0.8111319486300501
Energy: 0.7429735199236253
Energy: 0.7539670055511093
Energy: 0.8216988900341486
Energy: 0.843367708464237
Energy: 0.7561458302793909
Energy: 0.8243255383134858
Energy: 0.7427138233136743
Energy: 0.7927989247832012
Energy: 0.8002334905818506
Energy: 0.8372129433721803
Energy: 0.7230919893470525
Energy: 0.8016056071483029
Energy: 0.8398179933439179
Energy: 0.8054114934977766
Energy: 0.8124032246371704
Energy: 0.8036585737337458
Energy: 0.8067819871149597
Energy: 0.8129932475360221
Energy: 0.794741745768056
Energy: 0.801951293350424
Energy: 0.8237982862663714
Energy: 0.8143350820777798
Energy: 0.8553489802437727
Energy: 0.8133516179253143
Energy: 0.8323607905826925
Energy: 0.9034114460876798
Energy: 0.8389609917823717
Energy: 0.8147375900351527
Energy: 0.8715103968366918
Energy: 0.8224758877048634
Energy: 0.8136834983677506
Energy: 0.8611678065304785
Energy: 0.8724475632648915
Energy: 0.8749948061913966
Energy: 0.8627752118107863
Energy: 0.811374135336552
Energy: 0.8512553430022748

minimum gb energy = 0.7091165187242787 eV
minimum distance =  2.25217178789966 Angstroms
sigma value = 33


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

Energy: 1.0431255214285793
Energy: 1.0200884436188948
Energy: 1.0128795123209944
Energy: 0.9303404821229516
Energy: 1.0517576337935617
Energy: 0.9288619205760942
Energy: 0.9264099696439497
Energy: 0.9537806591760111
Energy: 0.9539093485247498
Energy: 0.9517359480874126
Energy: 0.9475342427334983
Energy: 0.9571427157959215
Energy: 1.012696991310906
Energy: 0.9281740517948402
Energy: 0.9292513874685049
Energy: 0.9560937230971793
Energy: 0.9322780033479172
Energy: 0.9285477979322346
Energy: 0.9500283443977638
Energy: 0.927193295806935
Energy: 0.9279383853030699
Energy: 0.9589921569547519
Energy: 0.8856537136757408
Energy: 0.9278584594982175
Energy: 0.8841948665766141
Energy: 0.9536073377244969
Energy: 0.9620618976830321
Energy: 0.8830541685424379
Energy: 0.9543735572548976
Energy: 0.9630839700960069
Energy: 0.9318045127842132
Energy: 0.9344490448672964
Energy: 0.9334621040807105
Energy: 0.824828439575947
Energy: 0.9337070095823112
Energy: 0.912825215030291
Energy: 0.884623990045143
Energy: 0.9633033258873444
Energy: 0.9662347196505287
Energy: 0.884098943755549
Energy: 0.9439612558616493
Energy: 0.8937632446819397
Energy: 0.9004600722399845
Energy: 0.892937710409645
Energy: 0.9116891305906256
Energy: 0.8861913050572272
Energy: 0.8268264613054531
Energy: 0.8739151524001925
Energy: 0.8922125176605216
Energy: 0.9281161055026115
Energy: 0.9334430883584941
Energy: 0.893040535205589
Energy: 0.8843814386833717
Energy: 0.927565601948591
Energy: 0.8960138443297656
Energy: 0.8223734188170014
Energy: 0.8195821021895165
Energy: 0.8950583822682958
Energy: 0.8225511619254262
Energy: 0.818605515157182
Energy: 0.8980455653692363
Energy: 0.9390595540717959
Energy: 0.9135864944021452
Energy: 0.8255063607614496
Energy: 0.9134938202859325
Energy: 0.9116721712422707
Energy: 0.8259351164086257
Energy: 0.9126115821551681
Energy: 0.91580915452921
Energy: 0.8252651199236892
Energy: 0.9112173394594785
Energy: 0.8200259175634829
Energy: 0.8233769956988016
Energy: 0.9271295414633012
Energy: 0.9285670467610063
Energy: 0.8229217618785796
Energy: 0.9103999796452926
Energy: 0.819686719618733
Energy: 0.9040348765435096
Energy: 0.8923774359583803
Energy: 0.9139829035984816
Energy: 0.8059571731174303
Energy: 0.9011408138161798
Energy: 0.9185658981970793
Energy: 0.9052588049832418
Energy: 0.8878391004121048
Energy: 0.8941319203253733
Energy: 0.9068951257501906
Energy: 0.8939110274907758
Energy: 0.8701862613805236
Energy: 0.8716713834521477
Energy: 0.9394425936035447
Energy: 0.9545087538012735
Energy: 0.8714743392705205
Energy: 0.8325527820447312
Energy: 0.9360699415609716
Energy: 1.0178025612168267
Energy: 0.9046243928653427
Energy: 0.9051141930751596
Energy: 0.953863063412472
Energy: 0.843347587407309
Energy: 0.9012962610314196
Energy: 1.0054263393060212
Energy: 0.950169569499559
Energy: 0.9499157467661878
Energy: 0.9512835106426952
Energy: 0.9487311656608369
Energy: 0.9615495446835981
Energy: 0.9547730404289682
Energy: 0.9549654433085839
Energy: 0.9586903672289726
Energy: 0.9044934661924063
Energy: 0.956221426182048
Energy: 0.8964225411967461
Energy: 0.9260604590902972
Energy: 0.9528705073378217
Energy: 0.9451257035976076
Energy: 0.9248612868366709
Energy: 0.9546331032290782
Energy: 0.9527401215413007
Energy: 1.018412969910414
Energy: 0.9343275427955549
Energy: 0.9314962318121364
Energy: 0.9473938000315385
Energy: 0.9457161558881899
Energy: 0.9300911310783978
Energy: 0.946134266318814
Energy: 0.9278634961984314
Energy: 0.9289860454750009
Energy: 0.9445584480435749
Energy: 0.949923828560931
Energy: 0.9278020129459109
Energy: 0.8835140626654331
Energy: 0.9535227227777615
Energy: 0.9648419552498863
Energy: 0.8822326934007562
Energy: 0.9478142952880324
Energy: 0.9540928178666485
Energy: 0.9311975064180318
Energy: 0.9336476825909148
Energy: 0.9365371684959987
Energy: 0.9090934676639882
Energy: 0.9347848266844443
Energy: 0.9126474493517027
Energy: 0.8859314153447118
Energy: 0.9782027753997851
Energy: 0.965636060579968
Energy: 0.8831985799337145
Energy: 0.9616552189662599
Energy: 0.8946433930800669
Energy: 0.8960754195931943
Energy: 0.9114142828587675
Energy: 0.9280311555590871
Energy: 0.8885131353580825
Energy: 0.8913159720919511
Energy: 0.8744650381073951
Energy: 0.893564232449712
Energy: 0.9281358152020976
Energy: 0.9338214885155257
Energy: 0.8936235809947907
Energy: 0.8800028009068257
Energy: 0.9286853209187867
Energy: 0.8937486349017209
Energy: 0.8214906436219495
Energy: 0.8197640246923323
Energy: 0.8935478829630783
Energy: 0.8239640810600366
Energy: 0.8189993423611895
Energy: 0.896386403138083
Energy: 0.9167887298541391
Energy: 0.9194568700610448
Energy: 0.825330180821639
Energy: 0.8585246255552462
Energy: 0.916901511304192
Energy: 0.8251435634753356
Energy: 0.9099047619268551
Energy: 0.9101392844427344
Energy: 0.8237385864471151
Energy: 0.9081175446620038
Energy: 0.8200173152215209
Energy: 0.8218151502853401
Energy: 0.9227325178812341
Energy: 0.8863195101881505
Energy: 0.8211045576718594
Energy: 0.9075682284165931
Energy: 0.8205432067281841
Energy: 0.9064927773507974
Energy: 0.914567185908694
Energy: 0.9128293702818107
Energy: 0.9179499026479447
Energy: 0.8984248345426735
Energy: 0.913965520184657
Energy: 0.9082672278819187
Energy: 0.887013407576809
Energy: 0.8728273814238591
Energy: 0.909996958653629
Energy: 0.8921820654274483
Energy: 0.8701278885186647
Energy: 0.8707963016239718
Energy: 0.8376618884270828
Energy: 0.8995544811482429
Energy: 0.8724135206431254
Energy: 0.8331844904740973
Energy: 0.9583292234755869
Energy: 1.0086970500343289
Energy: 0.9043245688767229
Energy: 0.9074876798354398
Energy: 0.9554375140480923
Energy: 0.9047940374302584
Energy: 0.9018100924598407
Energy: 1.0050601670518442
Energy: 0.949046433408929
Energy: 0.9454782559568876
Energy: 0.9512020098546329
Energy: 0.8889254712457976
Energy: 0.9617465891016301
Energy: 0.9517388206217264
Energy: 0.9548272902130907
Energy: 0.9573384388130121
Energy: 0.9069724515154409
Energy: 0.9551476467750694
Energy: 0.8971545363833638

