Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Rh
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8000004738569264
cohesive_energy=5.750452274017433
mass=102.905
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.94866189897994e-19, 3.8860634040006594e-19, 4.590187991110979e-19, 5.170320128516039e-19, 5.669302019409e-19, 6.10866691775082e-19, 6.500831692454999e-19, 6.853647009028139e-19, 7.17243209389512e-19, 7.46098410567852e-19, 7.72207480995516e-19, 7.95786714518094e-19, 8.170027375055219e-19, 8.359901327950559e-19, 8.528626549277099e-19, 8.677116279716218e-19, 8.806155585818579e-19, 8.91641738177046e-19, 9.00849447292644e-19, 9.08291557757574e-19, 9.14014532694222e-19, 9.18056824341804e-19, 9.204584871161699e-19, 9.2125156455e-19, 9.20379980461104e-19, 9.17521697346048e-19, 9.1224733186692e-19, 9.040393809709379e-19, 8.922585761811359e-19, 8.76116646593586e-19, 8.54644275344718e-19, 8.266270125459599e-19, 7.905459947482799e-19, 7.44488223050682e-19, 6.86018388969486e-19, 6.12025065481464e-19, 5.184755739988379e-19, 4.0011797951535596e-19, 2.50026072442236e-19, 5.896314426680459e-20, -1.8406125606718798e-19, -4.89059610998598e-19, -8.652266520122879e-19, -1.3244665514988779e-18, -1.9350448514798397e-18, -2.8470198133189798e-18, -4.29525931632426e-18, -6.638634904745339e-18, -1.0402932884562e-17, -1.518563842001442e-17, -1.93626250572168e-17, -2.64961563024384e-17, -3.86967313703484e-17, -6.09336613089612e-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: 0.02007233331757665
Energy: 0.020906778104329705
Energy: 0.021020175578517316
Energy: 0.02034632843005888
Energy: 0.6034101070237502
Energy: 0.020471767346322608
Energy: 0.02090677810404589
Energy: 0.24492546444200253
Energy: 0.24480156403312672
Energy: 0.24514426455712712
Energy: 0.24500137699464689
Energy: 0.2448267129381247
Energy: 0.021020175578517316
Energy: 0.2448015640334105
Energy: 0.2447759096318432
Energy: 0.02082045237676869
Energy: 0.24495929507727457
Energy: 0.24576347745608831
Energy: 0.020346328430342696
Energy: 0.2451442645563072
Energy: 0.02082045237676869
Energy: 0.020345683367750188
Energy: 0.24473366685768316
Energy: 0.02047961661336669
Energy: 0.6034101070223628
Energy: 0.24500137699436308
Energy: 0.24495929507699074
Energy: 0.24473366685739933
Energy: 0.24580474672001235
Energy: 0.24468134008136808
Energy: 0.020471767346606422
Energy: 0.2448267129381247
Energy: 0.24576347745608831
Energy: 0.020479616613650505
Energy: 0.24468134008108425
Energy: 0.02079629689743085

minimum gb energy = 0.02007233331757665 eV
minimum distance =  2.68377876730142 Angstroms
sigma value = 1


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

Energy: 1.8310201042100023
Energy: 1.4642846028692054
Energy: 1.6063472649617994
Energy: 1.8305651263868714
Energy: 2.0089423594568196
Energy: 1.605966915047179
Energy: 1.7696121942350544
Energy: 1.4553173327466167
Energy: 1.455678834003132
Energy: 1.4683584940813017
Energy: 1.455803228408192
Energy: 1.4561415350384137
Energy: 1.72124728522987
Energy: 1.451169797260506
Energy: 1.4511365631254851
Energy: 1.465611535158441
Energy: 1.4510674043766718
Energy: 1.4520557148401496
Energy: 1.9108687668316284
Energy: 1.595847916898563
Energy: 1.6333660287750282
Energy: 1.9849624292775316
Energy: 1.5971718181119408
Energy: 1.445873931618642
Energy: 1.724225587888758
Energy: 1.4407953953408585
Energy: 1.4389286824149299
Energy: 1.4674732337482725
Energy: 1.4424502862713353
Energy: 1.437924938669787
Energy: 1.714948430776275
Energy: 1.4399676884076895
Energy: 1.4386094715491295
Energy: 1.553247238495724
Energy: 1.4402462686272821
Energy: 1.4376880110556596
Energy: 1.7245510881306343
Energy: 1.5571952080324944
Energy: 1.4426829413647353
Energy: 1.7266774380409622
Energy: 1.4407887459120459
Energy: 1.43995451723298
Energy: 1.4409745485073309
Energy: 1.4516033914551467
Energy: 1.4530927561530438
Energy: 1.4405518615847999
Energy: 1.6032522770481774
Energy: 1.4799232670169937
Energy: 1.4401910775505546
Energy: 1.4389579303593025
Energy: 1.4383785404117921
Energy: 1.439611622610987
Energy: 1.4693055222816058
Energy: 1.4386620781118458
Energy: 1.4398457844388322
Energy: 1.4687427890010252
Energy: 1.4384590072049448
Energy: 1.4397472374029767
Energy: 1.4689397713322512
Energy: 1.4391241064415867
Energy: 1.657212484946706
Energy: 1.4200914070823882
Energy: 1.5469432422823512
Energy: 1.6563460192563102
Energy: 1.8283501109222684
Energy: 1.6818730167612723
Energy: 1.4526249585432351
Energy: 1.4458251806964149
Energy: 1.4458392376019444
Energy: 1.452450134133731
Energy: 1.4526740657264905
Energy: 1.452998934368253
Energy: 1.456197897197479
Energy: 1.4384506399783128
Energy: 1.4499076830459172
Energy: 1.4563420160536238
Energy: 1.4664967470291301
Energy: 1.4556543886827724
Energy: 1.5041153896322172
Energy: 1.4450885015498522
Energy: 1.5801831954295433
Energy: 1.5050471401893586
Energy: 1.4451117722676974
Energy: 1.5140883325295769
Energy: 1.4475864558660878
Energy: 1.4673959870187065
Energy: 1.4550554430058795
Energy: 1.4481103143782768
Energy: 1.4673683103105615
Energy: 1.451323072292829
Energy: 1.44660243416556
Energy: 1.4442943024758768
Energy: 1.446324481867159
Energy: 1.4468035363687919
Energy: 1.4520408646453928
Energy: 1.447453109656727
Energy: 1.4483546946012085
Energy: 1.436836520745481
Energy: 1.4375631640900006
Energy: 1.446950423917527
Energy: 1.7165335442884269
Energy: 1.4455979661256235
Energy: 1.5311141677440543
Energy: 1.540995812479518
Energy: 1.547499951354888
Energy: 1.5299521123789588
Energy: 1.5373211000999214
Energy: 1.5459286894599331
Energy: 1.5306024211452134
Energy: 1.532002656372115
Energy: 1.5407996908824395
Energy: 1.525631688892429
Energy: 1.530090127439553
Energy: 1.5435580065906545
Energy: 1.528172644029105
Energy: 1.534332858384118
Energy: 1.5448560113209207
Energy: 1.535093519872574
Energy: 1.526087407418527
Energy: 1.4692013397517534
Energy: 1.8317620667035173
Energy: 1.437985248422709
Energy: 1.475897106379488
Energy: 1.8328142672362882
Energy: 1.4472223544249114
Energy: 1.4746210522722003
Energy: 1.6570747039948723
Energy: 1.4464478355817294
Energy: 1.4472655681142448
Energy: 1.575498420008069
Energy: 1.4460812513190697
Energy: 1.446781001911072
Energy: 1.770528124657651
Energy: 1.4525063716433217
Energy: 1.4378944536212814
Energy: 1.5359084791396052
Energy: 1.451647188692721
Energy: 1.4508179371931036

minimum gb energy = 1.4200914070823882 eV
minimum distance =  2.40849226096581 Angstroms
sigma value = 33


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

Energy: 2.161488978775955
Energy: 1.6095696191419284
Energy: 1.6094244244522915
Energy: 1.438034269903923
Energy: 1.4993052928282122
Energy: 1.609444526499782
Energy: 1.5249442291248883
Energy: 1.499866470522616
Energy: 1.4994117381842664
Energy: 1.563072113029566
Energy: 1.4995507561264172
Energy: 1.5057337248550828
Energy: 1.7070718992347984
Energy: 1.509738496653516
Energy: 1.5104559176980397
Energy: 1.7089207110959121
Energy: 1.509656320615922
Energy: 1.5107517628995717
Energy: 1.8079369820753894
Energy: 1.5280535067602923
Energy: 1.5150651119919538
Energy: 1.8046881716357441
Energy: 1.5241942686860124
Energy: 1.5562415816043313
Energy: 1.6988178919201933
Energy: 1.5045595256583453
Energy: 1.5067507932120394
Energy: 1.5564083166692388
Energy: 1.503410005972011
Energy: 1.5052365680960094
Energy: 1.7604408369062319
Energy: 1.5392356196290415
Energy: 1.5081152055090667
Energy: 1.808922137653877
Energy: 1.5029738279954858
Energy: 1.5061929144638577
Energy: 1.7606508689706837
Energy: 1.5624438337742241
Energy: 1.549915315841704
Energy: 1.494937934877622
Energy: 1.5518419511609056
Energy: 1.5504425951529206
Energy: 1.4809165855927424
Energy: 1.5279665025220646
Energy: 1.523984161582967
Energy: 1.4814944463833697
Energy: 1.5285956635526012
Energy: 1.5448727154356485
Energy: 1.4608969254876634
Energy: 1.5118438341783274
Energy: 1.4553160063937505
Energy: 1.461209638873026
Energy: 1.531863039759121
Energy: 1.4619443817373488
Energy: 1.4666358182008945
Energy: 1.5246338023344423
Energy: 1.4936687612275086
Energy: 1.4600035363804083
Energy: 1.5176268087992524
Energy: 1.4628302633995531
Energy: 1.5355915085696727
Energy: 1.4154111011001702
Energy: 1.4150255634909963
Energy: 1.5366519861321435
Energy: 1.4149741299118892
Energy: 1.5774063908151883
Energy: 1.45963759319077
Energy: 1.4687461390944119
Energy: 1.5008334915801278
Energy: 1.4596451313428496
Energy: 1.4821097523218965
Energy: 1.4592856543754866
Energy: 1.4682539727277764
Energy: 1.5174001247885278
Energy: 1.4671516349530285
Energy: 1.4683055988244744
Energy: 1.5189552398892674
Energy: 1.4706166177400184
Energy: 1.4795176501121383
Energy: 1.4471151960306674
Energy: 1.5579889400091347
Energy: 1.47911040957549
Energy: 1.4462434762896983
Energy: 1.558697210578039
Energy: 1.5259059421279746
Energy: 1.5238527291909316
Energy: 1.5473852120452225
Energy: 1.5256938631667643
Energy: 1.5112801985646283
Energy: 1.4712721746680908
Energy: 1.5284843716351004
Energy: 1.541443527020469
Energy: 1.54073713946481
Energy: 1.5291540845394027
Energy: 1.5601483619331609
Energy: 1.5415664941205098
Energy: 1.5268006903869191
Energy: 1.5536152147877116
Energy: 1.5524287782941353
Energy: 1.5363424664321979
Energy: 1.554476680672042
Energy: 1.5518501272057543
Energy: 1.5251431529471768
Energy: 1.5629812336522675
Energy: 1.5483049460002192
Energy: 1.526713696299938
Energy: 1.6668922724076993
Energy: 1.518738690360571
Energy: 1.525619354654355
Energy: 1.4672051580546193
Energy: 1.4660695744807042
Energy: 1.5266598896687043
Energy: 1.4655961057808737
Energy: 1.4653930428405484
Energy: 1.6628857506759935
Energy: 1.4666937184719055
Energy: 1.51182970081762
Energy: 1.5543717938176025
Energy: 1.466947935467353
Energy: 1.5019680853168031
Energy: 2.0150214699117894
Energy: 1.592769277900357
Energy: 1.5805892399811576
Energy: 2.0126534979977224
Energy: 1.5480892233208432
Energy: 1.4148384157646463
Energy: 1.4443432756893892
Energy: 1.4692677004954957
Energy: 1.4657611714437895
Energy: 1.4801878881395012
Energy: 1.4685150535457085
Energy: 1.4654546577664325
Energy: 1.6655200170682904
Energy: 1.4744929841826884
Energy: 1.474840231134827
Energy: 1.559534961759055
Energy: 1.4753035868691484
Energy: 1.4752506624185857
Energy: 1.8076637650268395
Energy: 1.4931520075052591
Energy: 1.4891995853120992
Energy: 1.8044371495901157
Energy: 1.489140916299278
Energy: 1.561278516477331
Energy: 1.6755659819013882
Energy: 1.526665593957692
Energy: 1.4688695905797002
Energy: 1.5614788269324038
Energy: 1.5474020566403597
Energy: 1.5624459178029617
Energy: 1.6893092406540389
Energy: 1.5361005876511566
Energy: 1.5418925106711452
Energy: 1.555538261123365
Energy: 1.5289603470093607
Energy: 1.539783323890617
Energy: 1.8282855948597496
Energy: 1.5420714098144532
Energy: 1.5414827999324316
Energy: 1.828667286386363
Energy: 1.5336543036006807
Energy: 1.5525212052698445
Energy: 1.5397993446741491
Energy: 1.523122403229866
Energy: 1.5121627442529864
Energy: 1.5616129092972793
Energy: 1.5279774359358957
Energy: 1.4550844050174867
Energy: 1.4608722146968134
Energy: 1.5233531550512753
Energy: 1.5138546744621313
Energy: 1.4610282160639365
Energy: 1.529447925398965
Energy: 1.462367051271829
Energy: 1.4663579034664236
Energy: 1.5391300640922814
Energy: 1.4977504584450656
Energy: 1.4663298952768598
Energy: 1.5400358584566938
Energy: 1.5002138921321773
Energy: 1.54004132963116
Energy: 1.4156653708632627
Energy: 1.4148872949917146
Energy: 1.5393177676466014
Energy: 2.0061752011263505
Energy: 1.41595530336283
Energy: 1.4686072867693813
Energy: 1.4743696136056126
Energy: 1.4229038943389185
Energy: 1.4683708378968636
Energy: 1.4817605666492182
Energy: 1.4580573415352291
Energy: 1.4619811663854347
Energy: 1.5168790312210125
Energy: 1.4660731442324313
Energy: 1.4689445229432787
Energy: 1.5365287276470043
Energy: 1.4689117842663344
Energy: 1.4618956661183191
Energy: 1.4468146540894669
Energy: 1.5649860149628403
Energy: 1.4614832637674238
Energy: 1.4463124844432498
Energy: 1.5656272767921333
Energy: 1.5115394047413133
Energy: 1.5141104860286954
Energy: 1.469309440569406
Energy: 1.5118918900756428
Energy: 1.599509964157017
Energy: 1.4743988705524331
Energy: 1.5097030044289141
Energy: 1.5219416820462597
Energy: 1.5113047566413167
Energy: 1.5119974749720844
Energy: 1.550947736597462
Energy: 1.512213282894008
Energy: 1.5109263042367653
Energy: 1.546005662553302
Energy: 1.548408361283204
Energy: 1.5223908962811006
Energy: 1.5545868029252188
Energy: 1.5219502586227713
Energy: 1.5254643867644164
Energy: 1.5962081865323494
Energy: 1.5196557593347404
Energy: 1.5252986440286713
Energy: 1.5694380697617993
Energy: 1.565548294147242
Energy: 1.5251441282502265
Energy: 1.498470886571828
Energy: 1.4987988502568983
Energy: 1.5266663162786653
Energy: 1.4971321042640546
Energy: 1.516888493319505
Energy: 1.700618389165406
Energy: 1.4963165410087442
Energy: 1.5352540296996797
Energy: 1.5721667916679403
Energy: 1.497457079690405
Energy: 1.4974392681746025
Energy: 1.953394178414256
Energy: 1.672890719864743
Energy: 1.436274250886518
Energy: 1.4663224925964895
Energy: 1.6702164577561045
Energy: 1.4366446659240113

minimum gb energy = 1.4148384157646463 eV
minimum distance =  2.51938839010115 Angstroms
sigma value = 51


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

Energy: 1.9353206173142719
Energy: 1.4584836760031525
Energy: 1.4584993240433368
Energy: 1.9326427715549879
Energy: 1.523063306160412
Energy: 1.5344967901934636
Energy: 1.6765543280754083
Energy: 1.463056162828143
Energy: 1.4637260674736214
Energy: 1.5159984949568783
Energy: 1.462569390749779
Energy: 1.4648646653916106
Energy: 1.5072299253662438
Energy: 1.4608671051537596
Energy: 1.4614454106586623
Energy: 1.5852766392009485
Energy: 1.4605540522175013
Energy: 1.461023525318848
Energy: 1.763116260260625
Energy: 1.6454534054762846
Energy: 1.5149894125376102
Energy: 1.7620638802729554
Energy: 1.6448349227047077
Energy: 1.481691793859989
Energy: 1.516442076714787
Energy: 1.5129695781322854
Energy: 1.51560089073592
Energy: 1.5159228277590278
Energy: 1.5154428517651852
Energy: 1.5159291514979487
Energy: 1.5145860859674627
Energy: 1.5139103753378345
Energy: 1.5133105153148083
Energy: 1.5146367921111188
Energy: 1.5145125248394578
Energy: 1.5117247028804033
Energy: 1.5142887008983692
Energy: 1.5138656322929516
Energy: 1.5430315539986714
Energy: 1.5143036190124095
Energy: 1.4882096465342831
Energy: 1.5138354051817096
Energy: 1.4924621643556841
Energy: 1.428462038105335
Energy: 1.4293133132417213
Energy: 1.4943950601408245
Energy: 1.5739400819335327
Energy: 1.438485393318811
Energy: 1.460735257105336
Energy: 1.4284310970790504
Energy: 1.449516926655801
Energy: 1.4608120974127559
Energy: 1.4273536431176417
Energy: 1.462116613444865
Energy: 1.462110930204226
Energy: 1.5256735079080517
Energy: 1.460259820069193
Energy: 1.462289990146694
Energy: 1.531592284407434
Energy: 1.46280427484808
Energy: 1.461210874502069
Energy: 1.4419130269737432
Energy: 1.4429867990875482
Energy: 1.4603557859505314
Energy: 1.443802020740884
Energy: 1.489409076322334
Energy: 1.4472794962698146
Energy: 1.5334111154569137
Energy: 1.441372356108631
Energy: 1.4471391650874268
Energy: 1.5469136982149707
Energy: 1.4407569367101885
Energy: 1.4441490096194216
Energy: 1.4320490965330046
Energy: 1.4450462407297642
Energy: 1.4461428336600812
Energy: 1.5459570106429221
Energy: 1.4478710993821722
Energy: 1.4482131367605575
Energy: 1.4349830246891986
Energy: 1.470556539894842
Energy: 1.4481825563411073
Energy: 1.766386217128879
Energy: 1.5722799494712647
Energy: 1.5881566867914643
Energy: 1.5251440834374987
Energy: 1.4230231929865813
Energy: 1.5885443077169534
Energy: 1.7002683869633912
Energy: 1.421911025161956
Energy: 1.5882118384654462
Energy: 1.445371824481411
Energy: 1.4460638644976684
Energy: 1.588787839251889
Energy: 1.4440652025477405
Energy: 1.4766030191837747
Energy: 1.5145215350122319
Energy: 1.445504715959046
Energy: 1.446071813588532
Energy: 1.5297122285815046
Energy: 1.4452879301326995
Energy: 1.4471173431575908
Energy: 1.9494952684011724
Energy: 1.4515669983414174
Energy: 1.4552998151091932
Energy: 1.9488426648179396
Energy: 1.447528775036019
Energy: 1.4584173460722472

minimum gb energy = 1.421911025161956 eV
minimum distance =  2.49848808162804 Angstroms
sigma value = 19


