Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917568326
cohesive_energy=4.450350014971251
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.46424379369004e-19, 3.2431099207764596e-19, 3.8238669070687797e-19, 4.2934809002605197e-19, 4.68817711404642e-19, 5.02724575509984e-19, 5.322430778147999e-19, 5.58159887046384e-19, 5.810293563201e-19, 6.01261642854252e-19, 6.1917237544573795e-19, 6.35011493649462e-19, 6.48982473897942e-19, 6.612487382078459e-19, 6.719496759463319e-19, 6.81202246007682e-19, 6.89110589873106e-19, 6.95759622904206e-19, 7.012278517560479e-19, 7.055809656706259e-19, 7.088798473600319e-19, 7.11180573006456e-19, 7.1252800355565e-19, 7.1296860213e-19, 7.12492755669702e-19, 7.109514617477939e-19, 7.081444482850259e-19, 7.038361953161999e-19, 6.977431175770979e-19, 6.895223492680439e-19, 6.787573244641979e-19, 6.64941755349216e-19, 6.474539973891059e-19, 6.2552981232945e-19, 5.982159050730179e-19, 5.6432346055738195e-19, 5.223480349232159e-19, 4.70376629269524e-19, 4.0594830028648193e-19, 3.2586510341262596e-19, 2.25913314100536e-19, 1.0047233650047659e-19, -5.806480382812079e-20, -2.60190281008332e-19, -5.206417168080059e-19, -8.605915550101259e-19, -1.3112662182113519e-18, -1.9200965434846197e-18, -2.76173595109116e-18, -3.95894641908132e-18, -5.724208612656179e-18, -8.450680656032999e-18, -1.2930478677061378e-17, -2.09550284137494e-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: 0.022155128394249195
Energy: 0.022904735194858725
Energy: 1.1934407197414594
Energy: 1.1925647251644358
Energy: 1.0449088977476446
Energy: 0.3989695985197782
Energy: 0.023533493217463307
Energy: 0.02336456336929616
Energy: 1.0320059346267718
Energy: 0.30567869292867267
Energy: 0.8275451134706167
Energy: 0.7956284312770268
Energy: 0.023073498089912003
Energy: 0.14720891216774354
Energy: 0.022977845562350153
Energy: 1.0318905271893446
Energy: 0.7161084488915347
Energy: 1.0718123974298364
Energy: 0.8272646203046177
Energy: 0.1457356834593624
Energy: 0.14745441450365757
Energy: 0.025760286795118607
Energy: 0.7949313339333508
Energy: 0.7121213135951252
Energy: 1.1925317301940226
Energy: 1.0338988499890358
Energy: 0.14618616021482564
Energy: 0.02316109773592485
Energy: 0.3989725060885181
Energy: 1.038031847826394
Energy: 0.3059597502278816
Energy: 0.8273067659109093
Energy: 0.7950825820996339
Energy: 0.022943619751415678
Energy: 0.1457371852853926
Energy: 0.022828565056541118
Energy: 0.861789896038409
Energy: 0.7156650279172273
Energy: 1.0712328736858077
Energy: 0.8561677635763322
Energy: 0.14556075071679714
Energy: 0.14806625433657167

minimum gb energy = 0.022155128394249195 eV
minimum distance =  2.46844157917546 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.5203044810805222
Energy: 1.603891212988108
Energy: 1.63165680470949
Energy: 1.577108842911853
Energy: 1.6287339015424205
Energy: 1.6528259633759612
Energy: 1.6049064178819297
Energy: 1.411933895113473
Energy: 1.5595848992309915
Energy: 1.4644829738598129
Energy: 1.6465771794399096
Energy: 1.4644616849746561
Energy: 1.546884285177326
Energy: 1.489642192846647
Energy: 1.6379236612859662
Energy: 1.598416301622423
Energy: 1.6537323786833074
Energy: 1.5538097893060214
Energy: 1.5474953465369026
Energy: 1.6253114227869092
Energy: 1.625373345820681
Energy: 1.444930326977943
Energy: 1.6904218433768503
Energy: 1.4909633325674443
Energy: 1.610096357049307
Energy: 1.6089207299587749
Energy: 1.4717046097987765
Energy: 1.5873188067425088
Energy: 1.609299029304965
Energy: 1.5978046300717843
Energy: 1.4874783873675592
Energy: 1.5584072445028774
Energy: 1.5303459459006057
Energy: 1.6167567736442048
Energy: 1.6561429377012984
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Energy: 1.5043921818812833
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Energy: 1.560433042746716
Energy: 1.6374863556957178
Energy: 1.636331640219588
Energy: 1.513877546404159
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Energy: 1.4062139177635906
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Energy: 1.4634397529070096
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Energy: 1.5091676254778041
Energy: 1.5069154875276558
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Energy: 1.636562771226408
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Energy: 1.5322057910642672
Energy: 1.6309911182042651
Energy: 1.6312715300054919
Energy: 1.4521479736313816
Energy: 1.7289806557588197
Energy: 1.4810975359954002
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Energy: 1.5887475357726712
Energy: 1.5191588662931281
Energy: 1.7094387992983289
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Energy: 1.550042755630399
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Energy: 1.489686539672841
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Energy: 1.5552288956168574
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Energy: 1.5868457975786479
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Energy: 1.6061665385280155
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Energy: 1.5349876289879139
