Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.606302589178085
cohesive_energy=4.204648203132152
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.00433899090034e-19, 2.77347990581838e-19, 3.36074172924474e-19, 3.8402251305019195e-19, 4.2450951659137193e-19, 4.593392344378979e-19, 4.896668359428839e-19, 5.16259763714016e-19, 5.397012100460699e-19, 5.603997299807159e-19, 5.786821675512899e-19, 5.9482409713884e-19, 6.09025790822616e-19, 6.214618858557239e-19, 6.3230701949127e-19, 6.416749462702679e-19, 6.496633989673919e-19, 6.563653038274139e-19, 6.618639740353019e-19, 6.66231507539586e-19, 6.69531991405626e-19, 6.7182470616887995e-19, 6.73165728011538e-19, 6.736063265858879e-19, 6.731304801255899e-19, 6.71593992733584e-19, 6.687997966838879e-19, 6.645235872477421e-19, 6.58483381337562e-19, 6.503443240368419e-19, 6.39715484246886e-19, 6.261081980943239e-19, 6.089136384582359e-19, 5.873996106168839e-19, 5.60651271712254e-19, 5.275230654510359e-19, 4.8660507639531e-19, 4.3603076876646605e-19, 3.73454555972328e-19, 2.95813076288688e-19, 1.9907685548103598e-19, 7.785216591101099e-20, -7.517060287868519e-20, -2.7011416307932797e-19, -5.21218500396246e-19, -8.4910875507424795e-19, -1.2843448442302499e-18, -1.8740660087897998e-18, -2.6934992482490997e-18, -3.86863172222274e-18, -5.62391235536778e-18, -8.391223881145259e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.0184343567396253
Energy: 0.18453319645665545
Energy: 0.18798024052871182
Energy: 0.18670778964012044
Energy: 0.023905230398723668
Energy: 0.020650333929033916
Energy: 0.18737552418079506
Energy: 0.18910008099362946
Energy: 0.18582423912944132
Energy: 0.025531613688828204
Energy: 0.18397238376248765
Energy: 0.1942870887076309
Energy: 0.18766425181276097
Energy: 0.1888993483943742
Energy: 0.18786959631884664
Energy: 0.18437252395784495
Energy: 0.19339949192228573
Energy: 0.1873041356670103
Energy: 0.1899367060626561
Energy: 0.18705482190255968
Energy: 0.18760254447489916
Energy: 0.02462653556271331
Energy: 0.019081692932908442
Energy: 0.18498919473369052
Energy: 0.18678161471976
Energy: 0.18678872909330332
Energy: 0.023030739737470343
Energy: 0.019031443854366725
Energy: 0.18398568036304214
Energy: 0.18812839183933844
Energy: 0.18695218466733649
Energy: 0.020849107114628722
Energy: 0.020719191547513616
Energy: 0.19135412383820408
Energy: 0.18433150461364933
Energy: 0.18765107423166794
Energy: 0.021717616626705634
Energy: 0.01934971430550076
Energy: 0.1863756860236588
Energy: 0.18416507330724596
Energy: 0.1860675124963012
Energy: 0.18564814521916603
Energy: 0.18913850954078162
Energy: 0.021580213487412642
Energy: 0.019623628825070055
Energy: 0.18507670283306332
Energy: 0.18656177605018126
Energy: 0.18824706630127577
Energy: 0.023082448620177592
Energy: 0.19011627399359043
Energy: 0.18848510628672002
Energy: 0.18479564131841184
Energy: 0.1859266752200482
Energy: 0.020050656320687744
Energy: 0.019351829229334667
Energy: 0.18980451914831264
Energy: 0.18419273926187096
Energy: 0.1866726132191471
Energy: 0.020874524174869517
Energy: 0.019505975982578045
Energy: 0.01961198336462255
Energy: 0.189920615428326
Energy: 0.1865806716187403
Energy: 0.1894126113819361
Energy: 0.19126335205157963
Energy: 0.0195839221229952
Energy: 0.19124304842845205
Energy: 0.18578186425560755
Energy: 0.19048027565393535
Energy: 0.18975140114249833

minimum gb energy = 0.0184343567396253 eV
minimum distance =  2.51170686652782 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.4899771806045583
Energy: 1.383175474569129
Energy: 1.3871373287065842
Energy: 1.3867893599948329
Energy: 1.4624629556435331
Energy: 1.456595625504449
Energy: 1.383165585814778
Energy: 1.387091605731662
Energy: 1.3867849185952326
Energy: 1.4613759077228163
Energy: 1.3632833651439948
Energy: 1.4998347944707089
Energy: 1.3865997276259194
Energy: 1.3862486513982044
Energy: 1.3722125786715944
Energy: 1.362199306923198
Energy: 1.5465316642879168
Energy: 1.386294937371882
Energy: 1.388610877893145
Energy: 1.370636648998841
Energy: 1.371423729494227
Energy: 1.5278657521046344
Energy: 1.2882705670682244
Energy: 1.3684209508089142
Energy: 1.371843672910681
Energy: 1.3729325970730741
Energy: 1.5279884325995188
Energy: 1.288551135177663
Energy: 1.373815474133146
Energy: 1.3731181466615818
Energy: 1.3726538368323076
Energy: 1.3883797557889572
Energy: 1.465619429239843
Energy: 1.37440195472448
Energy: 1.3737214469510175
Energy: 1.3743973222208696
Energy: 1.3763970554849607
Energy: 1.289152426003508
Energy: 1.3732956001682604
Energy: 1.3735891863658638
Energy: 1.4251831474329244
Energy: 1.4706673438161304
Energy: 1.4995837644204189
Energy: 1.4165368197868433
Energy: 1.3130277760566036
Energy: 1.4505404669503743
Energy: 1.4685016216600117
Energy: 1.4994272188795723
Energy: 1.2356234740116125
Energy: 1.3137419279952285
Energy: 1.5326364804724897
Energy: 1.4671578060775203
Energy: 1.5001549845447582
Energy: 1.2352398959466424
Energy: 1.5007890643563138
Energy: 1.5344737459633124
Energy: 1.5358751822835846
Energy: 1.5002792018305318
Energy: 1.2358983876838634
Energy: 1.4996433311777837
Energy: 1.4265027346046442
Energy: 1.3765742958031975
Energy: 1.54105695488978
Energy: 1.236737861753113
Energy: 1.4274832117770808
Energy: 1.4447943428537664
Energy: 1.3770091128483586
Energy: 1.3151390795773386
Energy: 1.2347750594175477
Energy: 1.4262009433714804
Energy: 1.4543430326994866
Energy: 1.4233138131748457
Energy: 1.5138853774724803
Energy: 1.514383771382827
Energy: 1.424937307746152
Energy: 1.4252202434121353
Energy: 1.4245819709238035
Energy: 1.515301255743749
Energy: 1.5144198382625362
Energy: 1.4241761241594024
Energy: 1.4258516353278399
Energy: 1.2590236373516668
Energy: 1.2766242315172383
Energy: 1.48473995915336
Energy: 1.4240195960549953
Energy: 1.4259153365953205
Energy: 1.2199284478944352
Energy: 1.2652174571849832
Energy: 1.2257831484617239
Energy: 1.4241938767062037
Energy: 1.535171197017246
Energy: 1.3061375665888697
Energy: 1.2350044868638095
Energy: 1.301818206548747
Energy: 1.2874576763699037
Energy: 1.3017358838846032
Energy: 1.2365508728229353
Energy: 1.2353192258774321
Energy: 1.30165023188138
Energy: 1.2888083679586664
Energy: 1.3102600761998295
Energy: 1.3055030599379742
Energy: 1.3054286248720068
Energy: 1.3024280054694994
Energy: 1.289705048622299
Energy: 1.3095361819545086
Energy: 1.2349490151169074
Energy: 1.3059956901620353
Energy: 1.3024157472310833
Energy: 1.2886752071145788
Energy: 1.4880738718660866
Energy: 1.2241033014583906
Energy: 1.486935004295295
Energy: 1.4805649311323121
Energy: 1.4287379169063685
Energy: 1.4894020883807375
Energy: 1.2251678319566581
Energy: 1.486810176936164
Energy: 1.3903008980753195
Energy: 1.4296572097317426
Energy: 1.4882760734988194
Energy: 1.4068684575961363
Energy: 1.486851905081117
Energy: 1.4674229585912535
Energy: 1.53261537228074
Energy: 1.4907478805704077
Energy: 1.2233853525257359
Energy: 1.4877112299185713
Energy: 1.4686209233193444
Energy: 1.5322095839851586
Energy: 1.223073428815424
Energy: 1.2243548984051074
Energy: 1.415079100282525
Energy: 1.4147949766294146
Energy: 1.417316031511035
Energy: 1.2228084098969865
Energy: 1.2242388776874389
Energy: 1.4158260394323923
Energy: 1.4149332761713511
Energy: 1.4443062170928143
Energy: 1.5088017843171821
Energy: 1.4115569916654729
Energy: 1.4151100662427438
Energy: 1.4144835754509189
Energy: 1.5168967053953752
Energy: 1.5083652520850968
Energy: 1.4116672384690994
Energy: 1.4147517030766867
Energy: 1.4144505927401532
Energy: 1.5141742688995383
Energy: 1.1573639468294108
Energy: 1.4208803833793378
Energy: 1.41534873317988
Energy: 1.413901198540301
Energy: 1.2253543176300332
Energy: 1.1574446288946392
Energy: 1.4214843441666871
Energy: 1.4169548898065527
Energy: 1.4139601836568734
Energy: 1.2258556979186142
Energy: 1.3096453687154468
Energy: 1.366592076189048
Energy: 1.2879865806521087
Energy: 1.3059732590506892
Energy: 1.2237114646792828
Energy: 1.3110371927645794
Energy: 1.3635299002637906
Energy: 1.2886070072269056
Energy: 1.3120221727323282
Energy: 1.2240253494451607
Energy: 1.3105095707821086
Energy: 1.2836948236617771
Energy: 1.2879385289410668
Energy: 1.3055344471150752
Energy: 1.1894157618218406
Energy: 1.3123323205841262
Energy: 1.283937302578985
Energy: 1.2883779276456475
Energy: 1.3117886710656201
Energy: 1.1887451234174862
Energy: 1.4500733928753864
Energy: 1.4363434539098232
Energy: 1.4832391039164097
Energy: 1.2359494985596413
Energy: 1.2355491609368736
Energy: 1.4064381120936311
Energy: 1.4156592444802507
Energy: 1.4830217863439974
Energy: 1.2354731043195601
Energy: 1.2968309858780125
Energy: 1.5328152749292379
Energy: 1.5297250039921133
Energy: 1.4834476164620476
Energy: 1.2347618494750516
Energy: 1.4841288970478475
Energy: 1.5329842378165843
Energy: 1.529775613958243
Energy: 1.4833667789054001
Energy: 1.3716918965076077
Energy: 1.4831556620579716
Energy: 1.424702303649295
Energy: 1.444720111353062
Energy: 1.541081058065975
Energy: 1.2364739420249824
Energy: 1.6666891387132856
Energy: 1.4435159509463955
Energy: 1.5483192714882272
Energy: 1.29698056586894
Energy: 1.236381785085197
Energy: 1.3931212709372782
Energy: 1.4531049939284826
Energy: 1.4233464522703776
Energy: 1.5140219836865498
Energy: 1.257434862748768
Energy: 1.4252084176710964
Energy: 1.4526279276255571
Energy: 1.4245175961069383
Energy: 1.2527427110004004
Energy: 1.5146224719197094
Energy: 1.4243938930846372
Energy: 1.4262586227843725
Energy: 1.4248970518562707
Energy: 1.157020823941352
Energy: 1.4618716690718492
Energy: 1.424571377555914
Energy: 1.4258502764719514
Energy: 1.2593915273847567
Energy: 1.1676745381474123
Energy: 1.2375026574817591
Energy: 1.4244287167125458
Energy: 1.31846249452577
Energy: 1.2363344149358468
Energy: 1.2351608037925554
Energy: 1.3160064755171899
Energy: 1.2879447007747804
Energy: 1.3184001191580812
Energy: 1.2359361300389244
Energy: 1.2358629191879267
Energy: 1.3185747473861713
Energy: 1.2889340380644592
Energy: 1.364243883070926
Energy: 1.321569541141369
Energy: 1.3220358545558033
Energy: 1.3182435466356957
Energy: 1.2899163965214875
Energy: 1.3114186973527595
Energy: 1.321773716041935
Energy: 1.3225007148194663
Energy: 1.318277576846195
Energy: 1.2884731676590722
Energy: 1.5504664951920308
Energy: 1.2369451730466168
Energy: 1.2630930723427674
Energy: 1.4567195748423243
Energy: 1.3768397901291038
Energy: 1.3738913142048184
Energy: 1.4801305646682401
Energy: 1.3627474885513486
Energy: 1.4522388089706795
Energy: 1.3767381000028094
Energy: 1.5492141817984593
Energy: 1.371652301581397
Energy: 1.5491049658795404
Energy: 1.528975637348066
Energy: 1.5332190565563504
Energy: 1.5503463014710157
Energy: 1.3709525778025864
Energy: 1.549009269755008
Energy: 1.4677823104717038
Energy: 1.5326772491464187
Energy: 1.3621774311289867
Energy: 1.3714867232355736
Energy: 1.3867051205046643
Energy: 1.385016248127177
Energy: 1.4388066775856927
Energy: 1.3616010016541735
Energy: 1.3703528720727356
Energy: 1.3871480150499713
Energy: 1.3854095136609192
Energy: 1.442166431216967
Energy: 1.4568630150968307
Energy: 1.3834528217064945
Energy: 1.3869076687185298
Energy: 1.3865235099730018
Energy: 1.4616427161381564
Energy: 1.4569095470038387
Energy: 1.3831584820072105
Energy: 1.3870349842312688
Energy: 1.3867504933599326
Energy: 1.4619604580525347

