Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.859877958893776
cohesive_energy=4.349013510620066
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=[0.0, 0.0, 1.097032771772676e-19, 2.66517276535998e-19, 3.6419077067454e-19, 4.0453197614202596e-19, 4.3000017591609e-19, 4.610439503764739e-19, 4.96775693667942e-19, 5.33039359601898e-19, 5.66827662636324e-19, 5.963926280635259e-19, 6.209507915094779e-19, 6.40354752723852e-19, 6.54824009905506e-19, 6.648984965800979e-19, 6.72872529687516e-19, 6.79556810604564e-19, 6.85036254692844e-19, 6.893877664307879e-19, 6.926770350603899e-19, 6.949617389404739e-19, 6.9629795425323e-19, 6.96733746297678e-19, 6.962659107205499e-19, 6.947502516247859e-19, 6.91997712167574e-19, 6.87787191973422e-19, 6.81847923191184e-19, 6.738594704940599e-19, 6.63435709313256e-19, 6.5010239536510795e-19, 6.332859494146439e-19, 6.12284618096172e-19, 5.862236129675279e-19, 5.5401665827086e-19, 5.14301903867268e-19, 4.65350601168666e-19, 4.04954950773402e-19, 3.29364257181282e-19, 2.29192969670334e-19, 9.817801956058859e-20, -6.91887161979828e-20, -2.7977849253561597e-19, -5.43363785831394e-19, -8.7355476615582e-19, -1.30416376919283e-18, -1.9085929152525e-18, -2.8074941157581997e-18, -4.12618161613824e-18, -6.047175378537899e-18, -9.180984809342878e-18, -1.524121792744788e-17, -2.99872991879244e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015159623335905094
Energy: 0.015634979222219306
Energy: 0.07648029131610695
Energy: 0.0763412916709066
Energy: 0.1084696134372274
Energy: 0.07536649239966009
Energy: 0.10814120263250972
Energy: 0.07560926143903982
Energy: 0.07741358073064031
Energy: 0.018676650374039972
Energy: 0.015342657881824633
Energy: 0.07517101638716754
Energy: 0.10718605089425293
Energy: 0.01634980810980727
Energy: 0.016830754057041306
Energy: 0.07536974130451463
Energy: 0.07521811299144873
Energy: 0.1060587238629685
Energy: 0.07531832670381336
Energy: 0.10759669584616834
Energy: 0.07574593134468918
Energy: 0.07517050705967343
Energy: 0.10599754209417407
Energy: 0.015574294035998448
Energy: 0.07630247975236738
Energy: 0.46592082226634707
Energy: 0.017886971104636055
Energy: 0.0155513986266756
Energy: 0.10615261862496954
Energy: 0.07637654007474806
Energy: 0.01722858112603516
Energy: 0.10793982359641588
Energy: 0.07533547720722415
Energy: 0.07577963097016817
Energy: 0.07544400029084228
Energy: 0.10777630092647598
Energy: 0.016572097514045928
Energy: 0.01575976489117513
Energy: 0.07590330693733958
Energy: 0.015470875667404505
Energy: 0.01786143420235721
Energy: 0.07725120518176239
Energy: 0.07542824904836316
Energy: 0.01652859568990754
Energy: 0.015390968152383225
Energy: 0.07525648896136117
Energy: 0.07738214100470088
Energy: 0.07661223713026032
Energy: 0.0751744088575819
Energy: 0.015293555751393349
Energy: 0.07576012463184784
Energy: 0.07793113460780565
Energy: 0.10769698765939181
Energy: 0.015974770811500772
Energy: 0.015387133117556745
Energy: 0.46487465793224486
Energy: 0.016380074808847258
Energy: 0.017575453571638013
Energy: 0.10653058714253899
Energy: 0.07529671236537663
Energy: 0.015512262223694858
Energy: 0.10654545062578474
Energy: 0.07526486491956091
Energy: 0.10612605496963162
Energy: 0.07555743782769254
Energy: 0.46452282536247086
Energy: 0.01586669393550409
Energy: 0.017331485545087583
Energy: 0.46498073768450887
Energy: 0.07583175162261278

minimum gb energy = 0.015159623335905094 eV
minimum distance =  2.47602280116282 Angstroms
sigma value = 3


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

Energy: 1.8554223769904903
Energy: 1.5163343504591844
Energy: 1.519393488878025
Energy: 1.4754783403111975
Energy: 1.4664515176396842
Energy: 1.4612792676029671
Energy: 1.472191980826253
Energy: 1.5346935253964467
Energy: 1.5267475734513378
Energy: 1.609152325250687
Energy: 1.5599395995346572
Energy: 1.4926877800224028
Energy: 1.5088331823034649
Energy: 1.588152227403906
Energy: 1.4968808044164117
Energy: 1.4481356943701607
Energy: 1.4635061619322745
Energy: 1.4538063717976653
Energy: 1.4459577543450604
Energy: 1.4742982815739991
Energy: 1.5170671592464724
Energy: 1.3855541396438966
Energy: 1.444355386346441
Energy: 1.496100355998696
Energy: 1.5252572388347858
Energy: 1.484257781775866
Energy: 1.472474788715812
Energy: 1.4263073412239577
Energy: 1.4485532142894229
Energy: 1.5982547987315832
Energy: 1.7525382198182726
Energy: 1.466451800781598
Energy: 1.59342198168329
Energy: 1.6585702424303526
Energy: 1.3851930938769608
Energy: 1.4690243051432714
Energy: 1.4670616035672168
Energy: 1.4920485227009124
Energy: 1.4652672345994704
Energy: 1.712216346975088
Energy: 1.5499528532964502
Energy: 1.6139752270451915
Energy: 1.7215431613808676
Energy: 1.5495516217069922
Energy: 1.4415877967729178
Energy: 1.4659681483688882
Energy: 1.514004045052265
Energy: 1.4755675840579228
Energy: 1.4434976616964177
Energy: 1.4607251840612412
Energy: 1.442818316066244
Energy: 1.4590953164596185
Energy: 1.428256461359005
Energy: 1.4426290587043797
Energy: 1.6784766548171193
Energy: 1.4722045506445811
Energy: 1.6038812212755125
Energy: 1.363004426340982
Energy: 1.4310715359367787
Energy: 1.3908370191188015
Energy: 1.4945120290930585
Energy: 1.450876832620161
Energy: 1.373461191936177
Energy: 1.3660897952789142
Energy: 1.5039725858913362
Energy: 1.379081453551998
Energy: 1.4131019918830487
Energy: 1.5896748697545333
Energy: 1.4860523845526559
Energy: 1.498665849752708
Energy: 1.5159007663740802
Energy: 1.516227825480023
Energy: 1.4457657694392565
Energy: 1.4461582190606614
Energy: 1.4847547106749153
Energy: 1.3452750384697991
Energy: 1.3671937846372109
Energy: 1.5632225155442396
Energy: 1.4598354279239962
Energy: 1.3621822934630965
Energy: 1.4032347545938244
Energy: 1.5613436067562274
Energy: 1.3605388584690274
Energy: 1.3464156774245553
Energy: 1.3923933398757282
Energy: 1.4831272824990513
Energy: 1.4359143407121793
Energy: 1.5343981599608443
Energy: 1.519718470033039
Energy: 1.3567988718216553
Energy: 1.496278761290068
Energy: 1.6167402462529636
Energy: 1.3807805839579688
Energy: 1.384555260811809
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Energy: 1.4034401168300215
Energy: 1.4524378217019085
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Energy: 1.356550995256534
Energy: 1.484018968118688
Energy: 1.4719598261029783
Energy: 1.3794334501151169
Energy: 1.5929646753930122
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Energy: 1.692045198972195
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Energy: 1.382116570597716
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Energy: 1.5382233066849849
Energy: 1.4392433993466045
Energy: 1.6451327014893982
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Energy: 1.4696360854090522
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Energy: 1.4911827856505238
Energy: 1.4473728959138628
Energy: 1.5400627403901328
Energy: 1.5894350983484495
Energy: 1.5110529806919073
Energy: 1.540944810834312
Energy: 1.4362071821313822
Energy: 1.4372616148770867
Energy: 1.6024850127461852
Energy: 1.5079960166542825
Energy: 1.4582539987709522
Energy: 1.3893027080330922
Energy: 1.6981261500830356
Energy: 1.4633654213598766
Energy: 1.4381026143537918
Energy: 1.4801822761598975
Energy: 1.4939570546739727
Energy: 1.4831289726944727
Energy: 1.4732259477103273
Energy: 1.4800765785664487
Energy: 1.4761399856179471
Energy: 1.4090976274571727
Energy: 1.4663781739023887
Energy: 1.4525381660286185
Energy: 1.4767041868835789
Energy: 1.4682589875705179
Energy: 1.4986362930479693
Energy: 1.4883390688675755
Energy: 1.572748473218467
Energy: 1.41003675580716
Energy: 1.4454669499824981
Energy: 1.557704092425934
Energy: 1.5026748091547282
Energy: 1.5006130728499043
Energy: 1.4756220937189097
Energy: 1.4270419314079545
Energy: 1.4381570981774885
Energy: 1.5014295167839098
Energy: 1.6893085127772636
Energy: 1.4238654005830071
Energy: 1.4192199507927201
Energy: 1.50189058271157
Energy: 1.5058622840024003
Energy: 1.4474052464126448
Energy: 1.4281116337938415
Energy: 1.6462263668281243
Energy: 1.64330241929729
Energy: 1.630765315717399
Energy: 1.4689669791183693
Energy: 1.4469535121826838
Energy: 1.524857135143707
Energy: 1.5975126387987981
Energy: 1.3898900388988136
Energy: 1.4747339418783976
Energy: 1.4526073086107536
Energy: 1.480204363742193
Energy: 1.4268866170427443
Energy: 1.4400078538319727
Energy: 1.6868970593129564
Energy: 1.767679103334484
Energy: 1.7276276061108038
Energy: 1.5396224959788858
Energy: 1.4448241868589642
Energy: 1.4833663982607397
Energy: 1.571432046116583
Energy: 1.4153286882300151
Energy: 1.4258511169192545
Energy: 1.3959890453059363
Energy: 1.5506040143574786
Energy: 1.4552410983180855
Energy: 1.464659592686585
Energy: 1.4138874601913376
Energy: 1.4651668438487815
Energy: 1.373850724122905
Energy: 1.4089127038733908
Energy: 1.59155480525254
Energy: 1.3792840507177038
Energy: 1.4753206507809775
Energy: 1.496344278528173
Energy: 1.456400863525915
Energy: 1.3644560114543616
Energy: 1.3522431592271962
Energy: 1.4987971590971099
Energy: 1.4982009802643186
Energy: 1.347894960595468
Energy: 1.5589640901199358
Energy: 1.622785200498785
Energy: 1.3554201730510111
Energy: 1.5094749039831752
Energy: 1.3701024872980603
Energy: 1.4603102856586385
Energy: 1.4364447869074315
Energy: 1.485028618814305
Energy: 1.470909685557114
Energy: 1.426452320072637
Energy: 1.5447593362354135
Energy: 1.5577671287753467
Energy: 1.3689367972500788
Energy: 1.40802892071823
Energy: 1.5652606680743604
Energy: 1.3653192455704235
Energy: 1.4523574493296287
Energy: 1.3375376994241743
Energy: 1.4333476636745057
Energy: 1.4471148273493195
Energy: 1.404290726664221
Energy: 1.3480985418274272
Energy: 1.4957557987945824
Energy: 1.631142769269001
Energy: 1.6404084635294323
Energy: 1.3627201054848632
Energy: 1.3498968790574848
Energy: 1.4799068646627698
Energy: 1.364979426855552
Energy: 1.3587876102332777
Energy: 1.4585707545582924
Energy: 1.451743221356499
Energy: 1.467378728280879
Energy: 1.4551278686205882
Energy: 1.3767203028265984
Energy: 1.588531612686828
Energy: 1.3766595386985703
Energy: 1.6971106359256614
Energy: 1.6455633020638671
Energy: 1.4258224955014525
Energy: 1.4407310526384476
Energy: 1.4819036695102827
Energy: 1.3953285935419653
Energy: 1.4348802580483557
Energy: 1.4318748738052685
Energy: 1.4872246656473849
Energy: 1.44877684055031
Energy: 1.4624940380528075
Energy: 1.5753892347554872
Energy: 1.6384817074191784
Energy: 1.6037636025288267
Energy: 1.4274350159683118
Energy: 1.5141505822052055
Energy: 1.471770336309087
Energy: 1.5056513789661226
Energy: 1.467852876195966
Energy: 1.4549188976624317
Energy: 1.3991465182224974
Energy: 1.5302385786468224
Energy: 1.4746972106459113
Energy: 1.4346886280729787
Energy: 1.480246888240333
Energy: 1.6686794111705083
Energy: 1.5735585398177037
Energy: 1.6399916408130577
Energy: 1.5123580160294556
Energy: 1.5025872737098993
Energy: 1.4003168838725946
Energy: 1.570600834715293
Energy: 1.5037391009874432
Energy: 1.4638669177991468
Energy: 1.4669188482471633
Energy: 1.4947553185610247
Energy: 1.447700796284253
Energy: 1.47111989093688
Energy: 1.5845426036996864
Energy: 1.4676385565097119
Energy: 1.7201366212233553