Energy: 1.5156684455697202
Energy: 1.5970062946649004
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Energy: 1.4562885792944407
Energy: 1.5549606470380324
Energy: 1.4847788202804906
Energy: 1.5472882211665826
Energy: 1.649342464205334
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Energy: 1.678254907913302
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Energy: 1.5547851075826606
Energy: 1.6232820314295884
Energy: 1.6164820953124632
Energy: 1.4889056495328203
Energy: 1.5991165490786658
Energy: 1.4826579623080716
Energy: 1.5298959391226088
Energy: 1.5326093842539097
Energy: 1.554928701148297
Energy: 1.6190181932828485
Energy: 1.5381782842848437
Energy: 1.4993026628153439
Energy: 1.541597257024399
Energy: 1.5460118142041395
Energy: 1.5249255410638405
Energy: 1.555978331117013
Energy: 1.6203103743783736
Energy: 1.427804160416193
Energy: 1.59214599550434
Energy: 1.489843628169443
Energy: 1.5312875488453321
Energy: 1.5732689660844734
Energy: 1.4361439382820038
Energy: 1.5708570389605103
Energy: 1.585784576326714
Energy: 1.5948147362290432
Energy: 1.5238964957843006
Energy: 1.7169884921441447
Energy: 1.7085916561060355
Energy: 1.5706007086114042
Energy: 1.5803788520849171
Energy: 1.3997106103701218
Energy: 1.5817808392182822
Energy: 1.4987261245751378
Energy: 1.5193074117981293
Energy: 1.5403158940834425
Energy: 1.5834324030937617
Energy: 1.562941726342799
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Energy: 1.5804684425344315
Energy: 1.566961004724138
Energy: 1.578709479494809
Energy: 1.5739010305175387
Energy: 1.5091252269757431
Energy: 1.5870531760645497

minimum gb energy = 1.394666734552714 eV
minimum distance =  2.19849742144816 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4426339593490027
Energy: 1.42091608905624
Energy: 1.635422161126112
Energy: 1.680681509413329
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Energy: 1.60125704807627
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Energy: 1.4267753436892916
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Energy: 1.5146554013812157
Energy: 1.6034568444942816
Energy: 1.4793191021257723
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Energy: 1.6366017584113606
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Energy: 1.4296725324681374
Energy: 1.683780972787047
Energy: 1.638964678141415
Energy: 1.503432864275657
Energy: 1.436252862349273
Energy: 1.5591642735382174
Energy: 1.4639149007650498
Energy: 1.4311177987427042
Energy: 1.4827547893704554
Energy: 1.6908333062408956
Energy: 1.6794180894482924
Energy: 1.4776188031101505
Energy: 1.5377145835141162
Energy: 1.5199752237945379
Energy: 1.475768059715489
Energy: 1.5148304036652174
Energy: 1.503286971739584
Energy: 1.4536022770744528
Energy: 1.5192591493403886
Energy: 1.4711624808611712
Energy: 1.582633970881564
Energy: 1.4332341435322131
Energy: 1.53857044012146
Energy: 1.5247688060232742
Energy: 1.418608761561767
Energy: 1.4795853186738273
Energy: 1.5635406854820564
Energy: 1.6093824507267893
Energy: 1.5700413805008582
Energy: 1.5048880098891433
Energy: 1.4589406263458173
Energy: 1.4238288750901185
Energy: 1.4022796686121457
Energy: 1.5275193137129854
Energy: 1.659437134708027
Energy: 1.4791141391595886
Energy: 1.3756402868982318
Energy: 1.4881506067122505
Energy: 1.437854635781069
Energy: 1.4610005829298573
Energy: 1.5603548261311924
Energy: 1.5265134710902395
Energy: 1.6443163664629104
Energy: 1.5212199073546675
Energy: 1.3972120865771402
Energy: 1.411446029217938
Energy: 1.5991208935254753
Energy: 1.4269573538362517
Energy: 1.499142507233736
Energy: 1.655842552115771
Energy: 1.464060268269951
Energy: 1.5262860162957328
Energy: 1.5938857902951213
Energy: 1.5664747182597438
Energy: 1.5020927836273572
Energy: 1.528967035614429
Energy: 1.5334739324990436
Energy: 1.6253188458824377
Energy: 1.6449001342602287
Energy: 1.4344476172090836
Energy: 1.4301171312438778
Energy: 1.4476812199941143
Energy: 1.4465586366458516
Energy: 1.4379348574786337
Energy: 1.3956045694846972
Energy: 1.6173358625624745
Energy: 1.6247562718198243
Energy: 1.56207185886025
Energy: 1.4587997504331227
Energy: 1.4218790084486763
Energy: 1.4455961889320648
Energy: 1.676302722582316
Energy: 1.6278835468831137
Energy: 1.4621569932642022
Energy: 1.5649900624818474
Energy: 1.3775437985795644
Energy: 1.4324732275842407
Energy: 1.4095978988918987
Energy: 1.3802053256338913
Energy: 1.6663803629346705
Energy: 1.662558153603157
Energy: 1.4848230977671342
Energy: 1.5206032656771362
Energy: 1.5407943979738705
Energy: 1.4801466198985078
Energy: 1.4875968865294578
Energy: 1.6258565618130834
Energy: 1.4655860918117725
Energy: 1.6276790041433675
Energy: 1.4240811131181947
Energy: 1.4327957943658205
Energy: 1.6141882209635499
Energy: 1.5114920261105391
Energy: 1.5807303348362862
Energy: 1.4805717263445484
Energy: 1.4537098278743839
Energy: 1.6588858805001
Energy: 1.5675748118718613
Energy: 1.5850897939174833
Energy: 1.5357669290202658
Energy: 1.4968253101598246
Energy: 1.431047273514454