minimum gb energy = 0.8059571731174303 eV
minimum distance =  2.36978207181167 Angstroms
sigma value = 41


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

Energy: 1.35535154604123
Energy: 1.1439088967797273
Energy: 1.1461083918770867
Energy: 1.0741272876558172
Energy: 1.0731008604323358
Energy: 1.1475943409811575
Energy: 1.0253458700624376
Energy: 1.0011005986803834
Energy: 1.0006952659518698
Energy: 0.9983832172692179
Energy: 1.0012462594910205
Energy: 1.0201361474838377
Energy: 1.1412691490805036
Energy: 1.0398422928110402
Energy: 1.074393086769353
Energy: 1.0703662088798014
Energy: 0.9970656560518146
Energy: 1.0744200424316026
Energy: 1.0656844525295996
Energy: 1.0387375607851401
Energy: 1.0749198384168936
Energy: 1.012405912388509
Energy: 0.987482498065419
Energy: 0.9998042166350185
Energy: 0.9861005423716142
Energy: 1.0101051841538866
Energy: 1.000900313956195
Energy: 0.9857922795164843
Energy: 1.0653195096321129
Energy: 1.0202589434235223
Energy: 1.060332658968236
Energy: 1.0120460033546321
Energy: 1.0193634431484002
Energy: 1.0003420238218939
Energy: 1.0132694566072302
Energy: 1.0185717951092768
Energy: 0.9875708189828365
Energy: 1.0076007870460693
Energy: 1.0169864327720268
Energy: 0.9872987118849859
Energy: 1.014336349770563
Energy: 1.0046861559897513
Energy: 0.9928951537297205
Energy: 1.0050743805994329
Energy: 1.0029380316211032
Energy: 0.9915164151389628
Energy: 1.0045674891926328
Energy: 1.0034237367418684
Energy: 1.0276994314698684
Energy: 1.058971365051455
Energy: 1.0513256988363235
Energy: 1.029930920496059
Energy: 1.013853761918666
Energy: 1.005694639282015
Energy: 1.0179793911252306
Energy: 0.99285198584566
Energy: 1.000947005861403
Energy: 1.0171307866800448
Energy: 0.9877817969698227
Energy: 1.0048387586619136
Energy: 1.0602427059562898
Energy: 0.9876954321675292
Energy: 1.068643347233438
Energy: 1.0152016153412686
Energy: 0.9379531414125162
Energy: 1.0191498393749554
Energy: 1.135362530546904
Energy: 1.0487506945036167
Energy: 1.048216932804871
Energy: 1.0630885347949606
Energy: 0.9387393186940393
Energy: 1.049154776349429
Energy: 1.1299946180218028
Energy: 0.9862044907536309
Energy: 1.058604635776134
Energy: 1.003563732001285
Energy: 0.9863494155082259
Energy: 1.0177621112899962
Energy: 1.084639582166984
Energy: 1.0060195618466627
Energy: 0.946050648705631
Energy: 0.9483537090652487
Energy: 1.000013349366451
Energy: 0.9485451859260201

minimum gb energy = 0.9379531414125162 eV
minimum distance =  2.30421216533383 Angstroms
sigma value = 11