minimum gb energy = 1.3375376994241743 eV
minimum distance =  2.22398093375454 Angstroms
sigma value = 75


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

Energy: 1.9090499713185778
Energy: 1.5555055416080124
Energy: 1.6312401350165504
Energy: 1.6193315783289008
Energy: 1.6547587768676553
Energy: 1.7589416200073362
Energy: 1.4432619235553543
Energy: 1.6186565703333045
Energy: 1.6486484845010572
Energy: 1.5356716034602003
Energy: 1.7089724215132527
Energy: 1.5343325743890361
Energy: 1.7195610326908042
Energy: 1.8056368699213847
Energy: 1.466414977500683
Energy: 1.6504784985554364
Energy: 1.7407085590020452
Energy: 1.4897378271537567
Energy: 1.5563685684235404
Energy: 1.647343312361741
Energy: 1.7365670272153635
Energy: 1.535911900696176
Energy: 1.6596316637299253
Energy: 1.4699096392314008
Energy: 1.7331543926880384
Energy: 1.6043332512843538
Energy: 1.6585454523600853
Energy: 1.6052521332175085
Energy: 1.592286163743526
Energy: 1.5962949856476973
Energy: 1.5961478363927033
Energy: 1.591782273396942
Energy: 1.5953057775318629
Energy: 1.5970423783378103
Energy: 1.476370134148439
Energy: 1.572479510965973
Energy: 1.445488329899765
Energy: 1.778344196157393
Energy: 1.7664363328071082
Energy: 1.6694376174402128
Energy: 1.5756842446999857
Energy: 1.6256385780454778
Energy: 1.5988562333995984
Energy: 1.5890477109773822
Energy: 1.4785881965334369
Energy: 1.4648274928777216
Energy: 1.4638824000556854
Energy: 1.5262495174281652
Energy: 1.5625695011131804
Energy: 1.578163935139747
Energy: 1.4606901552830722
Energy: 1.737336071502415
Energy: 1.4659303628789997
Energy: 1.4484707552842726
Energy: 1.5055849733009161
Energy: 1.4615153169488986
Energy: 1.5183300035070577
Energy: 1.5044266883383695
Energy: 1.5319484423108904
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Energy: 1.47656874824056
Energy: 1.5946649533672836
Energy: 1.5083474798508933
Energy: 1.5266805762328302
Energy: 1.5981242499670998
Energy: 1.46477054622348
Energy: 1.4391358555707492
Energy: 1.5402234483098884
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Energy: 1.6089639549673607
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Energy: 1.5519146911891493
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Energy: 1.5751180286894133
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Energy: 1.538754394041249
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Energy: 1.722109343922889
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Energy: 1.8493664377352972
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Energy: 1.5593554059535726
Energy: 1.5679119889147022
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Energy: 1.686914322480787
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Energy: 1.721370830087536
Energy: 2.1013469610427573
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Energy: 1.5081302225570885
Energy: 1.506332827739244
Energy: 1.4616207865566122
Energy: 1.829912405825117
Energy: 1.8044015513048501
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Energy: 1.7641770897746116
Energy: 1.4765251989702741
Energy: 1.54873780551232
Energy: 1.5796651548609115
Energy: 1.5115726101732587
Energy: 1.5427678896967412
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Energy: 1.919391152196791
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Energy: 1.575247364109013
Energy: 1.608594378652254
Energy: 1.5969132878081143
Energy: 1.6120634877564222
Energy: 1.697652385983959
Energy: 1.473147467123681
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Energy: 1.5396768895856225
Energy: 1.7820028536967074
Energy: 1.5081463603275336
Energy: 1.4299898790139902
Energy: 1.6375652699915602
Energy: 1.6301322213584197
Energy: 1.4890208180354414
Energy: 1.4680470612914531
Energy: 1.4797896133246562
Energy: 1.4816515798909815
Energy: 1.4914924216087824
Energy: 1.5205107422219886
Energy: 1.5084796092486321
Energy: 1.4658576749519168
Energy: 1.5764349242845694
Energy: 1.57480875926472
Energy: 1.480337257979485
Energy: 1.5976275501546124
Energy: 1.5200179339067954
Energy: 1.4744107888150677
Energy: 1.520076378672881
Energy: 1.468996865002417
Energy: 1.5088922809697334
Energy: 1.4869827829429352
Energy: 1.508635425691168
Energy: 1.551669021192409
Energy: 1.5171471418018432
Energy: 1.6528792791692266
Energy: 1.648191001773023
Energy: 1.444175940603111
Energy: 1.4557008800500162
Energy: 1.528684438967822
Energy: 1.5215204158667992
Energy: 1.456432657206203
Energy: 1.4778159427683208
Energy: 1.5099635248894454
Energy: 1.5865741290356479
Energy: 1.5220764659794757
Energy: 1.560028044954963
Energy: 1.5792014405176193
Energy: 1.5499487282409954
Energy: 1.6793030872514763
Energy: 1.7403744626356366
Energy: 1.581916975313217
Energy: 1.6987482548092876
Energy: 1.636897096781425
Energy: 1.5571999321305678
Energy: 1.5240020334110413
Energy: 1.5005116982873332
Energy: 1.565072563185298
Energy: 1.7070282859333386
Energy: 1.8450609712389285
Energy: 1.6341815473871433
Energy: 1.7143441931787862
Energy: 2.102867463165512
Energy: 1.7206227202860451
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minimum gb energy = 1.4194855222304161 eV
minimum distance =  2.20617936118 Angstroms
sigma value = 105