Energy: 1.447757665465041
Energy: 1.4847502906574086
Energy: 1.4395760309962606
Energy: 1.6517523112786763
Energy: 1.4369342274653636
Energy: 1.456340935774184

minimum gb energy = 1.3727897426716429 eV
minimum distance =  2.20198261649687 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.4948159730519253
Energy: 1.6009363865048247
Energy: 1.5864508624763103
Energy: 1.5247631869640195
Energy: 1.5261931986477746
Energy: 1.4894360233062167
Energy: 1.648412879533344
Energy: 1.4535208012298797
Energy: 1.5401610490103748
Energy: 1.6244583099717174
Energy: 1.506078452374746
Energy: 1.5092923419992796
Energy: 1.4845185933348217
Energy: 1.5695794972382886
Energy: 1.5117718661493382
Energy: 1.4760729731460795
Energy: 1.516770012262629
Energy: 1.5655308105719383
Energy: 1.5767621218497043
Energy: 1.4722565281507245
Energy: 1.5152014085634722
Energy: 1.4331031959638039
Energy: 1.5284314131592864
Energy: 1.4447645755609748
Energy: 1.4736253505584085
Energy: 1.5227498435799722
Energy: 1.4793876758224576
Energy: 1.5877063808122882
Energy: 1.6030425608440129
Energy: 1.4729472705949023
Energy: 1.474471240497966
Energy: 1.5759174144348531
Energy: 1.4391447761012244
Energy: 1.6133281134962207
Energy: 1.5262295912371564
Energy: 1.5649389098008217
Energy: 1.486623839315324
Energy: 1.4494872443524969
Energy: 1.5039034537467078
Energy: 1.4981700933942137
Energy: 1.5827691301182152
Energy: 1.5092635318338257
Energy: 1.585667719713722
Energy: 1.5975653785420634
Energy: 1.5015346472250295
Energy: 1.483256262707474
Energy: 1.6685486038593382
Energy: 1.465202231192853
Energy: 1.6173522460488658
Energy: 1.5197269680630816
Energy: 1.5517631278166462
Energy: 1.5772125448743666
Energy: 1.486660520231933
Energy: 1.5751502766349048
Energy: 1.5048158705320374
Energy: 1.5501557376073969
Energy: 1.5436159775808969
Energy: 1.534448643454521
Energy: 1.6238473807158091
Energy: 1.5420092327611545
Energy: 1.526789034354059
Energy: 1.4783671880435023
Energy: 1.4882117451631172
Energy: 1.4835693842866822
Energy: 1.5042481602130002
Energy: 1.4458460703514429
Energy: 1.5422587459256167
Energy: 1.4078330172696125
Energy: 1.3905411600248379
Energy: 1.5270536461291295
Energy: 1.5302880608659895
Energy: 1.4532264657703924
Energy: 1.4887315417295839
Energy: 1.6076406251190367
Energy: 1.5449121407423505
Energy: 1.524802248270938
Energy: 1.4386240104197823
Energy: 1.499876283597664
Energy: 1.424595512913266
Energy: 1.4433369114778685
Energy: 1.4819810855229787
Energy: 1.4745783573231197
Energy: 1.5813179389693348
Energy: 1.4697299292429589
Energy: 1.52237851110647
Energy: 1.4905244802072986
Energy: 1.5434610433060016
Energy: 1.6032042760854994
Energy: 1.5900052970964098
Energy: 1.4591653332542371
Energy: 1.6189328148266795
Energy: 1.527740294614081
Energy: 1.526065937911294
Energy: 1.4969863405863821
Energy: 1.547879930128614
Energy: 1.5975157641565052
Energy: 1.5765548173123982
Energy: 1.5652245212115026
Energy: 1.5194467470105306
Energy: 1.49605022477049
Energy: 1.500847249058529
Energy: 1.5895358818509215
Energy: 1.4987507032897867
Energy: 1.4963741696282495
Energy: 1.5159861663362877
Energy: 1.3811804208373228
Energy: 1.4962290001909804
Energy: 1.4866561010375319
Energy: 1.557744954985313
Energy: 1.5455265420933646
Energy: 1.4487952335569716
Energy: 1.4480742807580291
Energy: 1.6771544285270186
Energy: 1.5398235737778585
Energy: 1.583731635348317
Energy: 1.5841458492802352
Energy: 1.5093134927681033
Energy: 1.5871295320504797
Energy: 1.4913663600570486
Energy: 1.5441017462414237
Energy: 1.4881064092174194
Energy: 1.5488564540008714
Energy: 1.4378426358386331
Energy: 1.3986430626103288
Energy: 1.4287597845116287
Energy: 1.5249951446194312
Energy: 1.5098510606585511
Energy: 1.485225892279686
Energy: 1.5929974452858469
Energy: 1.4933228648463068
Energy: 1.6167513844773473
Energy: 1.520140512814807
Energy: 1.6056925419052823
Energy: 1.5499019764296418
Energy: 1.5525737609330545
Energy: 1.594901841136542
Energy: 1.5353789213603433
Energy: 1.5068234870469719
Energy: 1.4895588553884773
Energy: 1.5840986547949847
Energy: 1.4873802961597828
Energy: 1.5853669040213922
Energy: 1.5271704385208078
Energy: 1.548026586354108
Energy: 1.5382761625767793
Energy: 1.4878733936183008
Energy: 1.5662918107047192
Energy: 1.3992089341946188
Energy: 1.492532341922887
Energy: 1.4813606978855245
Energy: 1.4574694542395272
Energy: 1.4487562677106265
Energy: 1.4580558489220357
Energy: 1.4602147204072542
Energy: 1.524718534061961
Energy: 1.4997194073747644
Energy: 1.5878486564908814
Energy: 1.612403709808413
Energy: 1.5788728120269735
Energy: 1.6103335280808548
Energy: 1.4697905061071244
Energy: 1.4426486773512441
Energy: 1.4968552146288203
Energy: 1.5023274353357277
Energy: 1.473555559023079
Energy: 1.4581411014539625
Energy: 1.3854156329176945
Energy: 1.4088891431718138
Energy: 1.5006577202252553
Energy: 1.5483978793123496
Energy: 1.4782627422804733
Energy: 1.5247160859617626
Energy: 1.5979209504845333
Energy: 1.5098840615087243
Energy: 1.4873030336666437
Energy: 1.45307039497155
Energy: 1.6292886133441857