minimum gb energy = 1.157020823941352 eV
minimum distance =  2.36447748617837 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.8386105291080304
Energy: 1.7942857787608795
Energy: 1.7933606785848049
Energy: 1.7938697740105978
Energy: 1.6968162445053068
Energy: 1.721961483085122
Energy: 1.7942238807618613
Energy: 1.5368471735605627
Energy: 1.793649035463187
Energy: 1.7699420700052166
Energy: 1.6880474624097956
Energy: 1.8013261931972047
Energy: 1.5368475489017717
Energy: 1.5640549679770457
Energy: 1.596931640286386
Energy: 1.620069954949989
Energy: 1.7937679371300543
Energy: 1.5790312454018192
Energy: 1.564306543749709
Energy: 1.6686654228186424
Energy: 1.6226141658997189
Energy: 1.9046265133475901
Energy: 1.8742526020449064
Energy: 1.6860713466579607
Energy: 1.6678998738397866
Energy: 1.6191553037707325
Energy: 1.9046391377889582
Energy: 1.883586845944662
Energy: 1.6750998258487684
Energy: 1.6202512263987157
Energy: 1.6469961758335538
Energy: 1.630475335527025
Energy: 1.5574542812841912
Energy: 1.6189311752503024
Energy: 1.5653431068872425
Energy: 1.6609442105028522
Energy: 1.6672436710874847
Energy: 1.5519137420833578
Energy: 1.631506610825961
Energy: 1.687155167064045
Energy: 1.88517452520873
Energy: 1.6125700063510855
Energy: 1.8380033044509436
Energy: 1.9382827594424124
Energy: 1.811902673045043
Energy: 1.81260631245354
Energy: 1.567810980793583
Energy: 1.7772437400743575
Energy: 1.7939725265821183
Energy: 1.854500542193301
Energy: 1.886943201859241
Energy: 1.8973672047308694
Energy: 1.8484818481439285
Energy: 1.5936584867221693
Energy: 1.8289862162564074
Energy: 1.8511493955022076
Energy: 1.8393718015236948
Energy: 1.8168020087775878
Energy: 1.6664745430989156
Energy: 1.912191835339785
Energy: 1.6335896632250817
Energy: 1.699839127683858
Energy: 1.800974478473586
Energy: 1.6306041779732854
Energy: 1.61640902420013
Energy: 1.6638695807438573
Energy: 1.6857956713796274
Energy: 1.9007708804434478
Energy: 1.6300589020685015
Energy: 1.6952724216326762
Energy: 1.6482848320731827
Energy: 1.6073071945201525
Energy: 1.9034067393220546
Energy: 1.9032053748587243
Energy: 1.7416353766250203
Energy: 1.5675456695796877
Energy: 1.5949042819397703
Energy: 1.903476568440178
Energy: 1.9035278260226747
Energy: 1.6639442865209488
Energy: 1.6505074148768182
Energy: 1.7227231495883433
Energy: 1.6813889482086595
Energy: 1.6072792019777995
Energy: 1.6301389954325112
Energy: 1.7223438882199362
Energy: 1.6590847678665845
Energy: 1.6231333881695282
Energy: 1.6325604444236106
Energy: 1.6594281225354957
Energy: 1.9015795625827143
Energy: 1.838908067473449
Energy: 1.6125121837936662
Energy: 1.8083352316289798
Energy: 1.9279134286025275
Energy: 1.853786442498171
Energy: 1.8344848854205367
Energy: 1.5729422017854457
Energy: 1.8449447388713327
Energy: 1.9359625828077776
Energy: 1.9173899653419417
Energy: 1.865981178726039
Energy: 1.8938463600788065
Energy: 1.8730399456212838
Energy: 1.6693645448787975
Energy: 1.8701519235176407
Energy: 1.7839450490921402
Energy: 1.793098112114365
Energy: 1.8695704887867552
Energy: 1.8804993312646539
Energy: 1.5915322254116133
Energy: 1.6421734711096558
Energy: 1.7979004531410099
Energy: 1.8399677536736672
Energy: 1.7237540693162194
Energy: 1.6436824151420464
Energy: 1.6445477627154008
Energy: 1.7205551766080784
Energy: 1.8308958704137135
Energy: 1.7219596598491371
Energy: 1.7093110174942163
Energy: 1.6206107729795316
Energy: 1.7127181590778355
Energy: 1.8816709925018473
Energy: 1.695079323483761
Energy: 1.7251798025056981
Energy: 1.6854880381013109
Energy: 1.7045239083980586
Energy: 1.8739195537963182
Energy: 1.6989098208905815
Energy: 1.6667659081538715
Energy: 1.6737839943525537
Energy: 1.7382182475098034
Energy: 1.6113556695643019
Energy: 1.8712075173972493
Energy: 1.6561741078283443
Energy: 1.6748777209160206
Energy: 1.6977139080757055
Energy: 1.7014596082179392
Energy: 1.8320241230962444
Energy: 1.8851381125064854
Energy: 1.8827804474659433
Energy: 1.919634203827072
Energy: 1.8630241098764657
Energy: 1.8475718591888397
Energy: 1.805786463823595
Energy: 1.8619493230334818
Energy: 1.88576806205975
Energy: 1.8426996132917532
Energy: 1.8115586973284852
Energy: 1.9431355311559093
Energy: 1.8769490594428697
Energy: 1.611883549365935
Energy: 1.9168801527352892
Energy: 1.635837933182951
Energy: 1.8958232318958221
Energy: 1.8520465173045726
Energy: 1.630015893229542
Energy: 1.8850864048983587
Energy: 1.6034900381230461
Energy: 1.6953061928196382
Energy: 1.6281658127175074
Energy: 1.7121511617120468
Energy: 1.7646096331942032
Energy: 1.6466599674266544
Energy: 1.7132482574163894
Energy: 1.653130462583513
Energy: 1.6532715531287312
Energy: 1.7113962885691425
Energy: 1.560682495385756
Energy: 1.7477568640755041
Energy: 1.7269664159818439
Energy: 1.6998015056949698
Energy: 1.8286357831874447
Energy: 1.6053565158379615
Energy: 1.7557560990343994
Energy: 1.7259657421639896
Energy: 1.699690641336498
Energy: 1.6719917552751213
Energy: 1.7061117008984918
Energy: 1.9172613806207313
Energy: 1.675889944124086
Energy: 1.6406703846063595
Energy: 1.757594081643062
Energy: 1.660928591869595
Energy: 1.933552786576282
Energy: 1.6729144048298117
Energy: 1.7224262163098725
Energy: 2.019031176840736
Energy: 1.6837684928089018
Energy: 1.915214535451793
Energy: 1.933266504063582
Energy: 1.8743853511203106
Energy: 1.8495364910865464
Energy: 1.820352477809118
Energy: 1.901522746320831
Energy: 1.9492809201191337
Energy: 1.82989196309207
Energy: 1.8744437055987093
Energy: 1.8538141172843092
Energy: 1.645239224973993
Energy: 1.8859668523901636
Energy: 1.6573545049455307
Energy: 1.614400525092527
Energy: 1.8835781428678895
Energy: 1.642427216013863
Energy: 1.879581019259878
Energy: 1.6445993317075844
Energy: 1.6202561239365754
Energy: 1.8331903739551854
Energy: 1.6093884768364701
Energy: 1.6946688728317523
Energy: 1.6934563527099058
Energy: 1.6387289869311863
Energy: 1.7443611920622535
Energy: 1.5648082889026214
Energy: 1.6262827754195466
Energy: 1.642420086016739
Energy: 1.5973451746295098
Energy: 1.6742018353991
Energy: 1.6271946546506035
Energy: 1.7545615581421639
Energy: 1.7255450034926556
Energy: 1.7262976488304183
Energy: 1.6912117038620416
Energy: 1.761898635386267
Energy: 1.7585490437757376
Energy: 1.7260435840518142
Energy: 1.7274969426191187
Energy: 1.7497680845402017
Energy: 1.6787992989840974
Energy: 1.9054658553169561
Energy: 1.6022238638897406
Energy: 1.6640087643214325
Energy: 1.9655053949093377
Energy: 1.6846037752789023
Energy: 1.9907995426599234
Energy: 1.628553757750671
Energy: 1.6432195266041874
Energy: 1.9781141859523126
Energy: 1.8011720272733682
Energy: 1.9458194178527275
Energy: 1.949602305753424
Energy: 1.8249453497516814
Energy: 1.8999580040608215
Energy: 1.7924644629409365
Energy: 1.9484641437314716
Energy: 1.9493814580979971
Energy: 1.7399372031863622
Energy: 1.7862465940332835
Energy: 1.9087726904786342
Energy: 1.6472561157475143
Energy: 1.9632264493493008
Energy: 1.6334896456991994
Energy: 1.6209546889916826
Energy: 1.9454567668909775
Energy: 1.7183072758398341
Energy: 1.7254486188129499
Energy: 1.6452481722503667
Energy: 1.6471522840295678
Energy: 1.7410115682361131
Energy: 1.6516090078579422
Energy: 1.7774097239538518
Energy: 1.6621698234014095
Energy: 1.7126196553621882
Energy: 1.7342488934850093
Energy: 1.5997050865876925
Energy: 1.7135501651407805
Energy: 1.6732325271307096
Energy: 1.7244263047212853
Energy: 1.6775726518848069
Energy: 1.908321286254234
Energy: 1.721250128629171
Energy: 1.6854782479640174
Energy: 1.6946893380357968
Energy: 1.8675697651104748
Energy: 1.9079015989942625
Energy: 1.7103293224185057
Energy: 1.6203526340417718
Energy: 1.6954998628953788
Energy: 1.908360780088011
Energy: 1.821721917678604
Energy: 1.9008902517557518
Energy: 1.6063354636882223
Energy: 1.9405698872664032
Energy: 1.6016395891022692
Energy: 1.8351990240150116
Energy: 1.8779195235922352
Energy: 1.604044618468272
Energy: 1.9427873588486817
Energy: 1.8509623106922304
Energy: 1.815924026797064
Energy: 1.9022849848596817
Energy: 1.9100653082767038
Energy: 1.8674499708111607
Energy: 1.8779034927967073
Energy: 1.8834323124466832
Energy: 1.6496334352027944
Energy: 1.8762381194896178
Energy: 1.8543640242202832
Energy: 1.6744366255864278
Energy: 1.9458305479694218
Energy: 1.6274077431903828
Energy: 1.643408404512159
Energy: 1.7047294407070195
Energy: 1.7593048949741426
Energy: 1.9330510519062643
Energy: 1.6582408357378207
Energy: 1.6513616494230572
Energy: 1.6881605424350716
Energy: 1.6370231574218201
Energy: 1.9044518298104447
Energy: 1.8742135445875765
Energy: 1.700575039390828
Energy: 1.6699429254769984
Energy: 1.624912210530065
Energy: 1.9044617808471396
Energy: 1.8818402730079964
Energy: 1.6841725829497156
Energy: 1.606601001267875
Energy: 1.6827702475829434
Energy: 1.695483240461871
Energy: 1.6977364346724602
Energy: 1.661204762270888
Energy: 1.563641091679249
Energy: 1.7137876956906335
Energy: 1.6992618408358457
Energy: 1.6662980096539162
Energy: 1.7482102669463482
Energy: 1.662484346805277
Energy: 1.909266343418601
Energy: 1.5814580931638151
Energy: 1.8393468392481345
Energy: 1.948764758995594
Energy: 1.8718877199425374
Energy: 1.985023272984833
Energy: 1.6108690797776186
Energy: 1.8280642502371156
Energy: 1.987601848966762
Energy: 1.8874404816547483
Energy: 1.8006123233150784
Energy: 1.8781430513644768
Energy: 1.814240932998831
Energy: 1.7350197532534195
Energy: 1.9483158770738374
Energy: 1.7960763690811214
Energy: 1.8138232673564931
Energy: 1.947188193826255
Energy: 1.6942843033426824
Energy: 1.9468123657024625
Energy: 1.6633886722664903
Energy: 1.7742794535382918
Energy: 1.8873478430444532
Energy: 1.6848599451933572
Energy: 1.7179323847076777
Energy: 1.6595932655913201
Energy: 1.6996690008184716
Energy: 1.9487029408268035
Energy: 1.7381076709957803
Energy: 1.6807097248502776
Energy: 1.6208318862451585
Energy: 1.7609110164740933
Energy: 1.9032383001063864
Energy: 1.9032459657940428
Energy: 1.8128877099969765
Energy: 1.5619388464466106
Energy: 1.7617495348165624
Energy: 1.9033151493501301
Energy: 1.9035740311978757
Energy: 1.764462478004538
Energy: 1.677040487757651
Energy: 1.7619305341360594
Energy: 1.6624581847238826
Energy: 1.9176977678260723
Energy: 1.6251404645412328
Energy: 1.7162437633345915
Energy: 1.751717316210387
Energy: 1.617478236312217
Energy: 1.650852363991818
Energy: 1.6264049679675325
Energy: 1.9298114167720881
Energy: 1.8610905753728655
Energy: 1.6302073485569801
Energy: 1.8329460651303928
Energy: 1.8790514274885135
Energy: 1.9091403944029348
Energy: 1.921559466425641
Energy: 1.628812149134156
Energy: 1.8647608362442187
Energy: 1.8655995311088869
Energy: 1.915485430339784
Energy: 1.8734675632310964
Energy: 1.8542168532371808
Energy: 1.8714057852155261
Energy: 1.7157793789437272
Energy: 1.9367268595038252
Energy: 1.8850731130429557
Energy: 1.8475059307212196
Energy: 1.878200567447384
Energy: 1.9413137960890274
Energy: 1.7167497820647042
Energy: 1.6643423999565494
Energy: 1.7697610467600122
Energy: 1.9653589576831472
Energy: 1.7393248753573947
Energy: 1.5854926154083142
Energy: 1.618860315910431
Energy: 1.7309165246276537
Energy: 1.8162618918041966
Energy: 1.6873758472333351
Energy: 1.744167488406927
Energy: 1.670264899873881
Energy: 1.689121329449141
Energy: 1.8828615136137035
Energy: 1.7603213961475037
Energy: 1.6915151063466989
Energy: 1.685172928002845
Energy: 1.7456331665549283
Energy: 1.8730477546576967
Energy: 1.7610931274993047
Energy: 1.64678261341592
Energy: 1.621657884517327
Energy: 1.6892522070227967
Energy: 1.6487875691885987
Energy: 1.9008668411578895
Energy: 1.709972268407981
Energy: 1.6580654781573552
Energy: 1.7572930588394478
Energy: 1.6275780985481363
Energy: 1.8688320712883604
Energy: 1.9354687092380247
Energy: 1.8132973308079423
Energy: 1.8985967942243198
Energy: 1.8322500329170723
Energy: 1.8099286206779992
Energy: 1.8426200567820037
Energy: 1.8760868468835319
Energy: 1.91483145321267
Energy: 1.877610242390668
Energy: 1.8330646707119271
Energy: 1.8852966525688555
Energy: 1.8552164376535802
Energy: 1.581716447180769
Energy: 1.8798877845539708
Energy: 1.6058976374653027
Energy: 1.8491778689067064
Energy: 1.8914847727133441
Energy: 1.6254292155817909
Energy: 1.9259644155856717
Energy: 1.6318773342599886
Energy: 1.6371667096665012
Energy: 1.6892875821231152
Energy: 1.6699150925139787
Energy: 1.7503931604446035
Energy: 1.5900420644570277
Energy: 1.7171443085529177
Energy: 1.6739958087949323
Energy: 1.712523986780104
Energy: 1.7550610730396916
Energy: 1.5639464839382657
Energy: 1.7035600195834075
Energy: 1.726836710357908
Energy: 1.6994091708536643
Energy: 1.7037705206691083
Energy: 1.5545539020534647
Energy: 1.7107162823196755
Energy: 1.7256882823530315
Energy: 1.6993605304317154
Energy: 1.6807792889325837
Energy: 1.6767803926885627
Energy: 1.823140042979398
Energy: 1.6715743900360123
Energy: 1.672223805382744
Energy: 1.6836923810142266
Energy: 1.6320121030968007
Energy: 1.8244353170270964
Energy: 1.7035289278798513
Energy: 1.6432072330823415
Energy: 1.9729064312327416
Energy: 1.675070473614092
Energy: 1.916719096016793
Energy: 1.919541214058496
Energy: 1.816693239448608
Energy: 1.8735712817782377
Energy: 1.7951672495952502
Energy: 1.8751185722241313
Energy: 1.9120280642950773
Energy: 1.8417260231668953
Energy: 1.8914268069026203
Energy: 1.814892194231093
Energy: 1.6611107749942982
Energy: 1.915556552181962
Energy: 1.6016347000898181
Energy: 1.615108992132319
Energy: 1.9120069043317898
Energy: 1.6177361222275646
Energy: 1.9071507165309005
Energy: 1.6696818476410604
Energy: 1.6573807696958023
Energy: 1.8977906716298631
Energy: 1.6595229113748995
Energy: 1.6675892968899493
Energy: 1.62954789911454
Energy: 1.6098533924603287
Energy: 1.7584033436064563
Energy: 1.5645160662160056
Energy: 1.6613122033093233
Energy: 1.606281869168326
Energy: 1.6114674828098257
Energy: 1.688092880183945
Energy: 1.6268829736125334
Energy: 1.7394704239578995
Energy: 1.6990945909049548
Energy: 1.7263894691428239
Energy: 1.6232367825479248
Energy: 1.761617294965086
Energy: 1.7471528008552262
Energy: 1.6991534587239516
Energy: 1.7274922072525607
Energy: 1.6258443931754825
Energy: 1.5781223856180855
Energy: 1.869209534456589
Energy: 1.710965540489464
Energy: 1.7154356151874541
Energy: 1.9123184179700525
Energy: 1.6129001728562622
Energy: 1.8891475414872205
Energy: 1.6186091627222017
Energy: 1.675401097157821
Energy: 1.8721151098163995
Energy: 1.886243761488184
Energy: 1.8626500048733663
Energy: 1.8413169781194458
Energy: 1.7784955943800058
Energy: 1.8535910247473557
Energy: 1.8121472965852636
Energy: 1.8681267054741983
Energy: 1.8144053847851123
Energy: 1.8409251364801347
Energy: 1.896672240328486
Energy: 1.9495212913312048
Energy: 1.5598275823490444
Energy: 1.8088329494963704
Energy: 1.585866649516147
Energy: 1.5599911478592232
Energy: 1.8258072819092144
Energy: 1.6196073468850818
Energy: 1.5786547067970933
Energy: 1.648441229217716
Energy: 1.6117860905611499
Energy: 1.6444945033456766
Energy: 1.6647672137692382
Energy: 1.617145875815758
Energy: 1.5491150554629491
Energy: 1.573801001251904
Energy: 1.6455155461683917
Energy: 1.6077071396118783
Energy: 1.6423051143429341
Energy: 1.5533280390598696
Energy: 1.5909868429080503
Energy: 1.6428578006848717
Energy: 1.7615228560431857
Energy: 1.702674178224064
Energy: 1.6850880200858436
Energy: 1.6179445775485928
Energy: 1.87731837131333
Energy: 1.9079547915866217
Energy: 1.6710312785202368
Energy: 1.613352659865648
Energy: 1.6573763095667768
Energy: 1.9099065939058941
Energy: 1.8786045536739346
Energy: 1.9462778090431627
Energy: 1.5348964207676392
Energy: 1.7915806691358585
Energy: 1.5981495628036102
Energy: 1.8177094088295882
Energy: 1.7938470050981503
Energy: 1.578302019015584
Energy: 1.8754650233871533

minimum gb energy = 1.5348964207676392 eV
minimum distance =  2.27858299322313 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