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

Energy: 1.6391688607259989
Energy: 1.3064806248028649
Energy: 1.3063595708836773
Energy: 1.6390942465349916
Energy: 1.2902095811034004
Energy: 1.307893889210618
Energy: 1.6374262535120467
Energy: 1.2886049255644083
Energy: 1.2895537725531485
Energy: 1.4777902458262577
Energy: 1.2885835718193268
Energy: 1.2886664284831895
Energy: 1.4668538293315059
Energy: 1.2886983243050592
Energy: 1.2884716735301875
Energy: 1.2911163253890319
Energy: 1.2899353026990301
Energy: 1.2880001163757129
Energy: 1.4458810095366628
Energy: 1.4716927778044773
Energy: 1.2881680098219819
Energy: 1.447278427555193
Energy: 1.4731385752213886
Energy: 1.2883293659918975
Energy: 1.4759070994828696
Energy: 1.289828327046908
Energy: 1.3738499871476084
Energy: 1.4721072363564998
Energy: 1.373177609600181
Energy: 1.3756176823758104
Energy: 1.4672560522317584
Energy: 1.2534137910964238
Energy: 1.3746708640102958
Energy: 1.468070783272696
Energy: 1.253231986383414
Energy: 1.3746819688414873
Energy: 1.4670374318742438
Energy: 1.3948905547312647
Energy: 1.3733081275077093
Energy: 1.466459572043917
Energy: 1.3944964976572785
Energy: 1.3730746881969917
Energy: 1.474471607621779
Energy: 1.2804911956901737
Energy: 1.2541678666154403
Energy: 1.473705346489439
Energy: 1.6369838487219348
Energy: 1.2540307051797934
Energy: 1.2905719950899055
Energy: 1.280562883320286
Energy: 1.254814215557422
Energy: 1.2902714583067554
Energy: 1.307795858126991
Energy: 1.2539576180764866
Energy: 1.2899533742015725
Energy: 1.2899742832335248
Energy: 1.290299667321083
Energy: 1.2903092692983564
Energy: 1.329583282848361
Energy: 1.2901758326206467
Energy: 1.2900346501279818
Energy: 1.3484105086764837
Energy: 1.3683237035136553
Energy: 1.2894731617354391
Energy: 1.448269673524226
Energy: 1.288335823914092
Energy: 1.4676249137665642
Energy: 1.3759261707473889
Energy: 1.3930801126648542
Energy: 1.467567799584288
Energy: 1.4138150376854342
Energy: 1.2930009975239418
Energy: 1.2605328189112577
Energy: 1.3751205211012183
Energy: 1.374344227785798
Energy: 1.261002227623035
Energy: 1.3760417654812442
Energy: 1.376403823054726
Energy: 1.4716973729059577
Energy: 1.3772123113385424
Energy: 1.377495664226136
Energy: 1.374362401815529
Energy: 1.46868948136227
Energy: 1.3949714240038413
Energy: 1.6402023308650595
Energy: 1.2893324646742657
Energy: 1.2894506863713977
Energy: 1.6371675475027967
Energy: 1.4734591255592162
Energy: 1.2538489403710351
Energy: 1.6407406368039668
Energy: 1.2921056217784141
Energy: 1.2535187566950887
Energy: 1.640393159638513
Energy: 1.2902111945432728
Energy: 1.2546970088752436
Energy: 1.4697477991180707
Energy: 1.2879775025128994
Energy: 1.2885700477681132
Energy: 1.2894403673187562
Energy: 1.2895302759267457
Energy: 1.2894606808869435
Energy: 1.4453250409510494
Energy: 1.2878981000101153
Energy: 1.2875520743490494
Energy: 1.4451263474437022
Energy: 1.2876110612342526
Energy: 1.2882994122392526
Energy: 1.4451263192815729
Energy: 1.2875449407830215
Energy: 1.2892853998313112
Energy: 1.4463387567937787
Energy: 1.2890494869168176
Energy: 1.288572671970948
Energy: 1.4689606917288272
Energy: 1.2535360622454588
Energy: 1.3742545162461017
Energy: 1.4723908754452957
Energy: 1.2533071281378023
Energy: 1.3735459331304196
Energy: 1.4738836788168999
Energy: 1.3759281020236727
Energy: 1.3741555651877835
Energy: 1.4690078304355956
Energy: 1.3808425610991046
Energy: 1.3759925312577752
Energy: 1.4710363578092125
Energy: 1.3755686168556083
Energy: 1.37404713946728
Energy: 1.4732829545210233
Energy: 1.4391437808865015
Energy: 1.3759104608262247
Energy: 1.5881674042443195
Energy: 1.2686158448350415
Energy: 1.3336135484648648
Energy: 1.3383023739785946
Energy: 1.638289381409694
Energy: 1.30640902738933
Energy: 1.2891061715983998
Energy: 1.4263215280410124
Energy: 1.2951843398161642
Energy: 1.2904196741289171
Energy: 1.4532573147127847
Energy: 1.2882516300983218
Energy: 1.2920903132282953
Energy: 1.308326728312129
Energy: 1.2889303339054117
Energy: 1.2904870559138513
Energy: 1.290320958304467
Energy: 1.2880643967051058
Energy: 1.4730676631416844
Energy: 1.3491214555424833
Energy: 1.3484493178027637
Energy: 1.473238378187435
Energy: 1.4495326357081677
Energy: 1.2884845214640455
Energy: 1.4672921838524478
Energy: 1.3745328073461516
Energy: 1.3750235561642248
Energy: 1.4681634708239697
Energy: 1.2747656972284813
Energy: 1.3736333003468886
Energy: 1.2533323472658557
Energy: 1.3749869014643183
Energy: 1.375672056721499
Energy: 1.253013525524344
Energy: 1.4695780939763587
Energy: 1.3751652491548698
Energy: 1.4723167730489808
Energy: 1.3756490422691732
Energy: 1.3745324051167163
Energy: 1.2919488307974238
Energy: 1.4686633531363147
Energy: 1.3739205529372687
Energy: 1.6411561649762856
Energy: 1.4740206721722438
Energy: 1.2537201473732618
Energy: 1.6402355298328115
Energy: 1.4735683906484014
Energy: 1.2547074016581825

minimum gb energy = 1.253013525524344 eV
minimum distance =  2.55553819721323 Angstroms
sigma value = 27


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

Energy: 1.4807920827310461
Energy: 1.6050249758285318
Energy: 1.6052472531302653
Energy: 1.483904167740663
Energy: 1.325837756579301
Energy: 1.6068825442752661
Energy: 1.2406694062432155
Energy: 1.3260938619813922
Energy: 1.3262624435247259
Energy: 1.440628731414479
Energy: 1.3259943658718116
Energy: 1.326025695323045
Energy: 1.3713655408635355
Energy: 1.3386089135019912
Energy: 1.3386293106173313
Energy: 1.3691285737264178
Energy: 1.3394187988655515
Energy: 1.3380491427383927
Energy: 1.2397815285733629
Energy: 1.42973031022769
Energy: 1.3391772616926372
Energy: 1.4174784117662238
Energy: 1.337172780478943
Energy: 1.3395617570894498
Energy: 1.5591149757923894
Energy: 1.2375692145167
Energy: 1.345455619097052
Energy: 1.5583438485468406
Energy: 1.4881421713366683
Energy: 1.346364148646178
Energy: 1.3369082391304243
Energy: 1.2374276165849136
Energy: 1.2416441242664285
Energy: 1.3374176117675283
Energy: 1.489241826627274
Energy: 1.2400601088088214
Energy: 1.325244796180139
Energy: 1.3810214837216122
Energy: 1.3798517742959304
Energy: 1.325618265442335
Energy: 1.3804208803385756
Energy: 1.3253303922118993
Energy: 1.3258564233401373
Energy: 1.3220642945667789
Energy: 1.3280948700128494
Energy: 1.3259882305698203
Energy: 1.320316849028377
Energy: 1.3269462580773044
Energy: 1.3725217604592257
Energy: 1.3310926727289538
Energy: 1.3823012633825709
Energy: 1.3729700221970567
Energy: 1.5253532918621555
Energy: 1.3766918066626446
Energy: 1.3744785481111568
Energy: 1.3304814332722217
Energy: 1.3297830950420444
Energy: 1.370547223898758
Energy: 1.372936485911825
Energy: 1.3291762635861728
Energy: 1.3702036948151854
Energy: 1.3735657366997027
Energy: 1.3309804414703892
Energy: 1.3703027820551743
Energy: 1.3743380671019976
Energy: 1.330555619129981
Energy: 1.559091699367474
Energy: 1.3259935294978866
Energy: 1.3247104333780961
Energy: 1.329186617357598
Energy: 1.371545420021938
Energy: 1.3782722370419775

minimum gb energy = 1.2374276165849136 eV
minimum distance =  2.50928861326042 Angstroms
sigma value = 9


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

Energy: 2.2343457350364955
Energy: 1.5235783236788107
Energy: 1.17822479061001
Energy: 1.2410721011010748
Energy: 1.936489974390348
Energy: 1.1790551158967637
Energy: 1.2863107344333795
Energy: 1.1880074899237592
Energy: 1.1886687658749984
Energy: 1.3372417270280246
Energy: 1.1877655485289613
Energy: 1.1878818096931087
Energy: 1.2086736055399563
Energy: 1.192165391024915
Energy: 1.1908575245979398
Energy: 1.2047989499681424
Energy: 1.190554314269641
Energy: 1.1909498312247846
Energy: 1.5062677036822938
Energy: 1.1954000314920945
Energy: 1.1792867563548344
Energy: 1.2097393718783545
Energy: 1.1899754342304383
Energy: 1.1878356291806138
Energy: 1.351121007612216
Energy: 1.251172904348027
Energy: 1.1507476803471328
Energy: 1.3519329612802018
Energy: 1.3927759654691336
Energy: 1.2978034001592935
Energy: 1.2222488771720927
Energy: 1.211587503796205
Energy: 1.146356841175348
Energy: 1.2224316544378155
Energy: 1.2122759215343095
Energy: 1.1462348936126343
Energy: 1.2320188021214873
Energy: 1.1664908349036165
Energy: 1.1657674229730637
Energy: 1.2319348080986179
Energy: 1.1960958851770882
Energy: 1.2349869111539968
Energy: 1.19270149513299
Energy: 1.1815746544609045
Energy: 1.2217225786308314
Energy: 1.192731238711099
Energy: 1.303173534573626
Energy: 1.1930351994557487
Energy: 1.2097409032865545
Energy: 1.243116621310653
Energy: 1.2096762331884792
Energy: 1.2104046733349225
Energy: 1.2843769076755625
Energy: 1.2725993597233658
Energy: 1.7452266708990372
Energy: 1.2701323488862295
Energy: 1.2684633909516245
Energy: 1.1318523640660851
Energy: 1.2014068300687075
Energy: 1.2243714467237892
Energy: 1.1372892030407464
Energy: 1.193240599289764
Energy: 1.1930235079630451
Energy: 1.1323213998021808
Energy: 1.1924525872814509
Energy: 1.1953735003749382
Energy: 1.2085988521306126
Energy: 1.2332293941146348
Energy: 1.2324557848957667
Energy: 1.2924117018381223
Energy: 1.23270989850126
Energy: 1.2314495566288433
Energy: 1.9808560250885687
Energy: 1.2263686735897696
Energy: 1.191167618906203
Energy: 1.3190549972518846
Energy: 1.2274490260974247
Energy: 1.2278814034397763
Energy: 1.3645493186394675
Energy: 1.231754888489655
Energy: 1.2332764158626142
Energy: 1.3046407991033722
Energy: 1.2642777273122656
Energy: 1.1643205476714116
Energy: 1.1895838103600427
Energy: 1.2742870174818663
Energy: 1.2878782117530576
Energy: 1.1896382524108198
Energy: 1.2788975888783332
Energy: 1.189948589620156
Energy: 1.1887332885328687
Energy: 1.2147655304892169
Energy: 1.2058691296533408
Energy: 1.1906228505473142
Energy: 1.2643003217372333
Energy: 1.1874313756345773
Energy: 1.189016001716278
Energy: 1.2150794098133921
Energy: 1.1653266561918838
Energy: 1.1890970774566805
Energy: 1.3230559575530914
Energy: 1.1882265415099433
Energy: 1.2080756875025107
Energy: 1.2662910087732073
Energy: 1.2184894964057607
Energy: 1.2077007392998038
Energy: 1.2243008080955171
Energy: 1.3123300489911616
Energy: 1.2078103215723857
Energy: 1.2178425030925206
Energy: 1.2055288455872752
Energy: 1.207499204458738
Energy: 1.2951083555817346
Energy: 1.1881029947084258
Energy: 1.2085155103420755
Energy: 1.2174676202881096
Energy: 1.2178910483164171
Energy: 1.2097612098945865
Energy: 1.2087015727087007
Energy: 1.2130225570624518
Energy: 1.2070675682725927
Energy: 1.1878863249694653
Energy: 1.1893433378298939
Energy: 1.2076969706518272
Energy: 1.2084345717397742
Energy: 1.2148323614873653
Energy: 1.262027968876074
Energy: 1.1876029573509852
Energy: 1.2292787671166197
Energy: 1.2218069393358684
Energy: 1.2123040216898253
Energy: 1.2298845745853229
Energy: 1.2628500248281957
Energy: 1.1882790877552318
Energy: 1.1890246038070158
Energy: 1.3180830735458902
Energy: 1.1883233013875996
Energy: 1.2624440568373227
Energy: 1.2083027971022193
Energy: 1.1885013863716771
Energy: 1.1881772716763483
Energy: 1.2053088051748315
Energy: 1.188429332634322
Energy: 1.1876422213813513
Energy: 1.5031451670521563
Energy: 1.1900897518410862
Energy: 1.1907949558838224
Energy: 1.4689377880541619
Energy: 1.1894433936432645
Energy: 1.221995826234159
Energy: 1.2074047004483437
Energy: 1.2184248120354302
Energy: 1.196664948010022
Energy: 1.2041923352952746
Energy: 1.306160936214611
Energy: 1.2624757132306996
Energy: 1.2271169518645118
Energy: 1.29525472559536
Energy: 1.2715535255946133
Energy: 1.359660747717006
Energy: 1.2945564324024512
Energy: 1.2622265278672773
Energy: 1.224527939367724
Energy: 1.1659981640752966
Energy: 1.163762949997868
Energy: 1.2247693454405462
Energy: 1.3277753731154238
Energy: 1.235511585344308
Energy: 1.1921970285236834
Energy: 1.232866371262359
Energy: 1.2763848142691545
Energy: 1.1930526152155634
Energy: 1.2836935552724527
Energy: 1.1921906402725808
Energy: 1.201691183225104
Energy: 1.306477293771349
Energy: 1.1825119075773411
Energy: 1.2018357244559263
Energy: 1.3036097186065934
Energy: 1.2712262442505209
Energy: 1.1372439142049622
Energy: 1.184642153674478
Energy: 1.1870770591246322
Energy: 1.1323653444233446
Energy: 1.249073282137053
Energy: 1.2617905558449776
Energy: 1.7370176972738944
Energy: 1.1936254632591548
Energy: 1.192898801138647
Energy: 1.2158011031631502
Energy: 1.1933687492657978
Energy: 1.224161555483847
Energy: 1.205787024157617
Energy: 1.2323971242713183
Energy: 1.2331896702348666
Energy: 1.2050884741108983
Energy: 1.2319510336310977
Energy: 1.2327943112129673
Energy: 1.4981589293265414
Energy: 1.223919584199435
Energy: 1.2262291552033782
Energy: 1.1771839437600662
Energy: 1.2236215457061799
Energy: 1.2687109275863544
Energy: 1.2006054002710784
Energy: 1.2265671592121667
Energy: 1.2227006953016057
Energy: 1.1725245437188399
Energy: 1.2983687939848518
Energy: 1.1653848389470702
Energy: 1.191482050084827
Energy: 1.2741814842175405
Energy: 1.2940286122814637
Energy: 1.1912302050147774
Energy: 1.2720634937030082
Energy: 1.1782654591247634
Energy: 1.1887484420913306
Energy: 1.223188854233738
Energy: 1.217321814955504
Energy: 1.189712849187514
Energy: 1.2049185003517748
Energy: 1.190743979503123
Energy: 1.1877418999859664
Energy: 1.2348149837927596
Energy: 1.2331368305899382
Energy: 1.1881292735497495
Energy: 1.2583733765624168
Energy: 1.1886181229155046
Energy: 1.186731275768972
Energy: 1.224039198813829
Energy: 1.415868288661421
Energy: 1.1869023666158536
Energy: 1.2241038599141378
Energy: 1.3057080728127974
Energy: 1.208665251176546
Energy: 1.2465809588620453
Energy: 1.232715817927248
Energy: 1.2084864719709418
Energy: 1.2433645341524784
Energy: 1.1908446037013438
Energy: 1.2064377907091082
Energy: 1.215895659208217
Energy: 1.209449946740505
Energy: 1.2086212355761787
Energy: 1.2089766834109175
Energy: 1.2189269344198537
Energy: 1.2068672464270511
Energy: 1.2078615308739789
Energy: 1.216318857941938
Energy: 1.207408188765246
Energy: 1.2085293557357946
Energy: 1.2100729496921188
Energy: 1.2633488452736261
Energy: 1.1885164112203388
Energy: 1.1890580731789109
Energy: 1.3244554188612088
Energy: 1.186639003792167
Energy: 1.2627216773250014

minimum gb energy = 1.1318523640660851 eV
minimum distance =  2.47556403211624 Angstroms
sigma value = 57


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

Energy: 0.5146171253487127
Energy: 0.5385456365095805
Energy: 0.5389554112958266
Energy: 0.520563580725244
Energy: 0.6188420047858811
Energy: 0.5159957499527505
Energy: 0.5154256746930336
Energy: 0.6199507212845266
Energy: 0.5511772275256814
Energy: 0.6181799442420698
Energy: 0.6199242229352231
Energy: 0.6444538402062107
Energy: 0.7365103552215756
Energy: 0.619919729849603
Energy: 0.6199109676267807
Energy: 0.6199014551200922
Energy: 0.6213411250162987
Energy: 0.6463154287733904
Energy: 0.7366491443600087
Energy: 0.6198805330557842
Energy: 0.6199186008216259
Energy: 0.6193956490931998
Energy: 0.7366188345840454
Energy: 0.7381831141552763
Energy: 0.7353482362084931
Energy: 0.5158061330771085
Energy: 0.5934083589456268
Energy: 0.7364263197147427
Energy: 0.5153737024536866
Energy: 0.5512702290610719
Energy: 0.6212042550300523
Energy: 0.5152136678623003
Energy: 0.5159315719430236
Energy: 0.6210847080321621
Energy: 0.5150876484788195
Energy: 0.5881686786406287
Energy: 0.6155953946033866
Energy: 0.5496049649682756
Energy: 0.5497376960728688
Energy: 0.616967135388223
Energy: 0.6203128297470681
Energy: 0.6444034582882976
Energy: 0.6206194219604612
Energy: 0.7396115000057
Energy: 0.738938828603611
Energy: 0.6210041387814873
Energy: 0.6193431400807314
Energy: 0.6204750051876335
Energy: 0.7329996661524011
Energy: 0.6194176509454207
Energy: 0.6278366522533548
Energy: 0.7350927484878073
Energy: 0.6193364162191816
Energy: 0.6205398378514254
Energy: 0.515024897916523
Energy: 0.619283650915008
Energy: 0.5910269495183881
Energy: 0.5150718318943227
Energy: 0.7366852260104854
Energy: 0.5896075119341581
Energy: 0.5151223873588406
Energy: 0.5497539936108691
Energy: 0.549605867670141
Energy: 0.515130325841209
Energy: 0.620689693257887
Energy: 0.5926583942344571
Energy: 0.7354817117424935
Energy: 0.6196582341388496
Energy: 0.6200718553621665
Energy: 0.7356057681791778
Energy: 0.6197093370742294
Energy: 0.5501693720750923
Energy: 0.7375568336007662
Energy: 0.7360883584840637
Energy: 0.7384494501235872
Energy: 0.7394069479096026
Energy: 0.7366817480370802
Energy: 0.7388720827215037
Energy: 0.7343166488060194
Energy: 0.6198474023758652
Energy: 0.6194893116907569
Energy: 0.735920356902511
Energy: 0.6189389426809855
Energy: 0.6444215665467042
Energy: 0.7370462260443535
Energy: 0.515065624561208
Energy: 0.5156260555825598
Energy: 0.7370280084709316
Energy: 0.5150262258651553
Energy: 0.590460925600472
Energy: 0.6194571291916319
Energy: 0.619200304340026
Energy: 0.6448286117056042
Energy: 0.6196026717356913
Energy: 0.5160407300464285
Energy: 0.5532228846987435
Energy: 0.6208443132180386
Energy: 0.6198417357090952
Energy: 0.5505669669148605
Energy: 0.6208262533131526
Energy: 0.6194290547530574
Energy: 0.619974013798404
Energy: 0.7367533905767806
Energy: 0.6193412349875447
Energy: 0.7391820792660764
Energy: 0.7367545053642272
Energy: 0.6198414022332113
Energy: 0.6207514534588906
Energy: 0.5156447770865212
Energy: 0.6203715233171889
Energy: 0.5502744645007798
Energy: 0.5154814130749157
Energy: 0.7359400130534984
Energy: 0.6204989894008538

minimum gb energy = 0.5146171253487127 eV
minimum distance =  2.53420710720802 Angstroms
sigma value = 11


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

Energy: 1.9186618911248057
Energy: 1.238802277646224
Energy: 1.3913197144852654
Energy: 0.9994342683040952
Energy: 1.4625498024087316
Energy: 1.041225185319079
Energy: 1.0978625355495633
Energy: 1.065207436113207
Energy: 1.0437792007905906
Energy: 1.0924659809373125
Energy: 1.0645059217742776
Energy: 1.061542422987626
Energy: 1.0629880068310655
Energy: 1.0663065173561683
Energy: 1.065591394549888
Energy: 1.0654100174365235
Energy: 1.0693275908677802
Energy: 1.069921865229405
Energy: 1.0622272293705342
Energy: 1.0846438070775677
Energy: 1.0651013408099053
Energy: 1.0645971840366273
Energy: 1.0635377956134626
Energy: 1.0623128708822644
Energy: 1.0664793740962784
Energy: 0.9761061561680485
Energy: 1.039154429646744
Energy: 1.066237841667156
Energy: 1.0590933752984408
Energy: 1.069284948700871
Energy: 1.1653258828349744
Energy: 0.9829822245375242
Energy: 0.9814602225848282
Energy: 1.1013901131387678
Energy: 1.0796694794161088
Energy: 0.9830216311399261
Energy: 1.1619233847912196
Energy: 1.06547369950882
Energy: 1.0647091170939529
Energy: 1.0675241713356367
Energy: 1.074856535114346
Energy: 1.0668348214970764
Energy: 1.1042011063810564
Energy: 1.1435538024677525
Energy: 1.1417604391617682
Energy: 1.1072031255185508
Energy: 1.1340550080486504
Energy: 1.0630645495554367
Energy: 1.1617102601021516
Energy: 1.0615629568276783
Energy: 1.0136477257097072
Energy: 1.107601121110185
Energy: 1.0658258245630399
Energy: 1.04181773792836
Energy: 1.3868087084334186
Energy: 1.059167139643927
Energy: 0.985183192735201
Energy: 1.0696376470151416
Energy: 1.0149903192179708
Energy: 0.9820054165323384
Energy: 1.2527446012113752
Energy: 0.9845474673195906
Energy: 0.9851855918589351
Energy: 1.2631725646668885
Energy: 1.0581892665506918
Energy: 0.9861949334049098
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Energy: 1.030025003780174
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Energy: 1.1893849895654638
Energy: 1.0339454266641113
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Energy: 1.1577487056070532
Energy: 1.0298864306136322
Energy: 1.096898705045159
Energy: 1.0455692907565275
Energy: 1.0350576920355623
Energy: 1.0429982218399763
Energy: 1.1467150353457864
Energy: 0.9864002968331302
Energy: 0.9788430922507125
Energy: 1.1465396138993953
Energy: 0.9878924309508903
Energy: 0.9790765559485015
Energy: 1.146236601545512
Energy: 1.0608242668826011
Energy: 1.1994379733464908
Energy: 1.0761417650301681
Energy: 1.1140499065498792
Energy: 0.983092388515026
Energy: 1.2539909428846394
Energy: 0.9857543871815352
Energy: 0.9788501286673182
Energy: 1.0564100741386775
Energy: 1.0611210903524548
Energy: 0.9779091138295627
Energy: 1.4961064029708908
Energy: 1.0348301902576453
Energy: 0.9935009185922319
Energy: 1.4974443145853256
Energy: 1.0947320191199996
Energy: 0.9866094020299347
Energy: 1.2589980672589174
Energy: 0.9838976481190087
Energy: 0.9845954619143779
Energy: 1.0931440004509998
Energy: 1.0769312927713748
Energy: 0.9853430602896478
Energy: 1.2433638141958319
Energy: 1.043482992348742
Energy: 1.044039517208353
Energy: 1.0644186328161764
Energy: 1.042585970218812
Energy: 1.0409141610346055
Energy: 1.2975318552717978
Energy: 1.1462946795059255
Energy: 1.0432360367314792
Energy: 1.2997637320443176
Energy: 1.1468267114645903
Energy: 1.0463335425925815
Energy: 1.2436611810219689
Energy: 1.0429831982255544
Energy: 1.0332961707591493
Energy: 1.0900688808760166
Energy: 1.0995535812856532
Energy: 0.9849111510896502
Energy: 1.3690462769929002
Energy: 1.2034645386382758
Energy: 1.3392623794443421
Energy: 1.2376441274161643
Energy: 1.4025099990666465
Energy: 1.2192346518264354
Energy: 1.0629845496382684
Energy: 1.042784694194574
Energy: 1.0328525895185852
Energy: 1.0631962687251841
Energy: 1.0436691294439253
Energy: 0.984302063797636
Energy: 1.0669612529639496
Energy: 1.0632098410135817
Energy: 1.0640194045165063
Energy: 1.067705362499136
Energy: 1.0651208185150853
Energy: 1.0641029611545476
Energy: 1.1455878090252458
Energy: 1.0633055922069263
Energy: 1.0629143676954997
Energy: 1.145480534701992
Energy: 1.0659598322587074
Energy: 1.0639355426336947
Energy: 1.227746978581394
Energy: 1.0472560792249401
Energy: 1.0708191116262784
Energy: 1.413298255607283
Energy: 1.110817617139666
Energy: 0.9873493655998866

minimum gb energy = 0.9761061561680485 eV
minimum distance =  2.45200900072658 Angstroms
sigma value = 41