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

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Energy: 1.5529777209563118
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Energy: 1.5168246432762913
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Energy: 1.6535122776959572
Energy: 1.62957075895848
Energy: 1.612364650755119
Energy: 1.7098668726230615
Energy: 1.6126025645979196
Energy: 1.5219358958858937
Energy: 1.6987893205590656
Energy: 1.6650916964672127
Energy: 1.6612462385876627
Energy: 1.5841514149581133
Energy: 1.599459813790651
Energy: 1.5298088802883159
Energy: 1.4653937635131848
Energy: 1.4523076131297439
Energy: 1.4508086555279247
Energy: 1.500278161771549
Energy: 1.5230018962183827
Energy: 1.5162503045203441
Energy: 1.6071251022006334
Energy: 1.5890556785371646
Energy: 1.4872077183414092
Energy: 1.5280540263406597
Energy: 1.4993718253917598
Energy: 1.4824155261830907
Energy: 1.5006144947407236
Energy: 1.5268645063918675
Energy: 1.6004069141774535
Energy: 1.4882670523444865
Energy: 1.585850521900735
Energy: 1.5025069650612264
Energy: 1.48352987421932
Energy: 1.5300927762176055
Energy: 1.505064854756966
Energy: 1.5283393634865599
Energy: 1.4606061522854443
Energy: 1.4958371209284587
Energy: 1.5324976099905498
Energy: 1.5757024861724689
Energy: 1.5564794958258488
Energy: 1.5146914731182517
Energy: 1.6185768260687572
Energy: 1.73237701014361
Energy: 1.6666360298619418
Energy: 1.4665735830121294
Energy: 1.4316060054924935
Energy: 1.4828626517321912
Energy: 1.5965558405447018
Energy: 1.5823348215054562
Energy: 1.5803915204167507
Energy: 1.6076550233314513
Energy: 1.5561815461512716
Energy: 1.8227101723159294
Energy: 1.7330149631773002
Energy: 1.6188557140342263
Energy: 1.7180014763638516
Energy: 1.4603534742222735
Energy: 1.732000149578794
Energy: 1.5269124469168722
Energy: 1.515864254341131
Energy: 1.60756588098389
Energy: 1.6047250495676197
Energy: 1.7791928095231055
Energy: 1.4401500233946565
Energy: 1.7116713168369164
Energy: 1.681204282590506
Energy: 1.6717945685824371

minimum gb energy = 1.3622762038778413 eV
minimum distance =  2.22337726373529 Angstroms
sigma value = 165


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

Energy: 1.6609386301543247
Energy: 1.3553694227952835
Energy: 1.7112100689193033
Energy: 1.4383497361790096
Energy: 1.4736400709830897
Energy: 1.4010310428381316
Energy: 1.4055454867569839
Energy: 1.4843940020968907
Energy: 1.6748818411212436
Energy: 1.4397901261611494
Energy: 1.5136725923942052
Energy: 1.593633254414749
Energy: 1.6558990909619857
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Energy: 1.593751654863291
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Energy: 1.4835774002897955
Energy: 1.6107578037168928
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Energy: 1.6234027879691484
Energy: 1.484920034452033
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Energy: 1.9872278511990475
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Energy: 1.7396904554429315
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Energy: 1.4002386971302032
Energy: 1.444485949052001
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Energy: 1.4037719273315508
Energy: 1.7450883994998385
Energy: 1.410408640666933
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Energy: 1.709672295113161
Energy: 1.4222387581506173
Energy: 1.4726527440669734
Energy: 1.4644154350317649
Energy: 1.3933822932891666
Energy: 1.4120394335830364
Energy: 1.4024965283602853
Energy: 1.4479785874653655
Energy: 1.6784526673629396
Energy: 1.6055043994482536
Energy: 1.508415492259422
Energy: 1.4710766276232554
Energy: 1.4560673895719298
Energy: 1.414075976614271
Energy: 1.3992973844814296
Energy: 1.423058266314894
Energy: 1.402694395066107
Energy: 1.4684012328774902
Energy: 1.4710256793360263
Energy: 1.4480989900416616
Energy: 1.4425224532719756
Energy: 1.502992431324216
Energy: 1.4692871976039075
Energy: 1.3961870656127777
Energy: 1.401324830879552
Energy: 1.4653544612215308
Energy: 1.5163398680529105
Energy: 1.4516054125566724
Energy: 1.3960403017313356
Energy: 1.506416128540912
Energy: 1.5569985907428479
Energy: 1.7391575229075453
Energy: 1.4060723891181874
Energy: 1.400376142772202
Energy: 1.399551120596455
Energy: 1.508156349704895
Energy: 1.4969295917313996
Energy: 1.4275263859623282
Energy: 1.4435300488281309
Energy: 1.510723086737353
Energy: 1.4757956226311777
Energy: 1.5236174088630008
Energy: 1.52478400813546
Energy: 1.6046643041470512
Energy: 1.6786710591743035

minimum gb energy = 1.3553694227952835 eV
minimum distance =  2.22307289801317 Angstroms
sigma value = 41


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

Energy: 1.3922689890964446
Energy: 1.5230904947360147
Energy: 1.6484603957221373
Energy: 1.4833335634215399
Energy: 1.3752632273745702
Energy: 1.867372067767818
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Energy: 1.3333769564267672
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Energy: 1.5522287687703564
Energy: 1.4165041804625675
Energy: 1.6967677498236196
Energy: 1.5001659595905237
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Energy: 1.812120148304506
Energy: 1.6084000517454355
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Energy: 1.5029063982900852
Energy: 1.353553185006046
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Energy: 1.516465993986804
Energy: 1.6356027893802194
Energy: 1.7357124679311713
Energy: 1.418421601402986
Energy: 1.89055104649661
Energy: 1.4918410979375771
Energy: 1.5665922301779927
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Energy: 1.3887874069927788
Energy: 1.5153458227059007
Energy: 1.516307092682791
Energy: 1.3193600191740014
Energy: 1.512641498921756
Energy: 1.5664254572826772
Energy: 1.4960964395743825
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Energy: 1.389316234896563
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Energy: 1.3320385878348848
Energy: 1.2922996131329378
Energy: 1.5440842463067992
Energy: 1.4657299091174538
Energy: 1.488831117974374
Energy: 1.4845458504585214
Energy: 1.516464086971199
Energy: 1.3863527522649903
Energy: 1.395730606792113
Energy: 1.3809195256133586
Energy: 1.3040997193543107
Energy: 1.2913733433707777
Energy: 1.5831564232585849
Energy: 1.478851575122703
Energy: 1.4211214106426802
Energy: 1.5158252835586785
Energy: 1.4958741835766536
Energy: 1.5228910572159986
Energy: 1.3555918568833092
Energy: 1.2571080753671542
Energy: 1.289156387955416
Energy: 1.4860846892900814
Energy: 1.5744286109765835
Energy: 1.6428741193459226
Energy: 1.5529985478676889
Energy: 1.4269663326596314
Energy: 1.5172997043985006
Energy: 1.363082652183478
Energy: 1.634980780645651
Energy: 1.25803294306951
Energy: 1.2858926489050728
Energy: 1.497314592958957
Energy: 1.7509031326792868
Energy: 1.6721702208735651
Energy: 1.6333253866575108
Energy: 1.4996165333746072
Energy: 1.5277478751791107
Energy: 1.5230406222713566
Energy: 1.2579345080786428
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Energy: 1.3643850849516923
Energy: 1.8197399896113868
Energy: 1.5117389894828361
Energy: 1.5085304112379485
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Energy: 1.3810769015985211
Energy: 1.2871500788002557
Energy: 1.2592234871485959
Energy: 1.5610646000750297
Energy: 1.6648400153434837
Energy: 1.3314780076847623
Energy: 1.4937488823074043
Energy: 1.4541000706300269
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Energy: 1.506170957653814
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Energy: 1.6978564946174
Energy: 1.3967104946994973
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Energy: 1.6319080561854713
Energy: 1.4630075373556848
Energy: 1.436516246425196
Energy: 1.428845215785451
Energy: 1.466009084825836
Energy: 1.4500603073089884
Energy: 1.5393440201716877
Energy: 1.564332357273767
Energy: 1.3964513881379277
Energy: 1.3969687506736874
Energy: 1.426015713643469
Energy: 1.4104429920026358
Energy: 1.3001290344900593
Energy: 1.309582318156623
Energy: 1.4649804330539147
Energy: 1.6260077987137607
Energy: 1.4379011315344274
Energy: 1.5456289827301781
Energy: 1.5699135876394568
Energy: 1.4316379778592745
Energy: 1.3932895074670384
Energy: 1.3006089778866199
Energy: 1.2948299121567661
Energy: 1.2685644198973773
Energy: 1.4101820854049962
Energy: 1.4617315764170598
Energy: 1.4597090670600918
Energy: 1.4667753843515436
Energy: 1.6401019541690465
Energy: 1.455637317808545
Energy: 1.339159292062776
Energy: 1.2602416343461202
Energy: 1.458930257895783
Energy: 1.5780486443214272
Energy: 1.3804995499350647
Energy: 1.7169915056105463
Energy: 1.5729996923165812
Energy: 1.7958111900043379
Energy: 1.4211178204210977
Energy: 1.7600343965893057
Energy: 1.5805961208221078
Energy: 1.5446661805953759
Energy: 1.4525669717954564
Energy: 1.5645802558004616
Energy: 1.3301663544232571
Energy: 1.5629943944152143
Energy: 1.5444240586371947
Energy: 1.6374799170157714
Energy: 1.5416562310657975
Energy: 1.2605993824658703
Energy: 1.3628006492639158
Energy: 1.3572516986765397
Energy: 1.6802441429689479
Energy: 1.3728449230703295
Energy: 1.434174012334847
Energy: 1.3643339145632334
Energy: 1.4279172771605104
Energy: 1.5412640075283313
Energy: 1.3091544227027048
Energy: 1.259666078307363
Energy: 1.3901299849878077
Energy: 1.556632800180167
Energy: 1.3900932191942192
Energy: 1.3841056928093167
Energy: 1.359309053699374
Energy: 1.4848131769344135
Energy: 1.4871096978753846
Energy: 1.6442526213080184
Energy: 1.4278684687865995
Energy: 1.3687902409176878
Energy: 1.3758802429931298
Energy: 1.3740217507563133
Energy: 1.379926808158735
Energy: 1.3657149575765297
Energy: 1.356044858678951
Energy: 1.3596465729761433
Energy: 1.4941755562689787
Energy: 1.6220693235879857
Energy: 1.5374770333083054
Energy: 1.5210644441407721
Energy: 1.591028480919818
Energy: 1.3673368058850253
Energy: 1.3845541192895352
Energy: 1.3566542470213303
Energy: 1.3524826126501104
Energy: 1.4818450022310876
Energy: 1.3595422969550408
Energy: 1.5556476167069122
Energy: 1.5174538833680045
Energy: 1.5512983448046203
Energy: 1.372467808243781
Energy: 1.3722529804429138
Energy: 1.3252211503870874
Energy: 1.359200070331291
Energy: 1.5050603207252222
Energy: 1.4751945143812415
Energy: 1.6591335808584748
Energy: 1.5702195891904904
Energy: 1.5621909852710043
Energy: 1.5200364296870859
Energy: 1.8924231419805104
Energy: 1.4250615232041872