Energy: 1.7052573212083444
Energy: 1.5649022216569002
Energy: 1.5659800948523446
Energy: 1.5647620459941516
Energy: 1.6354540757190226
Energy: 1.6321801095580704
Energy: 1.5646613226291675
Energy: 1.5666180003613581
Energy: 1.565569657348418
Energy: 1.6489882755374545
Energy: 1.6554163519030562
Energy: 1.7862813961052255
Energy: 1.566615610622394
Energy: 1.5657939491677622
Energy: 1.665180513028662
Energy: 1.72407071524714
Energy: 1.7589387964643293
Energy: 1.566519598479254
Energy: 1.5675625197048897
Energy: 1.622976473050476
Energy: 1.8585825844278474
Energy: 1.8590279485321626
Energy: 1.8484826127718672
Energy: 1.8769919613533033
Energy: 1.8285401330567799
Energy: 1.8866755547608516
Energy: 1.8453862348165277
Energy: 1.8486711231920625
Energy: 1.8747606369544711
Energy: 1.8169631355529137
Energy: 1.882140857044163
Energy: 1.5671358258754646
Energy: 1.7576844676688024
Energy: 1.8852462906483085
Energy: 1.6359258204650262
Energy: 1.8613965405598136
Energy: 1.571161736158758
Energy: 1.7364334222718971
Energy: 1.8751883427913492
Energy: 1.8637966251020393
Energy: 1.835929264752562
Energy: 1.6464783644680636
Energy: 1.6517156245000482
Energy: 1.6487601903206368
Energy: 1.6023786424125748
Energy: 1.7454475307210076
Energy: 1.6461785056663536
Energy: 1.6066696210570353
Energy: 1.6568926912456359
Energy: 1.6479556341015777
Energy: 1.570602679337672
Energy: 1.7186115656565346
Energy: 1.602305992220803
Energy: 1.6519631720163115
Energy: 1.602803508013523
Energy: 1.718906427880389
Energy: 1.6728176002397253
Energy: 1.6595478378662976
Energy: 1.659401743878761
Energy: 1.6597336193049133
Energy: 1.6867918786414866
Energy: 1.881246283510493
Energy: 1.8528737035229343
Energy: 1.6030415868616563
Energy: 1.6475114390450447
Energy: 1.5928081618889283
Energy: 1.8702291661584474
Energy: 1.853961395177032
Energy: 1.6561438913993083
Energy: 1.656670836824702
Energy: 1.8258304243771422
Energy: 1.8562423272981503
Energy: 1.8576363123455915
Energy: 1.8508120863436084
Energy: 1.772345790882235
Energy: 1.6410660313408945
Energy: 1.853727241902727
Energy: 1.8573281663743226
Energy: 1.852104787048052
Energy: 1.882469703487623
Energy: 1.6401221149635345
Energy: 1.8524358707025854
Energy: 1.6226622859126039
Energy: 1.852755777358002
Energy: 1.8519392620939201
Energy: 1.8580311958396507
Energy: 1.852173593899889
Energy: 1.6830663685241094
Energy: 1.8549709297129704
Energy: 1.859916624341599
Energy: 1.5905328892162838
Energy: 1.7027578930695624
Energy: 1.6465519368572676
Energy: 1.6703940046241759
Energy: 1.6691017687898824
Energy: 1.5908818460003198
Energy: 1.5726552220980512
Energy: 1.646978285717914
Energy: 1.6778486043246088
Energy: 1.676532632134679
Energy: 1.6712109848562993
Energy: 1.7387487429842108
Energy: 1.880505171835588
Energy: 1.5902148868701842
Energy: 1.6335655835497942
Energy: 1.5904656003942679
Energy: 1.8673620792701175
Energy: 1.8656306303409969
Energy: 1.645466982511176
Energy: 1.6085903148528131
Energy: 1.6767947641677208
Energy: 1.7064557462441292
Energy: 1.7142664181096303
Energy: 1.7029974557298806
Energy: 1.662327031840165
Energy: 1.6693612888414786
Energy: 1.6857693770290851
Energy: 1.7142825200434566
Energy: 1.7026333186064342
Energy: 1.6360152434121993
Energy: 1.662237744443981
Energy: 1.607933041193251
Energy: 1.7037163734556244
Energy: 1.7057609464042736
Energy: 1.7078669876553196
Energy: 1.8221809120645032
Energy: 1.8941741522873103
Energy: 1.7059733760049578
Energy: 1.7072979654157803
Energy: 1.707641966641247
Energy: 1.7009877265897926
Energy: 1.6501118459378215
Energy: 1.7008660597588439
Energy: 1.6728301299848072
Energy: 1.7024052510102368
Energy: 1.8423954648783616
Energy: 1.6503845198960885
Energy: 1.7010011744601474
Energy: 1.6737182927986571
Energy: 1.7026859666521728
Energy: 1.7260711094494294
Energy: 1.7716871545806017
Energy: 1.8930559685966704
Energy: 1.723153923500681
Energy: 1.8032194587165153
Energy: 1.7511689046292365
Energy: 1.7463007145707543
Energy: 1.8343437254410875
Energy: 1.8635998750016236
Energy: 1.805274738712007
Energy: 1.807163401619801
Energy: 1.7466434005202782
Energy: 1.5808069805988616
Energy: 1.880493456388993
Energy: 1.7662624784016026
Energy: 1.7697475909574476
Energy: 1.7455351542227144
Energy: 1.5804982363735594
Energy: 1.6690434968822536
Energy: 1.7648301087928329
Energy: 1.6276632368449135
Energy: 1.8054478867549875
Energy: 1.6730131951412597
Energy: 1.626679787964052
Energy: 1.633718505217909
Energy: 1.6279856547107727
Energy: 1.8026487264721858
Energy: 1.6764054465529659
Energy: 1.6266056728481753
Energy: 1.6316217150067225
Energy: 1.6274171562594026
Energy: 1.8450214246023076
Energy: 1.8600867332186939
Energy: 1.6284965479388356
Energy: 1.630826618184283
Energy: 1.6270092726587242
Energy: 1.8343992964607774
Energy: 1.8467862899717975
Energy: 1.6283576237515862
Energy: 1.631069480662554
Energy: 1.6279727144112783
Energy: 1.7013644435724575
Energy: 1.7490586526560978
Energy: 1.6294713790389468
Energy: 1.6325578941767875
Energy: 1.630188411215686
Energy: 1.674370834354254
Energy: 1.7349661719857798
Energy: 1.6292991602703486
Energy: 1.6315117032319206
Energy: 1.8486517760866574
Energy: 1.6356885346884122
Energy: 1.858722401288941
Energy: 1.894555479472011
Energy: 1.8321332582361751
Energy: 1.8485091002097007
Energy: 1.679816627881416
Energy: 1.8579291238364704
Energy: 1.894010972589874
Energy: 1.857393276051712
Energy: 1.8762556820547225
Energy: 1.7957318261258601
Energy: 1.8322001024694967
Energy: 1.6250700226235673
Energy: 1.9029105476822308
Energy: 1.8783015466985393
Energy: 1.8911108732458635
Energy: 1.8735378056074343
Energy: 1.6250503101930405
Energy: 1.9054439629040738
Energy: 1.673261346817834
Energy: 1.6769809561981395
Energy: 1.8129959739390074
Energy: 1.6252470536962773
Energy: 1.6746855577682613
Energy: 1.6756001195935433
Energy: 1.6701784549778478
Energy: 1.8015147705330556
Energy: 1.6724681746801766
Energy: 1.6742798177080696
Energy: 1.6713633410019486
Energy: 1.6727127285301244
Energy: 1.7185585582059106
Energy: 1.7155519001129114
Energy: 1.671411844610356
Energy: 1.6713768329942724
Energy: 1.6729933262577161
Energy: 1.7462652162112355
Energy: 1.7141676117199067
Energy: 1.6713784951516322
Energy: 1.6710763767333396
Energy: 1.6773712960668181
Energy: 1.6260374579084789
Energy: 1.876029554272167
Energy: 1.67222620484833
Energy: 1.670980106003571
Energy: 1.6773072185902747
Energy: 1.6246550880276893
Energy: 1.8526596682534668
Energy: 1.6716308310571406
Energy: 1.8474277281243368
Energy: 1.7708309180342778
Energy: 1.6069781100133318
Energy: 1.849228025928635
Energy: 1.7070442657345266
Energy: 1.847876021060878
Energy: 1.8175556353697018
Energy: 1.6133479065638636
Energy: 1.8511084639135869
Energy: 1.6928500882343258
Energy: 1.8508882640033772
Energy: 1.8224502250425254
Energy: 1.8836144304009523
Energy: 1.8433344730571202
Energy: 1.699578859459814
Energy: 1.8507932054958538
Energy: 1.8792526503816804
Energy: 1.8832634715004006
Energy: 1.843446307428175
Energy: 1.8493521878035677
Energy: 1.6759915518652833
Energy: 1.629464419433633
Energy: 1.6704216884893137
Energy: 1.5771752526921592
Energy: 1.792971572292026
Energy: 1.675640527598169
Energy: 1.6262496080185125
Energy: 1.683388295490585
Energy: 1.641809904143914
Energy: 1.6813455991091517
Energy: 1.670887750978979
Energy: 1.6561503233598045
Energy: 1.6690186122085118
Energy: 1.8715272038398623
Energy: 1.7275448978502148
Energy: 1.6711345486686577
Energy: 1.6697166649747286
Energy: 1.671391142190273
Energy: 1.57641887933327
Energy: 1.718676246454992
Energy: 1.6599893849789393
Energy: 1.6722037698358387
Energy: 1.6732908230332206
Energy: 1.6859424894973036
Energy: 1.7039149433627634
Energy: 1.669771738020969
Energy: 1.6723751142230636
Energy: 1.7025224215049446
Energy: 1.718277193453838
Energy: 1.7035188234864906
Energy: 1.7079787022130661
Energy: 1.705168731126929
Energy: 1.7789439002052265
Energy: 1.872216570336107
Energy: 1.7053955537647194
Energy: 1.708664349955608
Energy: 1.705322745915963
Energy: 1.769577284683542
Energy: 1.8272713173874406
Energy: 1.7051091050562077
Energy: 1.702134667478942
Energy: 1.7024744317182354
Energy: 1.6024488105668069
Energy: 1.7932403169957287
Energy: 1.7078422662355681
Energy: 1.702243139654318
Energy: 1.7023573002261954
Energy: 1.604469100490323
Energy: 1.7518839479540398
Energy: 1.7077766579338896
Energy: 1.7617226342261505
Energy: 1.812703754296671
Energy: 1.6877088914475054
Energy: 1.7737271847237859
Energy: 1.5873232599066198
Energy: 1.798242483713614
Energy: 1.8109770918950436
Energy: 1.6885724318781599
Energy: 1.767889985954397
Energy: 1.5881279307550906
Energy: 1.7661550812784825
Energy: 1.7575970917098427
Energy: 1.7596274312614795
Energy: 1.7660408623601946
Energy: 1.591948981213369
Energy: 1.7726814610237442
Energy: 1.7580523539793342
Energy: 1.7596274165319836
Energy: 1.7672829520915279
Energy: 1.6646185724781193
Energy: 1.627532612978848
Energy: 1.627254750432752
Energy: 1.8247720360178394
Energy: 1.7940800303330553
Energy: 1.7085866209054028
Energy: 1.6275018327538902
Energy: 1.6266712643882844
Energy: 1.821702105062235
Energy: 1.741275864140348
Energy: 1.766061909159821
Energy: 1.6254693994217992
Energy: 1.630455962884595
Energy: 1.6252108130474159
Energy: 1.6983338589034547
Energy: 1.6944645469786843
Energy: 1.6252859997779212
Energy: 1.6282574104476204
Energy: 1.6251719904790811
Energy: 1.6881531163042074
Energy: 1.690128938370512
Energy: 1.6265776095318276
Energy: 1.6310642363536112
Energy: 1.627684089441786
Energy: 1.6780246346525693
Energy: 1.796313790795215
Energy: 1.6263545994182829
Energy: 1.626761869354181
Energy: 1.6303218429280382
Energy: 1.6779320745856003
Energy: 1.830666353132211
Energy: 1.64635819484909
Energy: 1.8349718502514758
Energy: 1.8268788967708898
Energy: 1.6778070145629556
Energy: 1.8937237347804425
Energy: 1.6469675826079486
Energy: 1.8820440116522454
Energy: 1.828668478613111
Energy: 1.6785709770140869
Energy: 1.9075009120164694
Energy: 1.6443019650451807
Energy: 1.8992964074866308
Energy: 1.8749401100117782
Energy: 1.8684042664240486
Energy: 1.8440474996873244
Energy: 1.8977050651316527
Energy: 1.8947258072830095
Energy: 1.8757254631135225
Energy: 1.871659111075381
Energy: 1.832607255647977
Energy: 1.874193745608847
Energy: 1.6751930171969904
Energy: 1.6759787173113023
Energy: 1.8484468577527797
Energy: 1.6338380540187694
Energy: 1.771013354311591
Energy: 1.675232848356658
Energy: 1.6754162657096465
Energy: 1.8561867837358255
Energy: 1.6261930972577943
Energy: 1.570482273234148
Energy: 1.6708679684071137
Energy: 1.6718931358095077
Energy: 1.6727508490468388
Energy: 1.718866519694512
Energy: 1.570479963015717
Energy: 1.6708005971848359
Energy: 1.6713986865808184
Energy: 1.6721365700877893
Energy: 1.770309031018246
Energy: 1.857803365397824
Energy: 1.6723385835865654
Energy: 1.6719297151919783
Energy: 1.6801996027349162
Energy: 1.6681909349073052
Energy: 1.849833635765043
Energy: 1.6718350200690562
Energy: 1.6718372281147402
Energy: 1.682408333925924
Energy: 1.7123203749312723
Energy: 1.8433278616546669
Energy: 1.665471048812848
Energy: 1.795720685044463
Energy: 1.6563714723143164
Energy: 1.8416652361001173
Energy: 1.8483346252759292
Energy: 1.7474755905292598
Energy: 1.7720914222755577
Energy: 1.65658293257685
Energy: 1.8508794115724092
Energy: 1.663054441734793
Energy: 1.8535648070418738
Energy: 1.8537790635476317
Energy: 1.6974183497414312
Energy: 1.8250429060182018
Energy: 1.6421952537312978
Energy: 1.8468645480875447
Energy: 1.845617263317916
Energy: 1.6306305785294655
Energy: 1.8323323786785042
Energy: 1.6998762119056585
Energy: 1.68326352390534
Energy: 1.6818431243300296
Energy: 1.6304513686922633
Energy: 1.6803613260768209
Energy: 1.7025127957020127
Energy: 1.6768399462803878
Energy: 1.6784334512861374
Energy: 1.6271400541583068
Energy: 1.7025823633419146
Energy: 1.7699666981498055
Energy: 1.6733431811030741
Energy: 1.6746149870307283
Energy: 1.6748546465423355
Energy: 1.722390669974538
Energy: 1.7214180984129879
Energy: 1.6666122518195166
Energy: 1.6745449456783355
Energy: 1.6739301450473354
Energy: 1.7222742462231044
Energy: 1.6808029839955567
Energy: 1.689757199392805
Energy: 1.6245982532648169
Energy: 1.67767835568417
Energy: 1.6959894109293054
Energy: 1.6896776484706861
Energy: 1.6804561336071744
Energy: 1.6171621366860858
Energy: 1.6760638329110733
Energy: 1.7425345497059785
Energy: 1.678736341938518
Energy: 1.6921796156810198
Energy: 1.690953233358318
Energy: 1.642485976905584
Energy: 1.715231088939617
Energy: 1.6461127969288316
Energy: 1.6363703568575325
Energy: 1.6356046671055744
Energy: 1.6355493082846218
Energy: 1.7141038984931045
Energy: 1.6552310183492138
Energy: 1.678303004876925
Energy: 1.687899254729507
Energy: 1.6875721933008545
Energy: 1.6169676618650815
Energy: 1.642810668579137
Energy: 1.6022969983442836
Energy: 1.6789697521167404
Energy: 1.6787213860166
Energy: 1.6180832146650086
Energy: 1.7009535593576706
Energy: 1.5819587125768355
Energy: 1.6305035353705433
Energy: 1.7588265624115669
Energy: 1.6911736020313897
Energy: 1.730612290922638
Energy: 1.5845979588840535
Energy: 1.6897366843196988
Energy: 1.7893672681251336
Energy: 1.6450293561212035
Energy: 1.786931509379233
Energy: 1.7254282642756764
Energy: 1.7689674316026447
Energy: 1.804181393612999
Energy: 1.784684391677082
Energy: 1.8740499097965857
Energy: 1.8916915015862978
Energy: 1.7573064688471927
Energy: 1.8050710202429545
Energy: 1.7857780781597097
Energy: 1.6869861123360248
Energy: 1.6818527871656956
Energy: 1.5663959283650346
Energy: 1.5668984218987019
Energy: 1.7624962800665687
Energy: 1.6029947952235575
Energy: 1.6414014919474933
Energy: 1.5676836219458867
Energy: 1.5649986333232133
Energy: 1.8025143709982052
Energy: 1.628412967997625
Energy: 1.5655441950094462
Energy: 1.5664430012086805
Energy: 1.5645200559474037
Energy: 1.564357172983845
Energy: 1.5559648933565948
Energy: 1.5648723580108599
Energy: 1.5660241652319176
Energy: 1.5651597364910794
Energy: 1.6526322587726998

minimum gb energy = 1.5559648933565948 eV
minimum distance =  2.20983777507196 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.5195903880387793
Energy: 1.6261573362563981
Energy: 1.6277863088388866
Energy: 1.6266011061684156
Energy: 1.618625025307944
Energy: 1.742858113666919
Energy: 1.626319738708898
Energy: 1.6259962906992251
Energy: 1.6254296032576327
Energy: 1.689838525228932
Energy: 1.6290099097701023
Energy: 1.6266189362230592
Energy: 1.619061725975251
Energy: 1.7456329767500882
Energy: 1.6288891267830317
Energy: 1.6284482606590898
Energy: 1.6293326632231575
Energy: 1.631669238036843
Energy: 1.7470608901719042
Energy: 1.6306727131897505
Energy: 1.6233828761984945
Energy: 1.7742804909426324
Energy: 1.6969764445064444
Energy: 1.636135523426783
Energy: 1.75695836459122
Energy: 1.623587445509624
Energy: 1.7737988606666586
Energy: 1.6330265128941106
Energy: 1.6365942329003813
Energy: 1.7562491510059075
Energy: 1.754893935660807
Energy: 1.7396450991949015
Energy: 1.6220325367697943
Energy: 1.6349032171625253
Energy: 1.6121885770184898
Energy: 1.7752874112325923
Energy: 1.629544088448342
Energy: 1.6273173945744888
Energy: 1.635771387792178
Energy: 1.754816394765308
Energy: 1.7034142579582336
Energy: 1.699011457953011
Energy: 1.7122743002278522
Energy: 1.7391343340671472
Energy: 1.7029324781000121
Energy: 1.7053015275161667
Energy: 1.6254570527601713
Energy: 1.7137502158269828
Energy: 1.7406444571399615
Energy: 1.6255864633042825
Energy: 1.7000951936287996
Energy: 1.6955203920300046
Energy: 1.7047991964238804
Energy: 1.6044734941297163
Energy: 1.6268963580831384
Energy: 1.7006681151422676
Energy: 1.6952298790562423
Energy: 1.7043185740330455
Energy: 1.6105040351736188
Energy: 1.6268771734477807
Energy: 1.6300545448499681
Energy: 1.6271831234962189
Energy: 1.7194444132095086
Energy: 1.6264776699500343
Energy: 1.6272630907119072
Energy: 1.805525712951802
Energy: 1.704372281721956
Energy: 1.6303262186554013
Energy: 1.6271690905360905
Energy: 1.62736420407995
Energy: 1.7342479787029468
Energy: 1.6187003872319445
Energy: 1.7035711363047341
Energy: 1.7069048998742113
Energy: 1.7035465323331331
Energy: 1.6053131559616938
Energy: 1.6205199915705029
Energy: 1.7035405358738043
Energy: 1.7071257666543536
Energy: 1.6176064852887782
Energy: 1.60444719285775
Energy: 1.7030523660929873
Energy: 1.6238639246374373
Energy: 1.7093673191450767
Energy: 1.7059459687428375
Energy: 1.6042275291136003
Energy: 1.704579335881563
Energy: 1.6245657410770593
Energy: 1.7046084815443665
Energy: 1.621067873627692
Energy: 1.8123007624252572
Energy: 1.6285062113303916
Energy: 1.717594962890577
Energy: 1.704414826060571
Energy: 1.6273113673126574
Energy: 1.70927555240822
Energy: 1.627038012489225
Energy: 1.7383012436938021
Energy: 1.7046573090230424
Energy: 1.6278984838542836
Energy: 1.7518679751711703
Energy: 1.626970527148488
Energy: 1.6231509141384166
Energy: 1.7681939306785366
Energy: 1.7556798268955658
Energy: 1.7061235126023448
Energy: 1.624696089742486
Energy: 1.6230429426726967
Energy: 1.769381911171566
Energy: 1.6106854974176
Energy: 1.639378147732216
Energy: 1.6274616885883888
Energy: 1.6228642808007054
Energy: 1.7043054002084492
Energy: 1.6042171235755425
Energy: 1.6390596659026209
Energy: 1.630285537054319
Energy: 1.6227296099967485
Energy: 1.7066655076279162
Energy: 1.7655047871795244
Energy: 1.7597223096832937
Energy: 1.746816718532678
Energy: 1.621862142557165
Energy: 1.715455899475239
Energy: 1.6264040602326753
Energy: 1.7592767367704687
Energy: 1.6957316994842475
Energy: 1.6214584180613594
Energy: 1.716944087602169
Energy: 1.6262807893331241
Energy: 1.7052183662320304
Energy: 1.6946423002820272
Energy: 1.6242259580085723
Energy: 1.6136760612886623
Energy: 1.7108300899095799
Energy: 1.70752780499083
Energy: 1.6945489947199799
Energy: 1.6242584212193942
Energy: 1.6135318775870717
Energy: 1.7125143496257442
Energy: 1.613671243870966
Energy: 1.7075042820326825
Energy: 1.7009472970976944
Energy: 1.6257092064923324
Energy: 1.6280774199131571
Energy: 1.690342875177564
Energy: 1.703167795418876
Energy: 1.6272828299417015
Energy: 1.626026335293112
Energy: 1.63080032360971