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

Energy: 1.1668798581325828
Energy: 1.3015851052525413
Energy: 1.1838174908758972
Energy: 1.2385969088382498
Energy: 1.119672083156726
Energy: 1.221455639952039
Energy: 1.2368542119387664
Energy: 1.1167665329066836
Energy: 1.1184875578358575
Energy: 1.1569842645193362
Energy: 1.116324613619809
Energy: 1.121318180236803
Energy: 1.3156040204218642
Energy: 1.1425684117415498
Energy: 1.1478708266742499
Energy: 1.206005280322939
Energy: 1.1482645382848007
Energy: 1.141886245342806
Energy: 1.168279425762131
Energy: 1.1482685651049358
Energy: 1.1533903270348378
Energy: 1.1654073025000422
Energy: 1.1103820513432574
Energy: 1.1539318825606784
Energy: 1.1706797679784622
Energy: 1.1167564826367704
Energy: 1.1166085931590157
Energy: 1.170202222002082
Energy: 1.1217226032741474
Energy: 1.1172348704071677
Energy: 1.167108446348479
Energy: 1.1561127384048224
Energy: 1.1508411568630215
Energy: 1.147911411348792
Energy: 1.1670948714678477
Energy: 1.1568380834460108
Energy: 1.1660000428557666
Energy: 1.1593752862305722
Energy: 1.1636206157719216
Energy: 1.165130298911501
Energy: 1.1338759240478913
Energy: 1.13556152568118
Energy: 1.1443274787407205
Energy: 1.1763170974034889
Energy: 1.1184109687846722
Energy: 1.1216855677719357
Energy: 1.1707374973758116
Energy: 1.1341955646326547
Energy: 1.1136342538543456
Energy: 1.1293805917466617
Energy: 1.143181454145462
Energy: 1.1275313129258406
Energy: 1.1622834478961008
Energy: 1.154093532020943
Energy: 1.1138656322114577
Energy: 1.1287137418458264
Energy: 1.145320248398378
Energy: 1.1178417659470141
Energy: 1.1932757633278825
Energy: 1.153198476795994
Energy: 1.1449344677888216
Energy: 1.11712657988563
Energy: 1.1347519556499535
Energy: 1.1221753367202416
Energy: 1.125145906909235
Energy: 1.1344865058748086
Energy: 1.1193415911968985
Energy: 1.147147775133907
Energy: 1.144751110816613
Energy: 1.1209956547871902
Energy: 1.1393987952917222
Energy: 1.147639532025216
Energy: 1.1179465538964355
Energy: 1.1572296366419141
Energy: 1.201830592433456
Energy: 1.1162813125142748
Energy: 1.1671287173134308
Energy: 1.1469884931017424
Energy: 1.1269156161825111
Energy: 1.1436155694289654
Energy: 1.1511161621649986
Energy: 1.154464518949695
Energy: 1.2113552714799816
Energy: 1.1386305432044395
Energy: 1.1205430670819811
Energy: 1.1481769474589705
Energy: 1.1610821163218004
Energy: 1.1195228633164884
Energy: 1.1662340096418533
Energy: 1.15464973316123
Energy: 1.114982112717117
Energy: 1.158825374379487
Energy: 1.1542783756799335
Energy: 1.1161093463254634
Energy: 1.1099596360714998
Energy: 1.1416707821049297
Energy: 1.1273281381536377
Energy: 1.1678340653059458
Energy: 1.1656365198176408
Energy: 1.1222290817003209
Energy: 1.1277220101128487
Energy: 1.1343120636825985
Energy: 1.144843533612565
Energy: 1.1823543714336016
Energy: 1.1156677169649603
Energy: 1.1834292285769796
Energy: 1.1763795629753961
Energy: 1.1698435907084566
Energy: 1.1290058650705417
Energy: 1.108640553651215
Energy: 1.109834499704375
Energy: 1.125129046493315
Energy: 1.1283141330085344
Energy: 1.134408882391988
Energy: 1.1331803393580029
Energy: 1.1470553930052765
Energy: 1.1494494874571015
Energy: 1.1271256224112944
Energy: 1.1512318129621821
Energy: 1.1448139737532923
Energy: 1.2055456809077802
Energy: 1.1506685028330423
Energy: 1.1462993749318804
Energy: 1.1305814728559747
Energy: 1.1364876382351976
Energy: 1.1339267534216328
Energy: 1.1598097696498118
Energy: 1.1267681107878857
Energy: 1.1099594171981877
Energy: 1.1323246377931324
Energy: 1.1308926793529046
Energy: 1.1342465333144671
Energy: 1.1315921512563536
Energy: 1.1185361249378631
Energy: 1.1493406399497221
Energy: 1.1425144735995238
Energy: 1.1426521079494745
Energy: 1.1480877377639456
Energy: 1.2081723175440369
Energy: 1.123225661092704
Energy: 1.1326748202367534
Energy: 1.1284829122733324
Energy: 1.127137564713962
Energy: 1.1078094882990972
Energy: 1.2024297835541162
Energy: 1.1599899340781483
Energy: 1.1478338795040641
Energy: 1.1861328395551562
Energy: 1.175974376210504
Energy: 1.1185402110090414
Energy: 1.1830787270680365
Energy: 1.1194478698546009
Energy: 1.1300437257697231
Energy: 1.1308361959659698
Energy: 1.122244012122723
Energy: 1.1440122820749319
Energy: 1.1850741189654874
Energy: 1.1119439246086162
Energy: 1.1123322955983554
Energy: 1.1945951464246616
Energy: 1.1169207967808004
Energy: 1.150398963107007
Energy: 1.1859541126944644
Energy: 1.1104558142976821
Energy: 1.1575692695170432
Energy: 1.1677010639895025
Energy: 1.119943321023632
Energy: 1.1616543920803462
Energy: 1.2355107455516487
Energy: 1.1311111972110817
Energy: 1.1393493348064658
Energy: 1.316817500605186
Energy: 1.1838818363933443
Energy: 1.150874187115483
Energy: 1.304809516436323
Energy: 1.119140458013981
Energy: 1.1107509349548026
Energy: 1.168168539772668
Energy: 1.1167007508580002
Energy: 1.1837748903656082
Energy: 1.152370338152463
Energy: 1.1167427699482717
Energy: 1.1317334364513798
Energy: 1.1455124818177098
Energy: 1.1231745505259305
Energy: 1.141145024345064