Energy: 1.6065845083352273
Energy: 1.5330264719403388
Energy: 1.5832120569104098
Energy: 1.4923434791333179
Energy: 1.545412753159733
Energy: 1.5225994056718366
Energy: 1.4732485600291407
Energy: 1.4394753051319933
Energy: 1.4994815544350015
Energy: 1.5448152014270184
Energy: 1.4038969287989664
Energy: 1.4796538943093407
Energy: 1.590475660286137
Energy: 1.470619309510164
Energy: 1.5100875233222146
Energy: 1.4818983541160906
Energy: 1.435162559652825
Energy: 1.3785965200638997
Energy: 1.3936086366331242
Energy: 1.5376929420914798
Energy: 1.5905215170626674
Energy: 1.4886078254988355
Energy: 1.5770120550594406
Energy: 1.4885432600501505
Energy: 1.545832838584242
Energy: 1.4773086050592201
Energy: 1.47724582951351
Energy: 1.5098826126282612
Energy: 1.4721877595343227
Energy: 1.5894156556776236
Energy: 1.5282836679437029
Energy: 1.4640381350669431
Energy: 1.4861445557361395
Energy: 1.5433089111765523
Energy: 1.491452603733958
Energy: 1.4885833353856064
Energy: 1.5066251695047228
Energy: 1.5097491597934627
Energy: 1.4435448731595015
Energy: 1.5154890175028821
Energy: 1.5272405706186887
Energy: 1.5538344153744508
Energy: 1.4872671072273478
Energy: 1.534894988422985
Energy: 1.6281451998788696
Energy: 1.5352216794088964
Energy: 1.6464170466531767
Energy: 1.4413193933105168
Energy: 1.45394554390867
Energy: 1.4769760652303938
Energy: 1.4193749451260866
Energy: 1.628251171525485
Energy: 1.4578437786550134
Energy: 1.58549861343556
Energy: 1.5048584489559793
Energy: 1.4222583060516762
Energy: 1.5051972267676146
Energy: 1.553693172941327
Energy: 1.473525842109163
Energy: 1.5762321012617646
Energy: 1.4919373666284483
Energy: 1.5715179783831101
Energy: 1.5455451422811355
Energy: 1.4972358710393232
Energy: 1.5653750118892469
Energy: 1.424942591537557
Energy: 1.5649999388665015
Energy: 1.501672005831628
Energy: 1.5072900401512852
Energy: 1.5036207019474774
Energy: 1.5625888422754561
Energy: 1.5142465106343348
Energy: 1.521247022464465
Energy: 1.4564401472704946
Energy: 1.4986504442856243

minimum gb energy = 1.3785965200638997 eV
minimum distance =  2.21457320152903 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.322441315242284
Energy: 1.3224911206186198
Energy: 1.695883839099445
Energy: 1.5765098084858271
Energy: 1.443650668085469
Energy: 1.5066645733401092
Energy: 1.3669944309493949
Energy: 1.3246944485058503
Energy: 1.4147569495089596
Energy: 1.4633486936228022
Energy: 1.343001127058056
Energy: 1.365408950741659
Energy: 1.3658922580030712
Energy: 1.3658407003055117
Energy: 1.3718466083759944
Energy: 1.3693596986942467
Energy: 1.3929246847498282
Energy: 1.3975594043797612
Energy: 1.3873913071597954
Energy: 1.385640284134979
Energy: 1.3641598159345434
Energy: 1.353035650828933
Energy: 1.3892786069429124
Energy: 1.4501316117108938
Energy: 1.4155008714073098
Energy: 1.3782752443443589
Energy: 1.4647401188921807
Energy: 1.4634078034188553
Energy: 1.3882053211838137
Energy: 1.3238500799810475
Energy: 1.3928904601245924
Energy: 1.3885725343394135
Energy: 1.3584684402162963
Energy: 1.619340554170505
Energy: 1.3636057884563972
Energy: 1.3225986624023125
Energy: 1.335010606389035
Energy: 1.3876032196115287
Energy: 1.5819963173200875
Energy: 1.4373847405106766
Energy: 1.359763888906687
Energy: 1.3630259759002035
Energy: 1.5675775045391398
Energy: 1.6235003682037548
Energy: 1.3731407886857823
Energy: 1.6421430896083793
Energy: 1.3696243729799464
Energy: 1.2735221291377627
Energy: 1.3718874769241103
Energy: 1.276145023099232
Energy: 1.4387983535153275
Energy: 1.6159618520335521
Energy: 1.4055736069228186
Energy: 1.466486489080003
Energy: 1.460999795339604
Energy: 1.3631603964199939
Energy: 1.2761109209539503
Energy: 1.4380209513768072
Energy: 1.6464512800296336
Energy: 1.435112028997456
Energy: 1.440510429263272
Energy: 1.4670845736460891
Energy: 1.3635822910192754
Energy: 1.603875797036235
Energy: 1.348281854627586
Energy: 1.4673870728148748
Energy: 1.3795319520693186
Energy: 1.3668529611820444
Energy: 1.3665116299767515
Energy: 1.3641788837358741
Energy: 1.374323757880326
Energy: 1.3902712374153159
Energy: 1.4347809689522228
Energy: 1.3156416940889843
Energy: 1.386548793108347
Energy: 1.3992584832790076
Energy: 1.463913431325456
Energy: 1.4041333109576115
Energy: 1.324402184357744
Energy: 1.4177793396516536
Energy: 1.309352944437846
Energy: 1.3425560366262823
Energy: 1.4614454379118025
Energy: 1.5728675035747546
Energy: 1.275760595223577
Energy: 1.3674896264324263
Energy: 1.4826588704705295
Energy: 1.4648067690019957
Energy: 1.4174964921075752
Energy: 1.418650093164281
Energy: 1.3694245117443629
Energy: 1.3901607898141302
Energy: 1.3097168913387771
Energy: 1.4288439508150332
Energy: 1.6654688208875854
Energy: 1.2779186572172907
Energy: 1.2720765640974507
Energy: 1.3730456799343351
Energy: 1.3229856255269667
Energy: 1.4171054490199355
Energy: 1.3737633910334115
Energy: 1.643604413316252
Energy: 1.2768053832574409
Energy: 1.3209882774482093
Energy: 1.373597441055642
Energy: 1.3226274470332322
Energy: 1.384725300587349
Energy: 1.6603934104940556