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

Energy: 1.874403236496331
Energy: 1.3004907609334306
Energy: 1.300213578332549
Energy: 1.8717457702383675
Energy: 1.181613018240491
Energy: 1.469935580402188
Energy: 1.2303719970562377
Energy: 1.1534503446169462
Energy: 1.1700398957498184
Energy: 1.1854427988689273
Energy: 1.180296948026859
Energy: 1.169240154209991
Energy: 1.177795547106553
Energy: 1.181757383068481
Energy: 1.1830087487370817
Energy: 1.1780872005200207
Energy: 1.1822194213347117
Energy: 1.1704892435238698
Energy: 1.1769110353073462
Energy: 1.217513899899091
Energy: 1.2009497742930113
Energy: 1.1768911575922454
Energy: 1.1776312953237487
Energy: 1.1713244738076756
Energy: 1.1800409248705293
Energy: 1.1417416948453658
Energy: 1.1322497758219596
Energy: 1.1798457080946838
Energy: 1.178725583852907
Energy: 1.1717499442880634
Energy: 1.3406005929843918
Energy: 1.1673008596998657
Energy: 1.1374788893428136
Energy: 1.1798296494988696
Energy: 1.1672693533980762
Energy: 1.1806258977528923
Energy: 1.3346559925574712
Energy: 1.1799381223025653
Energy: 1.1770694523920604
Energy: 1.1775675220210022
Energy: 1.1779219179288758
Energy: 1.1715508315239505
Energy: 1.2401116573489206
Energy: 1.171980611939524
Energy: 1.1905220009148079
Energy: 1.2395382998879734
Energy: 1.1723087156235992
Energy: 1.122520829786564
Energy: 1.3341184428186272
Energy: 1.1766381304735982
Energy: 1.1762162850475093
Energy: 1.1497090426719456
Energy: 1.1756466485950963
Energy: 1.1438027938240558
Energy: 1.554299587000478
Energy: 1.188519428205662
Energy: 1.1458194667689532
Energy: 1.1408875070470506
Energy: 1.188274616169507
Energy: 1.1463133288593557
Energy: 1.3343492387706324
Energy: 1.1467001381515476
Energy: 1.145929189031591
Energy: 1.1730218295099206
Energy: 1.1870200813164753
Energy: 1.1439302428809264
Energy: 1.481684592175505
Energy: 1.1196312432539857
Energy: 1.057662966883453
Energy: 1.3002732210434687
Energy: 1.119796711232535
Energy: 1.1482942306775514
Energy: 1.1873083992342273
Energy: 1.1192234167247637
Energy: 1.2654786860074958
Energy: 1.1871809400724451
Energy: 1.1194074990712466
Energy: 1.2183323499160688
Energy: 1.1741194613267587
Energy: 1.143771131498936
Energy: 1.1435609285988007
Energy: 1.1747586293447028
Energy: 1.15552897410126
Energy: 1.1526764349910523
Energy: 1.3035931989273086
Energy: 1.144419381893159
Energy: 1.4314197033413645
Energy: 1.3044027473314932
Energy: 1.1445823364556873
Energy: 1.1912330680248266
Energy: 1.1793857848226796
Energy: 1.1526525580445481
Energy: 1.1715794678495222
Energy: 1.1796983238312058
Energy: 1.1786293846180345
Energy: 1.170115343311702
Energy: 1.8727204984893198
Energy: 1.18492414956937
Energy: 1.1225139927436576
Energy: 1.468474241787972
Energy: 1.3369277461086746
Energy: 1.2195655209755139
Energy: 1.231248518374935
Energy: 1.198501426214307
Energy: 1.2047691282531785
Energy: 1.2264272955986812
Energy: 1.1825572305820813
Energy: 1.0563259789028894
Energy: 1.1762089882350855
Energy: 1.1782199522024774
Energy: 1.180255595179258
Energy: 1.177048332348951
Energy: 1.1773033626801888
Energy: 1.1982759847129867
Energy: 1.1798981687155048
Energy: 1.1797724198677086
Energy: 1.196725491766827
Energy: 1.1789002379173523
Energy: 1.1776799409793839
Energy: 1.1782566988903194
Energy: 1.1795787442625238
Energy: 1.1778292667929375
Energy: 1.1700390691823899
Energy: 1.1796076387724603
Energy: 1.1867250817147346
Energy: 1.1704895417002215
Energy: 1.369671591391667
Energy: 1.1795229821866808
Energy: 1.3631540080005278
Energy: 1.3696759710107955
Energy: 1.362859587722141
Energy: 1.3616816105772531
Energy: 1.3342502263706946
Energy: 1.1761921919178493
Energy: 1.178603087970708
Energy: 1.1794113699271795
Energy: 1.1855596705070277
Energy: 1.1710404952007785
Energy: 1.2396831166722173
Energy: 1.3056087610485347
Energy: 1.307915948549427
Energy: 1.2392792857375021
Energy: 1.3035185383098524
Energy: 1.0933434886646933
Energy: 1.335082747174371
Energy: 1.1748418867471906
Energy: 1.1749680577028554
Energy: 1.1537115429974627
Energy: 1.1726500640513067
Energy: 1.1727680758168122
Energy: 1.3352352378651617
Energy: 1.1469514376739447
Energy: 1.1478021601661081
Energy: 1.173547044515746
Energy: 1.1866641946960526
Energy: 1.1418555376803798
Energy: 1.5519047842634708
Energy: 1.1511554610634662
Energy: 1.1471444534082649
Energy: 1.2699738613039608
Energy: 1.3623102255886586
Energy: 1.1412503692360791
Energy: 1.339990626016492
Energy: 1.0981583163777948
Energy: 1.1385870259586655
Energy: 1.190059668797776
Energy: 1.1201124521985375
Energy: 1.139845400835257
Energy: 1.1878260397914835
Energy: 1.2248478554478528
Energy: 1.2212193603903791
Energy: 1.1872916536194098
Energy: 1.2177156283349
Energy: 1.2184488917867833
Energy: 1.1796606153172684
Energy: 1.1427500583037475
Energy: 1.1390958786876615
Energy: 1.180274587697768
Energy: 1.1431639226680883
Energy: 1.1469392246049046
Energy: 1.1736458701414418
Energy: 1.1510719250474721
Energy: 1.1745080504357674
Energy: 1.1730135275462439
Energy: 1.2874643106261614
Energy: 1.1737992003298496
Energy: 1.3120817021584321
Energy: 1.1783551662228313
Energy: 1.1534110691714423
Energy: 1.1775820302171138
Energy: 1.1769354421597373
Energy: 1.171923647996907
Energy: 1.8648845344849172
Energy: 1.1977312349382896
Energy: 1.0574496697354558
Energy: 1.1016936207487324
Energy: 1.1828318292683933
Energy: 1.0589502354621378

minimum gb energy = 1.0563259789028894 eV
minimum distance =  2.47146772207095 Angstroms
sigma value = 33


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

Energy: 1.3881644655714658
Energy: 1.4186980298380918
Energy: 1.3517627040410276
Energy: 1.392447268531842
Energy: 1.2604910361747739
Energy: 1.3445974291743485
Energy: 1.3099859521893982
Energy: 1.2784151844219602
Energy: 1.242803662408785
Energy: 1.1975007530024482
Energy: 1.2831138735562027
Energy: 1.2437762057709614
Energy: 1.2699998354118323
Energy: 1.276516336735526
Energy: 1.2677325434119349
Energy: 1.2717092880319603
Energy: 1.2831789346251252
Energy: 1.2366363045090656
Energy: 1.2624751396915568
Energy: 1.2417898390372621
Energy: 1.233716530938872
Energy: 1.263701851855466
Energy: 1.2673195619931412
Energy: 1.2351252474050736
Energy: 1.2584695590837043
Energy: 1.234711264944102
Energy: 1.198469470169646
Energy: 1.2574364132156277
Energy: 1.2504904127354992
Energy: 1.2749261708736936
Energy: 1.5681009297290742
Energy: 1.3024625567794914
Energy: 1.2306662602501048
Energy: 1.259612104189644
Energy: 1.3029041852805399
Energy: 1.2061293947715501
Energy: 1.323080459345819
Energy: 1.196289970758049
Energy: 1.197029983334776
Energy: 1.2591454297439422
Energy: 1.210557209821779
Energy: 1.2383121591312563
Energy: 1.374137710655736
Energy: 1.1970542742196861
Energy: 1.2081482458855035
Energy: 1.3775426222279739
Energy: 1.1973809611325832
Energy: 1.1817610420715776
Energy: 1.3371737646655664
Energy: 1.1944816788205197
Energy: 1.1932283990638755
Energy: 1.2093192788655815
Energy: 1.1979252289505011
Energy: 1.1935152157340916
Energy: 1.8446333136361566
Energy: 1.2010340316129722
Energy: 1.2011204528262984
Energy: 1.2774134536156072
Energy: 1.2005614209124038
Energy: 1.201170660283953
Energy: 1.34560250856218
Energy: 1.1996718138009803
Energy: 1.2021301536382978
Energy: 1.2743633187257875
Energy: 1.2100336537208127
Energy: 1.234798281620648
Energy: 1.5879567806921544
Energy: 1.1739198385418734
Energy: 1.1748840988879277
Energy: 1.2812021063818622
Energy: 1.1791867782924934
Energy: 1.1767914119623732
Energy: 1.2847147844316331
Energy: 1.173905056722463
Energy: 1.1745518701126998
Energy: 1.2843339111869225
Energy: 1.1735800390028501
Energy: 1.1789160118409747
Energy: 1.2670734866715456
Energy: 1.2015537612987124
Energy: 1.2367149674357165
Energy: 1.2694693152245131
Energy: 1.2136455060781512
Energy: 1.2356807638672715
Energy: 1.204233033710424
Energy: 1.2860534153796142
Energy: 1.236646611705984
Energy: 1.281645520674828
Energy: 1.2878450314740995
Energy: 1.237603078877589
Energy: 1.2561427783087646
Energy: 1.257967610208345
Energy: 1.2376222889234008
Energy: 1.2118421200597957
Energy: 1.2552014634715807
Energy: 1.240637238122782
Energy: 1.837601663631301
Energy: 1.260146037998404
Energy: 1.4767332642782562
Energy: 1.3016755636671464
Energy: 1.2544224044503987
Energy: 1.1924580140124053
Energy: 1.3116406378758263
Energy: 1.2565114910799555
Energy: 1.2634029946347778
Energy: 1.2474953892264162
Energy: 1.2571850075405966
Energy: 1.1977640825682925
Energy: 1.2658448193330345
Energy: 1.3305965673984617
Energy: 1.1775815260999758
Energy: 1.218087990169051
Energy: 1.3255430562023112
Energy: 1.2360045712683003
Energy: 1.1983087366151253
Energy: 1.3243999331085379
Energy: 1.1759331675116034
Energy: 1.1975719999422227
Energy: 1.3254462689658038
Energy: 1.2362787906005621
Energy: 1.1960547397590262
Energy: 1.2377282171842143
Energy: 1.2386340476586004
Energy: 1.1964770101065163
Energy: 1.2138152034868117
Energy: 1.194605318814323
Energy: 1.4764173079182357
Energy: 1.346403628509007
Energy: 1.2191424946769724
Energy: 1.477633814139376
Energy: 1.3390057955871935
Energy: 1.2547611095747035
Energy: 1.2599800699292236
Energy: 1.278207298851521
Energy: 1.2444841208483366
Energy: 1.2351800721166912
Energy: 1.2747849014406456
Energy: 1.1971468494321713
Energy: 1.390828258379621
Energy: 1.5965269424243966
Energy: 1.5187451364009985
Energy: 1.173992266700519
Energy: 1.5983901775257514
Energy: 1.1766786038779211
Energy: 1.3112554758316022
Energy: 1.2803092981914446
Energy: 1.2445108990993687
Energy: 1.1836111238608615
Energy: 1.2802371082962365
Energy: 1.2407415363953687
Energy: 1.2635336910496702
Energy: 1.2671875489562332
Energy: 1.2360478323461455
Energy: 1.2658774311750929
Energy: 1.2788065065664846
Energy: 1.2373031505301637
Energy: 1.2687703757570872
Energy: 1.23876628896203
Energy: 1.261461141149226
Energy: 1.270059295910699
Energy: 1.2666112963540268
Energy: 1.233393392901448
Energy: 1.2585659246850516
Energy: 1.1952980553008026
Energy: 1.1959114959910675
Energy: 1.258102028676817
Energy: 1.2481843464054785
Energy: 1.2420662897622126
Energy: 1.5783589324266125
Energy: 1.2298029316595531
Energy: 1.206654330804265
Energy: 1.5789662318799569
Energy: 1.2307428998702894
Energy: 1.206181587099906
Energy: 1.3272314557661322
Energy: 1.1947444460209578
Energy: 1.1954763760158544
Energy: 1.258807148237204
Energy: 1.2381314743314487
Energy: 1.2419597060319028
Energy: 1.3741959082587138
Energy: 1.216642585822738
Energy: 1.1871733537700204
Energy: 1.3777744958020472
Energy: 1.2541740005214277
Energy: 1.186403348135222
Energy: 1.3245868637082356
Energy: 1.1954397748824457
Energy: 1.1946627619811907
Energy: 1.2578803124602054
Energy: 1.199975320191336
Energy: 1.197390531989512
Energy: 1.3395741808814356
Energy: 1.1969225175086189
Energy: 1.1978328163294774
Energy: 1.2735169200369272
Energy: 1.1974505916495024
Energy: 1.1962848110038646
Energy: 1.3387515274730963
Energy: 1.2373958270273113
Energy: 1.2023546517760124
Energy: 1.2736858006113676
Energy: 1.2111841480793217
Energy: 1.2377616322578273
Energy: 1.3566333216256292
Energy: 1.1743466007608923
Energy: 1.1762046702115116
Energy: 1.2827064268967925
Energy: 1.1816777554658324
Energy: 1.2399546488545177
Energy: 1.2838588570425673
Energy: 1.1750414403805465
Energy: 1.1771884292516988
Energy: 1.2848926187786014
Energy: 1.1735961070466903
Energy: 1.1764246289666263
Energy: 1.271014065087593
Energy: 1.1994081304980937
Energy: 1.2412448677779415
Energy: 1.2707266819684337
Energy: 1.197595600846064
Energy: 1.2415691425460282
Energy: 1.195139222227594
Energy: 1.2811355304594092
Energy: 1.2372996987981812
Energy: 1.1959651991524765
Energy: 1.2870994177580521
Energy: 1.2532617451773018
Energy: 1.2692010845854815
Energy: 1.2596469910620014
Energy: 1.2396990012764117
Energy: 1.3026076386415018
Energy: 1.257979047290519
Energy: 1.2355834913945511
Energy: 1.3115158147823305
Energy: 1.2692085467821046
Energy: 1.268227475308523
Energy: 1.2505793757222181
Energy: 1.2663788520169943
Energy: 1.1924639111875948
Energy: 1.311486484794831
Energy: 1.264812707328423
Energy: 1.3091705581658577
Energy: 1.2507115252839078
Energy: 1.269601415296115
Energy: 1.1996378753941739
Energy: 1.2663970074089708
Energy: 1.3215575544893117
Energy: 1.1746928640731598
Energy: 1.2124698611896438
Energy: 1.3155904501266686
Energy: 1.2371417581952935
Energy: 1.202849351502167
Energy: 1.3119093215248139
Energy: 1.1769315900374686
Energy: 1.2055692404813212
Energy: 1.3142393461997253
Energy: 1.1779370464421248
Energy: 1.194778397369627
Energy: 1.2128668465021775
Energy: 1.1981257355533572
Energy: 1.195577840945636
Energy: 1.2108307352080963
Energy: 1.1938677608882085
Energy: 1.2167397066871235
Energy: 1.3466997499099103
Energy: 1.2554258510833864
Energy: 1.218719321785563
Energy: 1.3437136981034739
Energy: 1.2522402412379028
Energy: 1.2556447045999395
Energy: 1.2679701567851438
Energy: 1.2402235082049893
Energy: 1.209490425683253
Energy: 1.2706954890428723
Energy: 1.199060605537017
Energy: 2.310140186306942
Energy: 1.2802430950341823
Energy: 1.1766914017009602
Energy: 1.2533447876555432
Energy: 1.594636290400824
Energy: 1.1772747130421801

minimum gb energy = 1.1735800390028501 eV
minimum distance =  2.47717227989091 Angstroms
sigma value = 67


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

Energy: 1.5557420278954197
Energy: 1.1541406804994545
Energy: 1.1548755216832178
Energy: 1.5602580096747416
Energy: 1.3494258772605061
Energy: 1.1558325302055232
Energy: 1.4665077807974078
Energy: 1.0850381348070677
Energy: 1.083688691458464
Energy: 1.0846448560159507
Energy: 1.2454019971475818
Energy: 1.0841029800838575
Energy: 1.2570722882367957
Energy: 1.001174136920929
Energy: 1.0868548421953215
Energy: 1.255766413535885
Energy: 1.0011230712597736
Energy: 1.085277262732464
Energy: 1.2497361044261261
Energy: 1.0842997475880516
Energy: 1.0849418556095949
Energy: 1.250200987319277
Energy: 1.2527306088584185
Energy: 1.085197704757146
Energy: 1.2504141367085666
Energy: 1.085982622388147
Energy: 1.0855146299405574
Energy: 1.2503512562280432
Energy: 1.2503512739051268
Energy: 1.0868300488432936
Energy: 1.2518608638875697
Energy: 1.0778780178811072
Energy: 1.0830120889859518
Energy: 1.2516340954426561
Energy: 1.0772237862558642
Energy: 1.2486510286946821
Energy: 1.4663918355046828
Energy: 1.0855382503591355
Energy: 1.0847603987801375
Energy: 1.0022806358026448
Energy: 1.245647334995686
Energy: 1.0847931398179265

minimum gb energy = 1.0011230712597736 eV
minimum distance =  2.56144057489605 Angstroms
sigma value = 3