minimum gb energy = 1.1078094882990972 eV
minimum distance =  2.31792782050503 Angstroms
sigma value = 57


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

Energy: 1.5639379916543381
Energy: 1.2681392658069623
Energy: 1.2838549100352352
Energy: 1.2881381531433864
Energy: 1.6623693786886244
Energy: 1.2971398135770533
Energy: 1.1121343170482467
Energy: 1.1559020622576837
Energy: 1.1665535484400116
Energy: 1.161811360083757
Energy: 1.1453066293446243
Energy: 1.148794985534113
Energy: 1.2228936873833927
Energy: 1.1630049239502305
Energy: 1.1682498240709445
Energy: 1.2220662646633849
Energy: 1.1638480292048445
Energy: 1.155885031915873
Energy: 1.139086022812414
Energy: 1.1510341414272494
Energy: 1.1638123417865562
Energy: 1.1408265045232453
Energy: 1.1348546783506512
Energy: 1.1471386307908624
Energy: 1.1740880701691019
Energy: 1.1502994127216644
Energy: 1.140166137580704
Energy: 1.1501690142966354
Energy: 1.145189654422128
Energy: 1.1641773823752513
Energy: 1.1434783799119905
Energy: 1.1731349255227779
Energy: 1.1601193840059794
Energy: 1.1444889472138462
Energy: 1.1740062790583594
Energy: 1.1759584609551792
Energy: 1.1910860317229077
Energy: 1.15760936854257
Energy: 1.1632704021321056
Energy: 1.1919043551718251
Energy: 1.1507269440112742
Energy: 1.2274815744495666
Energy: 1.2434189269874587
Energy: 1.1602496872673569
Energy: 1.1528109031881866
Energy: 1.143076329295925
Energy: 1.1552117652733487
Energy: 1.1469552943923704
Energy: 1.1135462679267911
Energy: 1.1487611430503217
Energy: 1.1563382527880295
Energy: 1.1231896554429124
Energy: 1.144124047794411
Energy: 1.1655325908093868
Energy: 1.1207464290588118
Energy: 1.1509986127609073
Energy: 1.1579337888277024
Energy: 1.1211166762191098
Energy: 1.1457550597622546
Energy: 1.1649502767701445
Energy: 1.2415654732947845
Energy: 1.1441840761923097
Energy: 1.1521881175806565
Energy: 1.1438096705327097
Energy: 1.1599180011517083
Energy: 1.1462175449350152
Energy: 1.1474228863011116
Energy: 1.2152846120883345
Energy: 1.2131812212771473
Energy: 1.1462871234637175
Energy: 1.2143417364654026
Energy: 1.14308809670541
Energy: 1.14871865453051
Energy: 1.1626344870080234
Energy: 1.1687197396907034
Energy: 1.1516375252259718
Energy: 1.1541593548525066
Energy: 1.1823807573792544
Energy: 1.14257849949348
Energy: 1.143227971541397
Energy: 1.1414236959277801
Energy: 1.1556333247446906
Energy: 1.2199078440318007
Energy: 1.1484775946164487
Energy: 1.1727471248649246
Energy: 1.1590159758850664
Energy: 1.1673570270995433
Energy: 1.1748145245921442
Energy: 1.153528980488294
Energy: 1.1468927201778805
Energy: 1.2230275969119477
Energy: 1.1652417950281773
Energy: 1.1847420919988882
Energy: 1.223345572612428
Energy: 1.1535217622537255
Energy: 1.1545513052620033
Energy: 1.1132266992608493
Energy: 1.159328931704196
Energy: 1.1683060672107768
Energy: 1.114102208781154
Energy: 1.1486848374481209
Energy: 1.187553217697356

minimum gb energy = 1.1121343170482467 eV
minimum distance =  2.29050878953998 Angstroms
sigma value = 9


