Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
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=3.520024351775646
cohesive_energy=4.422204084913661
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=[2.0873157187751997e-19, 2.93528372408604e-19, 3.573654982137e-19, 4.08976414124742e-19, 4.52147063527872e-19, 4.88990717403336e-19, 5.2083397800408595e-19, 5.48580472951698e-19, 5.72879083782942e-19, 5.942184743711879e-19, 6.1297675840206e-19, 6.294487363762139e-19, 6.43881143495286e-19, 6.5647104748525795e-19, 6.67388279069334e-19, 6.76772227614672e-19, 6.8474626072209e-19, 6.914145198727981e-19, 6.96868329134934e-19, 7.011893995168319e-19, 7.044498289670219e-19, 7.067105001975959e-19, 7.08030693744012e-19, 7.084600770819239e-19, 7.07998650211332e-19, 7.065086259417119e-19, 7.038105604900559e-19, 6.99689762187408e-19, 6.93888280595694e-19, 6.860984978011859e-19, 6.759551175313319e-19, 6.63006325975344e-19, 6.4671058743093e-19, 6.26396589888444e-19, 6.012456210879119e-19, 5.702290836303059e-19, 5.320652362084259e-19, 4.85126267362128e-19, 4.2733575617374794e-19, 3.56006852428068e-19, 2.6330651456146195e-19, 1.2595239238163218e-19, -6.84135831424536e-20, -3.2061797493627596e-19, -6.4372252800852e-19, -1.0628935920554038e-18, -1.61353606633506e-18, -2.34193362945048e-18, -3.34521663766128e-18, -4.81707222425172e-18, -7.10291364974586e-18, -1.0838949233738758e-17, -1.7359583829389998e-17, -2.9875787694198e-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: -0.0272614018 eV

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

Energy: 0.022032117256574817
Energy: 0.022815723206366142
Energy: 1.3708420595672701
Energy: 1.3687026526353419
Energy: 1.2328714620976429
Energy: 0.45295969342164605
Energy: 0.022927830163080386
Energy: 0.022944442191474745
Energy: 0.9757214968020196
Energy: 0.37953977603832506
Energy: 0.562437523474879
Energy: 0.567763873693629
Energy: 0.023456230082196675
Energy: 0.13913665630951247
Energy: 0.02251746148760604
Energy: 0.9794156141638861
Energy: 0.35493087005832863
Energy: 0.5602366646548415
Energy: 0.5709706260520947
Energy: 0.13661368686731892
Energy: 0.13878739063626724
Energy: 0.025552771762722973
Energy: 0.9610429094538269
Energy: 0.5624433623200298
Energy: 1.3709580779040724
Energy: 1.2365490062760118
Energy: 0.13714941005083905
Energy: 0.023034026750656363
Energy: 0.1383794123968832
Energy: 1.2353367469676795
Energy: 0.37930579231760114
Energy: 0.5632606459882838
Energy: 0.9572884841332806
Energy: 0.022944785634780484
Energy: 0.1391920108705874
Energy: 0.022442017526369228
Energy: 0.9813746243112503
Energy: 0.5702286334836293
Energy: 0.5599847629638096
Energy: 1.0905891965981247
Energy: 0.13642418475034163
Energy: 0.13859507673897026

minimum gb energy = 0.022032117256574817 eV
minimum distance =  2.46608549525409 Angstroms
sigma value = 5