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

Energy: 2.0095323823834677
Energy: 1.5743639424398927
Energy: 1.4582136923461304
Energy: 1.5696007560322347
Energy: 1.6129616629945243
Energy: 1.4584673811478508
Energy: 1.2179291124103089
Energy: 1.2989214515795557
Energy: 1.2365962157677222
Energy: 1.3152716335526284
Energy: 1.3813512121969715
Energy: 1.2334502238858795
Energy: 1.2386372724213544
Energy: 1.2190966358149635
Energy: 1.2186278005613684
Energy: 1.23604405599006
Energy: 1.2186287018644373
Energy: 1.23764966118325
Energy: 1.2345015851118388
Energy: 1.2369663908270911
Energy: 1.2354323769353677
Energy: 1.234681342984185
Energy: 1.3748709582368746
Energy: 1.235783213584656
Energy: 1.2345200141715977
Energy: 1.2696304060232149
Energy: 1.235326437903983
Energy: 1.234709121765382
Energy: 1.3992666227637276
Energy: 1.2349123589966793
Energy: 1.234387238946211
Energy: 1.269022626764426
Energy: 1.2704035375921765
Energy: 1.2352475821338702
Energy: 1.3994703099423036
Energy: 1.2377759556284644
Energy: 1.2338742201905815
Energy: 1.3792768029066962
Energy: 1.2745469573137027
Energy: 1.387402513868293
Energy: 1.3805884287930676
Energy: 1.2717356528172064
Energy: 1.8784822816936955
Energy: 1.3784016432470096
Energy: 1.3917576590738938
Energy: 1.2330514557833792
Energy: 1.4821991832149972
Energy: 1.3924329115912535
Energy: 1.2361715128815918
Energy: 1.3777654837177007
Energy: 1.2721884678374409
Energy: 1.3825181386337917
Energy: 1.3798870422743457
Energy: 1.2693795459296362
Energy: 1.2326404250757388
Energy: 1.2488661215184358
Energy: 1.2485831967915983
Energy: 1.3155523300990093
Energy: 1.249565497274643
Energy: 1.2180067935538192
Energy: 1.3861431824441923
Energy: 1.2227213848661487
Energy: 1.2168727126402092
Energy: 1.3865347940680735
Energy: 1.3739152957927059
Energy: 1.2773676340677678
Energy: 1.3800537615595274
Energy: 1.316651517282875
Energy: 1.3007324699342322
Energy: 1.3797257360286115
Energy: 1.2340804450133802
Energy: 1.2700065093474697
Energy: 1.3780257021573008
Energy: 1.234955228627578
Energy: 1.2357094854026474
Energy: 1.3781958759265145
Energy: 1.2356810518586647
Energy: 1.2369118659929967
Energy: 1.3806397917726478
Energy: 1.2356527321198933
Energy: 1.2365795633230685
Energy: 1.3813555980958034
Energy: 1.2363342597235887
Energy: 1.236291823406087
Energy: 1.3756342859032311
Energy: 1.2414139512629094
Energy: 1.2392021310441792
Energy: 1.3419276983041213
Energy: 1.2396315555151411
Energy: 1.2388635249699569
Energy: 1.3825113482203766
Energy: 1.2338463041065164
Energy: 1.2341017365822535
Energy: 1.3814262686556298
Energy: 1.3156688218550339
Energy: 1.23335682350326
Energy: 1.6078951650485644
Energy: 1.2316580831981812
Energy: 1.310703080504717
Energy: 1.6080405673255505
Energy: 1.2331164811966828
Energy: 1.3148051722382497
Energy: 1.3143178107332718
Energy: 1.267392946753482
Energy: 1.2337265422200323
Energy: 1.379275178274286
Energy: 1.376643508461874
Energy: 1.2336278706159869
Energy: 1.3800163999026842
Energy: 1.3155866508855634
Energy: 1.236804687667145
Energy: 1.3828540136343328
Energy: 1.3931733856810529
Energy: 1.248402554880038
Energy: 1.372289880444592
Energy: 1.3163107188725873
Energy: 1.2366385233443735
Energy: 1.2981610008944293
Energy: 1.3202968044402774
Energy: 1.2489955775389185
Energy: 1.315015592585206
Energy: 1.3143258770991784
Energy: 1.2324792890462102
Energy: 1.3152266989334205
Energy: 1.3148862949254694
Energy: 1.2349022994021093
Energy: 1.3143400310355926
Energy: 1.3645402117518783
Energy: 1.4410327321056366
Energy: 1.3150869616730412
Energy: 1.366305076032186
Energy: 1.3050029742064053
Energy: 1.3133954580634646
Energy: 1.2989557361610686
Energy: 1.233489725275047
Energy: 1.3161323510476182
Energy: 1.3842023582930951
Energy: 1.235066090613482
Energy: 1.3197676033686148
Energy: 1.2330130692515697
Energy: 1.2341677886603157
Energy: 1.3202719872903277
Energy: 1.234030077578938
Energy: 1.3264915300863105
Energy: 1.2333110340646167
Energy: 1.233755185695608
Energy: 1.234157399116723
Energy: 1.3282017619037632
Energy: 1.382608830820001
Energy: 1.2346788932372814
Energy: 1.3831350291595026
Energy: 1.2999599046974715
Energy: 1.409419835044764
Energy: 1.3719415323299866
Energy: 1.3980629253619943
Energy: 1.2166722203330884
Energy: 1.2520667067856242
Energy: 1.298545246488705
Energy: 1.3803173042012096
Energy: 1.3719499187804565
Energy: 1.3798137966262207
Energy: 1.216253397280267
Energy: 1.2340433707272331
Energy: 1.2335783855342335
Energy: 1.2348581029215737
Energy: 1.3631174668725816
Energy: 1.3789679420438914
Energy: 1.2346355461454734
Energy: 1.235321276829304
Energy: 1.2207865117131838
Energy: 1.2209014222939027
Energy: 1.235764441368022
Energy: 1.2202512886080132
Energy: 1.2395494208338518
Energy: 1.2354375231483534
Energy: 1.2701803185547764
Energy: 1.2346226939831064
Energy: 1.2344772970165192
Energy: 1.3801632136002198
Energy: 1.2346200478594325
Energy: 1.2335483621790375
Energy: 1.373590748532257
Energy: 1.235585844037217
Energy: 1.2346597138030635
Energy: 1.3009297171515
Energy: 1.2376842396271484
Energy: 1.2341716292140177
Energy: 1.380981236778214
Energy: 1.271176960249612
Energy: 1.2670864092156389
Energy: 1.3817236352976305
Energy: 1.2719493124696095
Energy: 1.3761577397029199
Energy: 1.4600712660509303
Energy: 1.2372260498127858
Energy: 1.3585656499781094
Energy: 1.459512129734092
Energy: 1.233157743489805
Energy: 1.3135290007612763
Energy: 1.3796141079681985
Energy: 1.2994433823420477
Energy: 1.3757877580966116
Energy: 1.3951941781961579
Energy: 1.268917019714326
Energy: 1.2339038192043266
Energy: 1.225250386516034
Energy: 1.216656710755576
Energy: 1.333198725455451
Energy: 1.373797385769904
Energy: 1.2780168513700274
Energy: 1.3818281765056153
Energy: 1.2489008460706434
Energy: 1.2485545868858505
Energy: 1.382472640967864
Energy: 1.2493173666745143
Energy: 1.2983408731452246
Energy: 1.3793948028979865
Energy: 1.2988498268993223
Energy: 1.2737901666545157
Energy: 1.3814979941409329
Energy: 1.3816783070835534
Energy: 1.2684721056210377
Energy: 1.5416097105057731
Energy: 1.2409987422648605
Energy: 1.23634345108557
Energy: 1.5441874535571394
Energy: 1.2371107970891926
Energy: 1.463934949593852
Energy: 1.3832103872057202
Energy: 1.2349562726455545
Energy: 1.2349425025924328
Energy: 1.3817301809952007
Energy: 1.236265425792768
Energy: 1.2349385350435513
Energy: 1.3756820304176653
Energy: 1.2378100333450537
Energy: 1.2384257340696407
Energy: 1.311036945513545
Energy: 1.237015221423512
Energy: 1.2391104993002748
Energy: 1.3834642458167452
Energy: 1.2362265977604334
Energy: 1.235961775080264
Energy: 1.383371009791306
Energy: 1.2789719645105
Energy: 1.236229573495242
Energy: 1.3788605121785045
Energy: 1.2668672616899606
Energy: 1.2654108398609514
Energy: 1.3801665980042919
Energy: 1.2971098403351915
Energy: 1.234672903888993
Energy: 1.3831860596446028
Energy: 1.232604454446131
Energy: 1.2326546226455735
Energy: 1.4628133253708266
Energy: 1.2328405554741775
Energy: 1.2350639205317222
Energy: 1.3149561696627325
Energy: 1.31490360312213
Energy: 1.2349956568546672
Energy: 1.3818139983750244
Energy: 1.3150976127833218
Energy: 1.2337263705245083
Energy: 1.7477988037822747
Energy: 1.3250661676048048
Energy: 1.246051393991548
Energy: 1.309490165086303
Energy: 1.321875138122735
Energy: 1.2470495530229877
Energy: 1.3149423542662868
Energy: 1.314719279558784
Energy: 1.2348012135226245
Energy: 1.3799860496198366
Energy: 1.3148601113583314
Energy: 1.2326324826704662
Energy: 1.3160661502526076
Energy: 1.2332209691059213
Energy: 1.2351735845363818
Energy: 1.3179761096422826
Energy: 1.3150646706281588
Energy: 1.3627424744687033
Energy: 1.3149148130843737
Energy: 1.2986958941347269
Energy: 1.2369173427602544
Energy: 1.3151444471029106
Energy: 1.3160426285923907
Energy: 1.2323065846876096
Energy: 1.3193828807441006
Energy: 1.2338020124629188
Energy: 1.23616305340783
Energy: 1.3201804331712612
Energy: 1.3763050634100162
Energy: 1.236458281803889
Energy: 1.236093246130731
Energy: 1.2323995787729656
Energy: 1.2332431760338842
Energy: 1.2371616410617012
Energy: 1.3583471605585538
Energy: 1.2368282379473847
Energy: 1.2170282753352792
Energy: 1.2991335765063687
Energy: 1.236536582888932
Energy: 1.3937136581462581
Energy: 1.3792176759116106
Energy: 1.2330578426339183

minimum gb energy = 1.216253397280267 eV
minimum distance =  2.51245844468557 Angstroms
sigma value = 81


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

Energy: 2.026577879641188
Energy: 1.2989828490859006
Energy: 1.2990243837610196
Energy: 1.2996504893760346
Energy: 1.4071601019905469
Energy: 1.2997255407900297
Energy: 1.2015033513695599
Energy: 1.2234458481560628
Energy: 1.2856408915759967
Energy: 1.2207950774897758
Energy: 1.2236624080305878
Energy: 1.2825397928958497
Energy: 1.2215396674002374
Energy: 1.204105376143153
Energy: 1.2046772623539383
Energy: 1.3653775049085481
Energy: 1.2050267025369812
Energy: 1.2823787741101447
Energy: 1.2154077494201563
Energy: 1.2049289385616697
Energy: 1.2172876884296697
Energy: 1.2160654864839198
Energy: 1.2043085103888145
Energy: 1.21594242901349
Energy: 1.2188143765657293
Energy: 1.2835125653730668
Energy: 1.2225672240742125
Energy: 1.2195892181049612
Energy: 1.288787069206311
Energy: 1.2218670437391244
Energy: 1.362157861210409
Energy: 1.284585962235159
Energy: 1.282170574617693
Energy: 1.3623716599771758
Energy: 1.290342583947984
Energy: 1.28408101315589
Energy: 1.2110725971545726
Energy: 1.2230564985845636
Energy: 1.2850017795790587
Energy: 1.2203146225371202
Energy: 1.22282994489499
Energy: 1.287314407027757
Energy: 1.6962814905784365
Energy: 1.4081009674124674
Energy: 1.4974040697428461
Energy: 1.267890682992713
Energy: 1.4063151749552203
Energy: 1.3584440428751572
Energy: 1.21736529600478
Energy: 1.221055677298547
Energy: 1.2838194578391733
Energy: 1.2199598391433009
Energy: 1.220478737574418
Energy: 1.2797806067800421
Energy: 1.3693757230943755
Energy: 1.2081638443283937
Energy: 1.205724353637636
Energy: 1.3697558733800725
Energy: 1.2088642958458122
Energy: 1.205414601792374
Energy: 1.223606645589545
Energy: 1.2025133950949223
Energy: 1.2027535266733915
Energy: 1.22450431565729
Energy: 1.2018234851632483
Energy: 1.2829191122430412
Energy: 1.2027823746126378
Energy: 1.2224687723900558
Energy: 1.28639017258965
Energy: 1.2026353827958922
Energy: 1.2261344030901329
Energy: 1.2844563826574746
Energy: 1.201574648766656
Energy: 1.219989105623441
Energy: 1.2178108487873731
Energy: 1.2066671578632986
Energy: 1.2211363996792866
Energy: 1.2731574404002535
Energy: 1.2248462082522682
Energy: 1.2171088800591654
Energy: 1.2177854875744536
Energy: 1.2231700667176966
Energy: 1.2174821569978196
Energy: 1.2177673023719986
Energy: 1.2243851967999322
Energy: 1.213231795867762
Energy: 1.2198030965691602
Energy: 1.2821008151541922
Energy: 1.214827060689243
Energy: 1.3865357623294243
Energy: 1.222650806772759
Energy: 1.2203346906731105
Energy: 1.282076074689878
Energy: 1.2214281610146331
Energy: 1.2222510201660415
Energy: 1.280773443064559
Energy: 1.4895748074183561
Energy: 1.2694896875727377
Energy: 1.1999470919722985
Energy: 1.490938152685248
Energy: 1.268136014540449
Energy: 1.314687135783931
Energy: 1.219504081143376
Energy: 1.2203612413391969
Energy: 1.2848034105118489
Energy: 1.2227552501360899
Energy: 1.2200340042485711
Energy: 1.2853858037645722
Energy: 1.2015126994788798
Energy: 1.2220725364779403
Energy: 1.2047816074327908
Energy: 1.202497583969315
Energy: 1.3617969826406109
Energy: 1.204688425837999
Energy: 1.201882963793182
Energy: 1.2209333745242865
Energy: 1.2064994869889005
Energy: 1.2031273575810397
Energy: 1.2242560665996651
Energy: 1.2067244434106505
Energy: 1.2205226467299222
Energy: 1.22064895522973
Energy: 1.2831835822206845
Energy: 1.2227045600665902
Energy: 1.2187739128195536
Energy: 1.2854239099084621
Energy: 1.2217352469846336
Energy: 1.3804591799132409
Energy: 1.4562902130523985
Energy: 1.2177530171331052
Energy: 1.3862962194126436
Energy: 1.3418445656753684
Energy: 1.2143349308407292
Energy: 1.2161623950868659
Energy: 1.2149452517119725
Energy: 1.2142783440428182
Energy: 1.219038087434848
Energy: 1.2131123369046612
Energy: 1.215983074596094
Energy: 1.2823006885773882
Energy: 1.2158343816420376
Energy: 1.2148828012378405
Energy: 1.28276272397379
Energy: 1.215105620827477
Energy: 1.2155515155567589
Energy: 1.2848097867161072
Energy: 1.282711381982836
Energy: 1.2260255751918705
Energy: 1.220904306709121
Energy: 1.2845289713133312
Energy: 1.2084098384286794
Energy: 1.2224481627909296
Energy: 1.2852871849718992
Energy: 1.2680541907690803
Energy: 1.2205516219318733
Energy: 1.2859678892341129
Energy: 1.207834488643717
Energy: 1.2242584129481797
Energy: 1.286320899522845
Energy: 1.2075551909128226
Energy: 1.225718305204015
Energy: 1.2840186960049524
Energy: 1.2156047261023204
Energy: 1.2021377726461069
Energy: 1.2856897321563399
Energy: 1.2244790294967538
Energy: 1.2018876572110695
Energy: 1.2887438585049715
Energy: 1.2323435587373137
Energy: 1.2099763264000953
Energy: 1.203436824547006
Energy: 1.2242929389823096
Energy: 1.2052252581047123
Energy: 1.204316516488005
Energy: 1.2200344552740718
Energy: 1.2228344610310116
Energy: 1.2823303337446856
Energy: 1.222735029714291
Energy: 1.2198399821501285
Energy: 1.2795688650155337
Energy: 1.2029718814303785
Energy: 1.3370078505400385
Energy: 1.3446607949237488
Energy: 1.2031588490433558
Energy: 1.2199867606289647
Energy: 1.275483961342404
Energy: 1.2219766399815075
Energy: 1.2118751932829346
Energy: 1.211963748031276
Energy: 1.2213064306542951
Energy: 1.2118736842505826
Energy: 1.213006568163884
Energy: 1.2246036251127235
Energy: 1.2169718096442574
Energy: 1.2131132309552757
Energy: 1.2204738876896501
Energy: 1.2191392289205587
Energy: 1.2132739070032983
Energy: 1.221446889873539
Energy: 1.2207464399458026
Energy: 1.2822176042585545
Energy: 1.223439370534129
Energy: 1.2231038605744273
Energy: 1.2845408307803168
Energy: 1.2270240643065988
Energy: 1.2855874140782284
Energy: 1.2832601988722567
Energy: 1.2273708051793117
Energy: 1.2670504146217159
Energy: 1.2847427000813418
Energy: 1.406470271491538
Energy: 1.270317670297956
Energy: 1.2680083346377062
Energy: 1.4082422452149401
Energy: 1.267409141638722
Energy: 1.2832601215246064
Energy: 1.2146509470322642
Energy: 1.2233180704417836
Energy: 1.2844851586682247
Energy: 1.2207724618330846
Energy: 1.2243324872566743
Energy: 1.2807085865362704
Energy: 1.2030349780264729
Energy: 1.2146445943198287
Energy: 1.2995799085218152
Energy: 1.2028220631069628
Energy: 1.2129335791704547
Energy: 1.300491997752319

minimum gb energy = 1.1999470919722985 eV
minimum distance =  2.53818433757335 Angstroms
sigma value = 43


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

Energy: 2.1754330567651516
Energy: 1.6235654743443813
Energy: 1.4904851920311697
Energy: 1.4912174554013287
Energy: 1.570281377282864
Energy: 1.3875955533583801
Energy: 1.2501713839168627
Energy: 1.3548413793955099
Energy: 1.3590779131183097
Energy: 1.3629170516503168
Energy: 1.3547860156338996
Energy: 1.2816375191254143
Energy: 1.283916240565214
Energy: 1.2492517444413251
Energy: 1.2493355277145288
Energy: 1.3415598050527595
Energy: 1.2486671805029925
Energy: 1.2850073551904106
Energy: 1.2839677154701352
Energy: 1.2493419076601755
Energy: 1.2838833769750437
Energy: 1.2841600667301174
Energy: 1.3358453834639656
Energy: 1.2841066104227816
Energy: 1.282365151427569
Energy: 1.2828962224772917
Energy: 1.3305211599366717
Energy: 1.2826755634619096
Energy: 1.2829155746149141
Energy: 1.2828386572986665
Energy: 1.2823812416822833
Energy: 1.2824098243724906
Energy: 1.282071588287657
Energy: 1.2821633090328983
Energy: 1.2820315686455952
Energy: 1.3297861372377209
Energy: 1.3528383439047051
Energy: 1.2813973414897613
Energy: 1.2814919384759105
Energy: 1.352761394945963
Energy: 1.281117642434252
Energy: 1.2818092424030985
Energy: 1.4249000215058065
Energy: 1.2841157447881653
Energy: 1.2834802026411565
Energy: 1.2385282327695302
Energy: 1.2847666751092373
Energy: 1.2840489585514991
Energy: 1.3532669960174561
Energy: 1.2814444184541602
Energy: 1.281924311607007
Energy: 1.3535869985805613
Energy: 1.3618657078631993
Energy: 1.281557395300648
Energy: 1.2716222366585137
Energy: 1.278111629067984
Energy: 1.2785595443118791
Energy: 1.271774470357423
Energy: 1.2773403480806962
Energy: 1.2777235899115313
Energy: 1.242446186250689
Energy: 1.2377304204169013
Energy: 1.3290138831979066
Energy: 1.270572648632093
Energy: 1.352021053155423
Energy: 1.3530486590592248
Energy: 1.438867834642842
Energy: 1.2840666151489708
Energy: 1.2831213827236672
Energy: 1.248559919278611
Energy: 1.3588148321943694
Energy: 1.2830599686948263
Energy: 1.4385166669829665
Energy: 1.359062350536254
Energy: 1.3109572488812202
Energy: 1.2271460591753955
Energy: 1.361804763951409
Energy: 1.3110779421085945
Energy: 1.2427898067246141
Energy: 1.2818290422992928
Energy: 1.2818752779706186
Energy: 1.2712520481714362
Energy: 1.3631207560828613
Energy: 1.3551792199858783
Energy: 1.2438395728808092
Energy: 1.3805403625463268
Energy: 1.2421376963636206
Energy: 1.2425050726706373
Energy: 1.3079686871982668
Energy: 1.241688510805575
Energy: 1.242792799799712
Energy: 1.2426639426912303
Energy: 1.241802320469584
Energy: 1.241988326525875
Energy: 1.3619934874902266
Energy: 1.2413833937340684
Energy: 1.2438308983092885
Energy: 1.243611348501074
Energy: 1.2435608580542303
Energy: 1.2439765176880644
Energy: 1.3483173071838732
Energy: 1.2432480558069723
Energy: 1.2426208979194044
Energy: 1.24220370842173
Energy: 1.3321299421013517
Energy: 1.421925889578128
Energy: 1.4316173633955054
Energy: 1.2427995843212043
Energy: 1.3501751411389693
Energy: 1.4302464395714714
Energy: 1.2436987373832646
Energy: 1.3524298283810867
Energy: 1.4302273206366578
Energy: 1.2786847529690832
Energy: 1.348043657169902
Energy: 1.3431414004878743
Energy: 1.2435638844299595
Energy: 1.3530415140424399
Energy: 1.4211274453602425
Energy: 1.279016377191973
Energy: 1.242935755230984
Energy: 1.3226294121518198
Energy: 1.333142797558849
Energy: 1.4126450385208362
Energy: 1.4420092657603654
Energy: 1.2422382835840153
Energy: 1.5373484716579289
Energy: 1.3056807921733362
Energy: 1.3062265694500648
Energy: 1.5374145011820959
Energy: 1.248112992554491
Energy: 1.4373002399061041
Energy: 1.4281272612412756
Energy: 1.241846469408575
Energy: 1.242631217793896
Energy: 1.4294715997274914
Energy: 1.430505047269295
Energy: 1.2419537844942394
Energy: 1.4113605295363
Energy: 1.3671992141860614
Energy: 1.243961361813265
Energy: 1.3299352678368184
Energy: 1.2434210974547677
Energy: 1.2434651701432333
Energy: 1.4330435524054153
Energy: 1.2431723370535488
Energy: 1.2435615102510387
Energy: 1.4324086100706037
Energy: 1.2431141295509007
Energy: 1.2440096364156306
Energy: 1.3623412784022308
Energy: 1.243537143433032
Energy: 1.243251734552516
Energy: 1.362642147368714
Energy: 1.2435502461182226
Energy: 1.2426978507553554
Energy: 1.3641809538224845
Energy: 1.2703694347999384
Energy: 1.2430446329101206
Energy: 1.3625734323735408
Energy: 1.281046189121955
Energy: 1.2430882551236146
Energy: 1.360021906799797
Energy: 1.3612551085496165
Energy: 1.2818397562081647
Energy: 1.3608611320330122
Energy: 1.3531682976208304
Energy: 1.282117755307543
Energy: 1.3710095685398966
Energy: 1.2803319253682943
Energy: 1.2801160509256955
Energy: 1.3704687601405934
Energy: 1.2376340829371733
Energy: 1.279423773208628
Energy: 1.2834890207060197
Energy: 1.3542239224004864
Energy: 1.3543461733921411
Energy: 1.3631258524730803
Energy: 1.3539144949109858
Energy: 1.2817722964267926
Energy: 1.2470936897941687
Energy: 1.2717819110895507
Energy: 1.4247713663807269
Energy: 1.2680907222984261
Energy: 1.2415572508133796
Energy: 1.2478283618034605

minimum gb energy = 1.2271460591753955 eV
minimum distance =  2.51131472868523 Angstroms
sigma value = 57