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

Energy: 1.3548180185781304
Energy: 1.2423473842349118
Energy: 1.1925419494704297
Energy: 1.1918747181923948
Energy: 1.7490240575563143
Energy: 1.1962229467890106
Energy: 1.3221163626252508
Energy: 1.1991338320576659
Energy: 1.199956484639054
Energy: 1.2477973757235015
Energy: 1.2157825028990095
Energy: 1.1943726877377587
Energy: 1.2040022134992958
Energy: 1.1994069753250158
Energy: 1.1951226483939068
Energy: 1.203044648072845
Energy: 1.2268688606248577
Energy: 1.1916335565351899
Energy: 1.201324678309821
Energy: 1.2232674118926123
Energy: 1.2143020017431179
Energy: 1.203350509810267
Energy: 1.2257526994951182
Energy: 1.212024808802785
Energy: 1.2396461978388729
Energy: 1.1683783191207051
Energy: 1.1721876582343576
Energy: 1.2346354799317394
Energy: 1.1872473571339963
Energy: 1.177107972577127
Energy: 1.203004525459951
Energy: 1.1969122606119216
Energy: 1.1985689270441469
Energy: 1.2027120317255728
Energy: 1.2305307302241837
Energy: 1.1987891762424432
Energy: 1.1829044240516045
Energy: 1.1859366134223328
Energy: 1.1988813020204065
Energy: 1.160621087602241
Energy: 1.1945151894249117
Energy: 1.1923518409424323
Energy: 1.2589442270954714
Energy: 1.2179869186397416
Energy: 1.2045292918931405
Energy: 1.2257110638651139
Energy: 1.2307901515814756
Energy: 1.2044088750486857
Energy: 1.3208572932304532
Energy: 1.168490451255922
Energy: 1.171709419695136
Energy: 1.2188117405206305
Energy: 1.1638731196782786
Energy: 1.2022319637144097
Energy: 1.3221367431597304
Energy: 1.1692587247303459
Energy: 1.1729364560047266
Energy: 1.2179254743870442
Energy: 1.1830380324262209
Energy: 1.2057473843979991
Energy: 1.2326016344240582
Energy: 1.2141836222888935
Energy: 1.2095817665096296
Energy: 1.2048494432497148
Energy: 1.220070905103831
Energy: 1.1881372547207587
Energy: 1.2337172063029045
Energy: 1.2191072391360933
Energy: 1.21624866983717
Energy: 1.1651987741810355
Energy: 1.224397236438498
Energy: 1.1972867345201943
Energy: 1.3616304433338906
Energy: 1.1922334001001895
Energy: 1.1920452845731813
Energy: 1.2222168505919255
Energy: 1.1926633402687294
Energy: 1.1889096154567078
Energy: 1.3514507917757421
Energy: 1.20053668207209
Energy: 1.2086694227453558
Energy: 1.1992289396039868
Energy: 1.2642022811350153
Energy: 1.2104992532331902
Energy: 1.2283143712686544
Energy: 1.2067536216794834
Energy: 1.20460740786113
Energy: 1.2225049390517206
Energy: 1.2132512438560978
Energy: 1.1769061196561619
Energy: 1.2097054193430852
Energy: 1.2074782461655547
Energy: 1.1839389444988933
Energy: 1.2060790983747316
Energy: 1.2228434455955077
Energy: 1.1715375661000396
Energy: 1.233288960985524
Energy: 1.2216931901334185
Energy: 1.2149884676433962
Energy: 1.243080754721129
Energy: 1.262330395504859
Energy: 1.2115091934215207
Energy: 1.345094731948286
Energy: 1.1711328461485497
Energy: 1.1911649166439897
Energy: 1.2113431173499836
Energy: 1.1867996678996087
Energy: 1.193680737462959
Energy: 1.2190757920449182
Energy: 1.21495039959832
Energy: 1.2002753782323092
Energy: 1.215572207144218
Energy: 1.2539580006306714
Energy: 1.1948540438791462
Energy: 1.209898335774774
Energy: 1.2141176318888156
Energy: 1.2074253936597508
Energy: 1.2225173154430264
Energy: 1.2206969134472017
Energy: 1.1958786440250595
Energy: 1.2863213552484702
Energy: 1.172477820728894
Energy: 1.1934699785486953
Energy: 1.2376978541499273
Energy: 1.2081610835353318
Energy: 1.1957523076395422

minimum gb energy = 1.160621087602241 eV
minimum distance =  2.27734656760671 Angstroms
sigma value = 27