minimum gb energy = 1.6042171235755425 eV
minimum distance =  2.30362434758973 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.5354787156396053
Energy: 1.3944365488158341
Energy: 1.451842852527149
Energy: 1.3999489028246048
Energy: 1.3577193125125262
Energy: 1.5338337688702808
Energy: 1.3936062361386492
Energy: 1.457116289406841
Energy: 1.45335842359023
Energy: 1.5858605450222427
Energy: 1.6026103766780613
Energy: 1.5292889053162428
Energy: 1.3988472322166288
Energy: 1.5014328655912372
Energy: 1.404708537485651
Energy: 1.570233240874144
Energy: 1.3886020997255424
Energy: 1.4512223100659896
Energy: 1.540546738160764
Energy: 1.7020543256666665
Energy: 1.5148310151973123
Energy: 1.570895065487749
Energy: 1.5162985664697504
Energy: 1.5364783842165748
Energy: 1.6154079046549945
Energy: 1.5400743529123837
Energy: 1.531005157210293
Energy: 1.5727146022031722
Energy: 1.554762045309699
Energy: 1.5809663575263833
Energy: 1.6158134645841944
Energy: 1.523822034916164
Energy: 1.6496611754866342
Energy: 1.5347848867880198
Energy: 1.5897415848811942
Energy: 1.617035537701609
Energy: 1.4513922132445007
Energy: 1.51537887079248
Energy: 1.5531326959997882
Energy: 1.5992864674308935
Energy: 1.6160349864763222
Energy: 1.558155850327354
Energy: 1.6491841442837805
Energy: 1.5443807279305328
Energy: 1.5342588645155277
Energy: 1.5308637683584105
Energy: 1.519816644054115
Energy: 1.648254631064075
Energy: 1.6502830569522529
Energy: 1.5883317474153065
Energy: 1.6535198047512232
Energy: 1.595164444446379
Energy: 1.5090798742043925
Energy: 1.428771770337114
Energy: 1.6133206151005501
Energy: 1.649318585607076
Energy: 1.5854994549187753
Energy: 1.6121080190841397
Energy: 1.4267941737285381
Energy: 1.5763288286634696
Energy: 1.5532510419680914
Energy: 1.6139271684937109
Energy: 1.6152289365305925
Energy: 1.4321732699354486
Energy: 1.608332922303007
Energy: 1.5245030774857737
Energy: 1.5161881945978695
Energy: 1.5166427050225553
Energy: 1.5082951692226911
Energy: 1.6150218707279884
Energy: 1.540578475678265
Energy: 1.5261042001127199
Energy: 1.434225333831292
Energy: 1.5251622366720907
Energy: 1.4929462728354561
Energy: 1.6104403934281288
Energy: 1.4820712536763336
Energy: 1.4848923094053395
Energy: 1.4631537807282433
Energy: 1.4935964029217437
Energy: 1.5386815605512154
Energy: 1.494141919875852
Energy: 1.5310555083764792
Energy: 1.425986852015177
Energy: 1.4826756248441582
Energy: 1.5379411681895934
Energy: 1.4779933738699191
Energy: 1.531096074368958
Energy: 1.438214690121314
Energy: 1.526594907308896
Energy: 1.6188798169413219
Energy: 1.4872320707795006
Energy: 1.4957088008267228
Energy: 1.4351135111951692
Energy: 1.6098467854105745
Energy: 1.5887145989342926
Energy: 1.5225251489070477
Energy: 1.4328920852416063
Energy: 1.4853701688659355
Energy: 1.609768114850373
Energy: 1.475362523702531
Energy: 1.4982266091023535
Energy: 1.4613203407051611
Energy: 1.4932586313168503
Energy: 1.5219907389240641
Energy: 1.4747067186662777
Energy: 1.4295615209391694
Energy: 1.4868334359327608
Energy: 1.485124190318994
Energy: 1.597993692295715
Energy: 1.4847845002137328
Energy: 1.4868672345657241
Energy: 1.4319552143423393
Energy: 1.4609229076539254
Energy: 1.6005093954841878
Energy: 1.5005324873157753
Energy: 1.485621996604925
Energy: 1.4309000385156032
Energy: 1.5993789737624893
Energy: 1.631379809813151
Energy: 1.4614470494473724
Energy: 1.4893523765793215
Energy: 1.4333336388811446
Energy: 1.5899054914139925
Energy: 1.5585113191918751
Energy: 1.4569248280275948
Energy: 1.4833492440358775
Energy: 1.4321458696335372
Energy: 1.5737151331822217
Energy: 1.462661159860973
Energy: 1.4367782033392729
Energy: 1.486579117537858
Energy: 1.4317784189579
Energy: 1.586111515090669
Energy: 1.5870435894756278
Energy: 1.4874050691897085
Energy: 1.4893856997280641
Energy: 1.431400255727688
Energy: 1.3608220270665463
Energy: 1.5676379693579658
Energy: 1.4451894501069371
Energy: 1.57167660264421
Energy: 1.620724261851044
Energy: 1.683623341848062
Energy: 1.620682587798213
Energy: 1.3901856228541705
Energy: 1.5673813021719676
Energy: 1.5800301682528077
Energy: 1.5981959999209923
Energy: 1.5597157761406208
Energy: 1.4340828814619269
Energy: 1.5680810905823508
Energy: 1.6138140370492473
Energy: 1.5717701772717625
Energy: 1.622691246845
Energy: 1.4420860028300333
Energy: 1.562804146403408
Energy: 1.615914105211906
Energy: 1.5726801066640157
Energy: 1.5761982066457938
Energy: 1.4336963206673043
Energy: 1.554881702318635
Energy: 1.611905413027346
Energy: 1.6140633738376295
Energy: 1.5895078666758573
Energy: 1.615272124406214
Energy: 1.587683375000889
Energy: 1.6173523209096419
Energy: 1.6170292777954272
Energy: 1.5973156994502635
Energy: 1.5712730503950796
Energy: 1.6430819080281334
Energy: 1.657458673932724
Energy: 1.6283124533148678
Energy: 1.4658776000839033
Energy: 1.6377744266663872
Energy: 1.6131129152962975
Energy: 1.544918846085935
Energy: 1.5999513443868947
Energy: 1.499510826123286
Energy: 1.6237253283774866
Energy: 1.6184889180804196
Energy: 1.6142485438995688
Energy: 1.64147492727037
Energy: 1.5566805793312297
Energy: 1.6126812601597151
Energy: 1.6124357331898245
Energy: 1.6295505325182111
Energy: 1.645159278578628
Energy: 1.4605182129418857
Energy: 1.6130019626481322
Energy: 1.4568099543307387
Energy: 1.4273065582011608
Energy: 1.5727341058236521
Energy: 1.6451591421415317
Energy: 1.6520387924685147
Energy: 1.4131024455899903
Energy: 1.52893330097161
Energy: 1.5783585845703794
Energy: 1.5944128517569394
Energy: 1.4869890235013665
Energy: 1.5873490260997374
Energy: 1.4694602780120238
Energy: 1.521927057251312
Energy: 1.6182209254160578
Energy: 1.5428207592562349
Energy: 1.5236220091100616
Energy: 1.5015354522294562
Energy: 1.5215243161463228
Energy: 1.4553659105759225
Energy: 1.5640405530788446
Energy: 1.530273817958703
Energy: 1.5469505262768626
Energy: 1.5462703495007573
Energy: 1.5258546817654657
Energy: 1.4810919033585268
Energy: 1.529048030590336
Energy: 1.4807240843733505
Energy: 1.6236598342263595
Energy: 1.5074073171881257
Energy: 1.4539510066415804
Energy: 1.4876275250897386
Energy: 1.5231320042118472
Energy: 1.5965940056511507
Energy: 1.5012226118022487
Energy: 1.5246177632976772
Energy: 1.5643063634353862
Energy: 1.5583002380056534
Energy: 1.5792713168022627
Energy: 1.4519094967203205
Energy: 1.4292938328806224
Energy: 1.486418711423372
Energy: 1.6394217770203636
Energy: 1.6208388738105153
Energy: 1.4934734731430843
Energy: 1.522371402753138
Energy: 1.489506376157425
Energy: 1.5822134925250655
Energy: 1.4782381737396877
Energy: 1.3889409265661279
Energy: 1.4590594257108198
Energy: 1.4983227436495041
Energy: 1.6221267277992701
Energy: 1.4826950211986982
Energy: 1.4882421244829684
Energy: 1.4512642319027984
Energy: 1.4540102601847429
Energy: 1.6950447654635956
Energy: 1.549709976788892
Energy: 1.4856822617534988
Energy: 1.4513812544105338
Energy: 1.4858269865971108
Energy: 1.5993633004347425
Energy: 1.4620226130334313
Energy: 1.4858027882488405
Energy: 1.3897419852154846
Energy: 1.6152455705675741
Energy: 1.6010613866845913
Energy: 1.4638267897821784
Energy: 1.4872413625607137
Energy: 1.4413547641619
Energy: 1.5765630587723862
Energy: 1.3628368432595057
Energy: 1.389131344430756
Energy: 1.5662645835175955
Energy: 1.4600468827498574
Energy: 1.584847135229507
Energy: 1.5956754896808938
Energy: 1.4526935035937156
Energy: 1.5613527595141958
Energy: 1.578436746798477
Energy: 1.601147010397516
Energy: 1.5990894949580863
Energy: 1.43280271053109
Energy: 1.565632822433158
Energy: 1.5849927804401909
Energy: 1.607774690198996
Energy: 1.6402017767477246
Energy: 1.4315881899821192
Energy: 1.5680506175201978
Energy: 1.5836478754089227
Energy: 1.6204717090781577
Energy: 1.5869722756584466
Energy: 1.592541705051044
Energy: 1.563582513130383
Energy: 1.6037586538436548
Energy: 1.6178560034308895
Energy: 1.5982816422552337
Energy: 1.4372834868811681
Energy: 1.5609485198877882
Energy: 1.5820919748237068
Energy: 1.4298723250049798
Energy: 1.5966671029940696
Energy: 1.5518056059878629
Energy: 1.5530699065051232
Energy: 1.5734592014623752
Energy: 1.6167507518248623
Energy: 1.616837378630699
Energy: 1.6156193224379636
Energy: 1.599269972697315
Energy: 1.461520978729883
Energy: 1.6170495197645878
Energy: 1.5825155905513975
Energy: 1.6311219264448573
Energy: 1.638943841160103
Energy: 1.4736060720921378
Energy: 1.6210712355698016
Energy: 1.4483994220039684
Energy: 1.6328027016152304
Energy: 1.5974227580591405
Energy: 1.585509713014008
Energy: 1.6355386365965017
Energy: 1.5717440604508246
Energy: 1.5617995397880156
Energy: 1.5947410712619692
Energy: 1.4332085532113115
Energy: 1.632009274899089
Energy: 1.5112739616520585
Energy: 1.6429315764370478
Energy: 1.6309458050313204
Energy: 1.433082711437302
Energy: 1.5927087826542745
Energy: 1.5954171186916133
Energy: 1.613696710569908
Energy: 1.4002275476623238
Energy: 1.508050225260089
Energy: 1.591907371390483
Energy: 1.5162286132639426
Energy: 1.61853838218134
Energy: 1.5198959640302725
Energy: 1.5351232162823345
Energy: 1.6219757702391198
Energy: 1.6153887582176327
Energy: 1.4052131037802993
Energy: 1.451162732977854
Energy: 1.5294389525440504
Energy: 1.6214027480084503
Energy: 1.6124448456939224
Energy: 1.520175890523645
Energy: 1.444255932737136
Energy: 1.4014552737242667
Energy: 1.4020201287506036
Energy: 1.592645952825368
Energy: 1.5300512819358925
Energy: 1.4246461213454238
Energy: 1.4809058678832492
Energy: 1.5004247346698574
Energy: 1.6035552525972285
Energy: 1.500520895991765
Energy: 1.4575799582439628
Energy: 1.5223147657814156
Energy: 1.561069314164091
Energy: 1.4079934829834961
Energy: 1.4119764324086226
Energy: 1.5301615752852966
Energy: 1.4021946322611227
Energy: 1.604278378725998
Energy: 1.488913082257858
Energy: 1.5329411374929696
Energy: 1.446056201258685
Energy: 1.4752851775468385
Energy: 1.5943371350549638
Energy: 1.4413289898345791
Energy: 1.3959204924846966
Energy: 1.4553562527720496
Energy: 1.4734608215736305
Energy: 1.4744106537956605
Energy: 1.4527161289963917
Energy: 1.5311253015237032
Energy: 1.461127916328615
Energy: 1.645154876621885
Energy: 1.6408878242983174
Energy: 1.4600437022629222
Energy: 1.4534672891779012
Energy: 1.3919382488047833
Energy: 1.5335581617994831
Energy: 1.577421293431288
Energy: 1.4508512168952015
Energy: 1.3941228219554374
Energy: 1.3919043895713248
Energy: 1.5823966275165602
Energy: 1.3916592840414264
Energy: 1.4529012008407274
Energy: 1.3993396026297449
Energy: 1.3963996120387598
Energy: 1.4872950993500353
Energy: 1.3987091676082708
Energy: 1.458535036847908
Energy: 1.3990450777069534
Energy: 1.4268443932536992

minimum gb energy = 1.3577193125125262 eV
minimum distance =  2.30529505775404 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.199451256586027
Energy: 1.0867779364584338
Energy: 1.2323051641810152
Energy: 1.2744674806983372
Energy: 0.6663255498472884
Energy: 0.7058046553357884
Energy: 1.1583898070763625
Energy: 1.2811839284973983
Energy: 1.2843774990870478
Energy: 1.0021181596424553
Energy: 0.9994769944482153
Energy: 1.1555292219550282
Energy: 1.2753718143104016
Energy: 1.208911606865603
Energy: 1.1716431853696403
Energy: 1.2014514443275544
Energy: 1.2682848664593456
Energy: 1.1634366424769176
Energy: 1.2098909536002902
Energy: 1.3033637735474974
Energy: 1.2128584055973213
Energy: 1.216875813698163
Energy: 1.2294090701994402
Energy: 1.2702211173653866
Energy: 0.7601520259975703
Energy: 0.9618489886426731
Energy: 1.2244354991948199
Energy: 1.227628662254757
Energy: 1.1724809311413742
Energy: 0.660834407319407
Energy: 0.6653595992014144
Energy: 1.2100778400403518
Energy: 1.1629933322498955
Energy: 0.9607750979669983
Energy: 0.7586105450463738
Energy: 0.7619239599813461
Energy: 1.2280692574913346
Energy: 1.1774670002308611
Energy: 1.2308739110816151
Energy: 0.6613343857974936
Energy: 1.2128095465228848
Energy: 1.0848769689831363
Energy: 1.0319765963735887
Energy: 1.0186811552718633
Energy: 1.2338070912012202
Energy: 1.2740576277433517
Energy: 0.9600493269639687
Energy: 1.199710405753104
Energy: 1.2117104605838007
Energy: 1.1909452587522416
Energy: 1.3309992847979937
Energy: 0.9942509457325519
Energy: 1.005585137580325
Energy: 0.7589568577508683
Energy: 0.764414520747699
Energy: 1.0224331111697318
Energy: 1.1278524027770191
Energy: 1.2113631238925922
Energy: 0.6605171839401731
Energy: 0.6634868590676589
Energy: 1.12473890075635
Energy: 1.1629671740801966
Energy: 0.9907426225036956
Energy: 0.7579355851514892
Energy: 0.7729549357456301
Energy: 0.9641872377079057
Energy: 1.1409735441177316
Energy: 1.150594221156747
Energy: 0.6588498113517437
Energy: 1.1505466016708765
Energy: 1.3973669372509758
Energy: 1.1660815599395609
Energy: 1.0808589152259052
Energy: 1.0976934951715573
Energy: 1.001836887424185
Energy: 1.1404412026952415
Energy: 1.3136058524230585
Energy: 1.1785956831947602
Energy: 0.9618805081913485
Energy: 1.176928814588918
Energy: 1.1343296459518752
Energy: 1.0125690387129658
Energy: 0.7640937546054248
Energy: 0.75985830013296
Energy: 1.2406689114390852
Energy: 1.081487747645251
Energy: 1.1999252329080115
Energy: 0.7049388250161464
Energy: 0.6628792918752487
Energy: 1.3574293136123001
Energy: 1.15837020642573
Energy: 1.0990047673734735
Energy: 0.7587275867162674
Energy: 0.9657229203857165
Energy: 1.1636000990331359
Energy: 1.2391629530447061
Energy: 1.3376923760423542
Energy: 0.6625845123624491
Energy: 1.2426131893468837
Energy: 1.0727557510554087
Energy: 1.2396954764284538
Energy: 1.2503855473507095
Energy: 0.6625954207645636
Energy: 1.24837218629665
Energy: 1.1700128916675059
Energy: 1.2943030016455637
Energy: 0.7684908408469108
Energy: 0.7603036835524966
Energy: 0.9600241624447051
Energy: 0.9922267033201656
Energy: 1.1358684704016584
Energy: 0.6625661498392924
Energy: 0.6648452982946024
Energy: 1.1240216862556691
Energy: 0.9683855536116804
Energy: 1.1849447148054306
Energy: 0.7597871301119083
Energy: 0.7635762746493683
Energy: 1.2420776796797255
Energy: 0.961960561520402
Energy: 1.2161938698469277
Energy: 1.1970556062359452
Energy: 1.2230155995288903
Energy: 1.1849684757499357
Energy: 1.1967625091874112
Energy: 1.2936283067071883
Energy: 0.9899708602392396
Energy: 1.1277635575852698
Energy: 1.2319571612623983
Energy: 1.1892214227693676
Energy: 0.6665407985801606
Energy: 0.6593288241969173
Energy: 1.2767636062658978
Energy: 1.1142790712247412
Energy: 1.070452263947708
Energy: 0.7687582512594704
Energy: 0.758706860790824
Energy: 1.128651703663946
Energy: 1.2093216842178633
Energy: 0.9584428115062062
Energy: 0.6627978243953423
Energy: 0.6605178911871017
Energy: 1.1753313205290385
Energy: 1.196693409621259
Energy: 1.1701309124276662
Energy: 0.7626048352190599
Energy: 0.7589600906507605
Energy: 1.241560360955074
Energy: 1.2210267346101287
Energy: 1.2278516281079397
Energy: 1.1933756630107988
Energy: 1.0425713794834452
Energy: 1.264246544104041
Energy: 1.2184779409525888
Energy: 1.2107469153348072
Energy: 1.2128904592890253
Energy: 1.1997977792173762
Energy: 1.1775414186911572
Energy: 1.2067545253073213
Energy: 1.387203835546543
Energy: 0.8605088638487945
Energy: 1.175441213270449
Energy: 1.2477731567286885
Energy: 1.195372412428044
Energy: 0.6633593292268227
Energy: 0.661593774259275
Energy: 1.2112708943910535
Energy: 1.195855495927286
Energy: 1.2094104762906355
Energy: 0.9119834042571449
Energy: 0.8597064278904138
Energy: 1.2508841258929113
Energy: 1.223177673614174
Energy: 1.209661689560622
Energy: 1.1999348069879292
Energy: 0.6618974700974414
Energy: 1.2066729398215787
Energy: 1.0055852043940212
Energy: 1.2040550655785418
Energy: 1.3674042344110913
Energy: 1.1673841301586096
Energy: 1.2362791416384846
Energy: 1.2104460654722977
Energy: 1.200873938973346
Energy: 0.7588753928688303
Energy: 1.2208619665632836
Energy: 1.222652121994813
Energy: 1.251288780711618
Energy: 1.2904233268891854
Energy: 0.6616524471414242
Energy: 0.6639487577995644
Energy: 1.162922707043684
Energy: 1.1880340168988124
Energy: 1.3271064390204323
Energy: 0.7625483632115047
Energy: 0.7614990976799555
Energy: 1.1261586638329006
Energy: 1.1801610074074755
Energy: 0.6618886664584739
Energy: 0.7044825583522664
Energy: 1.1984161243263458
Energy: 1.2312015641467018
Energy: 1.2290306357520393
Energy: 1.049520399732879
Energy: 1.1452498815029462
Energy: 1.1874163463571334
Energy: 1.162376007477971
Energy: 1.127081121056848
Energy: 1.30184529446477
Energy: 1.1868855877283708
Energy: 1.1383479688414615
Energy: 1.017465872756068
Energy: 1.022166318362213
Energy: 0.7588020327295084
Energy: 0.7606056896547306
Energy: 1.278877895886857
Energy: 0.9636036970095042
Energy: 1.3126576405349626
Energy: 0.6640707936882687
Energy: 1.2197469867355244
Energy: 1.1980267107156017
Energy: 1.1701840981659117
Energy: 1.3467462599056421
Energy: 0.7578901829680988
Energy: 0.7593860003923133
Energy: 1.1950605725914218
Energy: 1.146832822918816
Energy: 1.12188163280173
Energy: 0.6602591438092024
Energy: 0.6657754961530038
Energy: 1.1599862986733238
Energy: 1.1446482785867562
Energy: 1.2491817210407687
Energy: 1.2686340108597223
Energy: 1.1472925363020794
Energy: 1.2871080472386116
Energy: 1.1713651304683306
Energy: 1.105011822664126
Energy: 0.9591024432042309
Energy: 1.2415191850568188
Energy: 1.2917860746263328
Energy: 1.0925149333093214
Energy: 0.6617128555265828
Energy: 0.6616229339813644
Energy: 1.2013749037383126
Energy: 1.1788944916097615
Energy: 1.1488483069029718
Energy: 0.7595300666908382
Energy: 0.7596409001358844
Energy: 1.173158175257442
Energy: 1.0015738450695455
Energy: 1.2443814382676597
Energy: 0.6616323548901949
Energy: 0.6639924690231416
Energy: 1.3235066427508637
Energy: 1.3027931161017372
Energy: 1.2039259194599654
Energy: 0.7580418817771641
Energy: 0.7710718155654653
Energy: 1.0099410621219145
Energy: 0.9582667610117724
Energy: 1.2399353882710968
Energy: 1.1722151565786838
Energy: 1.19598835970755
Energy: 1.318571126300589
Energy: 1.1853889534345567
Energy: 0.9642019528727952
Energy: 1.0611688228921363
Energy: 0.991728831096889
Energy: 1.0853543527330114
Energy: 1.3296123460057243
Energy: 0.6650777975223593
Energy: 0.6629748896779867
Energy: 1.0521319326257397
Energy: 1.2393385799309082
Energy: 1.3727066858513879
Energy: 0.7600111931446926
Energy: 0.7603423848483797
Energy: 0.9593490733933634
Energy: 1.2670305096988828
Energy: 1.1819126239996465
Energy: 1.2004259796360894
Energy: 0.6620402472660951
Energy: 1.2353205745704336
Energy: 1.1289656336103076
Energy: 1.2346691018548341
Energy: 1.1440939045957483
Energy: 0.9669048059738933
Energy: 1.0312731857685062
Energy: 1.2272007830965805
Energy: 1.172886401656248
Energy: 0.6625979320412478
Energy: 1.2332600347441283
Energy: 1.1810653530910697
Energy: 1.2353375049850144
Energy: 1.2723755981568359
Energy: 0.7582615288280562
Energy: 0.9644529893009125
Energy: 1.1898518594118712
Energy: 1.1714730844200936
Energy: 0.6634490052859193
Energy: 0.6650344148701859
Energy: 1.2054319752875848
Energy: 1.1688756360101302
Energy: 1.3381731048459409
Energy: 0.7620817045497822
Energy: 0.7617086083752496
Energy: 1.01680999355414
Energy: 1.2035517157738709
Energy: 1.289432894303557
Energy: 1.3201993538360521
Energy: 1.1822929620482459
Energy: 1.168230251345949
Energy: 1.1630712048398621
Energy: 0.9648967888773271
Energy: 1.2248029596664507
Energy: 1.2917544782567065
Energy: 1.2334349240032054
Energy: 1.2775010723891524
Energy: 1.2093792237580714
Energy: 1.053791781879471
Energy: 1.1790931062357215
Energy: 1.2553661325529186
Energy: 1.1544327301580994
Energy: 0.9638094559528159
Energy: 0.6613496328792062
Energy: 1.1838419777323304
Energy: 1.2769100205955377
Energy: 1.2033793759239524
Energy: 0.9868087690019663