minimum gb energy = 1.2571080753671542 eV
minimum distance =  2.24576592692176 Angstroms
sigma value = 185


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

Energy: 2.9693990832777155
Energy: 1.8840997732218896
Energy: 1.6263597116190358
Energy: 1.4749909090264794
Energy: 1.4779395244648432
Energy: 1.6660733763779807
Energy: 1.6546683554286825
Energy: 1.5761172759694797
Energy: 1.575357147921316
Energy: 1.8874777548294246
Energy: 1.5214352984624027
Energy: 1.8093300759308009
Energy: 1.571944495278259
Energy: 1.7539717872354073
Energy: 1.7993645320905847
Energy: 1.4529966150868456
Energy: 1.6088258506958397
Energy: 1.6440011961153889
Energy: 1.6314502819171506
Energy: 1.5357745615827119
Energy: 1.516202641506412
Energy: 1.4713466968214899
Energy: 1.5221830087884625
Energy: 1.4723274033805265
Energy: 1.7357148189856073
Energy: 1.4756817394141353
Energy: 1.5982279249964257
Energy: 1.6908972431844962
Energy: 1.3525453474832796
Energy: 1.3848953310569878
Energy: 1.4941814122001593
Energy: 1.3803725233730233
Energy: 1.4821391193837643
Energy: 1.4667000446180776
Energy: 1.5090492631647556
Energy: 1.740097933916184
Energy: 1.6525584944978238
Energy: 1.5753251171885165
Energy: 1.3573051244441345
Energy: 1.3954770066512443
Energy: 1.516336250947023
Energy: 1.467917994008587
Energy: 1.386003195174601
Energy: 1.4412753113197319
Energy: 1.4538842591826533
Energy: 1.7283474297368804
Energy: 1.5379729827987154
Energy: 1.6398785238194502
Energy: 1.5553741195340514
Energy: 1.5516140326188783
Energy: 1.6588079548551227
Energy: 1.5449273499471088
Energy: 1.5213770957517563
Energy: 1.5545116004334598
Energy: 1.5628786968626243
Energy: 1.5706008213686984
Energy: 1.4149776205534748
Energy: 1.900172718616346
Energy: 1.5559051566792381
Energy: 1.5572097494977313
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Energy: 1.7995148490007198
Energy: 1.725093689711261
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Energy: 1.6954014717977455
Energy: 1.718238726160876
Energy: 1.557240495630505
Energy: 1.5825208226472525
Energy: 1.5023677531542294
Energy: 1.6835481534196344
Energy: 1.4931466127243527
Energy: 1.737473947372981
Energy: 1.7881560273268964
Energy: 1.6654969560008253
Energy: 1.676815233021019
Energy: 1.742844504962152
Energy: 1.3479601378857755
Energy: 1.5560579148363725
Energy: 1.577908789846883
Energy: 1.4871019824029916
Energy: 1.4895290537819943
Energy: 1.5414987374512819
Energy: 1.7134208362670775
Energy: 1.6754328767889437
Energy: 1.6698915259979872
Energy: 1.70960311274472
Energy: 1.3744770582490489
Energy: 1.417931877511318
Energy: 1.414620323447031
Energy: 1.4892633306335001
Energy: 1.355878201391654
Energy: 1.522357658162603
Energy: 1.6179041628916804
Energy: 1.708909252150384
Energy: 1.6749380883124512
Energy: 1.5492979179534063
Energy: 1.4136550682951556
Energy: 1.386658605771561
Energy: 1.3973757963254125
Energy: 1.4937388025262983
Energy: 1.5230782266838956
Energy: 1.4924066811319165
Energy: 1.4874433553984983
Energy: 1.486884087839359
Energy: 1.532410128989744
Energy: 1.560821186132046
Energy: 1.555203434273424
Energy: 1.6084508037535012
Energy: 1.49902121474173
Energy: 1.536706205990787
Energy: 1.498286310120729
Energy: 1.7141389364099566
Energy: 1.6745817164364378
Energy: 1.5761933752241435
Energy: 1.5639398345277185
Energy: 1.5571203329009657
Energy: 1.8724747061103773
Energy: 1.547094661023757
Energy: 1.4604720082319855
Energy: 1.7123662364199845
Energy: 1.8206114692628945
Energy: 1.4848931808855992
Energy: 1.6518810792900946
Energy: 1.6613025942361035
Energy: 1.8382771370979532
Energy: 1.617722639167898
Energy: 1.5935615884502703
Energy: 1.7446685483831421
Energy: 1.4572596037459118
Energy: 1.529952474430514
Energy: 1.7167925098834134
Energy: 1.6042022959078497
Energy: 1.6508908659140067
Energy: 1.6716101084608523
Energy: 1.3400719755162622
Energy: 1.371102036310413
Energy: 1.571988182713355
Energy: 1.5145457165937655
Energy: 1.5156081833726056
Energy: 1.557591841119804
Energy: 1.6035887756540845
Energy: 1.6755588598805282
Energy: 1.7253278301033341
Energy: 1.75096083571084
Energy: 1.4166988655781163
Energy: 1.38298998585998
Energy: 1.4072423253434985
Energy: 1.5006113187912862
Energy: 1.4902979803328547
Energy: 1.4473381646970387
Energy: 1.4872034285016504
Energy: 1.590625453523994
Energy: 1.37792246458996
Energy: 1.853583521936114
Energy: 1.5653082310005961
Energy: 1.5614072683062374
Energy: 1.4796181454286752
Energy: 1.4989534926423105
Energy: 1.382603558570518
Energy: 1.5995230044437745
Energy: 1.5952361405296003
Energy: 1.5332370916101994
Energy: 1.4498557428683303
Energy: 1.8863278346110928
Energy: 1.5649400763490076
Energy: 1.7201641856969518
Energy: 1.7088942640795135
Energy: 1.5002735766399038
Energy: 1.5475801381792509
Energy: 1.6916952883079817
Energy: 1.7063270653576368
Energy: 1.6752542185743984
Energy: 1.673482458285914
Energy: 1.5617034923416564
Energy: 1.565386214360175
Energy: 1.4632937868532196
Energy: 1.7725839336188536
Energy: 1.7016879445180777
Energy: 1.45987933285287
Energy: 1.4513345872223153
Energy: 1.6996775485395075
Energy: 1.6622832227002602
Energy: 1.3431880153938163
Energy: 1.3888581091967376
Energy: 1.5472583390602677
Energy: 1.664571253999445
Energy: 1.5625825136908742
Energy: 1.8173712419454766
Energy: 1.41228956077241
Energy: 1.7127166523766202
Energy: 1.6726022972394643
Energy: 1.656423158014298
Energy: 1.3675424792702922
Energy: 1.3779722217911288
Energy: 1.541311056508462
Energy: 1.3568910435937425
Energy: 1.4816067338794492
Energy: 1.5633091500871408
Energy: 1.5998908138897368
Energy: 1.5799802053877623
Energy: 1.601853178339879
Energy: 1.6941381358873653
Energy: 1.583009351921506
Energy: 1.553401704424867
Energy: 1.3653321028764926
Energy: 1.4826173833707064
Energy: 1.4616979323650443
Energy: 1.5114457600872067
Energy: 1.4608888178377126
Energy: 1.727108302808227
Energy: 1.5292492639875286
Energy: 1.8532781055589265
Energy: 1.558965258047448
Energy: 1.5579756893328849
Energy: 1.6157466819369553
Energy: 1.5309216056438928
Energy: 1.5121358088994898
Energy: 1.560874816371109
Energy: 1.4573074676720046
Energy: 1.6830484677796873
Energy: 1.5870139926342397
Energy: 1.9004689359736728
Energy: 1.5288451941078607
Energy: 1.8710916627701715
Energy: 1.8680225700334714
Energy: 1.462356737075305
Energy: 1.5666912758223006
Energy: 1.7346927031973376
Energy: 1.7141253133556402
Energy: 1.6600486968707309
Energy: 1.6540464141831583
Energy: 1.5578043150495269
Energy: 1.558873391313706
Energy: 1.6181288037462123
Energy: 1.7323386484611498
Energy: 1.7423867301107085
Energy: 1.4701820129797665
Energy: 1.8178084475169303
Energy: 1.5738673637445963
Energy: 1.6578025798315328
Energy: 1.6959510569934064
Energy: 1.3720049604147029
Energy: 1.429135790044228
Energy: 1.4023854393698887
Energy: 1.5051102087169548
Energy: 1.5244997270239364
Energy: 1.5926874048391522
Energy: 1.7291632071440712
Energy: 1.648433410728869
Energy: 1.6576108332453336
Energy: 1.786730311008401
Energy: 1.4194994589283159
Energy: 1.3833764887312128
Energy: 1.4083726997040973
Energy: 1.4779124482581256
Energy: 1.411304899524421
Energy: 1.5087913565269606
Energy: 1.6067505946078844
Energy: 1.6730099923458277
Energy: 1.4474617737506326
Energy: 1.5462705459793542
Energy: 1.5521046053014826
Energy: 1.5570512098443128
Energy: 1.510320154947933
Energy: 1.4984554256287097
Energy: 1.3767815749420649
Energy: 1.4643863491009894
Energy: 1.4848997451665829
Energy: 1.426562279090875
Energy: 1.4095152116466987
Energy: 1.8995226899301558
Energy: 1.6105150470313532
Energy: 1.678445519399088
Energy: 1.6762566197837878
Energy: 1.5361292112210738
Energy: 1.53372432005679
Energy: 1.5564178468445933
Energy: 1.697389386451361
Energy: 1.4702733124618237
Energy: 1.8525626927402272
Energy: 1.5572844874002165
Energy: 1.5560449521067756
Energy: 1.560560273037076
Energy: 1.459754992293591
Energy: 1.7063455754735073
Energy: 1.456741742262981
Energy: 1.5524530531493845
Energy: 1.6521373670796429
Energy: 1.671687270472045
Energy: 1.3507912390958592
Energy: 1.390419546292712
Energy: 1.5189890394119434
Energy: 1.4874675737413094
Energy: 1.4916518497657085
Energy: 1.573462235867459
Energy: 1.4537708507673393
Energy: 1.6824393614919615
Energy: 1.6857004954655466
Energy: 1.685269822849717
Energy: 1.346094979800961
Energy: 1.39601768175291
Energy: 1.3842065449163108
Energy: 1.4673108176433673
Energy: 1.4517786092167444
Energy: 1.565110944935687
Energy: 1.5610023647728133
Energy: 1.671398390976935
Energy: 1.661173990538052
Energy: 1.7467371755287722
Energy: 1.5193219765292594
Energy: 1.537663628842352
Energy: 1.4515443807432054
Energy: 1.4737918784828505
Energy: 1.4021694342785878
Energy: 1.58728030060053
Energy: 1.4845583375927307
Energy: 1.5483339864557781
Energy: 1.6118299655690542
Energy: 1.8530879463854024
Energy: 1.5214675844459462
Energy: 1.6161578470666074
Energy: 1.6626132358707695
Energy: 1.517269229937161
Energy: 1.4866474924228184
Energy: 1.494738759394261
Energy: 1.5451651204330896
Energy: 1.486443739465847
Energy: 1.917316968678404
Energy: 1.887068811078577