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

Energy: 1.5658965537934604
Energy: 1.1733138058635377
Energy: 1.1736883635211897
Energy: 1.1578166432506654
Energy: 1.8410176170962582
Energy: 1.174409988961276
Energy: 1.2450336666868704
Energy: 1.2514350751926258
Energy: 1.2481925378842906
Energy: 1.2400022323271418
Energy: 1.1741464394737955
Energy: 1.1945537820258811
Energy: 1.1929594533020804
Energy: 1.2195909910294225
Energy: 1.213297178579051
Energy: 1.1924771677806423
Energy: 1.1946247063900497
Energy: 1.2194038986722382
Energy: 1.2598887159246344
Energy: 1.1998195166152832
Energy: 1.1518654025582922
Energy: 1.2600351104890022
Energy: 1.2041964805710876
Energy: 1.2085338602100981
Energy: 1.1863301550951595
Energy: 1.2169361568702157
Energy: 1.2193700286773306
Energy: 1.187680868409055
Energy: 1.2258114546571748
Energy: 1.201761143435002
Energy: 1.2449287216388678
Energy: 1.2244660679604797
Energy: 1.218008471791163
Energy: 1.2463913055738203
Energy: 1.1669428080697073
Energy: 1.2222379537632158
Energy: 1.2338678843660638
Energy: 1.1464189067139596
Energy: 1.1452840728993696
Energy: 1.2342039273792527
Energy: 1.1449890265373945
Energy: 1.1433047383348967
Energy: 1.2468283624633831
Energy: 1.201649144502928
Energy: 1.2427571695636335
Energy: 1.2231768023045957
Energy: 1.1865984402737983
Energy: 1.2396956107593893
Energy: 1.4016779741495433
Energy: 1.2080478988594803
Energy: 1.1547303849771091
Energy: 1.1516329509381686
Energy: 1.2489045461517105
Energy: 1.156272837220081
Energy: 1.3923823043716257
Energy: 1.1552030706124545
Energy: 1.1518768571573095
Energy: 1.1503743976170893
Energy: 1.1786708990628851
Energy: 1.1537499783152878
Energy: 1.229840121290443
Energy: 1.174750543244643
Energy: 1.1598639213817317
Energy: 1.2111413995379512
Energy: 1.1881238211980543
Energy: 1.2233564860287551
Energy: 1.145827728586319
Energy: 1.092745257148597
Energy: 1.1015426444356269
Energy: 1.1431665868914758
Energy: 1.0914840242733828
Energy: 1.100165372400477
Energy: 1.1456857500546453
Energy: 1.092567933124996
Energy: 1.1024707728714012
Energy: 1.145528783055087
Energy: 1.1415939190090698
Energy: 1.1050646280064051
Energy: 1.1386820339326482
Energy: 1.0922650449972406
Energy: 1.0921123398539816
Energy: 1.1404446914126263
Energy: 1.1139165496734602
Energy: 1.0927541096695415
Energy: 1.1418094837968074
Energy: 1.1002722636819935
Energy: 1.0943201648310974
Energy: 1.1404072009679902
Energy: 1.093043012201393
Energy: 1.0919437705384545
Energy: 1.2124329222360835
Energy: 1.097674017930612
Energy: 1.1511947975709893
Energy: 1.1723794194543036
Energy: 1.0945221688898579
Energy: 1.1466021291700799
Energy: 1.1860997999286282
Energy: 1.1434853884850875
Energy: 1.1415955456051845
Energy: 1.1871356599576066
Energy: 1.149230031770311
Energy: 1.1408177819057723
Energy: 1.2601556854612797
Energy: 1.20997691003778
Energy: 1.1558340525775719
Energy: 1.1526774071332557
Energy: 1.239423554150217
Energy: 1.1548550331713845
Energy: 1.2292686337783274
Energy: 1.1450913361541821
Energy: 1.1553158796147982
Energy: 1.2303181608274805
Energy: 1.1953658625168437
Energy: 1.1521624340369143
Energy: 1.1964368310782212
Energy: 1.1451911465394338
Energy: 1.1551967791408757
Energy: 1.1958093307451303
Energy: 1.186472896936344
Energy: 1.151996661266086
Energy: 1.3907992288478201
Energy: 1.154200914640779
Energy: 1.15471996602173
Energy: 1.222948674958182
Energy: 1.2357591295394228
Energy: 1.1535807600343522
Energy: 1.1950583069916747
Energy: 1.2340760153044992
Energy: 1.222297639936109
Energy: 1.1924576035129453
Energy: 1.2199926603860112
Energy: 1.2241828240620352
Energy: 1.1964497965377725
Energy: 1.2452206984772585
Energy: 1.2188884259583246
Energy: 1.172626249110757
Energy: 1.2521642986035384
Energy: 1.222862266063342
Energy: 1.1952779130229294
Energy: 1.2040536615138229
Energy: 1.2096923687238064
Energy: 1.1787451883998423
Energy: 1.2164976434265942
Energy: 1.2084746252552065
Energy: 1.252128741744737
Energy: 1.1695563114905323
Energy: 1.169019283793766
Energy: 1.1882222282293644
Energy: 1.2204941357463017
Energy: 1.156694338336908

minimum gb energy = 1.0914840242733828 eV
minimum distance =  2.26888050053907 Angstroms
sigma value = 19