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

Energy: 1.5737914945952973
Energy: 1.468834183442465
Energy: 1.593381862261859
Energy: 1.5518019646919006
Energy: 1.672902796499298
Energy: 1.5064507692655704
Energy: 1.5273560488188387
Energy: 1.4379621512607184
Energy: 1.5369264520852834
Energy: 1.4122433775957577
Energy: 1.680331878138479
Energy: 1.5014832862600518
Energy: 1.440767467886814
Energy: 1.5786045234962978
Energy: 1.728998596509963
Energy: 1.5705092611440372
Energy: 1.7070505844223611
Energy: 1.6197295567338095
Energy: 1.6814598455552332
Energy: 1.5819455033121732
Energy: 1.638421661885121
Energy: 1.4310230781916096
Energy: 1.6405780470799571
Energy: 1.433323767107838
Energy: 1.6318790734050979
Energy: 1.585335656936961
Energy: 1.5444764939363342
Energy: 1.6636519630736504
Energy: 1.6504028916633235
Energy: 1.5501212856249158
Energy: 1.5157600634005697
Energy: 1.4587028031983307
Energy: 1.522909388395159
Energy: 1.6591457914156864
Energy: 1.6136349196656612
Energy: 1.4902941168455994
Energy: 1.5324902542689005
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Energy: 1.4853583648822304
Energy: 1.4739055813278994
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Energy: 1.6089895386805515
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Energy: 1.6965325234562842
Energy: 1.5380603475336976
Energy: 1.6107386929709797
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Energy: 1.556156224757203
Energy: 1.639700178311193
Energy: 1.4477962643725166
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Energy: 1.5341791863150587
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Energy: 1.5613797832962957
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Energy: 1.6534594603210642
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Energy: 1.5890042519883667
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Energy: 1.4137416568138474
Energy: 1.7348264827208741
Energy: 1.5340023804404566
Energy: 1.6462192039151675
Energy: 1.6286364079441062
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Energy: 1.601057404582412
Energy: 1.5322020117712367
Energy: 1.5076532051084892
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Energy: 1.6698494322210677
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Energy: 1.608444898542608
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Energy: 1.5509051669936853
Energy: 1.5440599770979506
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Energy: 1.4672374601912297
Energy: 1.6545947156627148
Energy: 1.480752243041235
Energy: 1.5619226667014277
Energy: 1.5125460479204875
Energy: 1.5457485097458736
Energy: 1.7220508168111828
Energy: 1.5628973101383292
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Energy: 1.6100374381247136
Energy: 1.5727867112135834
Energy: 1.6391749352401734
Energy: 1.5615071188940903
Energy: 1.4607905982786917
Energy: 1.5053595662603756
Energy: 1.4929936084304791
Energy: 1.4824150785722134
Energy: 1.4834273315379822
Energy: 1.5200038969515572
Energy: 1.5540884497937062
Energy: 1.591470061398697
Energy: 1.7293489986503634
Energy: 1.5654221532169865
Energy: 1.5504679498831235
Energy: 1.583413256675408
Energy: 1.568377261890929
Energy: 1.571722523649572
Energy: 1.4532540930456952
Energy: 1.6479817453179095
Energy: 1.5481648385246276
Energy: 1.4925057398991424
Energy: 1.5254291665909192
Energy: 1.5224589369803172
Energy: 1.7187925402836715
Energy: 1.6774002721483021
Energy: 1.5705833926991997
Energy: 1.5478511018782888
Energy: 1.7265161415102201
Energy: 1.6172049338096537
Energy: 1.7043600736009945
Energy: 1.6153824431975765
Energy: 1.4517700543154213
Energy: 1.6519424055745615
Energy: 1.452542427113406
Energy: 1.6011341633410874
Energy: 1.6377578201541798
Energy: 1.4596252041700852
Energy: 1.6134467528612466
Energy: 1.5417501840133057
Energy: 1.511122626114547
Energy: 1.6126867325994236
Energy: 1.537147405449284
Energy: 1.6233563412063685
Energy: 1.5246130920625534
Energy: 1.4957607666237318

minimum gb energy = 1.4030371680865559 eV
minimum distance =  2.17389865494786 Angstroms
sigma value = 401