Energy: 1.3985057053091927
Energy: 1.615477431705132
Energy: 1.459851010291623
Energy: 1.3660814542003847
Energy: 1.4235023038286951
Energy: 1.4151380147297214
Energy: 1.4629261776959748
Energy: 1.3427096224204838
Energy: 1.3654099673070816
Energy: 1.365265686133778
Energy: 1.3643049273811718
Energy: 1.372064255210793
Energy: 1.3694130722620694
Energy: 1.3930092356386607
Energy: 1.3964132045337394
Energy: 1.387807821842693
Energy: 1.3853718819144227
Energy: 1.364018716743348
Energy: 1.3763262532974405
Energy: 1.3892618380244885
Energy: 1.4503021241923024
Energy: 1.4137256712216395
Energy: 1.3782638359028532
Energy: 1.4616030139814689
Energy: 1.4637651521656065
Energy: 1.3832037982526455
Energy: 1.3230071782488122
Energy: 1.3923414493965296
Energy: 1.3908617340433491
Energy: 1.3576531688592297
Energy: 1.6193688537890816
Energy: 1.3632589395666037
Energy: 1.321662427145169
Energy: 1.3186941380362271
Energy: 1.3873678318569038
Energy: 1.5816920279054614
Energy: 1.436704953441896
Energy: 1.2773622116599013
Energy: 1.3632255214733773
Energy: 1.4582529103631214
Energy: 1.720027538909111
Energy: 1.3729361161772344
Energy: 1.6411053068708887
Energy: 1.2742330348685809
Energy: 1.2739181614293782
Energy: 1.3723737272147079
Energy: 1.2763975334716389
Energy: 1.4393614617477042
Energy: 1.6338419093454588
Energy: 1.416621861854212
Energy: 1.4659478411261457
Energy: 1.4615393957238008
Energy: 1.3631857193857564
Energy: 1.2768215116645674
Energy: 1.4205160566183574
Energy: 1.6472539534444954
Energy: 1.3821957429419267
Energy: 1.4386291764698476
Energy: 1.4662588389923918
Energy: 1.3637547500768559
Energy: 1.4059876373035203
Energy: 1.3490331613314956
Energy: 1.4678941612556038
Energy: 1.379658737440141
Energy: 1.3661287552341022
Energy: 1.3674540532881954
Energy: 1.4526971286876678
Energy: 1.3511541987171447
Energy: 1.3905815222163886
Energy: 1.4350392115726813
Energy: 1.315946910489447
Energy: 1.3869350480862734
Energy: 1.4616470066941152
Energy: 1.4644271445127472
Energy: 1.4039443029770262
Energy: 1.3367374813325268
Energy: 1.4178011477242032
Energy: 1.4469002937692121
Energy: 1.4454514349193752
Energy: 1.461814611136616
Energy: 1.5723275812252842
Energy: 1.277299753805497
Energy: 1.3672868627210821
Energy: 1.4835417615613222
Energy: 1.4639930407079047
Energy: 1.4175329024936847
Energy: 1.4534966074267963
Energy: 1.3672434058344891
Energy: 1.3904659962027677
Energy: 1.3096988708201271
Energy: 1.4291721750418227
Energy: 1.6638311760699163
Energy: 1.2781537777280014
Energy: 1.2721192653644764
Energy: 1.3753279361472697
Energy: 1.3235116703136887
Energy: 1.4159900180059368
Energy: 1.3721591725768538
Energy: 1.5821122670828418
Energy: 1.2775693565239439
Energy: 1.3213294292127764
Energy: 1.3737375945730825

minimum gb energy = 1.2720765640974507 eV
minimum distance =  2.28220930797281 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6526694734588192
Energy: 1.637238264924321
Energy: 1.6285978178710365
Energy: 1.7234907517754767
Energy: 1.4627167022312546
Energy: 1.5408754455574685
Energy: 1.6302184850413912
Energy: 1.5967737463955622
Energy: 1.414897283686726
Energy: 1.533209407210838
Energy: 1.5426267909878226
Energy: 1.6312984058337543
Energy: 1.6281186840516237
Energy: 1.7253447628692318
Energy: 1.5997632861601283
Energy: 1.42064749355351
Energy: 1.525665488475208
Energy: 1.6092020277176668
Energy: 1.650334819034685
Energy: 1.6043800042434382
Energy: 1.5757488076397397
Energy: 1.5946982287880695
Energy: 1.6995421497947405
Energy: 1.4560692144249199
Energy: 1.6521532543460888
Energy: 1.469715573443979
Energy: 1.4305953682815002
Energy: 1.6817740772483027
Energy: 1.3434288303406683
Energy: 1.3629618942912087
Energy: 1.3165370166342727
Energy: 1.3410707903641876
Energy: 1.4747573508779712
Energy: 1.345970394064181
Energy: 1.373505333966103
Energy: 1.3166883330791657
Energy: 1.3547250176019654
Energy: 1.36912771029562
Energy: 1.5757297699483026
Energy: 1.5148537968690847
Energy: 1.3228667747518918
Energy: 1.5739106638416638
Energy: 1.6705678697931852
Energy: 1.5428037728115098
Energy: 1.4303514903800671
Energy: 1.3525853960469634
Energy: 1.3686213735115436
Energy: 1.3049292656829263
Energy: 1.382788100706268
Energy: 1.468161607883853
Energy: 1.3680422311246272
Energy: 1.5253405603723842
Energy: 1.4792903751412803
Energy: 1.5203726638459567
Energy: 1.5106717034541535
Energy: 1.3730590368036133
Energy: 1.4191941683238163
Energy: 1.3532366859608407
Energy: 1.3730780178267228
Energy: 1.492698581692547
Energy: 1.5855830422937833
Energy: 1.44379421171687
Energy: 1.5689460990648316
Energy: 1.5965750997936974
Energy: 1.6418462097726298
Energy: 1.4578321997328747
Energy: 1.535427634986326
Energy: 1.352203721001266
Energy: 1.5413336632433545
Energy: 1.6402170601642267
Energy: 1.3525918593896515
Energy: 1.4762271674412837
Energy: 1.4610590401256454
Energy: 1.6590306453012371
Energy: 1.604258658357529
Energy: 1.4569107826848615
Energy: 1.68817814844876
Energy: 1.4323705477010633
Energy: 1.5201284052198716
Energy: 1.5220991793405263