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

Energy: 1.5739646468576085
Energy: 1.3858732239602058
Energy: 1.385731324915663
Energy: 1.576217374899135
Energy: 1.4077267001143097
Energy: 1.3857638843166626
Energy: 1.1875491269174567
Energy: 1.2970225021717359
Energy: 1.2964823948467235
Energy: 1.2961924248291454
Energy: 1.2977917421698681
Energy: 1.2729504610019267
Energy: 1.390866472393459
Energy: 1.1903247827517698
Energy: 1.1898112736207134
Energy: 1.3464789892835476
Energy: 1.3432518549872152
Energy: 1.188962920347098
Energy: 1.2801589153905297
Energy: 1.188801373109987
Energy: 1.1879622347248733
Energy: 1.2752139241943976
Energy: 1.3438970372762171
Energy: 1.2759263098897995
Energy: 1.2754400710282785
Energy: 1.263586502143657
Energy: 1.2633726685248232
Energy: 1.2756255164001138
Energy: 1.2770919616327103
Energy: 1.2630981449946144
Energy: 1.3842868977778284
Energy: 1.264136184198448
Energy: 1.2640955588967562
Energy: 1.418716396677535
Energy: 1.2746015764553922
Energy: 1.2638626874291052
Energy: 1.2988211024353749
Energy: 1.2732452193921757
Energy: 1.2744956714190352
Energy: 1.2955646390290272
Energy: 1.2750590059072524
Energy: 1.2747425400230326
Energy: 1.3082701150040141
Energy: 1.2784410920230855
Energy: 1.34592387740727
Energy: 1.2519572225615385
Energy: 1.2765397173360378
Energy: 1.3450752344463015
Energy: 1.2957181265447286
Energy: 1.276073447574534
Energy: 1.2761553608018676
Energy: 1.2957760885459209
Energy: 1.2962906417364097
Energy: 1.2772815850952648
Energy: 1.2978336653274118
Energy: 1.266269721730708
Energy: 1.2664650737292151
Energy: 1.297307633104057
Energy: 1.2675599562785191
Energy: 1.2653354439160514
Energy: 1.4370263226679751
Energy: 1.3076459652560197
Energy: 1.274105361533019
Energy: 1.298608684119952
Energy: 1.3202136147973271
Energy: 1.2749610960074458
Energy: 1.1888561493595553
Energy: 1.2986940384479513
Energy: 1.297926074272754
Energy: 1.1874339303291033
Energy: 1.2970102598709237
Energy: 1.3417836472873426
Energy: 1.1877800677920127
Energy: 1.2973682694718423
Energy: 1.3432967805768934
Energy: 1.1878017949863875
Energy: 1.297551572677225
Energy: 1.3432216213923491
Energy: 1.4304447741315156
Energy: 1.295130789134936
Energy: 1.2784263872834936
Energy: 1.2969680741052867
Energy: 1.295449623545435
Energy: 1.2745158133643535
Energy: 1.2775939546861625
Energy: 1.297973654211795
Energy: 1.3012996302955409
Energy: 1.2778478940745366
Energy: 1.188056653950977
Energy: 1.298979466672506
Energy: 1.2744842557325409
Energy: 1.2652912200698538
Energy: 1.2656044599660712
Energy: 1.2761800706317872
Energy: 1.296816297090919
Energy: 1.2748593932152852
Energy: 1.27536785948908
Energy: 1.26299776916451
Energy: 1.2637044924427177
Energy: 1.2758366330922737
Energy: 1.2645129661532235
Energy: 1.26374893447941
Energy: 1.2748776256052783
Energy: 1.2787057967754214
Energy: 1.2627207460639591
Energy: 1.275579914295305
Energy: 1.2776064829452205
Energy: 1.264424870881704
Energy: 1.297755569308055
Energy: 1.276585440987512
Energy: 1.2769361866938365
Energy: 1.2971106784138313
Energy: 1.2762954716595123
Energy: 1.276887079928142
Energy: 1.2964300954114103
Energy: 1.2767450346917573
Energy: 1.27650575747341
Energy: 1.2967833430306244
Energy: 1.2989634821682468
Energy: 1.276640370553485
Energy: 1.2983857847189217
Energy: 1.273893942897795
Energy: 1.2740989829658456
Energy: 1.2983352167420676
Energy: 1.296331438799596
Energy: 1.2759714693083506
Energy: 1.4228292127054933
Energy: 1.3354404866194933
Energy: 1.335702966931027
Energy: 1.423556100640011
Energy: 1.335165496395664
Energy: 1.3352058944036918
Energy: 1.4313084533710856
Energy: 1.2955453065501643
Energy: 1.2788898886293962
Energy: 1.2979424470262895
Energy: 1.2951232961053136
Energy: 1.2767674840243683
Energy: 1.1877187259677304
Energy: 1.2981847075731248
Energy: 1.3435812199438368
Energy: 1.1875650697220486
Energy: 1.2989048833292975
Energy: 1.343390583881371

minimum gb energy = 1.1874339303291033 eV
minimum distance =  2.50170859320703 Angstroms
sigma value = 17


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

Energy: 1.182369417869756
Energy: 1.6628277493199706
Energy: 1.6613175894051562
Energy: 1.3611286198902062
Energy: 1.4703173086886872
Energy: 1.360327291217284
Energy: 1.433764846893284
Energy: 1.2343059950279993
Energy: 1.2346166470107256
Energy: 1.2086199766368269
Energy: 1.2076752998293412
Energy: 1.3298979949046794
Energy: 1.3450775303021916
Energy: 1.2479319979367398
Energy: 1.24757920289174
Energy: 1.361073402446206
Energy: 1.1595457405332041
Energy: 1.2477235821997328
Energy: 1.2351555362484783
Energy: 1.2593700047270588
Energy: 1.2576087213755966
Energy: 1.2359245280137872
Energy: 1.1592505116327596
Energy: 1.2349761285971848
Energy: 1.2346921160467714
Energy: 1.2077178608135763
Energy: 1.2052742888840762
Energy: 1.2333410605511375
Energy: 1.357675039419477
Energy: 1.204990766240482
Energy: 1.2494992060574226
Energy: 1.2061237202121518
Energy: 1.205648251794305
Energy: 1.159960664519037
Energy: 1.208094731447904
Energy: 1.1568525469951925
Energy: 1.2093089354527327
Energy: 1.208680082615094
Energy: 1.2083010292434466
Energy: 1.2069394229889683
Energy: 1.2084191919408962
Energy: 1.208866509302397
Energy: 1.2073651020397669
Energy: 1.2876963644128594
Energy: 1.2871927415763948
Energy: 1.2378021768551888
Energy: 1.2372216044245277
Energy: 1.2876679950149665
Energy: 1.2054964830177908
Energy: 1.2394810073078297
Energy: 1.313250554543141
Energy: 1.205558624880906
Energy: 1.2072247297713352
Energy: 1.2061654151189722
Energy: 1.2081312717767663
Energy: 1.2077767307099891
Energy: 1.206073517881965
Energy: 1.2078363124378684
Energy: 1.2084930938896599
Energy: 1.2077912702809463
Energy: 1.2219547016813477
Energy: 1.2331571405718231
Energy: 1.2077041434145932
Energy: 1.2352812554552626
Energy: 1.234919657304013
Energy: 1.2085719494791949
Energy: 1.240060326042048
Energy: 1.2344561638302483
Energy: 1.234289961762616
Energy: 1.2375986024804406
Energy: 1.4213288334948069
Energy: 1.2345293998614275
Energy: 1.2362087490757143
Energy: 1.2369951747247199
Energy: 1.234564357355944
Energy: 1.2362228241809643
Energy: 1.2368883058737459
Energy: 1.235224083135998
Energy: 1.2093274147613102
Energy: 1.2355149217810133
Energy: 1.2346772926333958
Energy: 1.4350936825667973
Energy: 1.234461526807359
Energy: 1.2060570564277762
Energy: 1.3717863899476714
Energy: 1.2396001360356457
Energy: 1.2282887691137008
Energy: 1.3737605680975646
Energy: 1.2290327228966282
Energy: 1.5096865253632572
Energy: 1.565897127917549
Energy: 1.2403974603872239
Energy: 1.3279416692550767
Energy: 1.2053547400637097
Energy: 1.2053270211664988
Energy: 1.2346766530094326
Energy: 1.1523618497135077
Energy: 1.422880007384414
Energy: 1.1543550288116655
Energy: 1.1532106909011905
Energy: 1.2364658060133262
Energy: 1.1600682659996064

minimum gb energy = 1.1523618497135077 eV
minimum distance =  2.52410264349375 Angstroms
sigma value = 17


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

Energy: 1.1638485061363602
Energy: 1.670757719054751
Energy: 1.3839368795755473
Energy: 1.3298202775577435
Energy: 1.5163588835761137
Energy: 1.3853697740758966
Energy: 1.5801729489567433
Energy: 1.4510486793881128
Energy: 1.2355086970752924
Energy: 1.371399404541549
Energy: 1.471000084683865
Energy: 1.2410638718288427
Energy: 1.4804091376545632
Energy: 1.1575982894673273
Energy: 1.3141926336649832
Energy: 1.3441665649212333
Energy: 1.1101503043020844
Energy: 1.3134516432320256
Energy: 1.452160865479287
Energy: 1.312842200478642
Energy: 1.313771404291414
Energy: 1.4521225924539318
Energy: 1.157776024325703
Energy: 1.313061466079015
Energy: 1.1395977386118226
Energy: 1.2393249537959514
Energy: 1.238192445761145
Energy: 1.1398731348622613
Energy: 1.2411854029034572
Energy: 1.237906476329367
Energy: 1.1121827297218596
Energy: 1.2390345119420738
Energy: 1.159020399756946
Energy: 1.1593047978692286
Energy: 1.2397707007128622
Energy: 1.1587892967999363
Energy: 1.1346969870355947
Energy: 1.236042308750527
Energy: 1.2362789534949798
Energy: 1.1350541701743364
Energy: 1.236420066255627
Energy: 1.2184043198467809
Energy: 1.1378327473895906
Energy: 1.1077108908260485
Energy: 1.1373964184589296
Energy: 1.1466855047158175
Energy: 1.1065587623402626
Energy: 1.1355950942267516
Energy: 1.1374617997085814
Energy: 1.135334406080396
Energy: 1.1346046886937662
Energy: 1.1390775129401665
Energy: 1.162340519849488
Energy: 1.1353075508079926
Energy: 1.134111025126309
Energy: 1.1707438271010164
Energy: 1.1694356834954434
Energy: 1.1335498356080476
Energy: 1.1978392171630021
Energy: 1.1764105939534921
Energy: 1.323691669177844
Energy: 1.1326748547028664
Energy: 1.170245276754395
Energy: 1.1704542600672463
Energy: 1.1332482977315093
Energy: 1.1735595526705749
Energy: 1.1332173551376126
Energy: 1.137159066167086
Energy: 1.1368199381339013
Energy: 1.1337241917856726
Energy: 1.137139992012437
Energy: 1.1345800188127235
Energy: 1.1389795117031865
Energy: 1.135370329994466
Energy: 1.1351602719153382
Energy: 1.1332519995115133
Energy: 1.135321724626178
Energy: 1.136352064367936
Energy: 1.2405537658453363
Energy: 1.1346491738246471
Energy: 1.21688235991906
Energy: 1.2424420456926268
Energy: 1.3448725740062908
Energy: 1.2348384652246345
Energy: 1.239179893151828
Energy: 1.259084006371629
Energy: 1.2118926079265384
Energy: 1.239206335099502
Energy: 1.2133026889029086
Energy: 1.2396690862114206
Energy: 1.5207826711265453
Energy: 1.1357562032509716
Energy: 1.2354168912268448
Energy: 1.2425593957241519
Energy: 1.1368510763973294
Energy: 1.2392724732208265
Energy: 1.1325439730044558
Energy: 1.4525920471213278
Energy: 1.45211655596495
Energy: 1.1333894834392606
Energy: 1.4515915923723508
Energy: 1.2362571470706099
Energy: 1.136340307416722
Energy: 1.4525209698213364
Energy: 1.4533811914170653
Energy: 1.1347724004815678
Energy: 1.452982325458063
Energy: 1.2345424217020347
Energy: 1.604540580554676
Energy: 1.2613809626878103
Energy: 1.3799103671078548
Energy: 1.4527286101723778
Energy: 1.365186747878374
Energy: 1.2347885919997408
Energy: 1.657313616679986
Energy: 1.2467271441780214
Energy: 1.2370562240946248
Energy: 1.6576734047256236
Energy: 1.237427275380572
Energy: 1.4499771483480892
Energy: 1.4794380943521235
Energy: 1.2670544323389714
Energy: 1.234875383490803
Energy: 1.2658290714875184
Energy: 1.3750871124519024
Energy: 1.4539009119675244
Energy: 1.1574688835495528
Energy: 1.4529376616979046
Energy: 1.5889476097482726
Energy: 1.1564836357910089
Energy: 1.454185664413778
Energy: 1.3124779644199238
Energy: 1.1562939981607254
Energy: 1.4526380080681982
Energy: 1.4532883001108148
Energy: 1.15617658456795
Energy: 1.4524536379235593
Energy: 1.3740205886220425
Energy: 1.481051632373153
Energy: 1.1840963730265008
Energy: 1.2386668729787742
Energy: 1.4548615158978828
Energy: 1.1586619413913626
Energy: 1.454372618284423
Energy: 1.451743201717603
Energy: 1.1580100157743416
Energy: 1.3152799501677999
Energy: 1.452365951471186
Energy: 1.1579252268606848
Energy: 1.3149419170090137
Energy: 1.2668490585945036
Energy: 1.2355905728318712
Energy: 1.2350729047524989
Energy: 1.273252946977919
Energy: 1.241731776384734
Energy: 1.2355580779170092
Energy: 1.1111222961866039
Energy: 1.2389785403789528
Energy: 1.2391139339206212
Energy: 1.158812991327477
Energy: 1.2386484741168926
Energy: 1.1584459402105618
Energy: 1.107507218231495
Energy: 1.239955751260888
Energy: 1.2393673254368733
Energy: 1.1075043068122186
Energy: 1.2406447540347403
Energy: 1.2396521838210623
Energy: 1.1346825733195123
Energy: 1.2203416547346313
Energy: 1.1363860292606482
Energy: 1.1381811428459498
Energy: 1.1612689626442654
Energy: 1.1361818255582696
Energy: 1.1352796168013
Energy: 1.1073016392024795
Energy: 1.137153114119106
Energy: 1.1353632975294639
Energy: 1.106660723360948
Energy: 1.1362505440033772
Energy: 1.1344239158424274
Energy: 1.1346601104737923
Energy: 1.1349564994781542
Energy: 1.1344950178798447
Energy: 1.1608379315983812
Energy: 1.1323130829424861
Energy: 1.1598347884016507
Energy: 1.2452135167264857
Energy: 1.2467642359583038
Energy: 1.3241694341382726
Energy: 1.1353187572876209
Energy: 1.244839874689879
Energy: 1.1674093577011906
Energy: 1.1321086506655562
Energy: 1.1309548110951877
Energy: 1.1664461823787204
Energy: 1.1373812625600528
Energy: 1.131853533640426
Energy: 1.1374764653956144
Energy: 1.1632134396090772
Energy: 1.1356259769627604
Energy: 1.1337257059441714
Energy: 1.1362249714344461
Energy: 1.133091995053831
Energy: 1.2363961211937313
Energy: 1.2617696314395968
Energy: 1.1359103129613475
Energy: 1.236494556866627
Energy: 1.1327616938869378
Energy: 1.2212356330873892
Energy: 1.2392633469882406
Energy: 1.1337761927582115
Energy: 1.2384438395387434
Energy: 1.2399464482470968
Energy: 1.1323417481449871
Energy: 1.2393699824639859
Energy: 1.5265855329103555
Energy: 1.2399398661781444
Energy: 1.2392532696252487
Energy: 1.2387526158665545
Energy: 1.1360224132860293
Energy: 1.2400692039493393
Energy: 1.1320168128440442
Energy: 1.4508936673352293
Energy: 1.4513360324793283
Energy: 1.375198073703158
Energy: 1.4710410979649564
Energy: 1.2352352889301135
Energy: 1.1340994180841637
Energy: 1.4555577945286826
Energy: 1.2346587797512152
Energy: 1.236626260325087
Energy: 1.2633679816855894
Energy: 1.2349384786048487
Energy: 1.4314337696888308
Energy: 1.470987821834011
Energy: 1.450947471175519
Energy: 1.4319923956113298
Energy: 1.4714340731409896
Energy: 1.376486681813083
Energy: 1.5956473660057988
Energy: 1.2364505731909388
Energy: 1.450919020193714
Energy: 1.5959834264058856
Energy: 1.2369104669253834
Energy: 1.4483267577568515
Energy: 1.4814444886234175
Energy: 1.1701399122494374
Energy: 1.234268077071287
Energy: 1.455527603321052
Energy: 1.1327243022714757
Energy: 1.4534359501352987
Energy: 1.1562207944307255
Energy: 1.4523909883910717
Energy: 1.4524076190146575
Energy: 1.1562089613874162
Energy: 1.4560061439166399
Energy: 1.3749631251975574

minimum gb energy = 1.1065587623402626 eV
minimum distance =  2.48278611000822 Angstroms
sigma value = 57


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

Energy: 1.085220957821472
Energy: 1.6370175341575024
Energy: 1.386893554041792
Energy: 1.1796802116668064
Energy: 1.936280878834009
Energy: 1.387295596012448
Energy: 1.5374233795785652
Energy: 1.2488685079418795
Energy: 1.2480225673385035
Energy: 1.2754097522213805
Energy: 1.4554607771055965
Energy: 1.2469209698672983
Energy: 1.6316686975204144
Energy: 1.1662285475857697
Energy: 1.165988169195465
Energy: 1.453051425830708
Energy: 1.090379464283559
Energy: 1.3248224473900825
Energy: 1.4595674195958201
Energy: 1.1659993977810172
Energy: 1.325332441969039
Energy: 1.4546039056994686
Energy: 1.086588490008843
Energy: 1.3260711925913025
Energy: 1.0865342291982458
Energy: 1.2479546332629963
Energy: 1.2481665436763307
Energy: 1.0853889419010594
Energy: 1.2535159281660633
Energy: 1.2484114998464078
Energy: 1.0568984225292288
Energy: 1.248686804457315
Energy: 1.1683216508749794
Energy: 1.0881867247455588
Energy: 1.249095881466675
Energy: 1.1668395896718384
Energy: 1.310115639625318
Energy: 1.2492507517805236
Energy: 1.2496727656880315
Energy: 1.1573716301688581
Energy: 1.2489943093518743
Energy: 1.2245718741420242
Energy: 1.4040810369598433
Energy: 1.0805783834741076
Energy: 1.080643592410834
Energy: 1.125244760113023
Energy: 1.0807607344400503
Energy: 1.1270590087597103
Energy: 1.1296034019826278
Energy: 1.1270856015916109
Energy: 1.1258733882106133
Energy: 1.1317306527221533
Energy: 1.057663515966433
Energy: 1.1268497214231223
Energy: 1.09791875473116
Energy: 1.0687919273008044
Energy: 1.0679461514660338
Energy: 1.1014021263660891
Energy: 1.0711422960642822
Energy: 1.069880837131064
Energy: 1.0820551977561093
Energy: 1.0686893777408537
Energy: 1.0686143350843371
Energy: 1.0588819304989596
Energy: 1.0687500435667059
Energy: 1.069790714277589
Energy: 1.0977787632852078
Energy: 1.06926084383613
Energy: 1.068620280941413
Energy: 1.0965128262598745
Energy: 1.0704655215159247
Energy: 1.0703959968537815
Energy: 1.1001789649683233
Energy: 1.1878254490928426
Energy: 1.1239654097958551
Energy: 1.0972116577086481
Energy: 1.1801432522629538
Energy: 1.1884241039613634
Energy: 1.0736712070827865
Energy: 1.1829623223364414
Energy: 1.0682473293472716
Energy: 1.0737764944375903
Energy: 1.0938832141839003
Energy: 1.069948042787171
Energy: 1.069501211751536
Energy: 1.2955010280748098
Energy: 1.1930435425556591
Energy: 1.069262665240188
Energy: 1.2994720728166165
Energy: 1.2060750433750822
Energy: 1.295965924382371
Energy: 1.1270024475801963
Energy: 1.1272854916933532
Energy: 1.1927192047715869
Energy: 1.1270584043421554
Energy: 1.1895916597853375
Energy: 1.072699411412247
Energy: 1.1256556030601976
Energy: 1.125697188295374
Energy: 1.0721411850809575
Energy: 1.126140889559193
Energy: 1.1256680463392705
Energy: 1.0744003309448704
Energy: 1.1254248539246374
Energy: 1.1251387268950912
Energy: 1.076504363489896
Energy: 1.124160346154741
Energy: 1.1252901277761105
Energy: 1.246581626219887
Energy: 1.1258035714787562
Energy: 1.2477143280482303
Energy: 1.248772882590433
Energy: 1.2524563388160668
Energy: 1.2476010811740152
Energy: 1.5047153404889426
Energy: 1.1321594960218986
Energy: 1.1299585086115655
Energy: 1.505770510227504
Energy: 1.1288015553309656
Energy: 1.2482229093689259
Energy: 1.4913461440861355
Energy: 1.2540629966866286
Energy: 1.2545384454540938
Energy: 1.2518358748901528
Energy: 1.2501685101494961
Energy: 1.2473915177529191
Energy: 1.0696537016431786
Energy: 1.4524043538527769
Energy: 1.2460915351688981
Energy: 1.074399793409014
Energy: 1.4521576698058136
Energy: 1.2466870286422074
Energy: 1.2536020741212182
Energy: 1.4661825590296222
Energy: 1.4509096577518548
Energy: 1.254844536951705
Energy: 1.465543476524164
Energy: 1.4521963068275197
Energy: 1.5115255490905972
Energy: 1.2483770686878417
Energy: 1.2488603370043165
Energy: 1.3820955960275685
Energy: 1.4694087883428149
Energy: 1.2482887486795993
Energy: 1.4488379161982166
Energy: 1.246956751758898
Energy: 1.2464868758107397
Energy: 1.561077532055545
Energy: 1.247696506746383
Energy: 1.463934153062828
Energy: 1.448510416246063
Energy: 1.4661215125733262
Energy: 1.451876703818515
Energy: 1.452690931605642
Energy: 1.4646027492280136
Energy: 1.2556009605164742
Energy: 1.0831844466848297
Energy: 1.464959434569308
Energy: 1.324659711501034
Energy: 1.1673278639233962
Energy: 1.4572916820665411
Energy: 1.3250426506479975

minimum gb energy = 1.0568984225292288 eV
minimum distance =  2.48851240207602 Angstroms
sigma value = 43