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

Energy: 1.6282447625497185
Energy: 1.484662290016472
Energy: 1.490732421468903
Energy: 1.5237481015327075
Energy: 1.928511791306205
Energy: 1.4865286807624492
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Energy: 1.4400924925453364
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Energy: 1.6313828113094389
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Energy: 1.447641901498543
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Energy: 1.4220893323489583
Energy: 1.5334913492836282
Energy: 1.6163374559057202
Energy: 1.4322320304625609
Energy: 1.4773108880368906
Energy: 1.4977945702316158
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Energy: 1.4566822637507466
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Energy: 1.533749929840963
Energy: 1.6092512010014601
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Energy: 1.525589531815861
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Energy: 1.508747858365471
Energy: 1.5014970800565284
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Energy: 1.439080137119495
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Energy: 1.4406641735833627
Energy: 1.4384897384095963
Energy: 1.5810033167389002
Energy: 1.5357365084070218
Energy: 1.5237973887364458
Energy: 1.426717311927389
Energy: 1.3988446266097183
Energy: 1.4251621150888252
Energy: 1.4766400834964701
Energy: 1.5523313752654342
Energy: 1.7124675369904472
Energy: 1.530407814388631
Energy: 1.5763299689528736
Energy: 1.5180929983316975
Energy: 1.5154973326309995
Energy: 1.5860622741340729
Energy: 1.5848814375096598
Energy: 1.501212709858842
Energy: 1.5152707534207637
Energy: 1.619504943086659
Energy: 1.4910544206878709
Energy: 1.4623065921366876
Energy: 1.5628670411303283
Energy: 1.6235370488097973
Energy: 1.4662386838700432
Energy: 1.5278800691160521
Energy: 1.455867036337847
Energy: 1.6207321576563025
Energy: 1.6162117907114173
Energy: 1.462207797900972
Energy: 1.4909255487306339
Energy: 1.47337263775188
Energy: 1.4670944332011329
Energy: 1.4416921182207127
Energy: 1.4664967573658534
Energy: 1.5379396178926388
Energy: 1.4374346739194506
Energy: 1.570418914761917
Energy: 1.4712815250035112
Energy: 1.4695431628273716
Energy: 1.4589930392894574
Energy: 1.5341892936782984
Energy: 1.603066683778168
Energy: 1.4389844847672413
Energy: 1.5746493083083561
Energy: 1.4652167663170304
Energy: 1.6435953021050524
Energy: 1.4619043135110905
Energy: 1.4692925396017844
Energy: 1.582177532568097
Energy: 1.5269411925449357
Energy: 1.5964783315392082
Energy: 1.7239712532195168
Energy: 1.5572784120263967
Energy: 1.5499466133049995
Energy: 1.477971243644086
Energy: 1.5746071497972696
Energy: 1.61883752760182
Energy: 1.5992428734837234
Energy: 1.5359629383279778
Energy: 1.540119810692814
Energy: 1.492457263608068
Energy: 1.492304291877847
Energy: 1.4259539382839614
Energy: 1.4999040754262423
Energy: 1.5778781750923943
Energy: 1.6205047777662482
Energy: 1.4952644717226158
Energy: 1.602274378061577
Energy: 1.521361019029357
Energy: 1.4388030467689075
Energy: 1.7141807087016558
Energy: 1.5441054332197555
Energy: 1.4978231844322438
Energy: 1.560192788280186
Energy: 1.4273190617451954
Energy: 1.4181522667110564
Energy: 1.4290979567393134
Energy: 1.4766685190801248
Energy: 1.613204050115642
Energy: 1.5281995148484988
Energy: 1.4823681030433102
Energy: 1.542365365956226
Energy: 1.4434545773700873
Energy: 1.5070741936056358
Energy: 1.5898267075145076
Energy: 1.6344154550190801
Energy: 1.5029652549371342
Energy: 1.5846751748703418
Energy: 1.6061656671509061
Energy: 1.5405169337687066
Energy: 1.5591829419998136
Energy: 1.564135112855189
Energy: 1.636177412545239
Energy: 1.4643861688458746
Energy: 1.522661771556929
Energy: 1.4594876068075524
Energy: 1.6205698523952503
Energy: 1.696850414152152
Energy: 1.568928536076233
Energy: 1.475646203092951
Energy: 1.4656389474690714
Energy: 1.4094015422126018
Energy: 1.455465140966603
Energy: 1.4708269069229125
Energy: 1.4581985038870844
Energy: 1.501506631222791
Energy: 1.5028985859696073