Energy: 1.8108082999867736
Energy: 1.6141949500202875
Energy: 1.6072125475359138
Energy: 1.6937757030941734
Energy: 1.6133428623352453
Energy: 1.516662645972235
Energy: 1.6799329870414847
Energy: 1.541219888394618
Energy: 1.506661278988398
Energy: 1.5326097532048941
Energy: 1.6305783174359703
Energy: 1.5260105778722772
Energy: 1.6703584093078938
Energy: 1.5750427915973246
Energy: 1.571751092868983
Energy: 1.4683533811215579
Energy: 1.449913665447291
Energy: 1.688135047561217
Energy: 1.4334302987070167
Energy: 1.3920396237443642
Energy: 1.4996328734409956
Energy: 1.6041086453331486
Energy: 1.659192617749715
Energy: 1.656270901061202
Energy: 1.505125393483444
Energy: 1.6246684096516362
Energy: 1.536879723528126
Energy: 1.4568202475608567
Energy: 1.632881157517297
Energy: 1.4225368802805145
Energy: 1.4268541904416976
Energy: 1.6721559596419755
Energy: 1.552919308576017
Energy: 1.4554546113005806
Energy: 1.487191155520619
Energy: 1.3996246140243873
Energy: 1.3913111061163734
Energy: 1.5841551259602307
Energy: 1.507768617371077
Energy: 1.3103187630663873
Energy: 1.3528949050064922
Energy: 1.5263596333382667
Energy: 1.5186070450743452
Energy: 1.5252978974164837
Energy: 1.582685674382382
Energy: 1.5916390243300518
Energy: 1.5238511497415252
Energy: 1.2953919023778202
Energy: 1.480083908183913
Energy: 1.4006967611999899
Energy: 1.3532347459441043
Energy: 1.3071550616629952
Energy: 1.457031609807163
Energy: 1.4409959724404868
Energy: 1.3764921453823373
Energy: 1.4629545829057522
Energy: 1.3986626289557162
Energy: 1.3683623836414163
Energy: 1.3168637722574317
Energy: 1.3958001365108867
Energy: 1.419543186023468
Energy: 1.368347377533097
Energy: 1.6198233786880725
Energy: 1.56714406362552
Energy: 1.6033786486472479
Energy: 1.698429203845347
Energy: 1.7586888255562372
Energy: 1.5808114903150665
Energy: 1.6129200263494312
Energy: 1.4968678831371018
Energy: 1.4490973980290107
Energy: 1.512073626308837
Energy: 1.5403227937814366
Energy: 1.5406028564467846
Energy: 1.6098787927688307
Energy: 1.6127515901761906
Energy: 1.596850395117127
Energy: 1.7868150825145184
Energy: 1.5144682158392568
Energy: 1.4296741348209463
Energy: 1.7404292635154694
Energy: 1.44170220772225
Energy: 1.467119290297375
Energy: 1.4642628837778362
Energy: 1.8104504578470724
Energy: 1.6539749780857906
Energy: 1.6577194917899276
Energy: 1.6876079744981336
Energy: 1.5265348906477465
Energy: 1.671070123391998
Energy: 1.6244999453888271
Energy: 1.7386737869373148
Energy: 1.5260121430405587
Energy: 1.610551160417652
Energy: 1.695822005655229

minimum gb energy = 1.2953919023778202 eV
minimum distance =  2.19657543763008 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.626560933085718
Energy: 1.8777239242072075
Energy: 1.7124036476204678
Energy: 1.6985787647476829
Energy: 1.6553453472108108
Energy: 1.6776848832773545
Energy: 1.7957410435255536
Energy: 1.7061055164882493
Energy: 1.8279430365209948
Energy: 1.7297332924729132
Energy: 1.7182247057203828
Energy: 1.7223503182659745
Energy: 1.7213414009480053
Energy: 1.819044130800391
Energy: 1.7528477940163611
Energy: 1.6264144090725945
Energy: 1.6123025678398077
Energy: 1.689817582950203
Energy: 1.7130712337437441
Energy: 1.6239181122151274
Energy: 1.7547206463739697
Energy: 1.6183549613569224
Energy: 1.7445599642559235
Energy: 1.6054966445621797
Energy: 1.609845416828989
Energy: 1.6237986560707853
Energy: 1.6081695694271558
Energy: 1.755380553616414
Energy: 1.5853969798308014
Energy: 1.6536288724507198
Energy: 1.6205592995540663
Energy: 1.614801357291935
Energy: 1.5887872020863762
Energy: 1.5945564543761537
Energy: 1.5824066403198058
Energy: 1.4518295512534394
Energy: 1.5616817779970513
Energy: 1.6358890819768805
Energy: 1.5546921381748702
Energy: 1.5797986684943548
Energy: 1.5105344192892487
Energy: 1.6125847906510702
Energy: 1.6861127708058794
Energy: 1.569057847154843
Energy: 1.5843078819085492
Energy: 1.5600070443400078
Energy: 1.620861599220455
Energy: 1.6438185238661744
Energy: 1.6467920984843418
Energy: 1.5778646905824467
Energy: 1.4574686048502672
Energy: 1.5577089101814765
Energy: 1.6656879691714477
Energy: 1.6217393965620388
Energy: 1.6172295821303664
Energy: 1.5125847330624358
Energy: 1.6056273537632928
Energy: 1.716360569681737
Energy: 1.6068651263368137
Energy: 1.598316302683591
Energy: 1.5315919576854802
Energy: 1.6062847818996702
Energy: 1.7364065660083117
Energy: 1.6169229988557337
Energy: 1.5984595595997346
Energy: 1.6669576790209784
Energy: 1.5390799441539202
Energy: 1.5843882958793987
Energy: 1.6396490094666922
Energy: 1.5048992537534693
Energy: 1.633534670500802
Energy: 1.4944518742038144
Energy: 1.6728259168757966
Energy: 1.4258496227187658
Energy: 1.510701635290224
Energy: 1.5380187988256293
Energy: 1.5714831528495696
Energy: 1.621774424764151
Energy: 1.5303804337345404
Energy: 1.6516355717451803
Energy: 1.5851049010581977
Energy: 1.5781406898276982
Energy: 1.587748687614032
Energy: 1.6668879392193492
Energy: 1.7298086831379058
Energy: 1.4149417067930672
Energy: 1.5049437747909147
Energy: 1.572465760966985