minimum gb energy = 1.3400719755162622 eV
minimum distance =  2.23350700663481 Angstroms
sigma value = 33


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

Energy: 1.8439266160686245
Energy: 1.6932184510872181
Energy: 1.8196898835496376
Energy: 1.4589012759104518
Energy: 1.5193450737195426
Energy: 1.6197137595342013
Energy: 1.6113190088119516
Energy: 1.6609133802836284
Energy: 1.5100936947083605
Energy: 1.6925075691220175
Energy: 1.3822019729958697
Energy: 1.614633399201208
Energy: 1.6666417377494587
Energy: 1.5486613554152875
Energy: 1.5489915490573791
Energy: 1.6392092093601378
Energy: 1.6354720030575194
Energy: 1.5704283194546027
Energy: 1.4253767385186455
Energy: 1.3914999353111182
Energy: 1.378318004600891
Energy: 1.5554706266816376
Energy: 1.59777074057086
Energy: 1.4924567691475332
Energy: 1.7249767815921802
Energy: 1.498475332247384
Energy: 1.3979227651405677
Energy: 1.3967319984491706
Energy: 1.3925421464533005
Energy: 1.4034181792328868
Energy: 1.382734226599288
Energy: 1.3918315716497462
Energy: 1.6906666736852118
Energy: 1.6635141021302504
Energy: 1.4854608716327344
Energy: 1.5306790420765921
Energy: 1.5766522749029637
Energy: 1.6148085990373888
Energy: 1.3773194544817509
Energy: 1.3954093410464572
Energy: 1.3853318061393673
Energy: 1.4828770301355692
Energy: 1.388924853779811
Energy: 1.5495427909774604
Energy: 1.696948067599043
Energy: 1.536181050931217
Energy: 1.734111863472652
Energy: 1.7076082277410485
Energy: 1.3892971218280359
Energy: 1.4010097694730614
Energy: 1.4841178261962846
Energy: 1.5634282342210182
Energy: 1.6211184049804337
Energy: 1.6123161633140413
Energy: 1.5506991772688892
Energy: 1.3578117573186337
Energy: 1.486040479839777
Energy: 1.6231050887476428
Energy: 1.3629000635111763
Energy: 1.7248002646680232
Energy: 1.6253878100276067
Energy: 1.6476279172127348
Energy: 1.7126254781525607
Energy: 1.481969700288149
Energy: 1.5401122378147507
Energy: 1.3704371570181355
Energy: 1.5805173137921287
Energy: 1.558308380880903
Energy: 1.4566021836761633
Energy: 1.6417137220957994
Energy: 1.7820039859440213
Energy: 1.7283096844366157
Energy: 1.6779883416653854
Energy: 1.632480113632282
Energy: 1.385523832962251
Energy: 1.471320535895021
Energy: 1.4568698940534128
Energy: 1.4559197358019211
Energy: 1.4407740657140806
Energy: 1.737033897480238
Energy: 1.7174115434079384
Energy: 1.7942806606796649
Energy: 1.5700729752059521
Energy: 1.3464240584560356
Energy: 1.466919335923433
Energy: 1.382393292326309
Energy: 1.3789253728488249
Energy: 1.3947436704898202
Energy: 1.4760230824001657
Energy: 1.4114528421810477
Energy: 1.4228307651421253
Energy: 1.4872305945871607
Energy: 1.658900589068516
Energy: 1.3369053925509695
Energy: 1.3857859006413582
Energy: 1.7111560155751309
Energy: 1.3933441075132234
Energy: 1.497643960656613
Energy: 1.4887735754692286
Energy: 1.4861379126508965
Energy: 1.6703385315690253
Energy: 1.7563883214918499
Energy: 1.657110692123325
Energy: 1.535179126422768
Energy: 1.705407396891923
Energy: 1.643620793619604
Energy: 1.6217487391287189
Energy: 1.5498383835850056
Energy: 1.6347814036486248
Energy: 1.6098957729240273
Energy: 1.651494100997404
Energy: 1.5761327309170083
Energy: 1.3945006543457275
Energy: 1.362113741692523
Energy: 1.7642143929222711
Energy: 1.6256330391134879
Energy: 1.5486915977226112
Energy: 1.5472707169135345
Energy: 1.6131519393167337
Energy: 1.3955178500650627
Energy: 1.400833921242245
Energy: 1.411128148265875
Energy: 1.423142051958645
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Energy: 1.3933050913783687
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Energy: 1.5910069530443371
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Energy: 1.4287561166265719
Energy: 1.4655270469033146
Energy: 1.7331149583308159
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Energy: 1.620390773969654
Energy: 1.38257183010747
Energy: 1.3889582460755419
Energy: 1.35958636636038
Energy: 1.4134348235669911
Energy: 1.4616763641990735
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Energy: 1.5312723351026913
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Energy: 1.4886459252741846
Energy: 1.5135836290766322
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Energy: 1.4964425827138073
Energy: 1.6284498544632224
Energy: 1.6638481814093
Energy: 1.6047172268529928
Energy: 1.6788639854475875