minimum gb energy = 1.398427063666404 eV
minimum distance =  2.18283947380474 Angstroms
sigma value = 311


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

Energy: 1.541127684366529
Energy: 1.5199643331857269
Energy: 1.563002978087832
Energy: 1.5187223856518834
Energy: 1.5979762823709074
Energy: 1.569756221953983
Energy: 1.5854908697352657
Energy: 1.494591840866067
Energy: 1.5806686365518439
Energy: 1.4807472258613694
Energy: 1.5545162688348662
Energy: 1.578689475027078
Energy: 1.498128853808712
Energy: 1.6808800775471537
Energy: 1.4489899533505726
Energy: 1.461394954112137
Energy: 1.5079099666471332
Energy: 1.5791739397745779
Energy: 1.494792441418261
Energy: 1.4998675723120212
Energy: 1.628922513355239
Energy: 1.4822544141163052
Energy: 1.5464994364465532
Energy: 1.471109395108962
Energy: 1.549694929588632
Energy: 1.4867027945670985
Energy: 1.5168240093796046
Energy: 1.5516578451112018
Energy: 1.500997600349779
Energy: 1.5337951933199108
Energy: 1.5338614959834638
Energy: 1.6811723000244434
Energy: 1.4947184415787997
Energy: 1.4846969064168853
Energy: 1.5177559163488314
Energy: 1.467400742923014
Energy: 1.5284593078080237
Energy: 1.4789419084548248
Energy: 1.5587696188466487
Energy: 1.492774499458746
Energy: 1.4629551081517502
Energy: 1.4723859732437743
Energy: 1.5458548109553667
Energy: 1.5421039093059132
Energy: 1.520816839098223
Energy: 1.5243710824382097
Energy: 1.5490191718747084
Energy: 1.5826994952358127
Energy: 1.5663495607268485
Energy: 1.5464410925107355
Energy: 1.6297746762869822
Energy: 1.5266874094168228
Energy: 1.5819071356813579
Energy: 1.5819830869692588
Energy: 1.5868779321139206
Energy: 1.5690873676200172
Energy: 1.5578677360521276
Energy: 1.6535326530414405
Energy: 1.6074702258467843
Energy: 1.5032444303017194
Energy: 1.5743691749573705
Energy: 1.4792924302683872
Energy: 1.4804107977604415
Energy: 1.5267526357045904
Energy: 1.6330213262056077
Energy: 1.4834977149878539
Energy: 1.4416978655419355
Energy: 1.5099727998954968
Energy: 1.468346909144179
Energy: 1.5143750371940299
Energy: 1.4926561496395325
Energy: 1.5869171745774007
Energy: 1.5045974916124871
Energy: 1.6998616458334561
Energy: 1.5214493958314084
Energy: 1.686168407285758
Energy: 1.4593591960829668
Energy: 1.4929247473635652
Energy: 1.4606607780469059
Energy: 1.4649876211729285
Energy: 1.5008536554161696
Energy: 1.518358696711955
Energy: 1.5310009858160527
Energy: 1.5218454228022984
Energy: 1.5624515275968818
Energy: 1.4791087839332895
Energy: 1.5464223823570524
Energy: 1.5928900208978882
Energy: 1.5344492962419785
Energy: 1.5461116187052546
Energy: 1.6048239317557613
Energy: 1.5538968618932676
Energy: 1.5838863499259428
Energy: 1.5497923121081725
Energy: 1.5396040822812669
Energy: 1.6303293903541243
Energy: 1.5199216178179806
Energy: 1.627541016221508
Energy: 1.4820232939228843
Energy: 1.5555482947968076
Energy: 1.5863531386090473
Energy: 1.6543628789161624
Energy: 1.5528933131257672
Energy: 1.65043012258263
Energy: 1.4629227804693863
Energy: 1.468766501639671
Energy: 1.5318621089700888
Energy: 1.530499769187467
Energy: 1.5177548513102022
Energy: 1.5138582208812272
Energy: 1.5685300100790358
Energy: 1.4950251678117221
Energy: 1.52004541122165
Energy: 1.4672255621844068
Energy: 1.5146709440927744
Energy: 1.695251189684068
Energy: 1.5056589635679876
Energy: 1.4914717005242522
Energy: 1.531320409964423
Energy: 1.4538064329758578
Energy: 1.4844921377346345
Energy: 1.4727991053644027
Energy: 1.4594383214906532
Energy: 1.4934747993958275
Energy: 1.4359899470632638