minimum gb energy = 0.6588498113517437 eV
minimum distance =  2.3736152241634 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3967386758993459
Energy: 1.383457171968815
Energy: 1.3783732875091788
Energy: 1.3788566183800786
Energy: 1.3620762698229203
Energy: 1.3614760656230196
Energy: 1.3830196131552657
Energy: 1.3942084178688594
Energy: 1.3811703507116895
Energy: 1.3626056099709394
Energy: 1.3712484037724542
Energy: 1.3760932136160793
Energy: 1.3760847600203931
Energy: 1.3927435700955
Energy: 1.3666569205998245
Energy: 1.3931875898223927
Energy: 1.3765221034683002
Energy: 1.3790499339244562
Energy: 1.3928889128056814
Energy: 1.3672229967072433
Energy: 1.3698054093581162
Energy: 1.3903526670584634
Energy: 1.393586265020116
Energy: 1.3765882616230207
Energy: 1.3700166731328525
Energy: 1.369851725957932
Energy: 1.3887490994428475
Energy: 1.3909067121038312
Energy: 1.3761665898224964
Energy: 1.3579376454785612
Energy: 1.3689000997041525
Energy: 1.369033475086067
Energy: 1.3763380101024476
Energy: 1.3818318944998513
Energy: 1.372909920720864
Energy: 1.3576280436487376
Energy: 1.3673851965486787
Energy: 1.375360799026027
Energy: 1.3820472358100044
Energy: 1.3862957900365385
Energy: 1.3830916863639109
Energy: 1.3814085114684551
Energy: 1.364870105347523
Energy: 1.366090895711438
Energy: 1.3653089273333272
Energy: 1.3820788463198719
Energy: 1.3768518506529281
Energy: 1.3657780645985231
Energy: 1.3624666583512113
Energy: 1.374921245414546
Energy: 1.3720288266330338
Energy: 1.3809678946856465
Energy: 1.3602298890824802
Energy: 1.3568213624600283
Energy: 1.3582857175622345
Energy: 1.370940401659935
Energy: 1.3810092286806384
Energy: 1.3682060506412035
Energy: 1.3566019115796049
Energy: 1.357924132714333
Energy: 1.3761759935701645
Energy: 1.3783275528815326
Energy: 1.37112293433045
Energy: 1.3630113227286853
Energy: 1.3847661170922905
Energy: 1.3693353362741782
Energy: 1.3774521152399992
Energy: 1.3707397712945335
Energy: 1.3698782268711012
Energy: 1.389434635661794
Energy: 1.3712976848738125
Energy: 1.3711703039246996
Energy: 1.3591336309450348
Energy: 1.3699840591937191
Energy: 1.375605501167905
Energy: 1.3710000588022475
Energy: 1.3729650680047698
Energy: 1.3595513796586118
Energy: 1.3701429030024876
Energy: 1.3750506634901132
Energy: 1.382948640263689
Energy: 1.3599448461635804
Energy: 1.3667385408091584
Energy: 1.3631157111396661
Energy: 1.360626899532562
Energy: 1.3731209090310796
Energy: 1.3601017370763917
Energy: 1.3670054093133928
Energy: 1.3538028075630342
Energy: 1.3607288498312973
Energy: 1.374374860697316
Energy: 1.3612669530829262
Energy: 1.3724813992228764
Energy: 1.3748140126463388
Energy: 1.361303135449581
Energy: 1.3690555550820307
Energy: 1.3687746912754488
Energy: 1.3637529577329894
Energy: 1.376393288804288
Energy: 1.361378645259532
Energy: 1.36988697530626
Energy: 1.3610905789206997
Energy: 1.3650266187871711
Energy: 1.3560217845850184
Energy: 1.3597836572480653
Energy: 1.3642955935579766
Energy: 1.359933415644761
Energy: 1.3654763052707206
Energy: 1.3573524599087061
Energy: 1.3588481495615246
Energy: 1.3547454695788312
Energy: 1.3613896924753193
Energy: 1.3543363339331638
Energy: 1.3617399006842013
Energy: 1.3541039783068543
Energy: 1.3539268505780315
Energy: 1.363266984317509
Energy: 1.376794559357084
Energy: 1.3622354029350856
Energy: 1.36383803369727
Energy: 1.361029982352125
Energy: 1.371891371130416
Energy: 1.3582911087533593
Energy: 1.353395998778681
Energy: 1.4019724328246428
Energy: 1.3604586050936087
Energy: 1.3698602390633345
Energy: 1.356935119798677
Energy: 1.3547385714481304
Energy: 1.3759397724317006
Energy: 1.3582566352267404
Energy: 1.3704725226699686
Energy: 1.3581848298058226
Energy: 1.3721310369930004
Energy: 1.366354036110072
Energy: 1.355788387454784
Energy: 1.3615223306171889
Energy: 1.358160389154982
Energy: 1.3620127576485679
Energy: 1.3708967308590803
Energy: 1.3598482934930527
Energy: 1.3594820194888182
Energy: 1.355821279544984
Energy: 1.350745908867448
Energy: 1.3526964514120012
Energy: 1.3607675024873573
Energy: 1.3531128801317287
Energy: 1.3557604058274542
Energy: 1.3508878720289037
Energy: 1.352204991819723
Energy: 1.3758178019058014
Energy: 1.3740541439941676
Energy: 1.3597991435420775
Energy: 1.3641195721263724
Energy: 1.3740839427705467
Energy: 1.3810571708534365
Energy: 1.375507374309936
Energy: 1.3591488802520566
Energy: 1.3649272771538963
Energy: 1.3770068419109647
Energy: 1.372724498639973
Energy: 1.3714985956864718
Energy: 1.3715618199823474
Energy: 1.3532729865298956
Energy: 1.375895600811563
Energy: 1.3761140398773923
Energy: 1.3700618570442369
Energy: 1.370038295480706
Energy: 1.3715635237857713
Energy: 1.3764417265571771
Energy: 1.3824086138989955
Energy: 1.3692381582053679
Energy: 1.3551698691579042
Energy: 1.3541730975600317
Energy: 1.3705717808205353
Energy: 1.3718313570368745
Energy: 1.3684354717627871
Energy: 1.356317520489363
Energy: 1.352918071315537
Energy: 1.372551202112505
Energy: 1.382496618902925
Energy: 1.3709043099673814
Energy: 1.3717494343975116
Energy: 1.384060931812018
Energy: 1.3783627466538189
Energy: 1.3843602054075927
Energy: 1.371106630686572
Energy: 1.3696724009748755
Energy: 1.3828944736989508
Energy: 1.3828517696585834
Energy: 1.3841901402892516
Energy: 1.3637159055502757
Energy: 1.3741514212201429
Energy: 1.3825796881437782
Energy: 1.381219063910863
Energy: 1.3763515882266926
Energy: 1.3748238004470534
Energy: 1.3744707891930452
Energy: 1.3828078243493878
Energy: 1.3689132174210121
Energy: 1.378818816117618
Energy: 1.3531803423740532
Energy: 1.3618975500614068
Energy: 1.3829929366157652
Energy: 1.3770441428991262
Energy: 1.3808908227292278
Energy: 1.3535011303895805
Energy: 1.3631452508829809
Energy: 1.383914444413757
Energy: 1.392274753167587
Energy: 1.388166262001527
Energy: 1.3599136584783618
Energy: 1.3695688637578913
Energy: 1.3784443195196545
Energy: 1.3796744440636277
Energy: 1.3834593977129117
Energy: 1.359244172234666
Energy: 1.3700642300545278
Energy: 1.3759328773439912
Energy: 1.3904353373441438
Energy: 1.3749005902500815
Energy: 1.3633736443121918
Energy: 1.3814686248037598
Energy: 1.3915597281593726
Energy: 1.3781006819143427
Energy: 1.3723838630359178
Energy: 1.3663623294511889
Energy: 1.3812825312448158
Energy: 1.3916613038413985
Energy: 1.3683837304197475
Energy: 1.3694372699898463
Energy: 1.3691380455118103
Energy: 1.3811212343618355
Energy: 1.3674579066544923
Energy: 1.3772995120951355
Energy: 1.3611953294726764
Energy: 1.3688029904317023
Energy: 1.379461830686075
Energy: 1.3675513784175208
Energy: 1.3776013950150647
Energy: 1.3693898186511053
Energy: 1.370625381790686
Energy: 1.3842925181671382
Energy: 1.3764509203445325
Energy: 1.3772043372066791
Energy: 1.3628728907606096
Energy: 1.3704099926090416
Energy: 1.3833453968531035
Energy: 1.396197083825669
Energy: 1.3770978673322336
Energy: 1.3723721248800231
Energy: 1.3710322673795408
Energy: 1.3707395004039429
Energy: 1.3702953448162722
Energy: 1.3646764159904186
Energy: 1.3999587162311176
Energy: 1.3708059654548423
Energy: 1.3720341110838554
Energy: 1.374645203758761
Energy: 1.3662671166586315
Energy: 1.3607881246357216
Energy: 1.3754408957771012
Energy: 1.3746450459997797
Energy: 1.382427968111978
Energy: 1.3810140462960176
Energy: 1.3582386890940117
Energy: 1.3729119596274169
Energy: 1.3759660073474105
Energy: 1.3726529719993115
Energy: 1.3811816915096817
Energy: 1.3709092299069565
Energy: 1.3738667985562454
Energy: 1.3750072345599218
Energy: 1.3713871599006777
Energy: 1.3547373229900102
Energy: 1.3698949288953313
Energy: 1.3743200749770204
Energy: 1.374629046579042
Energy: 1.3726933963900347
Energy: 1.3596745474679535
Energy: 1.36008035589042
Energy: 1.3555884791448531
Energy: 1.361869624556657
Energy: 1.359608646500732
Energy: 1.3814455359011821
Energy: 1.3656273280664937
Energy: 1.3553405798883276
Energy: 1.3605096320567354
Energy: 1.3620939518364874
Energy: 1.3811930202978575
Energy: 1.3592021609460634
Energy: 1.3614371335691038
Energy: 1.3526992309408212
Energy: 1.3593892403056675
Energy: 1.3610497305464446
Energy: 1.3589672576106273
Energy: 1.36207768954075
Energy: 1.3528845382361148
Energy: 1.3548808494515006
Energy: 1.3671571963516558
Energy: 1.3571632544019168
Energy: 1.3603325828490254
Energy: 1.3632163128966404
Energy: 1.3523411491234572
Energy: 1.3545393453800527
Energy: 1.3566238640813562
Energy: 1.358631441675876
Energy: 1.3620968331134766
Energy: 1.3532688772861206
Energy: 1.354024058558874
Energy: 1.3601363079501254
Energy: 1.3631932175996349
Energy: 1.3530724912402066
Energy: 1.3600240097589362
Energy: 1.361108239189219
Energy: 1.3541577445366277
Energy: 1.3646351410566802
Energy: 1.353314340844613
Energy: 1.360172034980502
Energy: 1.36056104103175
Energy: 1.3539255216155948
Energy: 1.3545739051067724
Energy: 1.3613237110363599
Energy: 1.3899843740586262
Energy: 1.3619907846940569
Energy: 1.3544049763041646
Energy: 1.3521660299497174
Energy: 1.3621969420878393
Energy: 1.3591836819325855
Energy: 1.3586799583202025
Energy: 1.3734689425248667
Energy: 1.372607222107097
Energy: 1.3585874575100163
Energy: 1.3620303467317765
Energy: 1.3588707379345635
Energy: 1.3717281264645602
Energy: 1.3752465850827047
Energy: 1.3574937375439151
Energy: 1.3601862955060922
Energy: 1.358953196834239
Energy: 1.3698725649574708
Energy: 1.3620302747206305
Energy: 1.3705631346411389
Energy: 1.3644068779619696
Energy: 1.3587969126636783
Energy: 1.3707232273422107
Energy: 1.3599255148601233
Energy: 1.3650480601050639
Energy: 1.3650169562306553
Energy: 1.3614861179409772
Energy: 1.3594203088543382
Energy: 1.3730262886020037
Energy: 1.3769574710836794
Energy: 1.3749979963420862
Energy: 1.3696619615397374
Energy: 1.360382769452676
Energy: 1.3728692851966031
Energy: 1.3729629615927537
Energy: 1.3755031839858183
Energy: 1.3706808654196267
Energy: 1.3823777961235526
Energy: 1.3704676415513575
Energy: 1.3771167130795237
Energy: 1.3751961898136256
Energy: 1.3518423000822875
Energy: 1.3788994068548517
Energy: 1.3712312283175057
Energy: 1.3721815593580873
Energy: 1.3773864189060543
Energy: 1.3545585616730162
Energy: 1.3516647123049677
Energy: 1.359049848377813
Energy: 1.3706578159240537
Energy: 1.3702178855870752
Energy: 1.3867257694986845
Energy: 1.3642130811742643
Energy: 1.361578563263739
Energy: 1.3695963069787513
Energy: 1.3702496907010406
Energy: 1.3747944689345508
Energy: 1.369904361158239
Energy: 1.3947092795639044
Energy: 1.3825665736433423
Energy: 1.37148336961
Energy: 1.3608140074906758
Energy: 1.3701530238573836
Energy: 1.3753680000528696
Energy: 1.3823776990534162
Energy: 1.3728722817818666
Energy: 1.3633868870990766
Energy: 1.3765868707787319
Energy: 1.3671015196105172
Energy: 1.3657341318332574
Energy: 1.360584109437275
Energy: 1.3598603570232128
Energy: 1.3782861322497841
Energy: 1.3650966782307816
Energy: 1.3770568245611583
Energy: 1.3607280159686514
Energy: 1.3727246059958045
Energy: 1.3951479823314676
Energy: 1.3948701050268484
Energy: 1.3822430219802355
Energy: 1.3616008834961897
Energy: 1.3767018331639773
Energy: 1.391889740774892
Energy: 1.378969590227037
Energy: 1.3821209060067225
Energy: 1.3607415685054802
Energy: 1.37427387206277
Energy: 1.3812398841074889
Energy: 1.3774687210100989
Energy: 1.3937597406952598
Energy: 1.3702125875116102
Energy: 1.3813127747934397
Energy: 1.3891226059359045
Energy: 1.3806965626676069
Energy: 1.3933267106028397
Energy: 1.3684153184875
Energy: 1.3849004010761465
Energy: 1.3745907468537422
Energy: 1.3823775505025997
Energy: 1.3546804340752348
Energy: 1.3586383636459474
Energy: 1.381246198191356
Energy: 1.3746995522953287
Energy: 1.3841564444466596
Energy: 1.35920636054205
Energy: 1.3594554255011913
Energy: 1.3846696020331213
Energy: 1.3908828267518993
Energy: 1.3926330049805622
Energy: 1.374802138861053
Energy: 1.3846721663679387
Energy: 1.3852827170082043
Energy: 1.3915157531149769
Energy: 1.3745541088038828
Energy: 1.3537503394813601
Energy: 1.3835272511220944
Energy: 1.37696120798802
Energy: 1.3770816393342211
Energy: 1.3844143341298631
Energy: 1.403406153353581
Energy: 1.3713865443088105
Energy: 1.389007905280932
Energy: 1.3783490207621236
Energy: 1.3857627523280973
Energy: 1.3809455370157637
Energy: 1.3705698741851993
Energy: 1.390548774289904
Energy: 1.372205612415002
Energy: 1.3550866906410712
Energy: 1.3638942174395245
Energy: 1.3693228846695755
Energy: 1.3824256288862244
Energy: 1.3711364735875833
Energy: 1.3548489651356137
Energy: 1.3651707357500418
Energy: 1.370532414231449
Energy: 1.3838124650950947
Energy: 1.360438540971592
Energy: 1.3533454437487473
Energy: 1.3702882943674957
Energy: 1.37110134453821
Energy: 1.3782560007299245
Energy: 1.360881176982565
Energy: 1.4105074233898898
Energy: 1.3700046455775567
Energy: 1.37242493043724
Energy: 1.367481462904556
Energy: 1.3752323266979558
Energy: 1.3584295179987256
Energy: 1.3589676486370643
Energy: 1.3739084665913637
Energy: 1.38073602079743
Energy: 1.374083582349438
Energy: 1.3625636003287835
Energy: 1.3598099727598305
Energy: 1.3753488906231974
Energy: 1.3740881738547552
Energy: 1.3596929329097973
Energy: 1.3525468794854303
Energy: 1.3608125310938364
Energy: 1.351997944595972
Energy: 1.359489469149098
Energy: 1.354019215233986
Energy: 1.3525464785149393
Energy: 1.3562783880455258
Energy: 1.3683541701173445
Energy: 1.3594989627042318
Energy: 1.3740209832173356
Energy: 1.3589010214038741
Energy: 1.3586453768753883
Energy: 1.3616548469668428
Energy: 1.3565407584237281
Energy: 1.3663010820831134
Energy: 1.3612430561861157
Energy: 1.3581289334305264
Energy: 1.3695116161192071
Energy: 1.3552415861759994
Energy: 1.3892826605018593
Energy: 1.3539538780159732
Energy: 1.3558312901791874
Energy: 1.3641047459308069
Energy: 1.3713138131933746
Energy: 1.3600529154750136
Energy: 1.353105450153701
Energy: 1.3567682511594572
Energy: 1.3611075085932867
Energy: 1.3619097329923284
Energy: 1.3825393594419153
Energy: 1.3639212851579068
Energy: 1.3677524375689278
Energy: 1.3650519687741727
Energy: 1.3544627745143931
Energy: 1.360100284464337
Energy: 1.3635258783536113
Energy: 1.3687438646676053
Energy: 1.3610409997322264
Energy: 1.3547895470732851
Energy: 1.3586122741537108
Energy: 1.3596307839502004
Energy: 1.3722710611533517
Energy: 1.362488692659118
Energy: 1.364032127887387
Energy: 1.359004999061718
Energy: 1.3572397508128937
Energy: 1.361619558442001
Energy: 1.362027575104492
Energy: 1.382520298998201
Energy: 1.359848839682119
Energy: 1.3727638873312948
Energy: 1.3632047518409258
Energy: 1.3607580051615646
Energy: 1.3777723296915578
Energy: 1.3594488223934718
Energy: 1.3719202939971173
Energy: 1.3643938801717932
Energy: 1.3597288792971365
Energy: 1.4490914001072424
Energy: 1.359646121331448
Energy: 1.3584081886093888
Energy: 1.3519437273698052
Energy: 1.3665322655237933
Energy: 1.382985633383697
Energy: 1.3590932629611958
Energy: 1.3539618914413798
Energy: 1.3524504786978675
Energy: 1.364977770636324
Energy: 1.38327831028502
Energy: 1.3717531236614393
Energy: 1.3706827505287842
Energy: 1.36053339633667
Energy: 1.3702367173240046
Energy: 1.3735883864815757
Energy: 1.373455123887651
Energy: 1.35998684018772
Energy: 1.3602326840864845
Energy: 1.3719978961321924
Energy: 1.3717915610164269
Energy: 1.3746794450445468
Energy: 1.352881723968154
Energy: 1.3701536898203481
Energy: 1.372711088043848
Energy: 1.362250466691628
Energy: 1.374057890326099
Energy: 1.367249562076548
Energy: 1.3702660879196746
Energy: 1.374543739685689
Energy: 1.3606352411301768
Energy: 1.361079848314407
Energy: 1.3519602031657454
Energy: 1.3754208409075426
Energy: 1.3819868916645044
Energy: 1.3706632650567412
Energy: 1.3611271920170929
Energy: 1.360680970796475
Energy: 1.3768816571473337
Energy: 1.3817616107015498
Energy: 1.3714194890573044
Energy: 1.3752972099776266
Energy: 1.3607061744001454
Energy: 1.3662302033542186
Energy: 1.3759047134678535
Energy: 1.3821965703845769
Energy: 1.372508932421141
Energy: 1.3638617251791691
Energy: 1.3656471821075897
Energy: 1.379057760541559
Energy: 1.3822744584639781
Energy: 1.3539142923149734
Energy: 1.382879362737013
Energy: 1.3747450798651095
Energy: 1.3758796959376487
Energy: 1.3665032785954523
Energy: 1.3611028074269518
Energy: 1.3831001770662992
Energy: 1.3751818125674524
Energy: 1.377418228975062
Energy: 1.3668766325274249