Energy: 1.60973938518057
Energy: 1.5622247001628908
Energy: 1.5013458454248716
Energy: 1.6594262707770089
Energy: 1.5744153222829216
Energy: 1.6857356959539653
Energy: 1.567070572749207
Energy: 1.5189016884787272
Energy: 1.7501336133416467
Energy: 1.5930326261764558
Energy: 1.489523308017975
Energy: 1.6393640391141482
Energy: 1.590627364029557
Energy: 1.474373889020301
Energy: 1.5863633357904392
Energy: 1.6525136113218737
Energy: 1.5673177624460488
Energy: 1.5716731400600774
Energy: 1.5477575310579674
Energy: 1.6049911648583357
Energy: 1.6061605383795932
Energy: 1.603583348890164
Energy: 1.6522161724820668
Energy: 1.592982893183933
Energy: 1.625888074707276
Energy: 1.6705442513477595
Energy: 1.5422047547216013
Energy: 1.6278262347679526
Energy: 1.6008621458298613
Energy: 1.594179238843138
Energy: 1.575451016610736
Energy: 1.5193827770111457
Energy: 1.568199145825949
Energy: 1.5921965277388592
Energy: 1.6042961018570239
Energy: 1.5916934404625729
Energy: 1.6175978998888165
Energy: 1.6092252402760423
Energy: 1.7845863530416421
Energy: 1.7405439127600353
Energy: 1.632711476648764
Energy: 1.699140198235267
Energy: 1.7004966981290204
Energy: 1.782648879183905
Energy: 1.6918026891188742
Energy: 1.6559981628808538
Energy: 1.8280731767933873
Energy: 1.6103455984491812
Energy: 1.6995937671151025
Energy: 1.586861717382375
Energy: 1.6806171956664224
Energy: 1.8469692789415464
Energy: 1.7463990790358035
Energy: 1.726217751626559
Energy: 1.5914342570658386
Energy: 1.7413670135856407
Energy: 1.6048468058543761
Energy: 1.617616788726753
Energy: 1.8194032653330983
Energy: 1.6979135066461954
Energy: 1.8123137093962962
Energy: 1.6309769335019038
Energy: 1.78526323303471
Energy: 1.734219238440431
Energy: 1.6128466634970893
Energy: 1.8133585978497695
Energy: 1.6323794562809801
Energy: 1.871384281943878
Energy: 1.714283788877334
Energy: 1.7165169714724955
Energy: 1.6553066361666449
Energy: 1.6818076046212245
Energy: 1.787146912496785
Energy: 1.818542272488092
Energy: 1.8768745428178055
Energy: 1.734579239657794
Energy: 1.693329042359481
Energy: 1.681541034406147
Energy: 1.709146219011541
Energy: 1.8247139580677671
Energy: 1.5873559812780547
Energy: 1.6478783003026993
Energy: 1.614193160947953
Energy: 1.6932136528307076
Energy: 1.6259756951769133
Energy: 1.6353646292304056
Energy: 1.6932193470036883
Energy: 1.6193311695049577
Energy: 1.7522261325210577
Energy: 1.6093574416682281
Energy: 1.6156808247421999
Energy: 1.6378304068965046
Energy: 1.608163076165436
Energy: 1.8513028193635939
Energy: 1.6308890870851758
Energy: 1.6747177695581352
Energy: 1.6092291135952514
Energy: 1.6127547773039594
Energy: 1.5941581736378325
Energy: 1.5439436468712877
Energy: 1.6079012481451769
Energy: 1.451023333643583
Energy: 1.629029803328214
Energy: 1.6247682962070622
Energy: 1.5995516236830813
Energy: 1.5165716088038323
Energy: 1.6076322855782779
Energy: 1.620849691383782
Energy: 1.7042914791011614
Energy: 1.5545839635184688
Energy: 1.5782636270867183
Energy: 1.5813563541331421
Energy: 1.5684624397589824
Energy: 1.649224533052226
Energy: 1.6808852425033436
Energy: 1.592601041255283
Energy: 1.4707259104957457
Energy: 1.5038953328114049
Energy: 1.678397440295172
Energy: 1.699603025370119
Energy: 1.5683086056110156
Energy: 1.4820428098470706
Energy: 1.6093313195738483
Energy: 1.714214612037027
Energy: 1.6164482354255216
Energy: 1.604185486155073
Energy: 1.5344041461677267
Energy: 1.6500060336459945
Energy: 1.6292285532218234
Energy: 1.6801073708782726
Energy: 1.5966751981895102
Energy: 1.675671473428117
Energy: 1.4703986176181023
Energy: 1.6076573222775268
Energy: 1.5688846720831755
Energy: 1.505684113021583
Energy: 1.6268906374440895
Energy: 1.496932172851975
Energy: 1.6692149216983494
Energy: 1.438291999792202
Energy: 1.5573144380782193
Energy: 1.5277665959632936
Energy: 1.5607654022338042
Energy: 1.666341113448293
Energy: 1.6758328516501555
Energy: 1.6154536475039294
Energy: 1.584699094365997
Energy: 1.557336755208207
Energy: 1.5761771265437567
Energy: 1.6643586463562605
Energy: 1.6804708089363922
Energy: 1.463281144036762
Energy: 1.6058347021598198
Energy: 1.5826707969508544
Energy: 1.638627377174417
Energy: 1.5741505538067142
Energy: 1.4898956079218837
Energy: 1.616657019641443
Energy: 1.550384914915907
Energy: 1.6229789151897238
Energy: 1.5735286603862946
Energy: 1.5889311045027632
Energy: 1.713590760662112
Energy: 1.5932400574443952
Energy: 1.4885554416105873
Energy: 1.6226126610498806
Energy: 1.593131574257572
Energy: 1.4637135451321692
Energy: 1.5133313188729967
Energy: 1.5361895452914478
Energy: 1.558417692045667
Energy: 1.6200334929975153
Energy: 1.5455378143858662
Energy: 1.5257658780752101
Energy: 1.5694095187457775
Energy: 1.5724935276309921
Energy: 1.6139891224538498
Energy: 1.5727012588627733
Energy: 1.6242196890951976
Energy: 1.6669837959265774
Energy: 1.5401313210340155
Energy: 1.6473997902363917
Energy: 1.6257032114622296
Energy: 1.5199188465515745
Energy: 1.751174775936383
Energy: 1.5350317614152131
Energy: 1.5787414797878865
Energy: 1.6107523724320798