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

Energy: 0.986489198354771
Energy: 1.5305765091455386
Energy: 1.3373044663501186
Energy: 1.0678902625391313
Energy: 1.501850212577707
Energy: 1.1542529842284794
Energy: 1.408941391599396
Energy: 1.1935044468884703
Energy: 1.1933268332664873
Energy: 1.1950590838437316
Energy: 1.1946976520359058
Energy: 1.1935971343922602
Energy: 1.3429233207043745
Energy: 1.0345324514643834
Energy: 1.1246800876313812
Energy: 1.3578058207795294
Energy: 0.9766714193493438
Energy: 1.1248393932789815
Energy: 1.3024036912247388
Energy: 1.1256088594353237
Energy: 1.1248769695747545
Energy: 1.195550795705571
Energy: 0.9761361656513532
Energy: 1.2602990507233374
Energy: 1.1943296027621948
Energy: 1.1930585380536336
Energy: 1.1930175446110038
Energy: 1.1938174056164998
Energy: 1.1932008416337854
Energy: 1.1932809606642651
Energy: 0.9489525353149336
Energy: 1.193470105697829
Energy: 1.1256875714061794
Energy: 1.1366307169606147
Energy: 1.193212878245147
Energy: 1.0331687123099824
Energy: 1.317152774971165
Energy: 1.1940627832146178
Energy: 1.1933765073997777
Energy: 1.0847188918936412
Energy: 1.1944512475799751
Energy: 1.205128071167799
Energy: 1.310416066756234
Energy: 0.9764922233047534
Energy: 1.0335269481302343
Energy: 1.0811793909879297
Energy: 0.9778621807193204
Energy: 1.0337854489086011
Energy: 1.0847306184191685
Energy: 1.0360164803741385
Energy: 1.0797322200286137
Energy: 1.0811833946835308
Energy: 0.975568843375018
Energy: 1.0802111191218569
Energy: 1.0356987477788338
Energy: 1.0064862174514824
Energy: 1.0062606207169669
Energy: 1.0514202882280308
Energy: 1.0061829182128943
Energy: 1.008054536886271
Energy: 0.9367068563004981
Energy: 1.0067200393219111
Energy: 1.0063903081858547
Energy: 0.9438948128761261
Energy: 1.0072836494901665
Energy: 0.9770228795146373
Energy: 1.1420702495550659
Energy: 1.008486755894551
Energy: 1.0080848802951599
Energy: 1.1399002388379047
Energy: 1.0085984322632482
Energy: 1.171057588674237
Energy: 1.2237431736871585
Energy: 0.9440769787084737
Energy: 0.9761768591518495
Energy: 1.14131797539632
Energy: 1.125201802562969
Energy: 0.9767489579914793
Energy: 0.9623230411791451
Energy: 1.0561476651403987
Energy: 0.9615934253548962
Energy: 0.9623389373113899
Energy: 0.9408786120275667
Energy: 0.962422506423068
Energy: 1.0214800082833284
Energy: 0.9403807312682239
Energy: 0.9431184868934244
Energy: 1.021071124607731
Energy: 0.9405728551914505
Energy: 1.1228830531711205
Energy: 0.9443115126862346
Energy: 0.9407443507949828
Energy: 0.9399478209909582
Energy: 0.9426179963988874
Energy: 0.9410993231795184
Energy: 1.124601325027928
Energy: 0.9640653295045843
Energy: 0.9415131429026702
Energy: 0.9409817628446923
Energy: 0.9641925822307262
Energy: 0.9414931086051276
Energy: 1.1250893409319593
Energy: 0.963656463519632
Energy: 1.1275806388157432
Energy: 1.1255433094602019
Energy: 1.0331016540894453
Energy: 1.0500085193605773
Energy: 1.124696112503136
Energy: 0.9420927550827847
Energy: 1.006502375577032
Energy: 0.9415491413960834
Energy: 0.9431352093584282
Energy: 1.0068485650926355
Energy: 0.9424297916780059
Energy: 1.005731463023851
Energy: 1.1435527756320982
Energy: 1.1409457934451657
Energy: 1.0052747053552058
Energy: 1.1455414039004264
Energy: 1.1414096023811973
Energy: 1.0099481749939219
Energy: 0.9628803104500709
Energy: 0.9627108082788165
Energy: 1.0087505945162878
Energy: 0.9626659612976136
Energy: 1.1402048374239668
Energy: 0.9440390447641536
Energy: 0.9624172181611056
Energy: 0.9607709590159969
Energy: 0.9407568896831939
Energy: 0.9627904252717262
Energy: 1.0597502503956633
Energy: 0.9410344030582918
Energy: 0.9610533525396381
Energy: 0.961708437613497
Energy: 0.9408503875573749
Energy: 0.961125540029797
Energy: 0.9620984461294698
Energy: 1.0070744269713685
Energy: 1.1219632180740655
Energy: 1.0055615376529001
Energy: 1.006849368183547
Energy: 0.9618442942584137
Energy: 1.0059395599540402
Energy: 1.2581603741075071
Energy: 0.9614431209359461
Energy: 1.0066529553138297
Energy: 1.2616793358920988
Energy: 0.961400250805245
Energy: 1.006385436477868
Energy: 1.2841268488943958
Energy: 1.0826761767642972
Energy: 1.082834648352457
Energy: 1.1465264937244113
Energy: 1.0819730756880825
Energy: 1.1142976482926683
Energy: 0.941496789916844
Energy: 1.080460083721029
Energy: 1.0805352587977335
Energy: 0.9620322721214596
Energy: 1.0806725499189107
Energy: 1.005206121652153
Energy: 1.0786071838541487
Energy: 1.0805307066889325
Energy: 1.080543838050241
Energy: 1.0063704195445742
Energy: 1.080256444921418
Energy: 1.0840188556165598
Energy: 1.1942936441445342
Energy: 1.0794338587366743
Energy: 1.193800951866595
Energy: 1.1951050885104846
Energy: 1.0043147603099707
Energy: 1.1937628644144587
Energy: 1.3802438735808038
Energy: 1.005640944154454
Energy: 1.0791593901848164
Energy: 1.196447633267034
Energy: 1.010619087717977
Energy: 1.079565952856091
Energy: 1.3756281744563599
Energy: 1.1931468957481712
Energy: 1.1933650303707393
Energy: 1.1946612272747354
Energy: 1.1945828704921984
Energy: 1.1935956826299026
Energy: 0.968456463836108
Energy: 1.3583784596649426
Energy: 1.1926186323294223
Energy: 1.0123731963976368
Energy: 1.3588398510397892
Energy: 1.0796714609214013
Energy: 1.300958365214798
Energy: 1.358596420400879
Energy: 1.3589214599237314
Energy: 1.3002602196886643
Energy: 1.367393325915088
Energy: 1.1934950739681376
Energy: 1.374348011882288
Energy: 1.1931057498889532
Energy: 1.1926540517244282
Energy: 1.1933136770157264
Energy: 1.0070908223228678
Energy: 1.3651105876025444
Energy: 1.3419890068978975
Energy: 1.0827850557289576
Energy: 1.193169588218641
Energy: 1.3578501574917574
Energy: 1.0867648862019288
Energy: 1.1930587932095083
Energy: 1.4089413910493223
Energy: 1.3677136504616643
Energy: 1.367427389703104
Energy: 1.3053310942457421
Energy: 1.3671483605987562
Energy: 1.1935229678335053

minimum gb energy = 0.9367068563004981 eV
minimum distance =  2.46913460508144 Angstroms
sigma value = 81


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

Energy: 0.13600873877387157
Energy: 0.2401653192914824
Energy: 0.13612029014573104
Energy: 0.13600413160038588
Energy: 0.1373855348049781
Energy: 0.13644204321305078
Energy: 0.23951237316843654
Energy: 0.13728478561587595
Energy: 0.13781465232162018
Energy: 0.23900675700174318
Energy: 0.13765314766719583
Energy: 0.13781948743635075
Energy: 0.23882076658015278
Energy: 0.1364556586653639
Energy: 0.13622913278189175
Energy: 0.2383892741929663
Energy: 0.1362663762401575
Energy: 0.24069181160672115
Energy: 0.13715070861995174
Energy: 0.13613822748586293
Energy: 0.1365037378207324
Energy: 0.13788460173738434
Energy: 0.1363428550797197
Energy: 0.2413485355749038
Energy: 0.24025886027618937
Energy: 0.23860756334595842
Energy: 0.2386611865926654
Energy: 0.23994768601945088
Energy: 0.23868228739627423
Energy: 0.2390444389599224
Energy: 0.13786551528248336
Energy: 0.13766923541808834
Energy: 0.13616136744028082
Energy: 0.1361245647047965
Energy: 0.13744222688008614
Energy: 0.13606373335940303
Energy: 0.23883737563583995
Energy: 0.1371889823724009
Energy: 0.13756795237016745
Energy: 0.23875523365203485
Energy: 0.13758730098056438
Energy: 0.13759158493073265
Energy: 0.23883479039881791
Energy: 0.13628819520974575
Energy: 0.13630794089442014
Energy: 0.2387162258820761
Energy: 0.1363751897020365
Energy: 0.23971157812606408
Energy: 0.13838066305688496
Energy: 0.13611840333152805
Energy: 0.24038529861368027
Energy: 0.1394351133793487
Energy: 0.1362236680794386
Energy: 0.23971364490736408
Energy: 0.1361200852931457
Energy: 0.23860188702942492
Energy: 0.23861016882897615
Energy: 0.13604934778568215
Energy: 0.2385433599225777
Energy: 0.23844272363193608

minimum gb energy = 0.13600413160038588 eV
minimum distance =  2.65062314332575 Angstroms
sigma value = 3


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

Energy: 1.789622210281158
Energy: 1.2060456916325983
Energy: 1.2879664325166176
Energy: 1.2279277325810563
Energy: 1.331018688132829
Energy: 1.2278644537196923
Energy: 1.3217287535934914
Energy: 1.263221892230955
Energy: 1.2621086874934735
Energy: 1.265887517069271
Energy: 1.2652927991518645
Energy: 1.275718862878029
Energy: 1.3057294889995856
Energy: 1.1386647754684078
Energy: 1.129994811607924
Energy: 1.3058522632813903
Energy: 1.1614767342595291
Energy: 1.2607419647660163
Energy: 1.268572604817542
Energy: 1.0338570924089283
Energy: 1.033908043601798
Energy: 1.2687367355244228
Energy: 1.125434248898009
Energy: 1.1319053931146754
Energy: 1.1298698591513183
Energy: 1.263773975789827
Energy: 1.2789054115202656
Energy: 1.130011003206291
Energy: 1.306712614270001
Energy: 1.138516886716556
Energy: 1.029574780523126
Energy: 1.1422643275879187
Energy: 1.155168571211365
Energy: 1.0685257877777348
Energy: 1.1421035439945701
Energy: 1.1664392675861406
Energy: 1.2645042405026583
Energy: 1.1367513053105027
Energy: 1.1368214553330307
Energy: 1.2655213419288733
Energy: 1.137692407677086
Energy: 1.2884556774993474
Energy: 1.2648664976696744
Energy: 1.0309952635016844
Energy: 1.0388016639421203
Energy: 1.268665392928026
Energy: 0.9649163473082626
Energy: 1.0385461726401222
Energy: 1.0415179957922638
Energy: 1.0661695115649357
Energy: 1.0413685054209496
Energy: 1.0397020754877564
Energy: 1.0301571481777694
Energy: 1.040084931840699
Energy: 1.0340905614516764
Energy: 1.13950248598182
Energy: 1.1379023832368675
Energy: 1.0338027907353062
Energy: 1.1407851902184114
Energy: 1.1385406976582706
Energy: 0.9660586310160647
Energy: 0.967876235709307
Energy: 1.1962315578887233
Energy: 1.0080617309826234
Energy: 0.9687862190777194
Energy: 1.0700781020295942
Energy: 1.032553494950006
Energy: 1.0713208505425036
Energy: 1.069563794450018
Energy: 1.0328395191956417
Energy: 0.9680338790763232
Energy: 1.0331823316924078
Energy: 1.0347927207165488
Energy: 1.0138384310673163
Energy: 1.0347860753542337
Energy: 1.0351134097946237
Energy: 1.0132455898331911
Energy: 1.035462560271206
Energy: 0.9365533231688915
Energy: 0.968912936102495
Energy: 1.1049687008961635
Energy: 1.1057950570890496
Energy: 0.9688065348154696
Energy: 1.1060966203846379
Energy: 0.9367824709795999
Energy: 0.9679309200256667
Energy: 0.9678704061167537
Energy: 0.9371050358605765
Energy: 0.9691380183151652
Energy: 0.9679983768038645
Energy: 0.9370665405421982
Energy: 1.0452890289296017
Energy: 1.181998179316349
Energy: 0.9363625690051849
Energy: 0.9375674298204636
Energy: 1.1821847943574757
Energy: 0.9363297937828536
Energy: 1.0454410603537547
Energy: 1.1693215304939553
Energy: 0.936499030724701
Energy: 0.981665854231356
Energy: 0.9373454178963108
Energy: 0.9363589600484835
Energy: 1.0160694015447436
Energy: 0.936095400660376
Energy: 0.936811600807446
Energy: 1.015475651154328
Energy: 0.9368567173411096
Energy: 0.9705361882878788
Energy: 0.9375206655462457
Energy: 1.1731268562886594
Energy: 1.0159870176083037
Energy: 0.9371644246945419
Energy: 1.1729009832171278
Energy: 0.9369637899223922
Energy: 0.9360889814554175
Energy: 0.936309176505681
Energy: 0.9361992174625572
Energy: 0.9364975500246293
Energy: 0.9364458271999468
Energy: 0.9390624860729253
Energy: 1.0783430354233694
Energy: 1.1819180243873038
Energy: 0.9395979246619824
Energy: 0.936612849031745
Energy: 1.1836380472440489
Energy: 0.969320304054073
Energy: 1.0141281362716406
Energy: 0.9685264012412645
Energy: 0.9683098591667443
Energy: 1.1090635044851314
Energy: 0.968478187247519
Energy: 0.9678974935450235
Energy: 1.1064238211067396
Energy: 1.1990923042452724
Energy: 0.9687068132193447
Energy: 1.1060494331119068
Energy: 1.198503667451095
Energy: 0.9439486354161469
Energy: 1.036698094676423
Energy: 1.0357062655207587
Energy: 1.0218957115039748
Energy: 1.035553150830858
Energy: 1.0296710787875138
Energy: 0.9678549402347535
Energy: 1.0332661678863875
Energy: 1.0328516307293722
Energy: 0.9678762059622887
Energy: 1.0331567706530005
Energy: 1.0327763424172944
Energy: 0.9684131648292874
Energy: 1.0691185417431388
Energy: 1.1096455929201945
Energy: 0.968320967747889
Energy: 0.9443255181032135
Energy: 1.0719184249302949
Energy: 1.1423826027321058
Energy: 1.144869877185622
Energy: 1.1084452850536775
Energy: 1.1411616622543395
Energy: 0.9904566695911521
Energy: 1.1404128155811206
Energy: 1.0747857349479102
Energy: 1.036412974135156
Energy: 1.035734102660958
Energy: 1.0750141593239255
Energy: 1.0347024001712803
Energy: 1.0356188886228441
Energy: 0.9876364262261924
Energy: 1.2685630306948725
Energy: 1.0986003233332635
Energy: 0.9882603855943667
Energy: 1.2683242998910496
Energy: 1.1069020629883757
Energy: 1.1355481959985692
Energy: 1.2799611577863552
Energy: 1.1387461197996354
Energy: 1.135323723990251
Energy: 1.2653243782970265
Energy: 1.290136510707865
Energy: 1.1430627074962858
Energy: 1.0704860837629235
Energy: 1.096788775776841
Energy: 1.143013259207605
Energy: 0.9883632597890871
Energy: 1.0969223574305427
Energy: 1.3062937328103097
Energy: 0.9875446960286225
Energy: 1.0747920773564759
Energy: 1.3061423154862706
Energy: 1.0715731672332247
Energy: 1.2745507776070293
Energy: 1.1863021790035353
Energy: 1.2670619668629017
Energy: 1.2659726062987544
Energy: 1.1866580743384447
Energy: 1.2682452861948315
Energy: 1.1952389296649306

minimum gb energy = 0.9360889814554175 eV
minimum distance =  2.46663294889457 Angstroms
sigma value = 67


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

Energy: 1.7274374238196262
Energy: 1.274810111562484
Energy: 1.390241678738198
Energy: 1.1169576712339184
Energy: 1.3504825228857693
Energy: 1.3902951687851288
Energy: 1.4378263861104863
Energy: 1.346332599859932
Energy: 1.2916386499569175
Energy: 1.4215744792577947
Energy: 1.3707349946151692
Energy: 1.3427884083046255
Energy: 1.4422019137432984
Energy: 1.1739335115179095
Energy: 1.1910224603500976
Energy: 1.3516266023475765
Energy: 1.2727027488348037
Energy: 1.3474152335466982
Energy: 1.3572229892273755
Energy: 1.3488279006349297
Energy: 1.1776952794615063
Energy: 1.3594600629622027
Energy: 1.1724713787741905
Energy: 1.1818224171832725
Energy: 1.3397192652623797
Energy: 1.4271289659192044
Energy: 1.346151487801989
Energy: 1.3393206146671537
Energy: 1.422857340508891
Energy: 1.1752325814682916
Energy: 1.0895700505770616
Energy: 1.2527836385775506
Energy: 1.4335862344808739
Energy: 1.3004026911417326
Energy: 1.2523820444078637
Energy: 1.4329043779460005
Energy: 1.3394982450673152
Energy: 1.1748625196457478
Energy: 1.1742476329318274
Energy: 1.3395778031664907
Energy: 1.1750846135600557
Energy: 1.3106855624327765
Energy: 1.362156073712047
Energy: 1.087976992509954
Energy: 1.154694009051692
Energy: 1.3618557120507098
Energy: 1.1517959450466326
Energy: 1.3596683213280079
Energy: 1.0914776035572276
Energy: 1.2572949341745758
Energy: 1.2146543832090821
Energy: 1.0932179975749061
Energy: 1.1739557284735547
Energy: 1.2173220241961773
Energy: 1.0891587096032274
Energy: 1.1788514906066374
Energy: 1.1788701375321744
Energy: 1.089166060487332
Energy: 1.1805287103493851
Energy: 1.1789784235258596
Energy: 1.0896464570361943
Energy: 1.1750751798356374
Energy: 1.2671399454400085
Energy: 1.2119925170220838
Energy: 1.1772620648679177
Energy: 1.2701490821018862
Energy: 1.0892381292158082
Energy: 1.3023183620038083
Energy: 1.24845403678827
Energy: 1.0889439582761185
Energy: 1.151701914088267
Energy: 1.0898402965856708
Energy: 1.0881965988533757
Energy: 1.199271719630773
Energy: 1.089174044261145
Energy: 1.0890746257672719
Energy: 1.206339184308342
Energy: 1.0888862432038522
Energy: 1.1749187420139044
Energy: 1.089721219414638
Energy: 1.3416516905894789
Energy: 1.2052770341366998
Energy: 1.0895416549127992
Energy: 1.3405199454674717
Energy: 1.0873273951178273
Energy: 1.0894773926445807
Energy: 1.089350272553087
Energy: 1.0892441727858457
Energy: 1.0914406099778176
Energy: 1.0897817504952725
Energy: 1.0891962863754387
Energy: 1.0894295939878502
Energy: 1.3708054589142042
Energy: 1.0891822108703442
Energy: 1.0900527528270054
Energy: 1.36452463212997
Energy: 1.1814952876634086
Energy: 1.125574679058662
Energy: 1.1990208982888158
Energy: 1.1787488252442526
Energy: 1.1895943994841927
Energy: 1.1782194938069288
Energy: 1.173526900285307
Energy: 1.2553468615394259
Energy: 1.2542203826488583
Energy: 1.1747248745682788
Energy: 1.2554535345116926
Energy: 1.1731255403353669
Energy: 1.0687519363667402
Energy: 1.2607037516776574
Energy: 1.17136476384868
Energy: 1.2342040025027785
Energy: 1.2606488873879127
Energy: 1.3202481486654063
Energy: 1.173899842120833
Energy: 1.343723885430373
Energy: 1.340519864584222
Energy: 1.174069461891701
Energy: 1.349967840273899
Energy: 1.174501138033299
Energy: 1.1922980575277913
Energy: 1.236128965316646
Energy: 1.1083075488413936
Energy: 1.189716153597601
Energy: 1.1081170194365242
Energy: 1.1083917584358727
Energy: 1.4418372543600744
Energy: 1.1087322021131703
Energy: 1.117530051703916
Energy: 1.4422012692377975
Energy: 1.167009261241513
Energy: 1.4455229254766948
Energy: 1.4378177233629597
Energy: 1.3452899687452116
Energy: 1.3399599849145885
Energy: 1.4381425872173719
Energy: 1.3518883399162027
Energy: 1.340368614572362

minimum gb energy = 1.0687519363667402 eV
minimum distance =  2.46316902371849 Angstroms
sigma value = 33