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

Energy: 1.8810236293044897
Energy: 1.27604363968153
Energy: 1.1915571250485624
Energy: 1.1518677428637698
Energy: 1.2684893514478859
Energy: 1.1903828386270214
Energy: 1.1957397587966143
Energy: 1.1752831761716431
Energy: 1.145083196925236
Energy: 1.1694337858940702
Energy: 1.1729724659554663
Energy: 1.142505566280895
Energy: 1.2060197514348885
Energy: 1.1431662712815986
Energy: 1.1412402675298376
Energy: 1.1818085682935329
Energy: 1.1394826713459676
Energy: 1.1426786842760506
Energy: 1.200662368446761
Energy: 1.143931957869013
Energy: 1.1449428577421372
Energy: 1.170454318020038
Energy: 1.1705615920268
Energy: 1.146329106679914
Energy: 1.1870934920523097
Energy: 1.1453697554660676
Energy: 1.1432045987860706
Energy: 1.1491474938433905
Energy: 1.1490578969049405
Energy: 1.1407116870167622
Energy: 1.1950210637478422
Energy: 1.1719906022262119
Energy: 1.1455862217645587
Energy: 1.195678850414216
Energy: 1.1459304705083075
Energy: 1.1948376051716678
Energy: 1.2139720265847624
Energy: 1.151437295193983
Energy: 1.150041175342003
Energy: 1.216296057903193
Energy: 1.1540243179370968
Energy: 1.1502230379290288
Energy: 1.1958438507023166
Energy: 1.1392811605758106
Energy: 1.1483545366501708
Energy: 1.1929337216240272
Energy: 1.1409835596882085
Energy: 1.146865885576058
Energy: 1.162024296037553
Energy: 1.1439593689502354
Energy: 1.1429945431119453
Energy: 1.1672238698385282
Energy: 1.1533037412255431
Energy: 1.1438119090886936
Energy: 1.1670951293127647
Energy: 1.162752430105283
Energy: 1.1606340564315358
Energy: 1.1748739514831232
Energy: 1.1851114533376355
Energy: 1.1618471300634081
Energy: 1.199922651128293
Energy: 1.1255018094770035
Energy: 1.1248844969318081
Energy: 1.1796825961210515
Energy: 1.1309510947096384
Energy: 1.1265788420035727
Energy: 1.1945306115625096
Energy: 1.1429141313063003
Energy: 1.1272998508868135
Energy: 1.1807281445250297
Energy: 1.1571853259891813
Energy: 1.126308057849331
Energy: 1.184148624985336
Energy: 1.169426291996531
Energy: 1.1360620374112949
Energy: 1.1308989891414167
Energy: 1.1886135090782395
Energy: 1.1321883333359155
Energy: 1.2316886256327706
Energy: 1.1687831993963764
Energy: 1.1478817670025767
Energy: 1.1344184397298798
Energy: 1.195443567664452
Energy: 1.1469079638296915
Energy: 1.1926935687189437
Energy: 1.1231229466870534
Energy: 1.1272855017143326
Energy: 1.1485946369785904
Energy: 1.1412210259224327
Energy: 1.1291158243113146
Energy: 1.2085020148371473
Energy: 1.1259232924843792
Energy: 1.1258786774242804
Energy: 1.1917866130991634
Energy: 1.1438510749638167
Energy: 1.1260565571950463
Energy: 1.1636879218612766
Energy: 1.1812833969713608
Energy: 1.1672049430104643
Energy: 1.1426027130478114
Energy: 1.2042835731301214
Energy: 1.213494047296391
Energy: 1.2017045270815192
Energy: 1.1272795083551752
Energy: 1.1257976348467917
Energy: 1.136112737896276
Energy: 1.1925486746402616
Energy: 1.1257035339526242
Energy: 1.1967253058998693
Energy: 1.1210293123989956
Energy: 1.1264137470348323
Energy: 1.1832088360449757
Energy: 1.1373141194388827
Energy: 1.1264840021331144
Energy: 1.1834513847190242
Energy: 1.1205011238513054
Energy: 1.1280433666533145
Energy: 1.1647859693353397
Energy: 1.13843327993145
Energy: 1.12834250372404
Energy: 1.138834453583744
Energy: 1.1273379152603944
Energy: 1.129910302844436
Energy: 1.1401925252384724
Energy: 1.1382064896813078
Energy: 1.1295054102948923
Energy: 1.1401764285922524
Energy: 1.126471236318176
Energy: 1.1268064342726376
Energy: 1.1407239538485987
Energy: 1.1324590462163964
Energy: 1.1253619507233577
Energy: 1.2019946028700692
Energy: 1.1185543877963866
Energy: 1.1196858532500265
Energy: 1.1663628556915244
Energy: 1.1280187162284032
Energy: 1.1640957349732426
Energy: 1.1995809797307289
Energy: 1.1273447411620334
Energy: 1.127734436232528
Energy: 1.199938843326582
Energy: 1.1267074005314504
Energy: 1.1278063207296662
Energy: 1.1892622449589114
Energy: 1.1297407451669044
Energy: 1.127248826672882
Energy: 1.1598834274023129
Energy: 1.1659856297029327
Energy: 1.1254094340457517
Energy: 1.1712742707537696
Energy: 1.1300589764940077
Energy: 1.1282387209522131
Energy: 1.1647015258279272
Energy: 1.139490843467672
Energy: 1.1275361439304523
Energy: 1.1968792128748065
Energy: 1.1441759073485949
Energy: 1.1418121495167894
Energy: 1.1967483949499138
Energy: 1.1704037754498924
Energy: 1.145327052280701
Energy: 1.2025359357020278
Energy: 1.1703852331850828
Energy: 1.1421808930870183
Energy: 1.1548145492913684
Energy: 1.16946959443496
Energy: 1.1437819044957531
Energy: 1.199810318644999
Energy: 1.1702837247812083
Energy: 1.1484232141862571
Energy: 1.127913277490991
Energy: 1.1654558227120464
Energy: 1.126458441444078

minimum gb energy = 1.1185543877963866 eV
minimum distance =  2.29132405693247 Angstroms
sigma value = 101