Energy: 1.5395378167732188
Energy: 1.5423141750562015
Energy: 1.5205159472197585
Energy: 1.5623337064400387
Energy: 1.536183826735577
Energy: 1.6023656505561046
Energy: 1.4785709567139023
Energy: 1.5411667019186688
Energy: 1.6162088824748442
Energy: 1.5722264503397376
Energy: 1.5529670011408965
Energy: 1.5793979382830203
Energy: 1.5940015428120966
Energy: 1.5431073105982862
Energy: 1.7158940736031916
Energy: 1.5019169668047119
Energy: 1.470827586241959
Energy: 1.5392323129285714
Energy: 1.5455960395769732
Energy: 1.5198735016971652
Energy: 1.549680707733255
Energy: 1.4388947324789618
Energy: 1.4838501921609235
Energy: 1.471129532191343
Energy: 1.4699371547752744
Energy: 1.5051415655446796
Energy: 1.4859795422959285
Energy: 1.5640032941031716
Energy: 1.533035096845498
Energy: 1.4897026872861356
Energy: 1.5605785060306139
Energy: 1.5461738862563255
Energy: 1.7137278295721508
Energy: 1.5112942143670962
Energy: 1.49330330274813
Energy: 1.5484867218944363
Energy: 1.510809818332412
Energy: 1.5431390931034616
Energy: 1.5237267271089643
Energy: 1.495025334307641
Energy: 1.512886924889839
Energy: 1.4535435162408945
Energy: 1.541872821039672
Energy: 1.5500225523142444
Energy: 1.5510955535943625
Energy: 1.6132171537844988
Energy: 1.525359896006185
Energy: 1.5247352321688739
Energy: 1.5106581467233486
Energy: 1.4283571809535
Energy: 1.546327467200691
Energy: 1.598995637048446
Energy: 1.6162838613354766
Energy: 1.6070673496193892
Energy: 1.6371718873734937
Energy: 1.6139353609892382
Energy: 1.6136607414554365
Energy: 1.5360309614163248
Energy: 1.5509319961834118
Energy: 1.4905857619158065
Energy: 1.5357732742619137
Energy: 1.577658722400767
Energy: 1.4906484398629842
Energy: 1.434647227400566
Energy: 1.5127582778316306
Energy: 1.5405697135312464
Energy: 1.533680555124068
Energy: 1.4757077940756784
Energy: 1.5091696110637314
Energy: 1.4517720979179987
Energy: 1.4472850073267276
Energy: 1.5101445357600574
Energy: 1.475475666573704
Energy: 1.4904585417091087
Energy: 1.6679221724900721
Energy: 1.5584916852786772
Energy: 1.6409811120044848
Energy: 1.4812246920518797
Energy: 1.5594842899101844
Energy: 1.5334019505913787
Energy: 1.5192308598231918
Energy: 1.494819604709795
Energy: 1.5432048271276888
Energy: 1.5608045499600138
Energy: 1.5231084372608426
Energy: 1.5622345830476232
Energy: 1.470245675324253
Energy: 1.5388336104391522
Energy: 1.6009613316267552
Energy: 1.5127720743895203
Energy: 1.4367105764276695
Energy: 1.5244425335107439
Energy: 1.5558884384497025
Energy: 1.6163020474970442
Energy: 1.4977977631172836
Energy: 1.6164498188182594
Energy: 1.6244181378630034
Energy: 1.5182902120192758
Energy: 1.6004622988921688
Energy: 1.4713326733032386
Energy: 1.5063407568356348
Energy: 1.507533124000744
Energy: 1.6044739423161722
Energy: 1.5769962515910458
Energy: 1.4767457010916323
Energy: 1.5552232929707048
Energy: 1.4527266848406606
Energy: 1.4472817039775425
Energy: 1.5067135058932326
Energy: 1.5350490310183775
Energy: 1.5405861997782264
Energy: 1.5301765643896248
Energy: 1.486667652083312
Energy: 1.5039994388529445
Energy: 1.407124525992884
Energy: 1.510952551137278
Energy: 1.6983836103389738
Energy: 1.4933173682547214
Energy: 1.4842788557695472
Energy: 1.5390533413960497
Energy: 1.5438440034574061
Energy: 1.5586879068575166
Energy: 1.5653958301485387
Energy: 1.4882290236086524
Energy: 1.5533712903782873
Energy: 1.4529347435520183
Energy: 1.5185206738619925

minimum gb energy = 1.407124525992884 eV
minimum distance =  2.17442347743048 Angstroms
sigma value = 39