minimum gb energy = 1.350745908867448 eV
minimum distance =  2.34153809442939 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.8535273498682625
Energy: 1.8831398148786342
Energy: 1.8976832411395095
Energy: 1.8811298263578822
Energy: 1.8559397430668172
Energy: 1.8515377014582977
Energy: 1.8840084549445986
Energy: 1.8995725130010759
Energy: 1.882054148529432
Energy: 1.8985320504449053
Energy: 1.8858997982357957
Energy: 1.8709087068418446
Energy: 1.870356540262025
Energy: 1.8662791709447597
Energy: 1.9155058040897475
Energy: 1.88947957446716
Energy: 1.8714412733734955
Energy: 1.868876593472716
Energy: 1.86812568517345
Energy: 1.9152263393929658
Energy: 1.9164268050922701
Energy: 1.8697314029692396
Energy: 1.8633259800129216
Energy: 1.901118229722604
Energy: 1.894107434485381
Energy: 1.8898097122872668
Energy: 1.8711805265696624
Energy: 1.8633813020342396
Energy: 1.8996782419044793
Energy: 1.8943219875794866
Energy: 1.905683398331529
Energy: 1.9175594425244769
Energy: 1.871222827685377
Energy: 1.886618101594358
Energy: 1.8920845855455495
Energy: 1.888556733347441
Energy: 1.9181585057076194
Energy: 1.872597130766114
Energy: 1.8854817070548973
Energy: 1.8896126046772752
Energy: 1.88588713790922
Energy: 1.8815774386720918
Energy: 1.8601137601751412
Energy: 1.8863129047133458
Energy: 1.8873411794289088
Energy: 1.8856401384075399
Energy: 1.8589097411824407
Energy: 1.8598022241537457
Energy: 1.885871799700265
Energy: 1.8876625766529533
Energy: 1.9043054107202741
Energy: 1.8913297551303394
Energy: 1.8727286198539628
Energy: 1.9074311162912312
Energy: 1.9106482784097303
Energy: 1.9015253928566775
Energy: 1.8900872594969291
Energy: 1.870271902774541
Energy: 1.9105403353139223
Energy: 1.9168018033589755
Energy: 1.854328679203616
Energy: 1.8644911586162878
Energy: 1.9161708046798793
Energy: 1.9447739495001846
Energy: 1.8760692549760851
Energy: 1.8603009518958324
Energy: 1.8674321812928405
Energy: 1.916463212097057
Energy: 1.8954114192792333
Energy: 1.8790932417003618
Energy: 1.916430995545532
Energy: 1.8600403867310265
Energy: 1.8727482664873822
Energy: 1.883978385646312
Energy: 1.8910960276868019
Energy: 1.9082767872612727
Energy: 1.8570445680368264
Energy: 1.870433455041745
Energy: 1.887968240027473
Energy: 1.8927661717402042
Energy: 1.90236290429088
Energy: 1.8889745613808802
Energy: 1.8718887831223272
Energy: 1.871212190628764
Energy: 1.8877983396210642
Energy: 1.8967847198611316
Energy: 1.9007346075073894
Energy: 1.8723189157086464
Energy: 1.8757313541370806
Energy: 1.8868969717523545

minimum gb energy = 1.8515377014582977 eV
minimum distance =  2.30818256840643 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.10102353608174
Energy: 2.133398069185051
Energy: 2.1989451940004083
Energy: 2.1228628569024663
Energy: 2.149209819351087
Energy: 2.0939651637963452
Energy: 2.131348934698169
Energy: 2.1524012060807665
Energy: 2.120377025563995
Energy: 2.1493340295250634
Energy: 2.2016144268838187
Energy: 2.1238325716673345
Energy: 2.1187226948557476
Energy: 2.118261813315691
Energy: 2.1242534691467614
Energy: 2.146230396722868
Energy: 2.1232846045044727
Energy: 2.120648943588702
Energy: 2.1185299564542177
Energy: 2.127419013378879
Energy: 2.124286551962433
Energy: 2.1205779922147587
Energy: 2.121534179052626
Energy: 2.122440382240578
Energy: 2.171738386394725
Energy: 2.1413209617174958
Energy: 2.1211112059738375
Energy: 2.1214855518837346
Energy: 2.123696606142349
Energy: 2.1719455827782137
Energy: 2.1331929047126983
Energy: 2.1829152674115977
Energy: 2.135957152618217
Energy: 2.143046927467952
Energy: 2.092197613079121
Energy: 2.1198098445720195
Energy: 2.1852672933862367
Energy: 2.1353672709117095
Energy: 2.140807606090033
Energy: 2.17344664945197
Energy: 2.1706565674854885
Energy: 2.090709885805839
Energy: 2.0869194908978854
Energy: 2.1220141793838843
Energy: 2.1165254686954915
Energy: 2.171684778611924
Energy: 2.0894338980365825
Energy: 2.1043556215345016
Energy: 2.1198259484046535
Energy: 2.115971742712577
Energy: 2.1195986084606395
Energy: 2.2544033563610753
Energy: 2.119738944054216
Energy: 2.131556984858707
Energy: 2.1276136817034046
Energy: 2.1198740438844794
Energy: 2.124436982724441
Energy: 2.186736775188959
Energy: 2.139533298945304
Energy: 2.118153404322362
Energy: 2.2643096619501475
Energy: 2.110552419996452
Energy: 2.1249478448820645
Energy: 2.117653422102009
Energy: 2.1253533101344257
Energy: 2.1164108095737406
Energy: 2.1186454664195122
Energy: 2.1222014248088006
Energy: 2.1189946036155964
Energy: 2.1258872388242906
Energy: 2.12068731362731
Energy: 2.1175398784712938
Energy: 2.118225082451353
Energy: 2.1833243086160032
Energy: 2.123389349078464
Energy: 2.120779879948158
Energy: 2.117799335535201
Energy: 2.1232818357957255
Energy: 2.1795846988142347
Energy: 2.123049423850435
Energy: 2.171599705831268
Energy: 2.1015672275513606
Energy: 2.190349850379267
Energy: 2.1184179031330914
Energy: 2.2158765519723778
Energy: 2.1206792960097864
Energy: 2.1833059173885667
Energy: 2.120673065420507
Energy: 2.2091019116798982
Energy: 2.2328772301582274
Energy: 2.129603868854415
Energy: 2.13707695787154
Energy: 2.164524291529988
Energy: 2.119606620131776
Energy: 2.135679231031362
Energy: 2.1295211312902387
Energy: 2.1347366747391296
Energy: 2.1451228917047325
Energy: 2.1270778949506917
Energy: 2.1381966989098746
Energy: 2.0905512893709486
Energy: 2.1626063880402664
Energy: 2.0923131616071213
Energy: 2.0903923316177515
Energy: 2.144648673584676
Energy: 2.0911338802440307
Energy: 2.1706272362289836
Energy: 2.0939945020421638
Energy: 2.0898039885346984
Energy: 2.145101686250937
Energy: 2.100644637395822
Energy: 2.0932856005997893
Energy: 2.1963955984615926
Energy: 2.1322868857163595
Energy: 2.094174429284485
Energy: 2.1021576525181227
Energy: 2.096259340685413
Energy: 2.1852465329691104
Energy: 2.134562873656404
Energy: 2.0914284540133794
Energy: 2.0931843026681483
Energy: 2.232854714197667
Energy: 2.102471377276825
Energy: 2.0993390636726255
Energy: 2.102910803817582
Energy: 2.0915334795674303
Energy: 2.2303732590545837
Energy: 2.100149590651451
Energy: 2.0998949341615503
Energy: 2.0937040925271373
Energy: 2.099154169822337
Energy: 2.118521255734938
Energy: 2.2294504329490112
Energy: 2.0926503415876483
Energy: 2.245630236200593
Energy: 2.0995359511302114
Energy: 2.128333841251464
Energy: 2.205996232114936
Energy: 2.0922918494443232
Energy: 2.2484174954326623
Energy: 2.0928212672592643
Energy: 2.1806027366751315
Energy: 2.1230675178432623
Energy: 2.133766069592014
Energy: 2.096760154702054
Energy: 2.1850497905364974
Energy: 2.1798668302706616
Energy: 2.165188825937774
Energy: 2.16202626594316
Energy: 2.247118212239334
Energy: 2.118056508325315
Energy: 2.1193770998210573
Energy: 2.120134213054247
Energy: 2.1469110743000774
Energy: 2.119308926169835
Energy: 2.119748868676306
Energy: 2.120145861711044
Energy: 2.1196215592267458
Energy: 2.1464200138429277
Energy: 2.1178176808856386
Energy: 2.122660608196416
Energy: 2.1565828431391405
Energy: 2.1239087006352886
Energy: 2.0904524126556567
Energy: 2.1477669750836914
Energy: 2.124007681349195
Energy: 2.217942666628588
Energy: 2.124311539063626
Energy: 2.111837151704871
Energy: 2.1494379224209124
Energy: 2.116877905271664
Energy: 2.1312498190682536
Energy: 2.1180330731029016
Energy: 2.1490957958554473
Energy: 2.1258044639020337
Energy: 2.118227442085762
Energy: 2.1201859521878386
Energy: 2.117680848531553
Energy: 2.1378161049910616
Energy: 2.12444986191669
Energy: 2.123241225087042
Energy: 2.120406297821504
Energy: 2.1268160349251213
Energy: 2.099571721417576
Energy: 2.1754252186832432
Energy: 2.125272761511105
Energy: 2.1209892132133974
Energy: 2.1233283811554573
Energy: 2.098542635941455
Energy: 2.1225490298240786
Energy: 2.086729176233626
Energy: 2.2015891044163816
Energy: 2.090818437965857
Energy: 2.091193870311226
Energy: 2.1920634862001784
Energy: 2.0874543027622456
Energy: 2.201506011960778
Energy: 2.0911971987400872
Energy: 2.091834781675342
Energy: 2.191980736529693
Energy: 2.0883971007789373
Energy: 2.122638684607676
Energy: 2.123240312155486
Energy: 2.119879720235462
Energy: 2.1721680074808476
Energy: 2.0881009916029685
Energy: 2.125114776204264
Energy: 2.120470196018977
Energy: 2.1713488941197783
Energy: 2.1507059026668203
Energy: 2.1169856138050203
Energy: 2.1342383814456714
Energy: 2.12393486883863
Energy: 2.1188872404309866
Energy: 2.143728167115142
Energy: 2.11726063854086
Energy: 2.1337226255736477
Energy: 2.124515024662061
Energy: 2.117375606429549
Energy: 2.141238870025946
Energy: 2.137710932153244
Energy: 2.123012129470491
Energy: 2.1236595128224613
Energy: 2.161783942098096
Energy: 2.116392413482684
Energy: 2.122643761903943
Energy: 2.1234605967203737
Energy: 2.1274113932064824
Energy: 2.159680313905654
Energy: 2.1209407033875567
Energy: 2.124045726788104
Energy: 2.133404210176735
Energy: 2.145071129795849
Energy: 2.1200053137331087
Energy: 2.119611835318831
Energy: 2.1223279475919252
Energy: 2.133648387109052
Energy: 2.124607624412773
Energy: 2.120525113134778
Energy: 2.117553791674862
Energy: 2.1651069058794064
Energy: 2.1462478276117665
Energy: 2.2151015044743194
Energy: 2.173117353097194
Energy: 2.140974252871041
Energy: 2.1660315836244934
Energy: 2.120963715655321
Energy: 2.215324863687326
Energy: 2.170688271687713
Energy: 2.1418258936293078
Energy: 2.1718937752291807
Energy: 2.1797081476895963
Energy: 2.133244776930877
Energy: 2.1323783107844814
Energy: 2.13982297324469
Energy: 2.2161476555816497
Energy: 2.1796095477721704
Energy: 2.1337786441785416
Energy: 2.1307100509521524
Energy: 2.1360146384881884
Energy: 2.227854006738243
Energy: 2.1008641729036923
Energy: 2.1656545009567374
Energy: 2.1202048591940885
Energy: 2.1447645641218243
Energy: 2.1649442526041622
Energy: 2.0960064551774606
Energy: 2.164580440375906
Energy: 2.091077825616744
Energy: 2.161954209834314
Energy: 2.1260910349872075
Energy: 2.1361283678398197
Energy: 2.1016885855479037
Energy: 2.1033841125733264
Energy: 2.0923693715295886
Energy: 2.127983940101007
Energy: 2.1415068610815986
Energy: 2.0986430343442257
Energy: 2.10187170673709
Energy: 2.0942428897044554
Energy: 2.118180720521838
Energy: 2.162032188830159
Energy: 2.0960823722146857
Energy: 2.0942247490015395
Energy: 2.142095914768749
Energy: 2.1209163343578523
Energy: 2.16246618521188
Energy: 2.095930635665945
Energy: 2.093231463525854
Energy: 2.1373206944525847
Energy: 2.171927444166282
Energy: 2.2555659774480126
Energy: 2.2254510650509705
Energy: 2.1003631372457576
Energy: 2.1730489669660886
Energy: 2.126885241679951
Energy: 2.2517679762054916
Energy: 2.2479737058873273
Energy: 2.0986277310016708
Energy: 2.136635996853456
Energy: 2.1174435706622874
Energy: 2.17349933894122
Energy: 2.0995360913828622
Energy: 2.0890578421396455
Energy: 2.183513076107028
Energy: 2.118519961745227
Energy: 2.2034111888431958
Energy: 2.092825057661676
Energy: 2.0870389949688795
Energy: 2.1812843818604284
Energy: 2.1236821456569737
Energy: 2.13483545772609
Energy: 2.1239471876760447
Energy: 2.103162294924824
Energy: 2.2140048034221897
Energy: 2.1234288673431148
Energy: 2.1949389417902916
Energy: 2.1220922600007097
Energy: 2.1354982525354775
Energy: 2.12093644463761
Energy: 2.22335670708364
Energy: 2.1650134302032247
Energy: 2.0866749215089393
Energy: 2.1190754859168757
Energy: 2.2136768166001426
Energy: 2.2251180306830007
Energy: 2.164467469357543
Energy: 2.0858487775932177
Energy: 2.1178162356325605
Energy: 2.2097586060289807
Energy: 2.1242186982317746
Energy: 2.1332362631925967
Energy: 2.1454237345584595
Energy: 2.115994257321151
Energy: 2.1383596985194475
Energy: 2.1533159588553175
Energy: 2.1086831746287817
Energy: 2.2051778943056854
Energy: 2.118131595095556
Energy: 2.117644533301836
Energy: 2.1376685160356983
Energy: 2.119073064371547
Energy: 2.237675167350136
Energy: 2.122895002082382
Energy: 2.1186965085665097
Energy: 2.1833442757957737
Energy: 2.1302076522655873
Energy: 2.1704266154412624
Energy: 2.121598809069853
Energy: 2.120239911508056
Energy: 2.162951504316753
Energy: 2.091563583834988
Energy: 2.1953328455775982
Energy: 2.1199022581814613
Energy: 2.163885460850766
Energy: 2.133862765410837
Energy: 2.0895568287356516
Energy: 2.1944045166913595
Energy: 2.117754676783132
Energy: 2.163276036154622
Energy: 2.162798227864856
Energy: 2.117826848073193
Energy: 2.1924299688072826
Energy: 2.086869091586411
Energy: 2.16712219597848
Energy: 2.164607275364658
Energy: 2.119659470543951
Energy: 2.1937921696810063
Energy: 2.0857508325931775
Energy: 2.167201428170983
Energy: 2.1221587139396894
Energy: 2.12460043500113
Energy: 2.1708028771187386
Energy: 2.120822681173934
Energy: 2.173237840753155
Energy: 2.1208163172595187
Energy: 2.1259468874314167
Energy: 2.1704808470760133
Energy: 2.119208761815125
Energy: 2.162874632233567
Energy: 2.11851840297432
Energy: 2.1337780876939756
Energy: 2.2357683197620846
Energy: 2.124900541940738
Energy: 2.11970644575197
Energy: 2.125094044705979
Energy: 2.121798064086867
Energy: 2.167127421720356
Energy: 2.1211427681214907
Energy: 2.12134383627266
Energy: 2.2102460412604445
Energy: 2.1193373309428503
Energy: 2.100724401566304
Energy: 2.132522092701313
Energy: 2.130223635408254
Energy: 2.212265509622499
Energy: 2.1209031771056175
Energy: 2.1034989387251066
Energy: 2.128442795276634
Energy: 2.128077411590165
Energy: 2.146167282850489
Energy: 2.1675890224299086
Energy: 2.1220769619325472
Energy: 2.1958783845996126
Energy: 2.1220953294575113
Energy: 2.1838037714093703
Energy: 2.167244276227045
Energy: 2.1303846333818184
Energy: 2.1350508975535334
Energy: 2.121777688985847
Energy: 2.199907020787257
Energy: 2.0948366201858
Energy: 2.1193227131397467
Energy: 2.207172100239811
Energy: 2.118575746451459
Energy: 2.11994040066589
Energy: 2.1330532637284585
Energy: 2.1222956678841363
Energy: 2.1740951462289666
Energy: 2.117806027348621
Energy: 2.1895982755406274
Energy: 2.15769495102554
Energy: 2.1729545361734726
Energy: 2.212910617547064
Energy: 2.1436582842862757
Energy: 2.176115004264676
Energy: 2.1610102081935545
Energy: 2.2256349859255176
Energy: 2.1987120287852724
Energy: 2.1639844521616727
Energy: 2.1406873723599884
Energy: 2.091780724784595
Energy: 2.0964868690812537
Energy: 2.162256195006783
Energy: 2.0843359605626084
Energy: 2.1029681797497184
Energy: 2.09378474379603
Energy: 2.0964440010041243
Energy: 2.161516600999023
Energy: 2.083939944411078
Energy: 2.0938798502842806
Energy: 2.1024274061175396
Energy: 2.098739498964437
Energy: 2.1192366745679365
Energy: 2.125115094206332
Energy: 2.0949630250665328
Energy: 2.104865740228295
Energy: 2.099452586656609
Energy: 2.116693802429137
Energy: 2.1236791524926453
Energy: 2.1625990469003087
Energy: 2.1233289796958004
Energy: 2.1691174687464594
Energy: 2.090080452475894
Energy: 2.1495854560913568
Energy: 2.146000537557435
Energy: 2.122525290251055
Energy: 2.1710088840562127
Energy: 2.0916792795015056
Energy: 2.1495112115124133
Energy: 2.170715138127696
Energy: 2.089938544596298
Energy: 2.141217472111372
Energy: 2.1778489531200247
Energy: 2.2157530830136998
Energy: 2.1037116712294113
Energy: 2.0878810881329826
Energy: 2.1516345701629245
Energy: 2.1815731855973213
Energy: 2.2203611087154043
Energy: 2.1425416182585413
Energy: 2.170258371676749
Energy: 2.1259424829063334
Energy: 2.11954499400996
Energy: 2.1636847632168137
Energy: 2.0982876309526746
Energy: 2.173754339912522
Energy: 2.12523629407809
Energy: 2.145330462670755
Energy: 2.163064637573281
Energy: 2.081709334758098
Energy: 2.129505617601793
Energy: 2.1224912418185284
Energy: 2.1290873829791197
Energy: 2.1245651131746928
Energy: 2.0838897289099467
Energy: 2.1290616137618286
Energy: 2.1230866710868823
Energy: 2.1296382058370855
Energy: 2.107708153652576