Energy: 1.604498503286356
Energy: 1.6670919399988167
Energy: 1.5885904397695159
Energy: 1.626141157463587
Energy: 1.6936363546753592
Energy: 1.6861522371771445
Energy: 1.6641500835191603
Energy: 1.6894820215990378
Energy: 1.7176479465747563
Energy: 1.7742487654373298
Energy: 1.722717568124736
Energy: 1.6290250456509598
Energy: 1.8216591254663406
Energy: 1.6141801411557275
Energy: 1.7248817217264234
Energy: 1.5894526618925735
Energy: 1.6813839205143692
Energy: 1.8464275673386685
Energy: 1.7256393131983045
Energy: 1.7206207256064905
Energy: 1.592720085759863
Energy: 1.7809061730347608
Energy: 1.6832029635612584
Energy: 1.5835803428163409
Energy: 1.8160185596247242
Energy: 1.7145218738351742
Energy: 1.7546551882509316
Energy: 1.6284125636890443
Energy: 1.7691108955541333
Energy: 1.7068643417080485
Energy: 1.6070725464278122
Energy: 1.7946840473725139
Energy: 1.6382800500450048
Energy: 1.807558189965055
Energy: 1.6965633494118837
Energy: 1.7166542759702914
Energy: 1.656432404838355
Energy: 1.6665669212788807
Energy: 1.8203545863812838

minimum gb energy = 1.4149417067930672 eV
minimum distance =  2.14899412697757 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.5122910739891027
Energy: 1.3866053572512027
Energy: 1.4879952792817606
Energy: 1.4286904448453375
Energy: 1.435620806250327
Energy: 1.4369282132920769
Energy: 1.3859368353665193
Energy: 1.3745957976996899
Energy: 1.6577105640465954
Energy: 1.4015319543243596
Energy: 1.415535103085715
Energy: 1.4161350565790984
Energy: 1.4089411331963309
Energy: 1.693253297294096
Energy: 1.4100606745736886
Energy: 1.6580186856880554
Energy: 1.4011751409304105
Energy: 1.412749467801579
Energy: 1.4150168183755683
Energy: 1.4058490044595613
Energy: 1.3855508391487177
Energy: 1.4137084892829332
Energy: 1.6499272182751488
Energy: 1.4008968768829295
Energy: 1.4114580472939255
Energy: 1.4084369187086125
Energy: 1.4051763565008046
Energy: 1.3850552997517338
Energy: 1.3747071566515263
Energy: 1.6547546680954335
Energy: 1.3769598921997959
Energy: 1.7864211276910547
Energy: 1.364211707769108
Energy: 1.3767892749635142
Energy: 1.6943064669298287
Energy: 1.5129470726273666
Energy: 1.6480577675179837
Energy: 1.4888364612513305
Energy: 1.3863158424539261
Energy: 1.3861400542017943
Energy: 1.3584037129196995
Energy: 1.3862245543644984
Energy: 1.410232500352153
Energy: 1.660675228849903
Energy: 1.4012168341200948
Energy: 1.409962030478921
Energy: 1.4097424433227583
Energy: 1.406048121015354
Energy: 1.6921735262699644
Energy: 1.4105684689267635
Energy: 1.661857874231847
Energy: 1.401187767851105
Energy: 1.4153023229897164
Energy: 1.410024421450801
Energy: 1.4010240467793595
Energy: 1.6917667382937924
Energy: 1.5140237470202986
Energy: 1.6483629419652008
Energy: 1.3957724959501432
Energy: 1.420076439682614
Energy: 1.4211542193819802
Energy: 1.4081184155318687
Energy: 1.3870543659574035
Energy: 1.3790175154765139
Energy: 1.6531583572715862
Energy: 1.3774662320714415
Energy: 1.7859783288470772
Energy: 1.7861040167916666
Energy: 1.3816590138506626
Energy: 1.703130947676288
Energy: 1.5074864046739733
Energy: 1.6483287228828196
Energy: 1.4009591533251462
Energy: 1.4189994468687865
Energy: 1.4199802348496287
Energy: 1.3936193966994377
Energy: 1.388276153867516
Energy: 1.4103023136037198
Energy: 1.6602220606203173
Energy: 1.4012374490426611
Energy: 1.4147068380668186
Energy: 1.4164661024190301
Energy: 1.406273941756733
Energy: 1.694767012059343
Energy: 1.4103526266730526
Energy: 1.6597393099225024
Energy: 1.4029087326001468
Energy: 1.4099182756306197
Energy: 1.414689762992092
Energy: 1.401190749731093
Energy: 1.6839914909509592
Energy: 1.5127535229958413
Energy: 1.6460578332124343
Energy: 1.4882164650785816
Energy: 1.386348165632022
Energy: 1.3864723754223915
Energy: 1.395600198283993
Energy: 1.3890396897208623
Energy: 1.3744223386115453
Energy: 1.6535392128949857
Energy: 1.3752865472882656
Energy: 1.3630707752228166
Energy: 1.412125886088385
Energy: 1.4090332865952842
Energy: 1.6930779505660902
Energy: 1.4128831225382839
Energy: 1.6519913155245316
Energy: 1.4011702368443686
Energy: 1.41164080809342
Energy: 1.4139138751694422
Energy: 1.4056912377968824
Energy: 1.3854170248201478
Energy: 1.4120368285090144
Energy: 1.6555421372795458
Energy: 1.4010820060241629
Energy: 1.4120249044638316
Energy: 1.4141970304810283
Energy: 1.4051189039870668
Energy: 1.385350611463669
Energy: 1.3745121451610336
Energy: 1.6598600737467568
Energy: 1.4013386100116498
Energy: 1.4164317821009988
Energy: 1.412979963545334
Energy: 1.4091946253651433
Energy: 1.6950130064009068
Energy: 1.5121501118099947
Energy: 1.656288772809392
Energy: 1.4881539832734405
Energy: 1.3870144554108004
Energy: 1.4194189513952336
Energy: 1.433005309369024
Energy: 1.3859203848864463
Energy: 1.4102514596779396
Energy: 1.659852128739267
Energy: 1.4013694694090992
Energy: 1.410671808136619
Energy: 1.41565688483281
Energy: 1.4010212343583988
Energy: 1.6923678836686682

minimum gb energy = 1.3584037129196995 eV
minimum distance =  2.19707828857286 Angstroms
sigma value = 23