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

Energy: 1.402602142280048
Energy: 1.4334231614547202
Energy: 1.4827345018760263
Energy: 1.6437328882822353
Energy: 1.4774817090831198
Energy: 1.5411631882511334
Energy: 1.3889423101878051
Energy: 1.3863229182893313
Energy: 1.5075478792734573
Energy: 1.52900692809525
Energy: 1.5182614840357151
Energy: 1.4937517948082073
Energy: 1.4501660944077255
Energy: 1.5958456810022765
Energy: 1.4499360240217873
Energy: 1.3946145338822067
Energy: 1.5245730570935534
Energy: 1.5339611475553512
Energy: 1.5010891495651224
Energy: 1.4510844207873876
Energy: 1.4507402463115913
Energy: 1.471113884002063
Energy: 1.4487615198920414
Energy: 1.5519553767867913
Energy: 1.518045210677049
Energy: 1.5186195985474054
Energy: 1.5288516124255758
Energy: 1.635007845661844
Energy: 1.5046041027683237
Energy: 1.4949551572923807
Energy: 1.533298807828136
Energy: 1.4186973434660364
Energy: 1.5331096864916993
Energy: 1.5396245384061726
Energy: 1.450255931490642
Energy: 1.3922964291006903
Energy: 1.495707906783066
Energy: 1.4169023993084673
Energy: 1.6301012247818043
Energy: 1.5089036869136982
Energy: 1.4687162184202522
Energy: 1.4497230017437972
Energy: 1.454272103645134
Energy: 1.4569977688628217
Energy: 1.41984094858092
Energy: 1.5551685188774764
Energy: 1.3884817563926501
Energy: 1.3888892500438994
Energy: 1.4868785623870433
Energy: 1.3863665186707015
Energy: 1.5055439011821632
Energy: 1.7360455910997892
Energy: 1.3822119460187714
Energy: 1.563711625753684
Energy: 1.5559690220882165
Energy: 1.449756300749595
Energy: 1.386609931655059
Energy: 1.506896362837908
Energy: 1.6993548717892792
Energy: 1.4508126290940282
Energy: 1.5141115200694042
Energy: 1.5313649584951805
Energy: 1.450096887264565
Energy: 1.4548700289812688
Energy: 1.380997547012556
Energy: 1.5276479943311163
Energy: 1.5193145596442745
Energy: 1.497374797012221
Energy: 1.4514953218545328
Energy: 1.4498150308322326
Energy: 1.476999375635318
Energy: 1.4863573413892874
Energy: 1.5484516604213385
Energy: 1.3960076478123087
Energy: 1.5059529856014664
Energy: 1.486184894269051
Energy: 1.5214077288350654
Energy: 1.5023284855851344
Energy: 1.5143792671107477
Energy: 1.5178693686325881
Energy: 1.4524201777945236
Energy: 1.5660026452194085
Energy: 1.5271203611670343
Energy: 1.6342521586713383
Energy: 1.3897794412526778
Energy: 1.4947001638354123
Energy: 1.561315581997895
Energy: 1.5285227682905347
Energy: 1.5196231737047772
Energy: 1.5608216451688848
Energy: 1.4501948939698595
Energy: 1.4518250917928541
Energy: 1.3950839742006997
Energy: 1.4509724324461852
Energy: 1.537816048127563
Energy: 1.3889674166638974
Energy: 1.3875704101804924
Energy: 1.4867538887003857
Energy: 1.3861995638663704
Energy: 1.4584104383459127
Energy: 1.417178800880086
Energy: 1.7637499705802662
Energy: 1.3885678170034492
Energy: 1.3873228555041255
Energy: 1.4483951239053108
Energy: 1.4027125409952077
Energy: 1.5712843625565014
Energy: 1.483993448540093
Energy: 1.4171318827064747
Energy: 1.4773786312463186
Energy: 1.5403359918585013
Energy: 1.3882252259024155
Energy: 1.4500741949959606
Energy: 1.5054218000263564
Energy: 1.5288742571376326
Energy: 1.5183413397093897
Energy: 1.493770928521886
Energy: 1.4529627761647128
Energy: 1.5954883211604944
Energy: 1.4498727507473668
Energy: 1.3946662505960308
Energy: 1.5364388178199073
Energy: 1.5330015779434223
Energy: 1.5011433187047827
Energy: 1.4533637771486434
Energy: 1.4506140460496946
Energy: 1.4708834560740185
Energy: 1.452331812881087
Energy: 1.5524249198910844
Energy: 1.5156098247385317
Energy: 1.5184930588172438
Energy: 1.528392944360501
Energy: 1.6351282942210126
Energy: 1.503540345267797
Energy: 1.4947182658848868
Energy: 1.5342370521369233
Energy: 1.4186216425123215
Energy: 1.44910169289264
Energy: 1.537697326632912
Energy: 1.4499365328661062
Energy: 1.3871518067494741
Energy: 1.4959066936596468
Energy: 1.4170689377613856
Energy: 1.630813788176687
Energy: 1.5088763367623375
Energy: 1.387601165167937
Energy: 1.4495586686270785
Energy: 1.456449081811718
Energy: 1.4568459256789301
Energy: 1.4204723922412348
Energy: 1.5553548431610935
Energy: 1.3883578384558504
Energy: 1.3892816593516946
Energy: 1.4877972417567347
Energy: 1.3865280201840007
Energy: 1.505322843878738
Energy: 1.7358616094314288
Energy: 1.382135458145039
Energy: 1.5627250153220402
Energy: 1.5565302777320302
Energy: 1.4496257586745596
Energy: 1.3872160087676055
Energy: 1.5064972019688336
Energy: 1.418004294253366
Energy: 1.4508365139285604
Energy: 1.5143158767336236
Energy: 1.5321924320207494
Energy: 1.4499894387404657
Energy: 1.4554342539693903
Energy: 1.3804047047235364
Energy: 1.527548638245467
Energy: 1.520364788093551
Energy: 1.4966559674388085
Energy: 1.4525329054684821
Energy: 1.4501460539548685
Energy: 1.4754455204165473
Energy: 1.4868139291933522
Energy: 1.5497020661911505
Energy: 1.3968361577971873
Energy: 1.5147731649769522
Energy: 1.5286308242258022
Energy: 1.5210101490572292
Energy: 1.5013279931017764
Energy: 1.5145174168425906
Energy: 1.5182566790420688
Energy: 1.4878400134132894
Energy: 1.5662978447565417
Energy: 1.5270040085794463
Energy: 1.563689297841193
Energy: 1.3895053922306775
Energy: 1.4946128497813915
Energy: 1.561507558811249
Energy: 1.5282099926888533
Energy: 1.5195384199164046
Energy: 1.5602281047062059
Energy: 1.4504324826277135
Energy: 1.4555351705299144
Energy: 1.3952005791812707
Energy: 1.4505634333752415
Energy: 1.5372028421636736
Energy: 1.389204711781422
Energy: 1.3878606493359213
Energy: 1.4868033856907876
Energy: 1.3861928033379898
Energy: 1.4575202640911944
Energy: 1.4168827195692004
Energy: 1.6334265439355287
Energy: 1.3883589566167318
Energy: 1.3874031857777427
Energy: 1.449539888667628