minimum gb energy = 1.3369053925509695 eV
minimum distance =  2.21658339286859 Angstroms
sigma value = 219


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

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Energy: 1.4057606600964243
Energy: 1.4282608330502589
Energy: 1.3954008603244807
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Energy: 1.3747937717486522
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Energy: 1.3982164539004363
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Energy: 1.3743031687839686
Energy: 1.3738002973107524
Energy: 1.3786297003213868
Energy: 1.3960009374600884
Energy: 1.3419196759562253
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Energy: 1.3963888109728322
Energy: 1.3787587883286365
Energy: 1.3767131828870567
Energy: 1.4128147446467743
Energy: 1.3170751216948775
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Energy: 1.378371203181993
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Energy: 1.3757485383658066
Energy: 1.3352082190725494
Energy: 1.3377876484315598
Energy: 1.422065168533892
Energy: 1.3767481909690749

minimum gb energy = 1.316524879458853 eV
minimum distance =  2.27917146040442 Angstroms
sigma value = 15


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

Energy: 2.193611578740599
Energy: 1.714992103359118
Energy: 1.7155231643672533
Energy: 1.7266080344461054
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Energy: 1.6337106899791327
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Energy: 1.6846669839968322
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Energy: 1.7857428553042087
Energy: 1.7472564908934052
Energy: 1.6460574200961422
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Energy: 1.5568115773252782
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Energy: 1.5651776738492997
Energy: 1.674968485512533
Energy: 1.8501610428057378
Energy: 1.6355379001127126
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Energy: 1.6688769834530557
Energy: 1.6915211185476813
Energy: 1.6505835620109257
Energy: 1.893070086770468
Energy: 1.5888858674265403
Energy: 1.5981810057868897
Energy: 1.588383827854339
Energy: 1.6526128475059623
Energy: 1.6921054039519545
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minimum gb energy = 1.5099670387680986 eV
minimum distance =  2.23656702961053 Angstroms
sigma value = 293


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

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Energy: 1.5731140096371061
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Energy: 1.5983993863448085
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Energy: 1.6926234276231038
Energy: 1.7683693601902515
Energy: 1.6968225778061012
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Energy: 1.6431578658043338
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Energy: 1.6639813027315067
Energy: 1.926943599172922
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Energy: 1.6262733877340942
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Energy: 1.7613063275822582
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Energy: 1.6084714653342387
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Energy: 1.655689054413393
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Energy: 1.694432848993363
Energy: 1.5918958246971648
Energy: 1.6533724083627181
Energy: 1.643664439350539
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Energy: 1.8133159292791872
Energy: 1.6328614364707423
Energy: 1.6014320836901108
Energy: 1.8825116409215734
Energy: 1.688569568043072
Energy: 1.625390360574613
Energy: 1.6368975404733126
Energy: 1.6420843160041634
Energy: 1.6291217967287965
Energy: 1.7025019481181796
Energy: 1.6796671487862693
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Energy: 1.610244849420501
Energy: 1.7256254030017562
Energy: 1.7106665278429611
Energy: 1.679147752255854
Energy: 1.6295255901195442
Energy: 1.67502375870202
Energy: 1.6004159140286527
Energy: 1.7082205562131039
Energy: 1.6919597533228414
Energy: 2.0303476450377627
Energy: 1.7210605912235546
Energy: 1.8157036248529734
Energy: 1.7498448255845853
Energy: 1.5407433188797037
Energy: 1.6913944275302502
Energy: 1.6189381820511208
Energy: 1.623335715001462
Energy: 1.6474644894723325
Energy: 1.5574906113118854
Energy: 1.7208882156133782
Energy: 1.711605877296562
Energy: 1.6454172989679352
Energy: 1.7005249728385907
Energy: 1.6948756827916047
Energy: 1.7513553067662562
Energy: 1.8012704398132044
Energy: 1.6625403896134132
Energy: 1.5667244021282896
Energy: 1.6047212772220647
Energy: 1.5966048561386086
Energy: 1.6155683425236662
Energy: 1.6102725179360438
Energy: 1.7244411191097624
Energy: 1.8917839048359912
Energy: 1.792604029029905
Energy: 1.658167041650354
Energy: 1.6045341029411615
Energy: 1.5276773022625454
Energy: 1.5701729389374401
Energy: 1.5650135015017126
Energy: 1.6420514203093501
Energy: 1.669832998552077
Energy: 1.7247709820799955
Energy: 1.7809807071044648
Energy: 1.5883517468814816
Energy: 1.6307486496125063
Energy: 1.7032472914735848
Energy: 1.6210963812994712
Energy: 1.5416287895475516
Energy: 1.5872560452255635
Energy: 1.9504048421101743
Energy: 1.6376964604371116
Energy: 1.6081715081262606
Energy: 1.667122132042513

minimum gb energy = 1.5072266364835503 eV
minimum distance =  2.23170027376067 Angstroms
sigma value = 293