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

Energy: 1.9388461443463139
Energy: 1.7162502153566346
Energy: 1.7126883689623444
Energy: 1.492600200108666
Energy: 1.3695740269789138
Energy: 1.4933238271797176
Energy: 1.4519583062924304
Energy: 1.3416656975696635
Energy: 1.341759626642139
Energy: 1.610200162883076
Energy: 1.6105923649177611
Energy: 1.3420719766727218
Energy: 1.4707757614210042
Energy: 1.3200201717277433
Energy: 1.2768446978230612
Energy: 1.47046688026498
Energy: 1.3214389202454815
Energy: 1.3489210945804744
Energy: 1.3511930190660792
Energy: 1.276126602502383
Energy: 1.2744448818018816
Energy: 1.3533132282876186
Energy: 1.3331177883251415
Energy: 1.3452373946120157
Energy: 1.3483872470840208
Energy: 1.342961383391655
Energy: 1.340016630917325
Energy: 1.3416847751092773
Energy: 1.6164302529974355
Energy: 1.3521856568094124
Energy: 1.1772144869174792
Energy: 1.2004009395161632
Energy: 1.2067027095041896
Energy: 1.2499068640735467
Energy: 1.2027222685128616
Energy: 1.4553269839024146
Energy: 1.340001739069983
Energy: 1.1801962619047721
Energy: 1.353251462983794
Energy: 1.3403322120314136
Energy: 1.180221670063484
Energy: 1.3812278447317303
Energy: 1.3556504895251433
Energy: 1.256387137767659
Energy: 1.3382966515221761
Energy: 1.3494263371748065
Energy: 1.2587963271374425
Energy: 1.350643837134185
Energy: 1.1811173291163601
Energy: 1.3529390788891096
Energy: 1.3620918788928322
Energy: 1.1827376990334622
Energy: 1.1814480621290104
Energy: 1.4738621043242357
Energy: 1.180770175220387
Energy: 1.1792174328095566
Energy: 1.1792256957125877
Energy: 1.181645573313166
Energy: 1.1822988793299996
Energy: 1.1801902004226084
Energy: 1.2972525922274596
Energy: 1.1808778887707978
Energy: 1.4278200283873628
Energy: 1.3178167795682443
Energy: 1.182363641234586
Energy: 1.4294634398881962
Energy: 1.1792369234582218
Energy: 1.1941909944470162
Energy: 1.1807830560117398
Energy: 1.1792033030115814
Energy: 1.337791462897629
Energy: 1.1809137617680072
Energy: 1.1799009751932743
Energy: 1.2229071690881115
Energy: 1.182938348899629
Energy: 1.1798923790513938
Energy: 1.256802305078074
Energy: 1.1811152007154373
Energy: 1.137304272776673
Energy: 1.2977358653408089
Energy: 1.264124326423339
Energy: 1.287794770083776
Energy: 1.2959426456028218
Energy: 1.2849565669805423
Energy: 1.1381899696077333
Energy: 1.3382819629313933
Energy: 1.339273099598149
Energy: 1.1379904462832715
Energy: 1.3415403329152136
Energy: 1.2040959015404085
Energy: 1.2022118685361713
Energy: 1.3808822520842932
Energy: 1.1568926830946633
Energy: 1.202128592717184
Energy: 1.2188929238266681
Energy: 1.3529967931047664
Energy: 1.5298637161033104
Energy: 1.2191813761670063
Energy: 1.219145987026616
Energy: 1.5229677431437503
Energy: 1.219511528518709
Energy: 1.3145784413676875
Energy: 1.472171174652479
Energy: 1.34010561742752
Energy: 1.3411495321712519
Energy: 1.468514427219712
Energy: 1.339942332425199
Energy: 1.34050677353339
Energy: 1.2175983335112455
Energy: 1.5969322522747877
Energy: 1.631758897596767
Energy: 1.3647402709574272
Energy: 1.5938291152252984
Energy: 1.332297875003212
Energy: 1.4646993303125313
Energy: 1.3432194442452965
Energy: 1.340721209650161
Energy: 1.463837873415549
Energy: 1.6151139084217627
Energy: 1.3406161264259704
Energy: 1.4701997031799416
Energy: 1.2760512483562667
Energy: 1.2753699796487323
Energy: 1.359564102375715
Energy: 1.4892739275706695
Energy: 1.3354225886037496
Energy: 1.3522800005682254
Energy: 1.3231750727851606
Energy: 1.2753147634688564
Energy: 1.3532236753237892
Energy: 1.4001915332681638
Energy: 1.1988483530356744
Energy: 1.315554745568072
Energy: 1.341631285022329
Energy: 1.3399874134652903
Energy: 1.3562693649954685
Energy: 1.6108971622999515
Energy: 1.1840878941536153
Energy: 1.1785556644847626
Energy: 1.6077523799505418
Energy: 1.6105949683376912
Energy: 1.177547112211253
Energy: 1.607435718581682
Energy: 1.3728645629563212
Energy: 1.339621046582959
Energy: 1.1833331897344124
Energy: 1.183678762967834
Energy: 1.3411262400034827
Energy: 1.180462912211654
Energy: 1.310623450250386
Energy: 1.3513139923357762
Energy: 1.25561593807152
Energy: 1.2791672088508934
Energy: 1.3542022761254713
Energy: 1.2591234926107964
Energy: 1.3507778823376653
Energy: 1.1810454360588434
Energy: 1.2619268195118847
Energy: 1.180940348182501
Energy: 1.309846506948658
Energy: 1.181775225372266
Energy: 1.2399223949408968
Energy: 1.1797060760147027
Energy: 1.1794602593449621
Energy: 1.179586746959414
Energy: 1.1805369205513134
Energy: 1.1801033169990274
Energy: 1.180380616431812
Energy: 1.297832891800178
Energy: 1.1822967172765435
Energy: 1.1836148041452126
Energy: 1.3172218243143172
Energy: 1.1812813387054517
Energy: 1.4298145661440544
Energy: 1.180046926751118
Energy: 1.181960949533207
Energy: 1.180961835301211
Energy: 1.1802488116708791
Energy: 1.1797958963149822
Energy: 1.1818595371613012
Energy: 1.1800288614043026
Energy: 1.2232564724546746
Energy: 1.1809281234711235
Energy: 1.180027343810568
Energy: 1.2571613131022172
Energy: 1.1806469851619534
Energy: 1.138937310491026
Energy: 1.2643102095678573
Energy: 1.2562379828084573
Energy: 1.288806600229795
Energy: 1.2986094638702197
Energy: 1.2870898867091378
Energy: 1.1387687634361197
Energy: 1.336570479869341
Energy: 1.3367858672436628
Energy: 1.1387727543678918
Energy: 1.3534117551507774
Energy: 1.3394018508072434
Energy: 1.2037160386565078
Energy: 1.2201774278785054
Energy: 1.3536287294829643
Energy: 1.2033521207475157
Energy: 1.219401999146353
Energy: 1.353028540835081
Energy: 1.5385859553393344
Energy: 1.2192676276053827
Energy: 1.393573506536484
Energy: 1.539872059082646
Energy: 1.1355237266009712
Energy: 1.3148285644280555
Energy: 1.4691160095750313
Energy: 1.3409413226769282
Energy: 1.3417757879346666
Energy: 1.4682785891538028
Energy: 1.3407584444658407
Energy: 1.18330338832305
Energy: 1.2180069380041698
Energy: 1.3507290468707718
Energy: 1.3891711344471702
Energy: 1.217822930557703
Energy: 1.3506837517513948
Energy: 1.3321280269416835

minimum gb energy = 1.1355237266009712 eV
minimum distance =  2.47343904452972 Angstroms
sigma value = 41


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

Energy: 1.7432985037767406
Energy: 1.7752531468258543
Energy: 1.7753987705970384
Energy: 1.4179429218382213
Energy: 1.3550990973955896
Energy: 1.5479307173006271
Energy: 1.4042114005543531
Energy: 1.3111668186663359
Energy: 1.3120480344604657
Energy: 1.5986663940614187
Energy: 1.6113275105938818
Energy: 1.3118776367186578
Energy: 1.5199417061831726
Energy: 1.3068095487696778
Energy: 1.3033893035918012
Energy: 1.5195851717534914
Energy: 1.3064346473534478
Energy: 1.3034512370062619
Energy: 1.3572905742901644
Energy: 1.3069673994911668
Energy: 1.2584734263044015
Energy: 1.357473916886265
Energy: 1.3071102795675094
Energy: 1.4666163426761059
Energy: 1.3117564683195724
Energy: 1.311869644730106
Energy: 1.312440805184039
Energy: 1.3122286362311777
Energy: 1.6096632339399675
Energy: 1.310785317704101
Energy: 1.3593101355504387
Energy: 1.5958220946581687
Energy: 1.4247059111473117
Energy: 1.3296275026275675
Energy: 1.596218405452952
Energy: 1.475728412479704
Energy: 1.3120125864669612
Energy: 1.3011071602114952
Energy: 1.3029967162068044
Energy: 1.3120053488177659
Energy: 1.3011118045298917
Energy: 1.3132154603082553
Energy: 1.317472984445752
Energy: 1.2639824699092121
Energy: 1.3103769894061756
Energy: 1.3099116949456295
Energy: 1.262633799192696
Energy: 1.3102653820089778
Energy: 1.4532237703980913
Energy: 1.3110059341883096
Energy: 1.2626073837766811
Energy: 1.4561625101008364
Energy: 1.3115344656474275
Energy: 1.264880280191727
Energy: 1.366551471519043
Energy: 1.309217068331778
Energy: 1.3087018399946486
Energy: 1.3660833108126376
Energy: 1.3155751007343734
Energy: 1.3112383468793438
Energy: 1.3430617719948794
Energy: 1.3125878692859403
Energy: 1.3029699256141414
Energy: 1.3388833097247375
Energy: 1.2109545873637626
Energy: 1.262407878540395
Energy: 1.5243597984639885
Energy: 1.4234901450823536
Energy: 1.4251599424825294
Energy: 1.5248654508277188
Energy: 1.210363041243211
Energy: 1.4230961696158153
Energy: 1.4866346835025044
Energy: 1.3117628317562584
Energy: 1.4948539301484438
Energy: 1.3490807187531797
Energy: 1.3116972186201057
Energy: 1.3106108039286106
Energy: 1.2102617805804698
Energy: 1.311710746934432
Energy: 1.5447383280255673
Energy: 1.2114223626979763
Energy: 1.360930205338381
Energy: 1.4021483145022542

minimum gb energy = 1.2102617805804698 eV
minimum distance =  2.49101034187293 Angstroms
sigma value = 11


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

Energy: 2.227842269603116
Energy: 1.8907890380164796
Energy: 1.6936777132515903
Energy: 1.6961812747887215
Energy: 1.9686931890543151
Energy: 1.7773765981015548
Energy: 1.6145695600678138
Energy: 1.3767958234186324
Energy: 1.3757353925073896
Energy: 1.5693539751356045
Energy: 1.3984290469834182
Energy: 1.3744348186696538
Energy: 1.544963259107021
Energy: 1.4941080170301277
Energy: 1.5630761953824261
Energy: 1.5689832847039256
Energy: 1.4315116665868068
Energy: 1.4963819403784238
Energy: 1.5340864398683325
Energy: 1.3973332281194941
Energy: 1.5003421496533376
Energy: 1.5338101172977587
Energy: 1.4718153527800901
Energy: 1.4476842253456366
Energy: 1.5448855559359806
Energy: 1.4000577910704144
Energy: 1.3760410738987994
Energy: 1.5466015379099465
Energy: 1.399444516420412
Energy: 1.3752523089325226
Energy: 1.4994059309745
Energy: 1.4091793511579223
Energy: 1.409688178041798
Energy: 1.3777405848670057
Energy: 1.408076648589241
Energy: 1.4096170245376365
Energy: 1.4079651865224065
Energy: 1.4088120845043255
Energy: 1.409675982746858
Energy: 1.408041115513245
Energy: 1.3945112167656049
Energy: 1.40987747954135
Energy: 1.3996520599317992
Energy: 1.538995436571992
Energy: 1.3756335627444631
Energy: 1.3991795572245644
Energy: 1.549670937302902
Energy: 1.3755107483665525
Energy: 1.3845283886153998
Energy: 1.5112977587184298
Energy: 1.5574585932554366
Energy: 1.4468019705684902
Energy: 1.5228668443730722
Energy: 1.45389269333708
Energy: 1.3645149769861453
Energy: 1.5901557428073592
Energy: 1.498459795482398
Energy: 1.468055162265222
Energy: 1.7053130674731223
Energy: 1.4538249692236578
Energy: 1.399692740511283
Energy: 1.440952593791678
Energy: 1.3752566298935411
Energy: 1.400050567095022
Energy: 1.4461693462221847
Energy: 1.3752057954556505
Energy: 1.5927122108882077
Energy: 1.3894817672964064
Energy: 1.6234910628908978
Energy: 1.5873343165324068
Energy: 1.5585711988105495
Energy: 1.6455257170366153
Energy: 1.3765733433221785
Energy: 1.5391714348107708
Energy: 1.5063789098168603
Energy: 1.3762963445086462
Energy: 1.5572820368819251
Energy: 1.374988241237298
Energy: 1.4282760056780788
Energy: 1.5862656339576646
Energy: 1.627487428873088
Energy: 1.4419747807899879
Energy: 1.5429048926600364
Energy: 1.4976360895773906
Energy: 1.3456256295050772
Energy: 1.4601809004476298
Energy: 1.3882727409836646
Energy: 1.3460177891071703
Energy: 1.535100952778925
Energy: 1.3897285103301145
Energy: 1.3461187339947436
Energy: 1.3458329152473527
Energy: 1.3456794914211918
Energy: 1.34585737954427
Energy: 1.4487473667280504
Energy: 1.3451046492624554
Energy: 1.3445044865837392
Energy: 1.420199277128618
Energy: 1.449388745129551
Energy: 1.3447018469920684
Energy: 1.4907994934960356
Energy: 1.4282546580149578
Energy: 1.602598233449044
Energy: 1.4598493570585338
Energy: 1.458614272325143
Energy: 1.4398062886066405
Energy: 1.4563584039260071
Energy: 1.4819473323681014
Energy: 1.4179987483098357
Energy: 1.4253947886501408
Energy: 1.408792185784063
Energy: 1.451558919663423
Energy: 1.510297208709644
Energy: 1.4485817440363415
Energy: 1.4478046879504085
Energy: 1.4930717256046186
Energy: 1.6471781163874986
Energy: 1.4499046137002345
Energy: 1.4896618153893357
Energy: 1.5111268120491852
Energy: 1.5509589491641484
Energy: 1.445524155104554
Energy: 1.4753234797475236
Energy: 1.5533364056592545
Energy: 1.4327245334999563
Energy: 1.443771845356592
Energy: 1.393169339200161
Energy: 1.4702540528763166
Energy: 1.4434835890022926
Energy: 1.375705531926914
Energy: 1.5176156970575796
Energy: 1.4446519450857682
Energy: 1.5287805030660024
Energy: 1.4447415386832898
Energy: 1.5967657626213503
Energy: 1.492265741352774
Energy: 1.4383423571542278
Energy: 1.4179857530261968
Energy: 1.5099333849951369
Energy: 1.4494657156835788
Energy: 1.4861066062356105
Energy: 1.510732675690041
Energy: 1.4496289029683127
Energy: 1.4481068538362276
Energy: 1.555955051083935
Energy: 1.4455624896895685
Energy: 1.4815753249117989
Energy: 1.5529508311980937
Energy: 1.409887572907486
Energy: 1.4560579735742898
Energy: 1.551114300844232
Energy: 1.346070145254978
Energy: 1.416690238711079
Energy: 1.536228827847966
Energy: 1.3457305342353465
Energy: 1.4286082153032342
Energy: 1.5292686130910103
Energy: 1.3446592995638547
Energy: 1.3450962160695001
Energy: 1.5378918293248285
Energy: 1.3447501432675981
Energy: 1.3451898207746324
Energy: 1.5683256516600383
Energy: 1.3449674911090626
Energy: 1.4342153699472917
Energy: 1.5690816348773997
Energy: 1.3457786019719082
Energy: 1.3900628148764045
Energy: 1.544343184338464
Energy: 1.473849139797864
Energy: 1.5160833286737498
Energy: 1.4427385850722545
Energy: 1.3881706493871402
Energy: 1.5939232506826506
Energy: 1.6855876966344225
Energy: 1.3813058701174434
Energy: 1.3801278751867798
Energy: 1.6872820381033564
Energy: 1.38107210274812
Energy: 1.3760319778075598
Energy: 1.4801941567579278
Energy: 1.3765831127253856
Energy: 1.540988368205902
Energy: 1.489625535174303
Energy: 1.376203599743727
Energy: 1.5127222677372383

minimum gb energy = 1.3445044865837392 eV
minimum distance =  2.46019852540406 Angstroms
sigma value = 57


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

Energy: 1.9740279079788274
Energy: 1.615936532562151
Energy: 1.6126741960098725
Energy: 1.6135411429966444
Energy: 1.6930128095778065
Energy: 1.6129362470638497
Energy: 1.210560258219146
Energy: 1.2896955715550487
Energy: 1.2803151373771624
Energy: 1.2882824693799566
Energy: 1.2887445280759162
Energy: 1.2787513523521001
Energy: 1.4411348685847816
Energy: 1.3754834013047177
Energy: 1.2780406589904947
Energy: 1.434664575135903
Energy: 1.2755995573630923
Energy: 1.2903609688630102
Energy: 1.2902213030245142
Energy: 1.2798349331595322
Energy: 1.2788530675071708
Energy: 1.2922287023925578
Energy: 1.3346104667295302
Energy: 1.2822012270556804
Energy: 1.3469001782134005
Energy: 1.314761876322245
Energy: 1.2813487739460663
Energy: 1.3466550130857322
Energy: 1.4423262715357603
Energy: 1.279134454849547
Energy: 1.3456680202875992
Energy: 1.4363600982089695
Energy: 1.4371481360150518
Energy: 1.2877456912168779
Energy: 1.4351906414098576
Energy: 1.4370701675434807
Energy: 1.4387971547720726
Energy: 1.3606563491519303
Energy: 1.2412088655683666
Energy: 1.442425114549986
Energy: 1.3322528251302874
Energy: 1.4376543536387945
Energy: 1.4374475798142659
Energy: 1.2880682813519508
Energy: 1.2799784408394272
Energy: 1.4388695945987933
Energy: 1.346501932825644
Energy: 1.2809473590674236
Energy: 1.211553956216535
Energy: 1.288300471638429
Energy: 1.5090088756064226
Energy: 1.2101087941392055
Energy: 1.2876071934974853
Energy: 1.3356361762328286
Energy: 1.2108602898272247
Energy: 1.4358946641834498
Energy: 1.509289849032081
Energy: 1.2104118801453605
Energy: 1.4358297023987678
Energy: 1.3330879424402604
Energy: 1.4368468189962222
Energy: 1.2893394326131375
Energy: 1.2814013294026418
Energy: 1.4379933637468025
Energy: 1.3473023889207172
Energy: 1.2807061928489472
Energy: 1.8706808764888123
Energy: 1.2763895452144722
Energy: 1.2762841270014087
Energy: 1.8678612456204848
Energy: 1.2754264399895374
Energy: 1.2909896310238758
Energy: 1.286456460701415
Energy: 1.28913726697265
Energy: 1.2813013515278262
Energy: 1.2869358654796867
Energy: 1.2894332539426998
Energy: 1.3424526907407754
Energy: 1.289810151079653
Energy: 1.4353054501447227
Energy: 1.4368493792113768
Energy: 1.287783730062685
Energy: 1.4416229063141424
Energy: 1.4361029579630886
Energy: 1.3466404222632047
Energy: 1.333872870146476
Energy: 1.2883247978490031
Energy: 1.3467564674446506
Energy: 1.3322828401658091
Energy: 1.279511918304489
Energy: 1.4417823145752289
Energy: 1.3320434697837256
Energy: 1.2102733063603657
Energy: 1.4378839440994686
Energy: 1.3314477185776163
Energy: 1.2879955835519317
Energy: 1.2108421500742488
Energy: 1.2885891920517887
Energy: 1.2817031235322156
Energy: 1.2104387913147894
Energy: 1.2879967516202004
Energy: 1.2797528759659238

minimum gb energy = 1.2101087941392055 eV
minimum distance =  2.49568772930565 Angstroms
sigma value = 9