minimum gb energy = 1.3804047047235364 eV
minimum distance =  2.20143287832567 Angstroms
sigma value = 21


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

Energy: 1.6762555252228852
Energy: 1.671298967467785
Energy: 1.786663959519989
Energy: 1.8188765681156487
Energy: 1.5132278601439726
Energy: 1.5846563050076332
Energy: 1.6717002054658905
Energy: 1.4499820701619686
Energy: 1.4854696186315772
Energy: 1.8090840530763974
Energy: 1.706619612066049
Energy: 1.7724578498644235
Energy: 1.556182333385585
Energy: 1.6607179107358045
Energy: 1.5129392608740162
Energy: 1.5669541599211523
Energy: 1.461196498770799
Energy: 1.7284592936554661
Energy: 1.7383630117575297
Energy: 1.5707022704701417
Energy: 1.5455668657278285
Energy: 1.7011384987259444
Energy: 1.6097838461569993
Energy: 1.4693618063771843
Energy: 1.4326732866622702
Energy: 1.4970965200897615
Energy: 1.4148915830648012
Energy: 1.553106909833585
Energy: 1.4099537251808956
Energy: 1.4871208498787132
Energy: 1.4457464940982492
Energy: 1.4725343468667609
Energy: 1.438246294153817
Energy: 1.4244842685995078
Energy: 1.380699001036836
Energy: 1.388081969956805
Energy: 1.4867771274314057
Energy: 1.5125166998296757
Energy: 1.574502159198496
Energy: 1.3457086406841938
Energy: 1.409372586698116
Energy: 1.3731801639771049
Energy: 1.5748437867929714
Energy: 1.4173638812428349
Energy: 1.4350005816212341
Energy: 1.4984152370234187
Energy: 1.3866716622298798
Energy: 1.386936612796092
Energy: 1.4234833845731862
Energy: 1.5114042828144434
Energy: 1.370178108512472
Energy: 1.4613022783257226
Energy: 1.6990021711460916
Energy: 1.5719075716448208
Energy: 1.4093966883154565
Energy: 1.3820589702424064
Energy: 1.4337210185954323
Energy: 1.5162100439415405
Energy: 1.624055931570036
Energy: 1.590484693720328
Energy: 1.6180859067221043
Energy: 1.5521831476927053
Energy: 1.5226459406735489
Energy: 1.7145340345935054
Energy: 1.7103499557607342
Energy: 1.58147993721623
Energy: 1.5862192444299394
Energy: 1.4175885848095484
Energy: 1.5879729100318951
Energy: 1.716747885208248
Energy: 1.4174656990142303
Energy: 1.540072276726738
Energy: 1.456377525826105
Energy: 1.4921027883383142
Energy: 1.6548797640505963
Energy: 1.535970864277137
Energy: 1.4832551572887578
Energy: 1.434712037085369
Energy: 1.5816172355639657
Energy: 1.5902115668295094
Energy: 1.6424246237444582
Energy: 1.6848214393846026
Energy: 1.6765362971994706
Energy: 1.7170741006857815
Energy: 1.6711705733347049
Energy: 1.599562887749157
Energy: 1.785452166256813
Energy: 1.5907295265563353
Energy: 1.457221384904884
Energy: 1.5249747482808853
Energy: 1.6793403783530145
Energy: 1.6803848860074841
Energy: 1.5160736082189183
Energy: 1.4634342194726195
Energy: 1.4463046399488393
Energy: 1.5825071604049377
Energy: 1.4352327622626018
Energy: 1.727291247491008
Energy: 1.5156484106799153
Energy: 1.5922200529191113
Energy: 1.5784030318392903
Energy: 1.7289623849415998
Energy: 1.7296573299014246
Energy: 1.7005043766348162
Energy: 1.6582494275426325
Energy: 1.7103608602855316
Energy: 1.6100787102784233
Energy: 1.4141682987883324
Energy: 1.638519554742113
Energy: 1.496889576085649
Energy: 1.463087931185564
Energy: 1.5688350981448504
Energy: 1.4154331262725421
Energy: 1.5224918664425175
Energy: 1.5615581212821146
Energy: 1.4605057207821988
Energy: 1.3690510950539705
Energy: 1.5443356538759065
Energy: 1.3803604108551646
Energy: 1.387279488013632
Energy: 1.4847151660528803
Energy: 1.5138896379174849
Energy: 1.4077604977969742
Energy: 1.4324876324211302
Energy: 1.4210166082160205
Energy: 1.5797061890602966
Energy: 1.6704738180222796
Energy: 1.3709597779879925
Energy: 1.5395339134692048
Energy: 1.5264947859615707
Energy: 1.3881877211279692
Energy: 1.3877229989717337
Energy: 1.3737232167501283
Energy: 1.4284510019121586
Energy: 1.3690504641451007
Energy: 1.479358000210596
Energy: 1.5141092180729583
Energy: 1.4802697294993838
Energy: 1.4096974692300024
Energy: 1.5322524748152657
Energy: 1.4340611059571038
Energy: 1.515567882943993
Energy: 1.6947742409580768
Energy: 1.7009758012034513
Energy: 1.7356286285635372
Energy: 1.552435092903458
Energy: 1.51141830676629
Energy: 1.6118890819834926
Energy: 1.561870980978646
Energy: 1.5810809687955623
Energy: 1.4630536868295057
Energy: 1.5627045747875155
Energy: 1.5440665042588249
Energy: 1.3908721499588075
Energy: 1.7074374044376863
Energy: 1.6093946123375973
Energy: 1.7362305920123158
Energy: 1.7928271106944158
Energy: 1.4558923230564724
Energy: 1.5859343511359154
Energy: 1.7891367723032585
Energy: 1.5126221247708747
Energy: 1.6166899987354435
Energy: 1.5083808897224822
Energy: 1.9208338563157574
Energy: 1.6739371871793496
Energy: 1.6768398619612408
Energy: 1.4751482767650594
Energy: 1.6791450521977722
Energy: 1.50971341010345
Energy: 1.6393928690389312
Energy: 1.5604718919510596
Energy: 1.4564317219312146
Energy: 1.5866338298446625
Energy: 1.779937957923826

minimum gb energy = 1.3457086406841938 eV
minimum distance =  2.11267272034058 Angstroms
sigma value = 113