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

Energy: 1.9082639996312571
Energy: 1.6943849801224296
Energy: 1.4186928173168991
Energy: 1.8917764936336026
Energy: 1.4159610488852101
Energy: 1.7238167667421518
Energy: 1.4084273317370586
Energy: 1.436897161702888
Energy: 1.4100685019973003
Energy: 1.6933144681900554
Energy: 1.4502959009033811
Energy: 1.4646209687966845
Energy: 1.5646600204132417
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Energy: 1.4117022930277108
Energy: 1.433149671799032
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Energy: 1.7237050400391523
Energy: 1.4168334497192216
Energy: 1.6386614792074417
Energy: 1.647255275726608
Energy: 1.4135581386877503
Energy: 1.419298998351568
Energy: 1.8529626032215363
Energy: 1.5409838638503501
Energy: 1.628560211201566
Energy: 1.432567670745043
Energy: 1.4361813188725432
Energy: 1.4047241992035608
Energy: 1.4134890322821532
Energy: 1.449654089995587
Energy: 1.7006688540402364
Energy: 1.6677752606108636
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Energy: 1.5829329941308736
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Energy: 1.3304051673414252
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Energy: 1.6897067872672058
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Energy: 1.6177247063641718
Energy: 1.4356856946936958
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Energy: 1.6389984948206946
Energy: 1.4642034543881486
Energy: 1.5543117880762078
Energy: 1.6715299781308317
Energy: 1.8372398623836077
Energy: 1.5661067520350738
Energy: 1.437199715421243
Energy: 1.402711106130649
Energy: 1.331401346286966
Energy: 1.4062542408777787
Energy: 1.4123524496954718
Energy: 1.4486637492292953
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Energy: 1.571515793635864
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Energy: 1.540574804899203
Energy: 1.5358561457741764
Energy: 1.434404327019845
Energy: 1.4383306066481802
Energy: 1.644493316020008
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Energy: 1.4674587641206176
Energy: 1.406221208576681
Energy: 1.5566348019486311
Energy: 1.5558404526053573
Energy: 1.4066164470477054
Energy: 1.4349942621449912
Energy: 1.433050340296252
Energy: 1.5467959224906815
Energy: 1.4178946319834684
Energy: 1.4132540084984573
Energy: 1.631046904440705
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Energy: 1.436342263793938
Energy: 1.4039033466529698
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Energy: 1.450859038602519
Energy: 1.5666318100035992
Energy: 1.6758823742270124
Energy: 1.672475466885753
Energy: 1.553551473907344
Energy: 1.7243339940154891
Energy: 1.4080044194164982
Energy: 1.4343526911864435
Energy: 1.4110603590692734
Energy: 1.6939798638437604
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Energy: 1.4185914240883535
Energy: 1.7351300105976197
Energy: 1.4085515343701303
Energy: 1.5527809478809198
Energy: 1.4342925361808991
Energy: 1.5319373461738015
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Energy: 1.6880670438272833
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Energy: 1.5746480528751496
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Energy: 1.5850476434763747
Energy: 1.4120306040036468
Energy: 1.4434004826547657
Energy: 1.3345203272160335
Energy: 1.435332224493925
Energy: 1.4124206173995237
Energy: 1.4492164597811077
Energy: 1.7001024943186391
Energy: 1.6712691819987828
Energy: 1.8571373512262894
Energy: 1.5191768101819274
Energy: 1.564823122335739
Energy: 1.4435108664832168
Energy: 1.4322191948172314
Energy: 1.43760762703402
Energy: 1.6444833670810997
Energy: 1.712774391008251
Energy: 1.4495368228763823
Energy: 1.5528159739595049
Energy: 1.417195733974829
Energy: 1.465015055519863
Energy: 1.5695569287675482
Energy: 1.549681003561119
Energy: 1.5365115645187242
Energy: 1.5312889706584176
Energy: 1.4121133284082656
Energy: 1.4116674327680432
Energy: 1.6600698006497892
Energy: 1.6898574254185317
Energy: 1.554320485474396
Energy: 1.6662854024516778
Energy: 1.8375222727419152
Energy: 1.5673351258079518
Energy: 1.437631245848271
Energy: 1.4327830055593784
Energy: 1.4327629486184668
Energy: 1.6317949876930626
Energy: 1.6432045348253548
Energy: 1.4643714494566726
Energy: 1.555800316260042
Energy: 1.569349458253919
Energy: 1.64888401179055
Energy: 1.4186564228596106
Energy: 1.5314261243806178
Energy: 1.5364785463257515
Energy: 1.4344923141021118
Energy: 1.405688993258184
Energy: 1.4123604778395782
Energy: 1.4492111376281365
Energy: 1.7125968333278956
Energy: 1.4134620853873558
Energy: 1.5558286957936516
Energy: 1.5176319020144402
Energy: 1.4062448329239157
Energy: 1.4356706804172985
Energy: 1.4351062644219628
Energy: 1.622918351764059
Energy: 1.5276717793752355
Energy: 1.4509227424909426
Energy: 1.4660580609204377
Energy: 1.7216558928073484
Energy: 1.4062601293097359
Energy: 1.8904151843638604
Energy: 1.5781132132309248
Energy: 1.627525940605974
Energy: 1.4370083301464966
Energy: 1.406358096098643
Energy: 1.4177069398340285
Energy: 1.5827394975952753
Energy: 1.6469069064058892
Energy: 1.4500968456376502
Energy: 1.5648313911612877
Energy: 1.7494481701186333
Energy: 1.6787013304562635
Energy: 1.5555531553166377
Energy: 1.435757096672562
Energy: 1.4336916238372472
Energy: 1.5337168093239313
Energy: 1.4201711441930351
Energy: 1.4195439917541999

minimum gb energy = 1.3304051673414252 eV
minimum distance =  2.31787429336964 Angstroms
sigma value = 15


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

Energy: 1.9625307893403052
Energy: 1.532577541133128
Energy: 1.5553748287607536
Energy: 1.5586602482604237
Energy: 1.5123650803944173
Energy: 1.5202008511231868
Energy: 1.7598390772252515
Energy: 1.5526513745531048
Energy: 1.5547630275684616
Energy: 1.581920806692113
Energy: 1.6465902636513916
Energy: 1.8485030003546978
Energy: 1.7737938197887333
Energy: 1.823539219079418
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Energy: 1.5098849271614156
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Energy: 1.4791229870968492
Energy: 1.5345980667549666
Energy: 1.622119813808143
Energy: 1.7281111835584364
Energy: 1.7137587119476574
Energy: 1.6974935479421671
Energy: 1.6073946857101835
Energy: 1.5376259832449586
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Energy: 1.6280101762156933
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Energy: 1.7480773112100472
Energy: 1.7222168842211627
Energy: 1.8097839983778776
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Energy: 1.5620312503879354
Energy: 1.5622195815424058
Energy: 1.5444266867812049
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Energy: 1.7322456026038315
Energy: 1.8507148765949897
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Energy: 1.5478780926306477
Energy: 1.7657090368317667
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Energy: 1.5223424491466204
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Energy: 1.5021530424417868
Energy: 1.6678635371876507
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Energy: 1.550893849324593
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Energy: 1.5271751538272862
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Energy: 1.6594216835831253
Energy: 1.653358404615748
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Energy: 1.521680744870822
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Energy: 1.5533335429350776
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Energy: 1.5804982000390262
Energy: 1.674736474859343
Energy: 1.6833089823362006
Energy: 1.595673893134085
Energy: 1.544514877334317
Energy: 1.6672602080525003
Energy: 1.5226051795498792
Energy: 1.5642475831257734
Energy: 1.6180592146588721
Energy: 1.6080283907203736
Energy: 1.674080530196007
Energy: 1.567307049806406
Energy: 1.626104306535168
Energy: 1.6138209394299396
Energy: 1.6454278541023482
Energy: 1.6423028052370119
Energy: 1.569466102831717
Energy: 1.5467263541276486
Energy: 1.9017944020267288
Energy: 1.5740003557485918
Energy: 1.585113952808827
Energy: 1.575928697285503
Energy: 1.6367457896192688
Energy: 1.5997208856288976
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Energy: 1.6619698485698011
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Energy: 1.5284635589376914
Energy: 1.5256821031355918
Energy: 1.5750579029036154
Energy: 1.5316856136232966
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Energy: 1.9136893588000827
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Energy: 1.5410105063230553
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Energy: 1.483838328644307
Energy: 1.4791616493602953
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Energy: 1.7201151370844763
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Energy: 1.7568488739630745
Energy: 1.5573142556779032
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Energy: 1.5055665362024615
Energy: 1.5000606643123744
Energy: 1.5787410586668256
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Energy: 1.727481335798979
Energy: 1.6945601657877432
Energy: 1.7000241221300672
Energy: 1.5464357363007393
Energy: 1.5386420722375818
Energy: 1.5468579104263134
Energy: 1.5618027847614837
Energy: 1.5312901640645684
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Energy: 1.7486302194170862
Energy: 1.6706866435447905
Energy: 1.6799958203632657
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Energy: 1.7341348373571694
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Energy: 1.5809041369979941
Energy: 1.544078752789026
Energy: 1.5108462666025217
Energy: 1.7992918432943015
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Energy: 1.5436650293360623
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Energy: 1.5451213544416602
Energy: 1.541394283710968
Energy: 1.5434013929778079
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Energy: 1.6246686531729688
Energy: 1.752941714551463
Energy: 1.6496849256710477
Energy: 1.6107678826532397
Energy: 1.7208964174782728
Energy: 1.7069315246768386
Energy: 1.5375902980684863
Energy: 1.6446721257868226
Energy: 1.619737242672773
Energy: 1.6161343495781384
Energy: 1.5998458251210925
Energy: 1.5715490793374958
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Energy: 1.6000710260700748
Energy: 1.6943250618663022
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Energy: 1.6384557916407
Energy: 1.6211986145591009
Energy: 1.5592369489148294
Energy: 1.587263776239138
Energy: 1.6039734762242674
Energy: 1.5850014200813483
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Energy: 1.570820999746858
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Energy: 1.6900149286846562
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Energy: 1.574491445860641
Energy: 1.7129407186839851
Energy: 1.6291030556906554
Energy: 1.5939728296652735
Energy: 1.596430409703906
Energy: 1.6149767326440847
Energy: 1.5984883563502483
Energy: 1.58979366117267
Energy: 1.642963849632338
Energy: 1.5448712127767794
Energy: 1.5448973018396148
Energy: 1.7286694370037443
Energy: 1.7238995752558253
Energy: 1.7313163811529675
Energy: 1.6444974814714737
Energy: 1.6260009689689656
Energy: 1.6199708617849133
Energy: 1.6146978726521952
Energy: 1.7613960936410276
Energy: 1.66482345315026
Energy: 1.7356261096040184
Energy: 1.6475883990340758
Energy: 1.5285084141341339
Energy: 1.547277001379066
Energy: 1.7095533786128463
Energy: 1.5132016355885691
Energy: 1.5476082681991044
Energy: 1.51948135929226
Energy: 1.7271015912316467
Energy: 1.6285847146027126
Energy: 1.5546012125821693
Energy: 1.5775253076931104
Energy: 1.5972918455282579
Energy: 1.6989748400794147
Energy: 1.6338960987571873
Energy: 1.604163689959546
Energy: 1.7201890512922575
Energy: 1.5511499585366166
Energy: 1.5215604613489546
Energy: 1.515897304401174
Energy: 1.538935573098588
Energy: 1.5378338050806004
Energy: 1.5533308861482324
Energy: 1.700102892616952
Energy: 1.7230162357353804
Energy: 1.7265337510111696
Energy: 1.7579784594070642
Energy: 1.5723324888539225
Energy: 1.4776660402208266
Energy: 1.4880492333504176
Energy: 1.5267387111249489
Energy: 1.5596300933873704
Energy: 1.526352550153527
Energy: 1.77205190348839
Energy: 1.7533302306544227
Energy: 1.7830420520250008
Energy: 1.6218532660862877
Energy: 1.5550781970597205
Energy: 1.550729410940184
Energy: 1.503001353800712
Energy: 1.5217153708197568
Energy: 1.517740682209191
Energy: 1.5636917596303532
Energy: 1.55804697747094
Energy: 1.5329182762396756
Energy: 1.841985715645147
Energy: 1.5303690048237495
Energy: 1.76745380032135
Energy: 1.7756702601124108
Energy: 1.5509016988889328
Energy: 1.5275017733059102
Energy: 1.4964239985102223
Energy: 1.515537565186349
Energy: 1.516064528372166
Energy: 1.6451515675714863
Energy: 1.5825678150584463
Energy: 1.9157044374760381
Energy: 1.6522028340642094
Energy: 1.6098568643030566
Energy: 1.5486415603930381
Energy: 1.5525120462819302
Energy: 1.5817013022680628
Energy: 1.5180015344204392
Energy: 1.547285884729533
Energy: 1.6278403273100328
Energy: 1.756153582181317
Energy: 1.6695562016894858
Energy: 1.5959610963708581
Energy: 1.5883583062547366
Energy: 1.5969587540511865
Energy: 1.5961275448088015
Energy: 1.5792826608092867
Energy: 1.5571605768758234
Energy: 1.7737924247884622
Energy: 1.8517147533035616
Energy: 1.6724008025260497
Energy: 1.677026367864939
Energy: 1.5627115596483017
Energy: 1.5593632276980847
Energy: 1.55596630688298
Energy: 1.5519723755901287
Energy: 1.6692142439624218
Energy: 1.7052959214478527
Energy: 1.6308774650394604
Energy: 1.5266074415269084
Energy: 1.5203010735585365
Energy: 1.5991075671350385
Energy: 1.7084713285144313
Energy: 1.6720372648638742
Energy: 1.6607771852854185
Energy: 1.5661744842921508
Energy: 1.549923469352914
Energy: 1.5590240405886846
Energy: 1.645714451954679
Energy: 1.702679450852877
Energy: 1.714278656725976
Energy: 1.6726227071028867
Energy: 1.5212238095875552
Energy: 1.57568438768593
Energy: 1.6173258745340813
Energy: 1.7050609637640792
Energy: 1.7083479141422737
Energy: 1.6699863058446647
Energy: 1.6656955036764425
Energy: 1.682638996772968
Energy: 1.5438885482939457
Energy: 1.642241288371777
Energy: 1.558067353697413
Energy: 1.547261326417457
Energy: 1.6772883580193756
Energy: 1.5903985225216024
Energy: 1.5851400708249417
Energy: 1.536417008415168
Energy: 1.6147944856460519
Energy: 1.539271120095355
Energy: 1.6113403710135652
Energy: 1.5625817063844998
Energy: 1.6886776629117735
Energy: 1.7424403939058788
Energy: 1.5320450425068888
Energy: 1.5218157016087317
Energy: 1.6073582098318642
Energy: 1.5819116549639467
Energy: 1.6299446257828705
Energy: 1.6539762736050112
Energy: 1.6513745096489065
Energy: 1.6714375338425573
Energy: 1.670690348697126
Energy: 1.6202490809310084
Energy: 1.5780504164863136
Energy: 1.4964579907646849
Energy: 1.5029116812498833
Energy: 1.551545789625218
Energy: 1.5502565488940192
Energy: 1.755925539300214
Energy: 1.7422917891696088
Energy: 1.6152113457951665
Energy: 1.544745440223186
Energy: 1.5362734013326502
Energy: 1.556981852001477
Energy: 1.550699786838495
Energy: 1.5192622632439468
Energy: 1.5495759392027832
Energy: 1.7674251067524118
Energy: 1.5484265471897984
Energy: 1.5506140872892746
Energy: 1.6714811292266896