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

Energy: 1.7424902122573263
Energy: 1.1467820509702242
Energy: 1.1447238557478663
Energy: 1.0754064678835789
Energy: 1.1747284892620353
Energy: 1.1017904764079316
Energy: 1.1858488991166833
Energy: 1.1032552592511193
Energy: 1.105837149349335
Energy: 1.139741086787853
Energy: 1.1300325690815014
Energy: 1.1062871145696755
Energy: 1.1771145137572454
Energy: 1.0947719537519476
Energy: 1.093604995341126
Energy: 1.1111403062383107
Energy: 1.0978638324048648
Energy: 1.1039736578042239
Energy: 1.1460941573355703
Energy: 1.118444835678504
Energy: 1.1211801339384144
Energy: 1.1262714613816571
Energy: 1.1190973076485304
Energy: 1.1121903448692865
Energy: 1.1224966876229963
Energy: 1.1081605764792324
Energy: 1.1076941581109163
Energy: 1.1142406108161154
Energy: 1.1101729646634984
Energy: 1.1062826974024873
Energy: 1.1314935102275865
Energy: 1.1143405997360247
Energy: 1.1146693172801496
Energy: 1.1325385227957445
Energy: 1.1225416142004305
Energy: 1.1140108694348112
Energy: 1.1633128635659418
Energy: 1.0905594260849063
Energy: 1.0929753721545064
Energy: 1.144596451192175
Energy: 1.093411734549748
Energy: 1.1047433129119073
Energy: 1.1455492064580526
Energy: 1.1044333625636331
Energy: 1.1052278222247507
Energy: 1.1442085408821518
Energy: 1.1019205049974343
Energy: 1.1065152112227121
Energy: 1.0972241560389184
Energy: 1.1057203091863201
Energy: 1.1056096613161515
Energy: 1.1000482421947728
Energy: 1.109475377942964
Energy: 1.09706096079799
Energy: 1.10225553598366
Energy: 1.1045956235777346
Energy: 1.1057588402810934
Energy: 1.104165897001502
Energy: 1.1265266194618841
Energy: 1.1034856047365493
Energy: 1.17291892020429
Energy: 1.073864195907102
Energy: 1.0739267086719382
Energy: 1.1316242780743304
Energy: 1.0756954680086492
Energy: 1.0951043743208944
Energy: 1.1671116652845162
Energy: 1.1035309993935005
Energy: 1.1046279251528495
Energy: 1.1676893695457515
Energy: 1.0989143235110463
Energy: 1.1256240524388326
Energy: 1.120826328855319
Energy: 1.1560317632720387
Energy: 1.1243202489335515
Energy: 1.0969755656954696
Energy: 1.1527439400094772
Energy: 1.1157395249987456
Energy: 1.1275360985426333
Energy: 1.1291310462372472
Energy: 1.1091231747928887
Energy: 1.128329636220566
Energy: 1.127443702902272
Energy: 1.106972956204401
Energy: 1.1719965882107717
Energy: 1.0954776464214961
Energy: 1.0947610830780767
Energy: 1.1274081038672894
Energy: 1.0946759457004216
Energy: 1.1019990394946062
Energy: 1.1976694966117372
Energy: 1.1121269198591506
Energy: 1.1035047394328141
Energy: 1.173490280349172
Energy: 1.102164192901254
Energy: 1.1038319800501106
Energy: 1.1180585555368785
Energy: 1.2010576207390464
Energy: 1.1230318136474688
Energy: 1.0661794286093336
Energy: 1.2196478854194754
Energy: 1.0730931659027052
Energy: 1.2051918016214043
Energy: 1.1217588057900503
Energy: 1.1081487426530932
Energy: 1.1640411503231365
Energy: 1.1232008976484171
Energy: 1.1190595089440327
Energy: 1.1742039554499397
Energy: 1.1030815571481432
Energy: 1.102990254111299
Energy: 1.1118223604423962
Energy: 1.1115416505018874
Energy: 1.1050810787469019
Energy: 1.1642275900484669
Energy: 1.1005738583188633
Energy: 1.1064076610466729
Energy: 1.1185848884532836
Energy: 1.1131284890522408
Energy: 1.1080363312196886
Energy: 1.125755625435207
Energy: 1.1076768358571056
Energy: 1.1072676062830678
Energy: 1.1305154968225837
Energy: 1.108233544338629
Energy: 1.110905606076051
Energy: 1.1343613904487495
Energy: 1.1042549078051622
Energy: 1.1039800429789957
Energy: 1.136517545118872
Energy: 1.109048946951115
Energy: 1.1051279636588567
Energy: 1.142641010301387
Energy: 1.1094028779819414
Energy: 1.1002821868539434
Energy: 1.1410873833444624
Energy: 1.104374060612297
Energy: 1.100285426934058
Energy: 1.1558213878472967
Energy: 1.0947202398946898
Energy: 1.101759994981499
Energy: 1.1389870737204983
Energy: 1.0953914770020232
Energy: 1.105691310051483
Energy: 1.1003904922317984
Energy: 1.110763177312217
Energy: 1.1082693766668354
Energy: 1.1020431889291005
Energy: 1.1046323681412238
Energy: 1.1049949857848151
Energy: 1.0971579266066553
Energy: 1.1066865092829505
Energy: 1.103413729229553
Energy: 1.102033103948429
Energy: 1.1305274690659324
Energy: 1.1073516317213372
Energy: 1.196823437790921
Energy: 1.0748445002517435
Energy: 1.0750211461659351
Energy: 1.1104945413274834
Energy: 1.0800666157305212
Energy: 1.078445926156447
Energy: 1.1686923856605131
Energy: 1.0853651843589533
Energy: 1.078239308281009
Energy: 1.1687352755631992
Energy: 1.0775461992071897
Energy: 1.1069731201297803
Energy: 1.1249877140418247
Energy: 1.1273422673530262
Energy: 1.112548554083802
Energy: 1.1004342933746194
Energy: 1.12943672594954
Energy: 1.10209667076381
Energy: 1.125716777077199
Energy: 1.1135035950431487
Energy: 1.103837004839752
Energy: 1.1021128595681724
Energy: 1.1025628273408326
Energy: 1.1011162175651439
Energy: 1.1671693991886507
Energy: 1.0995522366130654
Energy: 1.1058577532612872
Energy: 1.1432502489143526
Energy: 1.1050403275296692
Energy: 1.106880146132742
Energy: 1.1703192771957514
Energy: 1.104380869386582
Energy: 1.1044744204442838
Energy: 1.1098381571279377
Energy: 1.1126459850397414
Energy: 1.1060137269686159
Energy: 1.1250274349787988
Energy: 1.1094839896418307
Energy: 1.1163033158894617
Energy: 1.0724869602070222
Energy: 1.1091104768123046
Energy: 1.1151242674539183

minimum gb energy = 1.0661794286093336 eV
minimum distance =  2.28645028405857 Angstroms
sigma value = 33


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

Energy: 0.009735393798441126
Energy: 0.010966092435616913
Energy: 0.010993506060325276
Energy: 0.013142774784074166
Energy: 1.0926741602653638
Energy: 0.010815058122968232
Energy: 0.011741441529140724
Energy: 0.1517809098800171
Energy: 0.14947819777322893
Energy: 0.1505606778971169
Energy: 0.15426938579754818
Energy: 0.14870372472788718
Energy: 1.455373759163295
Energy: 1.0933953354659394
Energy: 1.0905087847563022
Energy: 1.0893992777009829
Energy: 1.094504086224911
Energy: 1.0901809631062218
Energy: 0.5089795506744066
Energy: 0.1517809098800171
Energy: 0.14947819777751195
Energy: 0.1505606778971169
Energy: 0.15426938580183122
Energy: 0.14870372472360413

minimum gb energy = 0.009735393798441126 eV
minimum distance =  2.5398036365308 Angstroms
sigma value = 1