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

Energy: 2.343766395759362
Energy: 2.0016478013135273
Energy: 1.599372076746064
Energy: 1.5910796310967943
Energy: 1.5848004887294034
Energy: 1.5992867141411717
Energy: 1.4290742948669493
Energy: 1.3910253053268051
Energy: 1.3908539036495657
Energy: 1.527471771014419
Energy: 1.4153659097416267
Energy: 1.3772554286145893
Energy: 1.4813196170817877
Energy: 1.373573682981123
Energy: 1.3735493524107514
Energy: 1.4826913322941206
Energy: 1.5124881366185239
Energy: 1.479076033144839
Energy: 1.3736571563554083
Energy: 1.3757428158657876
Energy: 1.3758570663610306
Energy: 1.3741201015691429
Energy: 1.379582664945106
Energy: 1.374544942337431
Energy: 1.5244257980081306
Energy: 1.4159980146471862
Energy: 1.3738545343590012
Energy: 1.5288646009542664
Energy: 1.4191204218880697
Energy: 1.3593013899964954
Energy: 1.3661358324998463
Energy: 1.4310569361581342
Energy: 1.4547438603406173
Energy: 1.3662991635744817
Energy: 1.4085820759337846
Energy: 1.4535647205442983
Energy: 1.4940825873371366
Energy: 1.3486178353504334
Energy: 1.3878023803690624
Energy: 1.4960425892532276
Energy: 1.4804923710896176
Energy: 1.3872313350173266
Energy: 1.415389680146459
Energy: 1.3492490784230893
Energy: 1.4361191034231242
Energy: 1.4152499730567814
Energy: 1.3468806014195935
Energy: 1.3708184025270433
Energy: 1.4394376875753634
Energy: 1.5013408972542144
Energy: 1.4836310569193711
Energy: 1.4262519808292562
Energy: 1.5062596349629018
Energy: 1.3681725726976575
Energy: 1.440266518731035
Energy: 1.3657930421387836
Energy: 1.3663189948274193
Energy: 1.3681349884567313
Energy: 1.3703824694639946
Energy: 1.3658291792346524
Energy: 1.4133142645653964
Energy: 1.4239004014913206
Energy: 1.4248061499578824
Energy: 1.4135824226193905
Energy: 1.431551074273775
Energy: 1.3666948149902176
Energy: 1.4150429871760388
Energy: 1.376391896933451
Energy: 1.3764207365306322
Energy: 1.4150035191062245
Energy: 1.4486630544254486
Energy: 1.3920281895875344
Energy: 1.829330954037575
Energy: 1.3733678204428432
Energy: 1.3738941545327472
Energy: 1.3814306332912
Energy: 1.3739266195124835
Energy: 1.398396257398721
Energy: 1.4301940475633925
Energy: 1.3898815254170604
Energy: 1.3501525511055752
Energy: 1.3778627680140154
Energy: 1.393829413685887
Energy: 1.4230656550540743
Energy: 1.4459821597824718
Energy: 1.42817810016999
Energy: 1.3617959288796073
Energy: 1.4484610220539227
Energy: 1.4302307158901653
Energy: 1.4170946696730917
Energy: 1.4156690574171014
Energy: 1.371015011537453
Energy: 1.3606969507529005
Energy: 1.415904056265267
Energy: 1.4458876269779388
Energy: 1.5497223787038694
Energy: 1.3893314140416233
Energy: 1.3972480542918266
Energy: 1.3737759230766173
Energy: 1.389829919320962
Energy: 1.4354059592471329
Energy: 1.374024148616474
Energy: 1.6920631489106233
Energy: 1.3911834565888994
Energy: 1.390467212243158
Energy: 1.37457569644085
Energy: 1.3918359464974204
Energy: 1.3749869620061654
Energy: 1.3905133288023988
Energy: 1.3756237609287447
Energy: 1.3774897534178376
Energy: 1.3902657389477784
Energy: 1.555256948140097
Energy: 1.376717101964009
Energy: 1.3915815154135431
Energy: 1.4548128874452053
Energy: 1.3733986037717507
Energy: 1.3927485192748208
Energy: 1.3751891162632797
Energy: 1.3508534371514074
Energy: 1.3894380340482475
Energy: 1.3907167062008785
Energy: 1.3907446315278154
Energy: 1.3427601313966413
Energy: 1.390338352928784
Energy: 1.390602878452426

minimum gb energy = 1.3427601313966413 eV
minimum distance =  2.46127985944045 Angstroms
sigma value = 27


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

Energy: 1.873761506153926
Energy: 1.6100193888540115
Energy: 1.3576230146229196
Energy: 1.6131944320436595
Energy: 2.2276667370453884
Energy: 1.3580487923925806
Energy: 1.3876494834531365
Energy: 1.521060124660044
Energy: 1.4364919810173848
Energy: 1.5192032368095933
Energy: 1.5199877594353524
Energy: 1.5161618381573772
Energy: 1.4727672705761734
Energy: 1.4731513821999391
Energy: 1.4084839597201215
Energy: 1.4731461611831096
Energy: 1.4987577842421502
Energy: 1.4078211451494786
Energy: 1.5172409604721306
Energy: 1.5192702372990274
Energy: 1.5177025195452638
Energy: 1.5196519059397402
Energy: 1.559179680016916
Energy: 1.4758225395580167
Energy: 1.4922104683415627
Energy: 1.5050484845359517
Energy: 1.5028150374169367
Energy: 1.4929708479028987
Energy: 1.5043357557668695
Energy: 1.460091468332332
Energy: 1.5869350596162557
Energy: 1.5061466765799185
Energy: 1.470780555353008
Energy: 1.5872222290681273
Energy: 1.5024957614806767
Energy: 1.478600057136356
Energy: 1.551558430344675
Energy: 1.4248543844289463
Energy: 1.422795018810838
Energy: 1.5510946294706194
Energy: 1.422412832105555
Energy: 1.4238296430119664
Energy: 1.5014065399318748
Energy: 1.3517163588171455
Energy: 1.4803963164133334
Energy: 1.5013818358271054
Energy: 1.3514737013936733
Energy: 1.6059120414610426
Energy: 1.505063636120506
Energy: 1.2750810672510804
Energy: 1.275826797123631
Energy: 1.3904614691617962
Energy: 1.4863641222868949
Energy: 1.2837435084469195
Energy: 1.6071114487719664
Energy: 1.2325404963214295
Energy: 1.2302097521531568
Energy: 1.231197901787292
Energy: 1.234082886916875
Energy: 1.2320673544171579
Energy: 1.501755227580862
Energy: 1.3520037405369432
Energy: 1.374647394801643
Energy: 1.5009728209527329
Energy: 1.5139330847486194
Energy: 1.4860384074990751
Energy: 1.2300515511797847
Energy: 1.2301879141310703
Energy: 1.2338775548844183
Energy: 1.2306623005758197
Energy: 1.234187688531449
Energy: 1.2321417271236907
Energy: 1.4113894948292596
Energy: 1.2347381652953304
Energy: 1.2361737018991392
Energy: 1.4003573597305556
Energy: 1.234518823537903
Energy: 1.2347799254077265
Energy: 1.430151766043468
Energy: 1.235252928233532
Energy: 1.2332199898506866
Energy: 1.4308550220398593
Energy: 1.2339487473583843
Energy: 1.230592024748816
Energy: 1.3183323944145569
Energy: 1.275569945917006
Energy: 1.2721342561553992
Energy: 1.3197452735321107
Energy: 1.3083019774014304
Energy: 1.2755484350267137
Energy: 1.6329501872177723
Energy: 1.4884617298335354
Energy: 1.512678481444323
Energy: 1.634545440423591
Energy: 1.4883350997875295
Energy: 1.4047762694143597
Energy: 1.4091607570955527
Energy: 1.2350071947073427
Energy: 1.3525822015528153
Energy: 1.4094737108923707
Energy: 1.2355593287371942
Energy: 1.2304803156827888
Energy: 1.6411791648356562
Energy: 1.394801609299982
Energy: 1.5081066079696528
Energy: 1.4792413893717462
Energy: 1.3956726282635288
Energy: 1.3996750337129635
Energy: 1.4972804232452308
Energy: 1.329133114049205
Energy: 1.4225888502353508
Energy: 1.4978514485384962
Energy: 1.3285686509213204
Energy: 1.3287807818441872
Energy: 1.550622143702031
Energy: 1.3296689723730604
Energy: 1.4240100947737204
Energy: 1.5501030703490377
Energy: 1.3284271925165387
Energy: 1.426396982250058
Energy: 1.6846533687080802
Energy: 1.4976937284474818
Energy: 1.477900938146208
Energy: 1.5424043688156248
Energy: 1.501714917776047
Energy: 1.47712931263274
Energy: 1.4885093308231678
Energy: 1.64306307365509
Energy: 1.575219733460461
Energy: 1.4886618036567056
Energy: 1.6367954914978315
Energy: 1.5718552994791726
Energy: 1.5084026714495864
Energy: 1.4714728267019261
Energy: 1.4715593978019283
Energy: 1.5445640712707849
Energy: 1.4706113322197034
Energy: 1.470585474300645
Energy: 1.383963507480885
Energy: 1.519584157627557
Energy: 1.5149824319925382
Energy: 1.381960698558217
Energy: 1.5499188734746245
Energy: 1.4821401565802328
Energy: 1.3896594402533593
Energy: 1.6561402838910246
Energy: 1.6583161109005928
Energy: 1.3601351838631177
Energy: 1.6573290654104325
Energy: 1.440750172038517

minimum gb energy = 1.2300515511797847 eV
minimum distance =  2.47118587724383 Angstroms
sigma value = 19


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

Energy: 1.5294596868470909
Energy: 1.3846581282267187
Energy: 1.3781109880563391
Energy: 1.5307570299359567
Energy: 1.3957983294724299
Energy: 1.3761076561270813
Energy: 1.657883098357489
Energy: 1.4391902571969204
Energy: 1.4246864898884306
Energy: 1.4734134879054057
Energy: 1.438487321870423
Energy: 1.4071974604913728
Energy: 1.4388353858960738
Energy: 1.405247239561032
Energy: 1.4209499041952545
Energy: 1.4395264355815922
Energy: 1.3974810706336023
Energy: 1.4217025135069834
Energy: 1.4385312268985497
Energy: 1.426687360240348
Energy: 1.4965498355164664
Energy: 1.4387378658515961
Energy: 1.4377974988526787
Energy: 1.4061763891786518
Energy: 1.5365814402583586
Energy: 1.423538462242097
Energy: 1.4212025480910249
Energy: 1.5423807435406163
Energy: 1.4404512280703283
Energy: 1.5519127563609931
Energy: 1.438032868437839
Energy: 1.4399567489261829
Energy: 1.405355906911907
Energy: 1.438072362472192
Energy: 1.4360560477065847
Energy: 1.4291421204863133
Energy: 1.3934989683374874
Energy: 1.3961508162355256
Energy: 1.399347971516833
Energy: 1.3936604418639371
Energy: 1.3955339201824473
Energy: 1.4024107804465396
Energy: 1.420078797180605
Energy: 1.3977224624666087
Energy: 1.4069415557667235
Energy: 1.4200333086706864
Energy: 1.3978857648693652
Energy: 1.4226288422861508
Energy: 1.5013809511581426
Energy: 1.4225983447470751
Energy: 1.4227792917906787
Energy: 1.5084258663290795
Energy: 1.440430399846672
Energy: 1.4091982107843197
Energy: 1.3953654382290144
Energy: 1.4452717828040016
Energy: 1.4079188076138198
Energy: 1.352970966252823
Energy: 1.441070200025641
Energy: 1.405554241885621
Energy: 1.5207768729644189
Energy: 1.3861891745875112
Energy: 1.3857503421314132
Energy: 1.5233587228143364
Energy: 1.3866416070461791
Energy: 1.5009546862878844
Energy: 1.402122703665707
Energy: 1.5077453630971145
Energy: 1.358189172485155
Energy: 1.401937649400834
Energy: 1.4461982229037538
Energy: 1.3731114613784887
Energy: 1.5793429336069331
Energy: 1.441986597406406
Energy: 1.4028115305937399
Energy: 1.3924804612805266
Energy: 1.4705754883427908
Energy: 1.4034950292307402
Energy: 1.5108986901673673
Energy: 1.4617551317173598
Energy: 1.460202732937819
Energy: 1.5086540973133789
Energy: 1.4655828830964965
Energy: 1.4602135509344498
Energy: 1.400486009765265
Energy: 1.3561537730238207
Energy: 1.3579512244607126
Energy: 1.4009901937571492
Energy: 1.4533830344044256
Energy: 1.380367411221718
Energy: 1.4009472170354562
Energy: 1.3577080255384875
Energy: 1.370172734298773
Energy: 1.4011534366942582
Energy: 1.463788389298252
Energy: 1.372174072019571
Energy: 1.458899266416513
Energy: 1.412403660596356
Energy: 1.4329387391235413
Energy: 1.3745994068704697
Energy: 1.4099258346506658
Energy: 1.4308512384740528
Energy: 1.5146814735427514
Energy: 1.4042988274891688
Energy: 1.3891091477229853
Energy: 1.4756675298375745
Energy: 1.4020287786266858
Energy: 1.372200478488586
Energy: 1.4657593006040133
Energy: 1.3965070529646844
Energy: 1.3988021750555317
Energy: 1.465446193056804
Energy: 1.5043785969929706
Energy: 1.44595572225865
Energy: 1.4421305604334334
Energy: 1.3961626637552578
Energy: 1.3988432782374352
Energy: 1.4449048725509672
Energy: 1.501007376772907
Energy: 1.3766079419790322
Energy: 1.4563092534185034
Energy: 1.4005364291838573
Energy: 1.3797648465714252
Energy: 1.458879271869622
Energy: 1.4016805662407177
Energy: 1.3730379173087022
Energy: 1.4737132803539685
Energy: 1.4009201416826713
Energy: 1.383694958891809
Energy: 1.4696707138779481
Energy: 1.402578557806929
Energy: 1.3611765684463804
Energy: 1.4824387391247853
Energy: 1.4202877081217256
Energy: 1.4205706993182439
Energy: 1.4828315739257845
Energy: 1.5544418129189737
Energy: 1.3798274596131492
Energy: 1.5068053804972494
Energy: 1.457558837941792
Energy: 1.3615117426695578
Energy: 1.5068590139477378
Energy: 1.3734648632995976
Energy: 1.4603305997202563
Energy: 1.503748777296114
Energy: 1.4035813256747194
Energy: 1.4018101715752629
Energy: 1.4973872776730972
Energy: 1.4020742809582227
Energy: 1.3728889544939207
Energy: 1.4971885043771893
Energy: 1.4214129414881627
Energy: 1.4078273769286176
Energy: 1.4990947901203295
Energy: 1.4217296679059626
Energy: 1.4057409918295518
Energy: 1.4386891890996385
Energy: 1.40542588007483
Energy: 1.4080705502971427
Energy: 1.4386309946867784
Energy: 1.5137296414936865
Energy: 1.4077782452402368
Energy: 1.4383950161816876
Energy: 1.5065789428722758
Energy: 1.3940479171398108
Energy: 1.4405016335074337
Energy: 1.4950886982393314
Energy: 1.399880789388903
Energy: 1.3972334822770784
Energy: 1.5762111211383636
Energy: 1.5762943532373275
Energy: 1.3734068375004505
Energy: 1.5763423312556877
Energy: 1.3594540170730711

minimum gb energy = 1.352970966252823 eV
minimum distance =  2.50613224982681 Angstroms
sigma value = 101


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

Energy: 2.0397983660291046
Energy: 1.4239923290978802
Energy: 1.4247179632809053
Energy: 1.7246239326021862
Energy: 1.4117002171631952
Energy: 1.7240749071907864
Energy: 1.5635458273428078
Energy: 1.434987492043688
Energy: 1.423566212703451
Energy: 1.4194581365316246
Energy: 1.4442238200781785
Energy: 1.395424219900029
Energy: 1.446114243788449
Energy: 1.4013375494949711
Energy: 1.416227915099232
Energy: 1.4471294019370657
Energy: 1.3952113812747176
Energy: 1.416001652051846
Energy: 1.4415042983762125
Energy: 1.4228641833272795
Energy: 1.4578243239872837
Energy: 1.4424433766855327
Energy: 1.4350068575953672
Energy: 1.45681340458485
Energy: 1.4775608203664679
Energy: 1.4190012396174823
Energy: 1.417744173686156
Energy: 1.483003579399872
Energy: 1.4480292729994821
Energy: 1.488302360240301
Energy: 1.4440442014313688
Energy: 1.4189530783135962
Energy: 1.4580478879786805
Energy: 1.4455878194121972
Energy: 1.4179135351343208
Energy: 1.3778700484535549
Energy: 1.41656937029503
Energy: 1.3864740700499185
Energy: 1.5736087436933366
Energy: 1.4172016609747926
Energy: 1.3867827732584612
Energy: 1.5758050010266123
Energy: 1.4658243215265596
Energy: 1.5018738225848887
Energy: 1.4802533886908835
Energy: 1.467950164277902
Energy: 1.4400522240157894
Energy: 1.4796862254254437
Energy: 1.4427845742865
Energy: 1.4548360887531875
Energy: 1.4620644814514832
Energy: 1.4372077830566197
Energy: 1.4468773854593593
Energy: 1.463720017628245
Energy: 1.4461257534770176
Energy: 1.4472926217579327
Energy: 1.4000064111156327
Energy: 1.4596199299494448
Energy: 1.4469202883146208
Energy: 1.4615670855646798
Energy: 1.5823603586579686
Energy: 1.3585086923817473
Energy: 1.5519765900821898
Energy: 1.585965228276246
Energy: 1.3577652126971416
Energy: 1.3750344537504509
Energy: 1.4470578039720892
Energy: 1.4619134190478538
Energy: 1.4656770505672123
Energy: 1.4465588693226519
Energy: 1.5072646325674506
Energy: 1.3999556040604013
Energy: 1.427473813960375
Energy: 1.417923570747955
Energy: 1.4188699033914258
Energy: 1.4634620910485638
Energy: 1.4164147670142186
Energy: 1.4554298410759006
Energy: 1.439559901904858
Energy: 1.3919249640350273
Energy: 1.379163334779184
Energy: 1.4367533262936532
Energy: 1.3903806474280345
Energy: 1.4585419216740567
Energy: 1.4462145925816525
Energy: 1.451683187153897
Energy: 1.4673212352381073
Energy: 1.449094241176313
Energy: 1.4483677967805644
Energy: 1.4654940946110693
Energy: 1.4453519624619866
Energy: 1.3777158950613233
Energy: 1.3775264581960855
Energy: 1.448343255046222
Energy: 1.390179646768065
Energy: 1.4587332228736687
Energy: 1.380405158718229
Energy: 1.5915595056179292
Energy: 1.4269504400934412
Energy: 1.3576321392006998
Energy: 1.5962494219812908
Energy: 1.724672895295366
Energy: 1.5667295371904375
Energy: 1.432532185922467
Energy: 1.432960734370932
Energy: 1.5687419726117422
Energy: 1.4355140396218724
Energy: 1.3835848140606417
Energy: 1.4453622551493381
Energy: 1.4680722808283913
Energy: 1.4025402775051656
Energy: 1.4461752071184168
Energy: 1.454167247208633
Energy: 1.4187235919196228
Energy: 1.436602511233042
Energy: 1.467479564142237
Energy: 1.3950808031278161
Energy: 1.438159097443071
Energy: 1.4299737361262732
Energy: 1.3954262519691523
Energy: 1.4825725074647724
Energy: 1.5853535091602537
Energy: 1.5860912078757774
Energy: 1.4780596437615305
Energy: 1.6184802304921004
Energy: 1.4830872690485157
Energy: 1.4659735626230872
Energy: 1.4169406101896884
Energy: 1.3966453890729558
Energy: 1.4369215372420063
Energy: 1.4205583125511003
Energy: 1.3956299023709353
Energy: 1.465992766443967
Energy: 1.3870023979813593
Energy: 1.436996617641384
Energy: 1.4665750073093768
Energy: 1.4461353769742584
Energy: 1.4040578484313935
Energy: 1.4697841049182876
Energy: 1.372498660013949
Energy: 1.389728492098534
Energy: 1.4663964912611265
Energy: 1.4370435286094043
Energy: 1.4814406389400467
Energy: 1.4510250408200227
Energy: 1.4177398020087464
Energy: 1.4041117515568433
Energy: 1.4379400722693794
Energy: 1.448447249364367
Energy: 1.3993890967004778
Energy: 1.4416092794537088
Energy: 1.41821114294363
Energy: 1.4009213297572174
Energy: 1.43867284356881
Energy: 1.4476032532836025
Energy: 1.4005307275972354
Energy: 1.582930359032337
Energy: 1.3578426693572543
Energy: 1.3780481170714487
Energy: 1.5823582115255972
Energy: 1.358165712938317
Energy: 1.3772132251013014
Energy: 1.445952888334806
Energy: 1.3831261176711869
Energy: 1.3581315144261021
Energy: 1.4464343327777145
Energy: 1.385860707815577
Energy: 1.4195552981333355
Energy: 1.4284614690096624
Energy: 1.470840935082481
Energy: 1.50382897425486
Energy: 1.4289337292503401
Energy: 1.4719157609892812
Energy: 1.4569429999860115
Energy: 1.4279248893954097
Energy: 1.411621328482408
Energy: 1.3993402315168781
Energy: 1.4320826490009282
Energy: 1.409406128376013
Energy: 1.3957678702569394
Energy: 1.4457751831883285
Energy: 1.4515522766838045
Energy: 1.4601728110244137
Energy: 1.4461420119669814
Energy: 1.451046665959343
Energy: 1.4038373198582614
Energy: 1.4456421033034925
Energy: 1.4521820131419625
Energy: 1.468226895254275
Energy: 1.4473117378835043
Energy: 1.4589548438741793
Energy: 1.40666516737794
Energy: 1.3809342060226673
Energy: 1.4978671737193758
Energy: 1.4256863697007454
Energy: 1.3857062698538465
Energy: 1.4958301317138014
Energy: 1.4189236569142625

minimum gb energy = 1.3576321392006998 eV
minimum distance =  2.47186182226453 Angstroms
sigma value = 33


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

Energy: 0.022709252831844405
Energy: 0.024655351433658126
Energy: 0.02348967521426304
Energy: 0.022820109241925495
Energy: 1.1241217683071467
Energy: 0.023140705816386782
Energy: 0.023731753972862916
Energy: 0.28344261564241774
Energy: 0.283688543627848
Energy: 0.2836187082291697
Energy: 0.2835574166569483
Energy: 0.2836010453145799
Energy: 1.6569329372131976
Energy: 1.1241216325126306
Energy: 1.1259136411697952
Energy: 1.1205340937769084
Energy: 1.122140141883628
Energy: 1.1239318667423845
Energy: 0.8043068144370948
Energy: 0.28344261564241774
Energy: 0.283688543627848
Energy: 0.2836187082291697
Energy: 0.2835574166569483
Energy: 0.2836010453141785

minimum gb energy = 0.022709252831844405 eV
minimum distance =  2.6540518100914 Angstroms
sigma value = 1