minimum gb energy = 2.081709334758098 eV
minimum distance =  2.27886542715751 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 2.132236048723687
Energy: 2.17735027575503
Energy: 2.1907649721244065
Energy: 2.1029212076474932
Energy: 2.08686705904137
Energy: 2.0751092820457147
Energy: 2.17659641143379
Energy: 2.1834899444799145
Energy: 2.1377763825297422
Energy: 2.147847975407873
Energy: 2.151058418303434
Energy: 2.129943023115134
Energy: 2.133580128417065
Energy: 2.1325874588009768
Energy: 2.1076988433525217
Energy: 2.1148682676248933
Energy: 2.0913411235051984
Energy: 2.1496855149848417
Energy: 2.0895416141457033
Energy: 2.1334167804286057
Energy: 2.174591712966647
Energy: 2.133173770922306
Energy: 2.130419146213761
Energy: 2.1218204339276703
Energy: 2.1636214208944162
Energy: 2.1686313876834813
Energy: 2.0918499840385225
Energy: 2.158290812823632
Energy: 2.1264486922373917
Energy: 2.1619449675402733
Energy: 2.175656554352448
Energy: 2.17516151349674
Energy: 2.1057849692181714
Energy: 2.1637137583682073
Energy: 2.1424691552323356
Energy: 2.164875611921574
Energy: 2.1867041896942867
Energy: 2.0942313030036828
Energy: 2.172704865477278
Energy: 2.189512125409194
Energy: 2.1992440548996846
Energy: 2.1003692104583727
Energy: 2.0994337580821916
Energy: 2.193305243904565
Energy: 2.1100170416318136
Energy: 2.21054790174975
Energy: 2.107639271494844
Energy: 2.096268111483324
Energy: 2.211246960400768
Energy: 2.1091737824369647
Energy: 2.11161077967945
Energy: 2.1495580536987875
Energy: 2.182703645473209
Energy: 2.157096725423621
Energy: 2.1090835893304196
Energy: 2.1123299760909977
Energy: 2.1569581772845132
Energy: 2.1988638424103137
Energy: 2.158056465696056
Energy: 2.1069722683894168
Energy: 2.1098664487283023
Energy: 2.1021694106983886
Energy: 2.1317202636938757
Energy: 2.1120505008144552
Energy: 2.1120518728478825
Energy: 2.109870079645079
Energy: 2.114269508259843
Energy: 2.116386345561484
Energy: 2.111296845263022
Energy: 2.113715072556885
Energy: 2.136058026236277
Energy: 2.0996280435161316
Energy: 2.132892996227626
Energy: 2.176355654869486
Energy: 2.123225737037503
Energy: 2.112722736343144
Energy: 2.122807080864568
Energy: 2.127589713300332
Energy: 2.1769232534986394
Energy: 2.12918848150552
Energy: 2.194321896059623
Energy: 2.13162043383803
Energy: 2.129845824974006
Energy: 2.138498600114518
Energy: 2.256497671030126
Energy: 2.1655808134251187
Energy: 2.1376299310503653
Energy: 2.1203921881050682
Energy: 2.0961630130353517
Energy: 2.2786783345942636
Energy: 2.1507127211161094
Energy: 2.1070048705908526
Energy: 2.145778013335065
Energy: 2.107054553005617
Energy: 2.136823522860116
Energy: 2.11313490676818
Energy: 2.1990470182556243
Energy: 2.0836235913802716
Energy: 2.1069846970200627
Energy: 2.087251100700604
Energy: 2.1198874303227395
Energy: 2.17048902071519
Energy: 2.0821590983592837
Energy: 2.1087471865900325
Energy: 2.185978123523696
Energy: 2.1337025670107033
Energy: 2.155055401742085
Energy: 2.0732622679470447
Energy: 2.072183067763659
Energy: 2.1899234007403705
Energy: 2.1006457379738004
Energy: 2.0874186618321358
Energy: 2.107335389781633
Energy: 2.1391424779236097
Energy: 2.105243038808935
Energy: 2.1014058100498256
Energy: 2.0874784538506033
Energy: 2.1075246328045574
Energy: 2.1209702215686455
Energy: 2.086244100937939
Energy: 2.149983701410685
Energy: 2.292294591877063
Energy: 2.135951034595555
Energy: 2.126652419076954
Energy: 2.135118693211697
Energy: 2.133251526219982
Energy: 2.1409437192537903
Energy: 2.1368085977010685
Energy: 2.1489483584723663
Energy: 2.1459152739204916
Energy: 2.1428184670448904
Energy: 2.119226789551724
Energy: 2.160387859068553
Energy: 2.248545602729883
Energy: 2.105181942714764
Energy: 2.1116590523233203
Energy: 2.14290479676602
Energy: 2.161266230507898
Energy: 2.2456791908290548
Energy: 2.1094271760235714
Energy: 2.1098418417115195
Energy: 2.1214705193705314
Energy: 2.118963621945978
Energy: 2.112636873349176
Energy: 2.1089907873714293
Energy: 2.244886213023144
Energy: 2.115372766189229
Energy: 2.1202717563317863
Energy: 2.1311855170419065
Energy: 2.116569871331764
Energy: 2.119253226807367
Energy: 2.161975378740398
Energy: 2.1140464699083155
Energy: 2.131176271916375
Energy: 2.136836862086969
Energy: 2.1670960528341476
Energy: 2.124322089855673
Energy: 2.114600685061567
Energy: 2.113076723238897
Energy: 2.146255950293444
Energy: 2.119127918035002
Energy: 2.217163135256867
Energy: 2.1208805027889954
Energy: 2.1486844209424913
Energy: 2.1146751906737182
Energy: 2.1180380135058403
Energy: 2.214296642803434
Energy: 2.14677970395895
Energy: 2.150099297931368
Energy: 2.114491880849778
Energy: 2.127704839433183
Energy: 2.1988402783414083
Energy: 2.125579659737077
Energy: 2.166533655048663
Energy: 2.1350497711137386
Energy: 2.0858495626331592
Energy: 2.110610421741477
Energy: 2.1231472759532477
Energy: 2.166781938836343
Energy: 2.116813348919985
Energy: 2.1094670763600822
Energy: 2.1891123234612744
Energy: 2.272057530073529
Energy: 2.1382816439056684
Energy: 2.193796510525153
Energy: 2.108411680625681
Energy: 2.215400561727246
Energy: 2.246697352728275
Energy: 2.142128610496801
Energy: 2.137469933809082
Energy: 2.0836495144108214
Energy: 2.113383405088157
Energy: 2.144283491039681
Energy: 2.085969618161695
Energy: 2.1921143422290363
Energy: 2.1827352568668794
Energy: 2.142084616616027
Energy: 2.1402028686332417
Energy: 2.084379015712964
Energy: 2.214805973262253
Energy: 2.0748352758995963
Energy: 2.227562232428204
Energy: 2.0846389874153672
Energy: 2.1157573251908914
Energy: 2.1869398867556478
Energy: 2.081628567086897
Energy: 2.167105443493231
Energy: 2.1328443082204913
Energy: 2.083805583544079
Energy: 2.0947561123440965
Energy: 2.146139443641385
Energy: 2.109789056263523
Energy: 2.145106328745566
Energy: 2.0902641962149167
Energy: 2.116186483922541
Energy: 2.137070811456973
Energy: 2.1100605924354654
Energy: 2.139710561390001
Energy: 2.0865801447300156
Energy: 2.109667030794421
Energy: 2.1718858444112485
Energy: 2.127205759981449
Energy: 2.084146727509308
Energy: 2.2294309486982233
Energy: 2.285963708835359
Energy: 2.172669316194047
Energy: 2.0875666861304407
Energy: 2.1632903840292177
Energy: 2.177857797226751
Energy: 2.1873505035918672
Energy: 2.2653922027754545
Energy: 2.1103762623503157
Energy: 2.0919800155373363
Energy: 2.170436958329138
Energy: 2.1679334793915763
Energy: 2.2727023308191607
Energy: 2.0961013961121395
Energy: 2.116866565626021
Energy: 2.1713226558561627
Energy: 2.1632566873364043
Energy: 2.2123967240320415
Energy: 2.10109425920233
Energy: 2.1846894355309785
Energy: 2.215643472517727
Energy: 2.111692044296959
Energy: 2.2181954758898588
Energy: 2.1039042561862042
Energy: 2.122680309879472
Energy: 2.2164364964536873
Energy: 2.11380300751545
Energy: 2.1153633816657496
Energy: 2.174242851866019
Energy: 2.1292631529063217
Energy: 2.1658650903542633
Energy: 2.1141966764744398
Energy: 2.115917587960015
Energy: 2.1780424661522115
Energy: 2.1050719844187333
Energy: 2.1637638925089813
Energy: 2.1146325428403876
Energy: 2.0983599219304665
Energy: 2.1009364340181236
Energy: 2.126204172031574
Energy: 2.11442955453185
Energy: 2.1073224155399055
Energy: 2.113411968401775
Energy: 2.1011584565734425
Energy: 2.102879500050788
Energy: 2.2140373269736586
Energy: 2.144476309027597
Energy: 2.09729836311718
Energy: 2.1251125621301714
Energy: 2.123034400409211
Energy: 2.177206497957952
Energy: 2.08406185525315
Energy: 2.113841795263306
Energy: 2.12383997672305
Energy: 2.1062475814800754
Energy: 2.176289399121348
Energy: 2.1202794386602895
Energy: 2.1880442852350726
Energy: 2.1190962354351415
Energy: 2.1317702109148344
Energy: 2.1926994446018333
Energy: 2.218579259100291
Energy: 2.1926786502982725
Energy: 2.1374168336197767
Energy: 2.103453143861969
Energy: 2.1819045549257976
Energy: 2.1285577949783763
Energy: 2.1559387791226876
Energy: 2.086719929211804
Energy: 2.2655535251539276
Energy: 2.082385138843096
Energy: 2.1174461244867415
Energy: 2.1427348666886945
Energy: 2.105842427951583
Energy: 2.136816386066501
Energy: 2.086665963641092
Energy: 2.1205830936937815
Energy: 2.135885759568549
Energy: 2.102784552519037
Energy: 2.071828430843065
Energy: 2.0708780212042215
Energy: 2.122141825072116
Energy: 2.1321650087313855
Energy: 2.1376043793973585
Energy: 2.0862154319077835
Energy: 2.081220027842519
Energy: 2.1427118380323256
Energy: 2.135349365827032
Energy: 2.1075602538805183
Energy: 2.1071076011611765
Energy: 2.1160516690427373
Energy: 2.1337813047057264
Energy: 2.130109240723735
Energy: 2.1227727462405985
Energy: 2.184022894465528
Energy: 2.109939069791001
Energy: 2.129711633567267
Energy: 2.1901424022822877
Energy: 2.118346664417106
Energy: 2.1379258500379548
Energy: 2.1386403881801166
Energy: 2.136164794738
Energy: 2.1932028472776137
Energy: 2.118832508380029
Energy: 2.145074441685071
Energy: 2.135600030861146
Energy: 2.1247157274134723
Energy: 2.1014408534146485
Energy: 2.1148505823029886
Energy: 2.131133427671267
Energy: 2.1486999343786053
Energy: 2.131687671299065
Energy: 2.1298828391129527
Energy: 2.1448938999278035
Energy: 2.238450794494492
Energy: 2.1319767372103846
Energy: 2.0950238685118676
Energy: 2.254731611180408
Energy: 2.1084132151749406
Energy: 2.109964021487309
Energy: 2.1324359725228392
Energy: 2.1080457818119682
Energy: 2.2082922401232357
Energy: 2.104751820473491
Energy: 2.1093828307983324
Energy: 2.146876969862211
Energy: 2.1069018026078705
Energy: 2.1089862273581583
Energy: 2.1572669978213765
Energy: 2.1062609690591643
Energy: 2.119135993173245
Energy: 2.1360573989015452
Energy: 2.1092154638223386
Energy: 2.1597213529856747
Energy: 2.103690251833156
Energy: 2.1242409789587744
Energy: 2.1128188676884085
Energy: 2.1335342662639225
Energy: 2.2074910529738125
Energy: 2.1278029698179433
Energy: 2.100630615086242
Energy: 2.0976192558401436
Energy: 2.1217667818590686
Energy: 2.1803497650895634
Energy: 2.1139384316915275
Energy: 2.1275120184229315
Energy: 2.1319344605249997
Energy: 2.114639143784911
Energy: 2.1772136562160154
Energy: 2.1156337405994328
Energy: 2.159906831627835
Energy: 2.167548172083592
Energy: 2.0842074225277143
Energy: 2.148993742391942
Energy: 2.1116377415016467
Energy: 2.1960944876877146
Energy: 2.155688775070293
Energy: 2.1358334936216337
Energy: 2.230087950015902
Energy: 2.113925762761571
Energy: 2.146560131917776
Energy: 2.1994939298437477
Energy: 2.100250073812955
Energy: 2.21606498009473
Energy: 2.2635868959234795
Energy: 2.12993583560483
Energy: 2.239065980528103
Energy: 2.111806721936281
Energy: 2.188282936669306
Energy: 2.146920466971612
Energy: 2.113117495354777
Energy: 2.24309502030279
Energy: 2.0717679153802977
Energy: 2.113472699704793
Energy: 2.130908321536048
Energy: 2.1156409358141275
Energy: 2.2491773982643926

minimum gb energy = 2.0708780212042215 eV
minimum distance =  2.26265689073906 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 2.091307982351409
Energy: 2.095222943214947
Energy: 2.2207990977049934
Energy: 2.09563810420834
Energy: 2.0720036633402454
Energy: 2.091124518062485
Energy: 2.0936066060169294
Energy: 2.2214729460507163
Energy: 2.093872465069653
Energy: 2.0726847720422357
Energy: 2.2292817594561836
Energy: 2.0921970958669323
Energy: 2.091050001008209
Energy: 2.091944386516278
Energy: 2.091203712260591
Energy: 2.233402584549459
Energy: 2.0931049187837587
Energy: 2.0739675658630046
Energy: 2.0929949516413417
Energy: 2.0903744591256372
Energy: 2.095140821692531
Energy: 2.0933061702180473
Energy: 2.0953937344909273
Energy: 2.0957793511583036
Energy: 2.232884525880808
Energy: 2.093256389619424
Energy: 2.092587733612048
Energy: 2.0936526394066672
Energy: 2.2248376376828944
Energy: 2.2306696021331436
Energy: 2.2224752301579893
Energy: 2.0853620640547863
Energy: 2.0747171733328873
Energy: 2.091505645879614
Energy: 2.2292601507305188
Energy: 2.221973932718762
Energy: 2.088299488493817
Energy: 2.073215601370104
Energy: 2.0930906723588514
Energy: 2.079221740870165
Energy: 2.093565606066519
Energy: 2.0739535428921925
Energy: 2.0882477178738346
Energy: 2.096076828400454
Energy: 2.0930611113311928
Energy: 2.092068877272866
Energy: 2.0743038839603307
Energy: 2.084961975295037
Energy: 2.093998270341368
Energy: 2.091931777777933
Energy: 2.0931238260189775
Energy: 2.222362476943447
Energy: 2.0922199570763502
Energy: 2.095225182214375
Energy: 2.0728914677657313
Energy: 2.0939896208367914
Energy: 2.2207280989858886
Energy: 2.094129357110508
Energy: 2.09688792485821
Energy: 2.072175242508083
Energy: 2.2212728188691235
Energy: 2.079223494770896
Energy: 2.09150480657799
Energy: 2.0919326134745777
Energy: 2.0941170745791897
Energy: 2.2216500381609148
Energy: 2.0790226091845008
Energy: 2.0908520483072137
Energy: 2.091694311365504
Energy: 2.093263826751205
Energy: 2.0926119763002498
Energy: 2.236145155309722
Energy: 2.0954080964583546
Energy: 2.090406202115809
Energy: 2.0726358166398677
Energy: 2.093303981150008
Energy: 2.238430916952011
Energy: 2.095689512703368
Energy: 2.0915063976995483
Energy: 2.0728308470238734
Energy: 2.092204590251173
Energy: 2.0747188646081374
Energy: 2.0910806453084927
Energy: 2.076474262024088
Energy: 2.2301551038598424
Energy: 2.0912660537606205
Energy: 2.091424689550047
Energy: 2.0903802663643574
Energy: 2.0793038073381678
Energy: 2.2283728215814635
Energy: 2.096591299495567
Energy: 2.095601099807226
Energy: 2.236970309673693
Energy: 2.221608269911363
Energy: 2.0983992344312656
Energy: 2.0960449961375436
Energy: 2.095694706567779
Energy: 2.2406121068045426
Energy: 2.2354607777903306
Energy: 2.094348455485615
Energy: 2.0828634307113565
Energy: 2.0911092497253874
Energy: 2.0989401582044773
Energy: 2.2222268723739487
Energy: 2.2302720481736986
Energy: 2.079829824648697
Energy: 2.0912825218589326
Energy: 2.078751369569495
Energy: 2.2224957488079005
Energy: 2.233410684485571
Energy: 2.0915892153171307
Energy: 2.095903633577123
Energy: 2.1013884211941147
Energy: 2.0953500619366725
Energy: 2.071888975415685
Energy: 2.0922082292672552
Energy: 2.0941332181461934
Energy: 2.0962996957427644
Energy: 2.0940836646199226
Energy: 2.0725442162584113
Energy: 2.2291777204914514
Energy: 2.092119576732567
Energy: 2.090837421748575
Energy: 2.0917424926241988
Energy: 2.0902938871623347
Energy: 2.232878496263716
Energy: 2.093142796241494
Energy: 2.074548679383558
Energy: 2.0928811834276817
Energy: 2.090028672263371
Energy: 2.095797218710146
Energy: 2.093825768321396
Energy: 2.0953365963924657
Energy: 2.0958774794431583
Energy: 2.231931363829298
Energy: 2.0936750989719846
Energy: 2.092748405465509
Energy: 2.0939420549738643
Energy: 2.2219532485260447
Energy: 2.2310678252152996
Energy: 2.2232183047816685
Energy: 2.084573524954101
Energy: 2.0750266238603188
Energy: 2.0912998020994715
Energy: 2.229003824726981
Energy: 2.2222334670848762
Energy: 2.0876455544921386
Energy: 2.0734052195436807
Energy: 2.0927998616932535
Energy: 2.232336446187412
Energy: 2.0942875559659626
Energy: 2.0746424606883416
Energy: 2.0888919855743797
Energy: 2.096113187816359
Energy: 2.093248605407363
Energy: 2.0923792019794507
Energy: 2.0743582399813985
Energy: 2.085608977801165
Energy: 2.09394126953368
Energy: 2.092048743122421
Energy: 2.0925869839262727
Energy: 2.2223816632756033
Energy: 2.0921452165801306
Energy: 2.0946940260210676
Energy: 2.0734451840400334
Energy: 2.093691657479472
Energy: 2.2209654746180973
Energy: 2.093334186524758
Energy: 2.096760584296183
Energy: 2.071974384218798
Energy: 2.2216839319994737
Energy: 2.0792729953006646
Energy: 2.091625825172739
Energy: 2.091877484523731
Energy: 2.094667304772267
Energy: 2.22209964470856
Energy: 2.079190097321116
Energy: 2.0909649230074763
Energy: 2.091767040430044
Energy: 2.0935042793681853
Energy: 2.0922190192846424
Energy: 2.2366613260025128
Energy: 2.095808963239924
Energy: 2.0900316314626055
Energy: 2.073335306985017
Energy: 2.092888557673716
Energy: 2.239370679272462
Energy: 2.095710008262564
Energy: 2.0915045403126062
Energy: 2.0738386597454004
Energy: 2.0922969037155097
Energy: 2.074374485422616
Energy: 2.091361864630713
Energy: 2.0761774773451562
Energy: 2.229971273936023
Energy: 2.091143077584149
Energy: 2.0912267192240956
Energy: 2.090462891687945
Energy: 2.0789060283227347
Energy: 2.0927313184583127
Energy: 2.0962137806184526
Energy: 2.0951993917631193
Energy: 2.240923267347363
Energy: 2.2217493983804655
Energy: 2.0961749101343345
Energy: 2.096117016343093
Energy: 2.095537133129663
Energy: 2.2425882473589605
Energy: 2.0931620298784903
Energy: 2.0949040555771106
Energy: 2.0833319574403526
Energy: 2.0914436311385036
Energy: 2.0988003754454687
Energy: 2.2226535954010895
Energy: 2.229384868492901
Energy: 2.0799730193392425
Energy: 2.0911553234377447
Energy: 2.0785497367843653
Energy: 2.2218889887426334
Energy: 2.2320882682466716