minimum gb energy = 1.4767505429325252 eV
minimum distance =  2.19177385049477 Angstroms
sigma value = 437


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

Energy: 1.7619710491672602
Energy: 1.4349046875273164
Energy: 1.5174693192886444
Energy: 1.506484939987773
Energy: 1.5819074317043194
Energy: 1.6132002197660626
Energy: 1.5354100744672365
Energy: 1.549407985141881
Energy: 1.4545137988143257
Energy: 1.4373311832720124
Energy: 1.4798070664232723
Energy: 1.460741213045611
Energy: 1.57430251262403
Energy: 1.7178399608250152
Energy: 1.505045301581235
Energy: 1.3907986131695578
Energy: 1.47735629828358
Energy: 1.5271660600330794
Energy: 1.4575855447884252
Energy: 1.7403101749699952
Energy: 1.6835979909687708
Energy: 1.4587602574072105
Energy: 1.764495879504937
Energy: 1.5096647240213403
Energy: 1.5072014739567487
Energy: 1.511851921067148
Energy: 1.5174919835794902
Energy: 1.4941986860924588
Energy: 1.5060427213799286
Energy: 1.7138069719521165
Energy: 1.5573995142912405
Energy: 1.4593407157137148
Energy: 1.59283824486276
Energy: 1.5039444437580511
Energy: 1.528628137489757
Energy: 1.450399746281308
Energy: 1.6304201542335233
Energy: 1.391359879604517
Energy: 1.3916366328886016
Energy: 1.3906961427421123
Energy: 1.5226682672205925
Energy: 1.592025270184135
Energy: 1.501829909868256
Energy: 1.6202021220104905
Energy: 1.6153026141963929
Energy: 1.560878468966076
Energy: 1.6128245803479528
Energy: 1.6807666062546565
Energy: 1.6636858809372168
Energy: 1.5024754676722107
Energy: 1.4614382177737693
Energy: 1.653303093724034
Energy: 1.4632859066633717
Energy: 1.6874669614786773
Energy: 1.5977957313123439
Energy: 1.4618019713128751
Energy: 1.507676602120546
Energy: 1.5328948703466314
Energy: 1.6162873880453823
Energy: 1.4166110930020706
Energy: 1.4789474714958288
Energy: 1.6621321658389132
Energy: 1.501411934739653
Energy: 1.5063620559736552
Energy: 1.5975841872585008
Energy: 1.4616163801406579
Energy: 1.5367505372605434
Energy: 1.516793418353964
Energy: 1.5570193638908931
Energy: 1.4601679534618486
Energy: 1.4777996603430237
Energy: 1.4840677921064764
Energy: 1.444786284587901
Energy: 1.506351597426487
Energy: 1.582606549387303
Energy: 1.6327399029347678
Energy: 1.5337006522016547
Energy: 1.551793356024859
Energy: 1.5552220182477228
Energy: 1.6960069119044514
Energy: 1.656535573421198
Energy: 1.4604000887400717
Energy: 1.6027563241589269
Energy: 1.506807409275873
Energy: 1.5048236781957371
Energy: 1.4430451733747807
Energy: 1.477445246658298
Energy: 1.4660833783618188
Energy: 1.5563465205685534
Energy: 1.7653416128246424
Energy: 1.6268586114531283
Energy: 1.458245486619154
Energy: 1.6366148738993953
Energy: 1.5569053103352068
Energy: 1.4774754071384895
Energy: 1.4759314075172942
Energy: 1.456118703490172
Energy: 1.444463047136986
Energy: 1.509667388213476
Energy: 1.7362994264785383
Energy: 1.6197037341779483
Energy: 1.4996285152355446
Energy: 1.5924636426862318
Energy: 1.4650975477930868
Energy: 1.5533454568569829
Energy: 1.5020168188770233
Energy: 1.624085171095856
Energy: 1.7250742429111017
Energy: 1.3904860944264028
Energy: 1.4441643227261614
Energy: 1.463311340013359
Energy: 1.7379615464289682
Energy: 1.5006152789975102
Energy: 1.5501251622811771
Energy: 1.6137241524429347
Energy: 1.5344962317241286
Energy: 1.466721891318769
Energy: 1.5764893130317448
Energy: 1.6398993266183868
Energy: 1.4580616341389319
Energy: 1.4610621681723188
Energy: 1.7693056914351262
Energy: 1.5073796838218643
Energy: 1.4702628992127298
Energy: 1.582630525051292
Energy: 1.4662616708090308
Energy: 1.5080457434947652
Energy: 1.6229456723865439
Energy: 1.6027536737652244
Energy: 1.4586034311456006
Energy: 1.478444173162741
Energy: 1.4443736351139604
Energy: 1.5055833952733892
Energy: 1.5068807254510475
Energy: 1.579037558048522
Energy: 1.5809214687054876
Energy: 1.6473673127796948
Energy: 1.5751632974933831
Energy: 1.4334908478505097
Energy: 1.4811819938831619

minimum gb energy = 1.3904860944264028 eV
minimum distance =  2.23580769483878 Angstroms
sigma value = 33