minimum gb energy = 2.071888975415685 eV
minimum distance =  2.29552029489278 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.0208045961931296
Energy: 2.0782936570009465
Energy: 2.231731279359793
Energy: 2.1668439748359005
Energy: 2.164533693267614
Energy: 2.020223856232947
Energy: 1.998217187021214
Energy: 2.231648197857657
Energy: 2.1627475350897654
Energy: 2.026502220300198
Energy: 2.0077539724532554
Energy: 2.2046761308550358
Energy: 2.030995511680867
Energy: 2.0266525733220964
Energy: 2.055245859893527
Energy: 2.008608163687831
Energy: 2.2041378471678397
Energy: 2.028977690813146
Energy: 2.202642693595999
Energy: 2.180972688692844
Energy: 2.207230427510573
Energy: 2.0349983832361302
Energy: 2.006178767527869
Energy: 2.09364930589061
Energy: 2.1193418718721553
Energy: 2.2058450648881016
Energy: 2.0363772753841487
Energy: 2.006455071384368
Energy: 2.0923279089023636
Energy: 2.0050870036940225
Energy: 2.0125195820489394
Energy: 2.0014558366535806
Energy: 2.137551439222998
Energy: 2.2067035985720715
Energy: 2.0054525872034934
Energy: 2.0136172070859315
Energy: 2.004713314704673
Energy: 2.1015482445432303
Energy: 2.206511135400988
Energy: 2.1188145980633744
Energy: 2.0070609980068577
Energy: 2.1011908950103013
Energy: 2.0007464195086926
Energy: 2.007533450826617
Energy: 2.2037075311580954
Energy: 2.0075343364985243
Energy: 2.1015728422275997
Energy: 2.067263129029808
Energy: 2.00771386694746
Energy: 2.204750301799328
Energy: 1.984079135912985
Energy: 2.006147398837422
Energy: 2.0081154437413815
Energy: 2.28147056162364
Energy: 1.9830321720246806
Energy: 2.0083371058318864
Energy: 2.0072904960171516
Energy: 2.006832649249163
Energy: 2.283227312397046
Energy: 2.0976272173505226
Energy: 2.0054501355084837
Energy: 2.0043594795663404
Energy: 2.0057835022849897
Energy: 2.059029570198603
Energy: 2.275934408307903
Energy: 2.005763482972143
Energy: 2.004830619779306
Energy: 2.0060916634211257
Energy: 2.059797717744819
Energy: 2.257015616812449
Energy: 2.1041708449351915
Energy: 2.0053210856803485
Energy: 2.0963766105270354
Energy: 2.0028317393354853
Energy: 2.303740618341324
Energy: 2.103124121004316
Energy: 2.0058605908675102
Energy: 2.0073735027411685
Energy: 2.0018696889359595
Energy: 2.102574853394998
Energy: 2.0277958399184377
Energy: 1.983185305095618
Energy: 2.180304684039643
Energy: 2.004197971667655
Energy: 2.0069690336837276
Energy: 2.028055414463917
Energy: 1.982942834219732
Energy: 2.1391720384748663
Energy: 2.0041065873506203
Energy: 2.007532456688961
Energy: 2.1902031016291366
Energy: 2.0241803605616857
Energy: 2.006340709728414
Energy: 2.005709132942794
Energy: 2.0059373039072077
Energy: 2.0758326025125924
Energy: 2.024964243659977
Energy: 2.0056460642686527
Energy: 2.0053682719829773
Energy: 2.005858287209388
Energy: 2.2179622390934193
Energy: 2.0824484476350555
Energy: 2.007235360835777
Energy: 2.0060805686273526
Energy: 2.0073282184083423
Energy: 2.218693221501209
Energy: 1.9964971899122432
Energy: 2.0070014007553403
Energy: 2.0053144287341946
Energy: 2.006667614055378
Energy: 2.0017091892251964
Energy: 2.205706076322088
Energy: 2.102046823455913
Energy: 2.0072388846286255
Energy: 2.283372577604782
Energy: 2.002502700964733
Energy: 2.206175056002301
Energy: 2.007123027340553
Energy: 2.0067217217214326
Energy: 2.2889272259208733
Energy: 2.2285449959514283
Energy: 2.007681124208213
Energy: 2.0266321408867047
Energy: 2.1093107951080285
Energy: 1.9942536617355051
Energy: 2.226522985345436
Energy: 2.007565747634215
Energy: 2.0249547116236934
Energy: 2.1088179211288645
Energy: 2.1250874830862507
Energy: 2.027941448800161
Energy: 2.2027721464277996
Energy: 2.226656651515792
Energy: 2.21080478281809
Energy: 2.0078498357748744
Energy: 2.0276978198309674
Energy: 2.203519399143158
Energy: 2.204915081418632
Energy: 2.2092933365683005
Energy: 2.0078263412038306
Energy: 2.120120220966873
Energy: 2.0118760710118297
Energy: 2.0072087038690434
Energy: 2.209330844090391
Energy: 2.0074294936424164
Energy: 2.1201396477575867
Energy: 2.009180873905867
Energy: 2.006538159360946
Energy: 2.072007549721173
Energy: 2.0069622366069573
Energy: 2.279659240239007
Energy: 2.206530223177414
Energy: 2.007131080955623
Energy: 2.009828440169793
Energy: 1.994921045585391
Energy: 2.2789191045075947
Energy: 2.207329626763078
Energy: 2.008118574543032
Energy: 2.0081304580184143
Energy: 1.9931035275608322
Energy: 2.0024628254746912
Energy: 2.053918554890652
Energy: 2.007577554649989
Energy: 2.280154351780834
Energy: 2.0028690394137842
Energy: 2.002633559620439
Energy: 2.0530857655983614
Energy: 2.0595521361837887
Energy: 2.283192766478499
Energy: 2.0019042810142977
Energy: 2.277603524050482
Energy: 2.3738182680426285
Energy: 1.9888449330438591
Energy: 2.091316463594837
Energy: 2.006963943191402
Energy: 2.277206459455549
Energy: 2.3755626166683323
Energy: 1.9864568136109797
Energy: 2.0903909737013073
Energy: 2.007833909232867
Energy: 2.003629142496323
Energy: 2.0049934148152464
Energy: 2.0669646487660582
Energy: 2.0041661861986784
Energy: 2.0055917174797044
Energy: 2.003827804788075
Energy: 2.0049914968184863
Energy: 2.0068694920454004
Energy: 2.0032487786880773
Energy: 2.005087791466216
Energy: 2.006861002046995
Energy: 2.0043112368804032
Energy: 2.1818602138069423
Energy: 2.0076170868926426
Energy: 2.0071696045299987
Energy: 2.0063985352278784
Energy: 2.005887670764644
Energy: 2.1068473232164755
Energy: 2.0064267190506135
Energy: 2.0066309968212077
Energy: 2.1050863813541705
Energy: 2.118805345726313
Energy: 2.096103375538997
Energy: 2.0244724617203027
Energy: 2.0299892277686142
Energy: 2.1046347865370647
Energy: 2.0029578576328335
Energy: 2.094309958149703
Energy: 1.979579818301701
Energy: 2.1042937742250434
Energy: 2.0062146945690698
Energy: 2.0067340795467614
Energy: 2.109860000178007
Energy: 1.9833299834897975
Energy: 2.0276422930423728
Energy: 2.0066517150990992
Energy: 2.0076166857079594
Energy: 2.1067248214670933
Energy: 1.9832751921780882
Energy: 2.027402587625129
Energy: 2.0048963783951725
Energy: 2.0054509568206305
Energy: 2.0077403961207065
Energy: 2.005350933182107
Energy: 2.003627773989646
Energy: 2.0045922296389556
Energy: 2.0063594858348344
Energy: 2.0519212927239407
Energy: 2.059800218147217
Energy: 2.003929095826475
Energy: 2.0074907319531827
Energy: 2.009240206688098
Energy: 2.004292404430805
Energy: 2.0051642419717894
Energy: 2.277926623863526
Energy: 2.006493093116763
Energy: 2.009598399506027
Energy: 2.0039575634789424
Energy: 2.204469272736462
Energy: 2.278307690928176
Energy: 2.0238078738714957
Energy: 2.280194790536125
Energy: 2.228649180169085
Energy: 2.1967993622329676
Energy: 1.9806212487860713
Energy: 2.0246908134632555
Energy: 2.2786822096184927
Energy: 2.2282483708352476
Energy: 2.156986040657129
Energy: 2.02503881883254
Energy: 2.1022522411644013
Energy: 2.205655792591271
Energy: 2.0253515133291486
Energy: 2.2056107173481787
Energy: 2.278521464270798
Energy: 2.1042792990974153
Energy: 2.0101567582290514
Energy: 2.024504314109205
Energy: 2.2049530860888207
Energy: 2.3636670365487524
Energy: 2.0062750389207515
Energy: 2.0356095321672796
Energy: 2.0069407065590243
Energy: 2.0110654332302005
Energy: 2.118773694379595
Energy: 2.006865056328924
Energy: 2.2082721894959825
Energy: 2.006748046343997
Energy: 2.0136723481819327
Energy: 2.1187407986710847
Energy: 2.009416315329208
Energy: 2.2097485383059015
Energy: 2.12220075114876
Energy: 2.206677781849741
Energy: 2.0059248690561717
Energy: 2.009468165555495
Energy: 2.210885377528548
Energy: 2.143233913719534
Energy: 2.205788443868569
Energy: 2.005186647265359
Energy: 2.0550676462719912
Energy: 2.1010872088260824
Energy: 2.002476000035334
Energy: 2.007290893253905
Energy: 2.2251336415916474
Energy: 2.0563292031605287
Energy: 2.247930476026084
Energy: 2.0035804000451485
Energy: 2.007507728620087
Energy: 2.2278084413736883
Energy: 2.373703728637117
Energy: 2.0063384963613213
Energy: 2.0081958720300195
Energy: 2.283954944010271
Energy: 1.987439487743523
Energy: 2.008286692367953
Energy: 2.007071208248355
Energy: 2.1021713746708333
Energy: 2.2871982273815603
Energy: 1.9820236689805049
Energy: 2.0066580088146497
Energy: 2.003934259431898
Energy: 2.0075726384296515
Energy: 1.9963346186402846
Energy: 2.22044613944654
Energy: 2.007287153715777
Energy: 2.004883361273757
Energy: 2.007365799497273
Energy: 1.9970689485273212
Energy: 2.2727157402213503
Energy: 2.0057477009998257
Energy: 2.0057913318718046
Energy: 2.0063237944743153
Energy: 2.0017306033963425
Energy: 2.1025612433622523
Energy: 2.0058038338901185
Energy: 2.006168666418085
Energy: 2.006969658164113
Energy: 2.0013108134511715
Energy: 2.1031675096004863
Energy: 2.0951897571583813
Energy: 2.029874757172386
Energy: 2.1804745251961397
Energy: 2.0507856510530806
Energy: 2.09263084600247
Energy: 2.0276724831588306
Energy: 2.10801633598479
Energy: 2.1387156375389695
Energy: 2.007171759620228
Energy: 2.098186606351714
Energy: 2.1083123304561466
Energy: 1.9812381353804966
Energy: 2.0078378714215166
Energy: 2.0055604003374006
Energy: 2.005879206718555
Energy: 2.0747269810111773
Energy: 1.9811281646836423
Energy: 2.0066381352306455
Energy: 2.0055320487716313
Energy: 2.066407224590902
Energy: 2.2856453414937503
Energy: 2.0599480569558524
Energy: 2.0069041622132384
Energy: 2.004859935281037
Energy: 2.0066871214742927
Energy: 2.230200997551138
Energy: 1.9965013321022784
Energy: 2.0061369363346415
Energy: 2.0035839959069497
Energy: 2.006370176409575
Energy: 2.003098430296767
Energy: 2.2931377044397347
Energy: 2.0065127968970398
Energy: 2.0074601766373044
Energy: 2.0069832665652263
Energy: 2.0069183525118865
Energy: 2.2824613147426316
Energy: 2.0084134488147427
Energy: 2.006204405116626
Energy: 2.0086826505717212
Energy: 2.2061870452671233
Energy: 2.007284968958381
Energy: 2.021862936690961
Energy: 2.106248539932242
Energy: 2.09850228397075
Energy: 2.281296288084686
Energy: 2.0079374466538553
Energy: 2.0206789196527053
Energy: 2.1055948122165953
Energy: 2.0563354355401824
Energy: 2.023373846670486
Energy: 2.2066774992181517
Energy: 2.1231298104510903
Energy: 2.026273805203818
Energy: 2.011533357247505
Energy: 2.022902400406675
Energy: 2.2072596860863705
Energy: 2.021067342060372
Energy: 2.025686277484257
Energy: 2.0107722831807413
Energy: 2.1180483859207286
Energy: 2.01551646447419
Energy: 2.0071650542874395
Energy: 2.0746069531202247
Energy: 2.2069986398816726
Energy: 2.120900591252533
Energy: 2.010633094401136
Energy: 2.006342581427738
Energy: 2.0353136296310397
Energy: 2.2076735922187285
Energy: 2.356464272117568
Energy: 2.2048384258492004
Energy: 2.007437552604007
Energy: 2.205195290792997
Energy: 2.0566441404886784
Energy: 2.3639326072063223
Energy: 2.2045207572139245
Energy: 2.0083801739464544
Energy: 2.2056015120642734
Energy: 2.054166997978336
Energy: 2.003304826623149
Energy: 2.2563396360215084
Energy: 2.2293232572504347
Energy: 2.0789898623963716
Energy: 2.00281481716331
Energy: 2.003690871283554
Energy: 2.2558691740744012
Energy: 2.228971748673049
Energy: 2.0777727624120397
Energy: 2.0012010768134356
Energy: 2.2786096888414593
Energy: 2.375715729541903
Energy: 2.378825836924062
Energy: 2.089045013987981
Energy: 2.0069280326766687
Energy: 2.2051956982253262
Energy: 2.3770789818939235
Energy: 2.376823804746628
Energy: 2.0080295046831966
Energy: 2.0082187746116404
Energy: 2.0055478321778586
Energy: 2.0599111534896823
Energy: 2.051544355505988
Energy: 2.0056845268359877
Energy: 2.004628079721075
Energy: 2.004494345952639
Energy: 2.0052534084350717
Energy: 2.0076289510591008
Energy: 2.004953464316126
Energy: 2.0045279087719705
Energy: 2.009081914947937
Energy: 2.0063480240890206
Energy: 2.1110653773377
Energy: 2.0070258492644157
Energy: 2.006862266310575
Energy: 2.095106476285556
Energy: 2.0500380399790386
Energy: 2.1087744587030577
Energy: 2.0060499779380403
Energy: 2.0062097784403066
Energy: 2.103010609261839
Energy: 2.001386465685408
Energy: 2.0069423781821363
Energy: 2.02441262267159
Energy: 2.104104682039911
Energy: 2.102985956070948
Energy: 2.0018198264023037
Energy: 2.0074142299490565
Energy: 2.024913969052994
Energy: 2.1404756438273944
Energy: 2.0066775389119407
Energy: 2.0071923289270974
Energy: 2.107140318325849
Energy: 1.9822955281338082
Energy: 2.0277821919316117
Energy: 2.0069276309508712
Energy: 2.0080189568613234
Energy: 2.1389557610586816
Energy: 1.9817568433555857
Energy: 2.027670835119422
Energy: 2.0045518684525687
Energy: 2.00339628787674
Energy: 2.006620324812467
Energy: 2.0050928274342708
Energy: 2.003775680356801
Energy: 2.0047092089768115
Energy: 2.0047723817420966
Energy: 2.067756631552104
Energy: 2.004923890667634
Energy: 2.0037962085188945
Energy: 2.007324349542953
Energy: 2.006206226220946
Energy: 2.005782612623208
Energy: 2.2894233631337495
Energy: 2.27733552211404
Energy: 2.0065426409044975
Energy: 2.092204009351943
Energy: 2.0054523336953456
Energy: 2.2949766803064615
Energy: 2.278695176317641
Energy: 2.020824191293279
Energy: 2.2821861160161236
Energy: 2.0644296185293
Energy: 2.052720427490661
Energy: 1.9810793825747903
Energy: 2.0233622284237063
Energy: 2.279301339313805
Energy: 2.009059590824024
Energy: 2.0533913174188547
Energy: 1.981484630026766

minimum gb energy = 1.979579818301701 eV
minimum distance =  2.25712380844923 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.024156073145497
Energy: 1.9180879966961277
Energy: 1.86625164072063
Energy: 2.022288720098319
Energy: 1.7936186602055069
Energy: 1.9931788096724308
Energy: 1.916698571471912
Energy: 1.8669633471686364
Energy: 2.020179245320413
Energy: 1.9965545148241708
Energy: 1.7919964108361237
Energy: 2.0985251223164707
Energy: 1.788169177474978
Energy: 2.2036885201971175
Energy: 1.7958393531796242
Energy: 1.7915713014391017
Energy: 2.100033895213401
Energy: 1.7894749797038765
Energy: 2.097448519098035
Energy: 1.7962308198435313
Energy: 2.0017688742683166
Energy: 1.7952862380554624
Energy: 1.895553966197486
Energy: 1.863899443778853
Energy: 1.7938895426308825
Energy: 2.0018934904701844
Energy: 1.7949168230476287
Energy: 1.8970543977788854
Energy: 1.8630735758389894
Energy: 1.7926896354636177
Energy: 1.8651150837614212
Energy: 1.874970971812382
Energy: 2.0891998149309488
Energy: 1.9992244814989768
Energy: 1.7904066801714937
Energy: 1.8657486907289513
Energy: 1.8617758045238382
Energy: 2.088140200260671
Energy: 1.9990021444167467
Energy: 1.8926935694283797
Energy: 1.9814765938415495
Energy: 1.914839346216867
Energy: 1.81224376846004
Energy: 1.819418046010632
Energy: 1.9979146365911389
Energy: 1.981217824713478
Energy: 1.914862542776431
Energy: 1.8130847234225396
Energy: 1.8156147690614237
Energy: 1.9963783207347183
Energy: 1.7906486401635866
Energy: 1.8751061194930192
Energy: 1.895290775370225
Energy: 1.8192695939573493
Energy: 1.9921657376599209
Energy: 1.9173742240604168
Energy: 1.800918542550167
Energy: 1.994640828263992
Energy: 1.8206153374661138
Energy: 1.992985255403429
Energy: 2.0048342061617803
Energy: 1.9985008739179015
Energy: 2.0026621668452713
Energy: 1.7949797601682103
Energy: 1.891831057873272
Energy: 2.0032850672424214
Energy: 1.9994993623515798
Energy: 2.001424433353072
Energy: 1.865531774447116
Energy: 1.8923172585537646
Energy: 2.0201967423143876
Energy: 1.790772835378624
Energy: 1.7995855791301456
Energy: 1.8649608778644
Energy: 2.101898472829115
Energy: 2.0274323536019034
Energy: 1.7893521604225302
Energy: 1.8006978480916407
Energy: 1.8653721729144352
Energy: 2.1020001587565096
Energy: 1.8647632357427073
Energy: 2.089842271529496
Energy: 1.9172025634623109
Energy: 1.791079700617642
Energy: 1.8637445489232656
Energy: 1.8636355795354884
Energy: 2.090266023861413
Energy: 1.91626631259248
Energy: 2.1341047026384734
Energy: 1.8613588368569642
Energy: 1.9217988699380557
Energy: 2.0031464256823117
Energy: 1.791123285563042
Energy: 2.219563750248305
Energy: 1.9188937243854793
Energy: 1.8150685349517812
Energy: 1.948800581486443
Energy: 1.7922500015207803
Energy: 2.2155137102711935
Energy: 1.9186330752148106
Energy: 1.7911367069748647
Energy: 1.791983135662607
Energy: 1.917643246111697
Energy: 1.992835322443287
Energy: 1.7930099884673751
Energy: 1.7908544368697659
Energy: 1.791612391099531
Energy: 1.9181651456982263
Energy: 1.99423492854758
Energy: 1.8725076837351804
Energy: 1.7929497684426834
Energy: 1.7928419483990212
Energy: 1.789352564203904
Energy: 2.1300383548202464
Energy: 1.7928722106771273
Energy: 1.7930108870403825
Energy: 1.7906994670628773
Energy: 1.7893515761959853
Energy: 2.0994472402207616
Energy: 1.792561744471421
Energy: 1.7913340933839135
Energy: 1.7965119756408767
Energy: 1.8920176569870557
Energy: 2.102673936353322
Energy: 1.9197315455301789
Energy: 1.7908492634115376
Energy: 1.7999080654846444
Energy: 1.8937761382596592
Energy: 2.099228061322808
Energy: 1.792448917866507
Energy: 1.792694695943403
Energy: 1.9198417054236343
Energy: 2.261558309171526
Energy: 1.7907834894305958
Energy: 1.7944311152664214
Energy: 2.1602956699654015
Energy: 1.9192927170179053
Energy: 2.032914957542933
Energy: 1.790810849648266
Energy: 1.9104373081965915

minimum gb energy = 1.788169177474978 eV
minimum distance =  2.3021070255321 Angstroms
sigma value = 33