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

Energy: 1.633947367229357
Energy: 1.9450741488989607
Energy: 1.7619621205016427
Energy: 1.7584312898235501
Energy: 1.7157844529195787
Energy: 1.7371858402667517
Energy: 1.8660929025930997
Energy: 1.8303589111719556
Energy: 1.6063976577599273
Energy: 1.8180852042766178
Energy: 1.8509746280836665
Energy: 1.8944454825427581
Energy: 1.794723434289516
Energy: 1.8717083811025743
Energy: 1.7096666779985144
Energy: 1.645180756600354
Energy: 1.6748685017438343
Energy: 1.7497727056178352
Energy: 1.7649283974081988
Energy: 1.662071267868405
Energy: 1.696500394897421
Energy: 1.6521950134075125
Energy: 1.7915258237193514
Energy: 1.6301314418786854
Energy: 1.676155897187787
Energy: 1.7533540726268417
Energy: 1.6499783705310698
Energy: 1.6508518480480374
Energy: 1.6494014670952581
Energy: 1.7089393338187537
Energy: 1.7126195241886446
Energy: 1.6421546498321673
Energy: 1.607140142941632
Energy: 1.7555647637846539
Energy: 1.6590686745060093
Energy: 1.4731216185748035
Energy: 1.5404514854933322
Energy: 1.6660720483004903
Energy: 1.663499913506663
Energy: 1.5093792428676418
Energy: 1.562875800862329
Energy: 1.6625427294853503
Energy: 1.6554217804189073
Energy: 1.5612161170517553
Energy: 1.5503022305866005
Energy: 1.5881402964181932
Energy: 1.6494467457974031
Energy: 1.5478907313816583
Energy: 1.5549397919829324
Energy: 1.5416814205968445
Energy: 1.3786118440120319
Energy: 1.687414213030629
Energy: 1.783423310888721
Energy: 1.7504947226614607
Energy: 1.7339119989988858
Energy: 1.4796616609570914
Energy: 1.4492381995691468
Energy: 1.4556449745181248
Energy: 1.5595645280715025
Energy: 1.6657611721102796
Energy: 1.5832049959228989
Energy: 1.5740053055417553
Energy: 1.654215120983383
Energy: 1.6426823911098287
Energy: 1.66748503405043
Energy: 1.7277514028416256
Energy: 1.4392566351709952
Energy: 1.438510705656374
Energy: 1.5795822769068908
Energy: 1.5701490959600555
Energy: 1.648403078206903
Energy: 1.5286039473975823
Energy: 1.6388721784523241
Energy: 1.4453092451876017
Energy: 1.5591629773084248
Energy: 1.644152701380254
Energy: 1.4969426559793007
Energy: 1.4856875569534964
Energy: 1.3488799227341148
Energy: 1.6936833506921007
Energy: 1.6219940195045828
Energy: 1.6187208012066703
Energy: 1.6164304079230867
Energy: 1.427647524377743
Energy: 1.7181235107146084
Energy: 1.3745909729300416
Energy: 1.479757155120317
Energy: 1.6446780704395665
Energy: 1.7146777483417672
Energy: 1.693067306342847
Energy: 1.4636940133638807
Energy: 1.688500254614665
Energy: 1.5803752278773178
Energy: 1.6399874360181415
Energy: 1.571639782368472
Energy: 1.5757532320296412
Energy: 1.5674083808148476
Energy: 1.5426278128937192
Energy: 1.4959638683991174
Energy: 1.6011555899357148
Energy: 1.6479977087552409
Energy: 1.475868589909258
Energy: 1.575453431012243
Energy: 1.503153874556077
Energy: 1.6337026821057072
Energy: 1.6371252284439357
Energy: 1.5579141044582192
Energy: 1.7228739613473045
Energy: 1.6226950006424414
Energy: 1.7834025909870679
Energy: 1.6784735927000964
Energy: 1.5937831343718778
Energy: 1.6311527208791035
Energy: 1.6865603258323658
Energy: 1.561277363894059
Energy: 1.7556044346864326
Energy: 1.6828530356344966
Energy: 1.6578533226181988
Energy: 1.5990087718606214
Energy: 1.546028781445839
Energy: 1.5644308293893527
Energy: 1.5674049687491207
Energy: 1.6582386104050584
Energy: 1.6613890307526966
Energy: 1.6622018169715844
Energy: 1.610685168304856
Energy: 1.7730400230731387
Energy: 1.6909801367623127
Energy: 1.7997101340015675
Energy: 1.7614836952641288
Energy: 1.8451836994266446
Energy: 1.8418056782420287
Energy: 1.7579342573496948
Energy: 1.6515368744668657
Energy: 1.6392611571658506
Energy: 1.6721244536245996
Energy: 1.8001034944622796
Energy: 1.6608113985868795
Energy: 1.687421763968927
Energy: 1.7243421201932607
Energy: 1.8105876777613417
Energy: 1.8712712223390469
Energy: 1.5174438260134084
Energy: 1.7851603382004595
Energy: 1.6658504280539088
Energy: 1.652479109643357
Energy: 1.7820259996199526
Energy: 1.729641600316497
Energy: 1.891869730586158
Energy: 1.5597554757413297
Energy: 1.7968122331266914
Energy: 1.671012235041379
Energy: 1.649298300362759
Energy: 1.784222855532105
Energy: 1.633031466440245
Energy: 1.8246860538592937
Energy: 1.7720492261286838
Energy: 1.7714193073284465
Energy: 1.7134456445265402
Energy: 1.7320454659497135
Energy: 1.8596319473885219
Energy: 1.8398881438646013
Energy: 1.606338213464365
Energy: 1.8506417126168793
Energy: 1.7931297461389537
Energy: 1.8146732033607629
Energy: 1.829333564253576
Energy: 1.847284866495625
Energy: 1.55112010152922
Energy: 1.7129920178833864
Energy: 1.6686385974380638
Energy: 1.7529310222754255
Energy: 1.6686398848776258
Energy: 1.6540095205485632
Energy: 1.7270410844737307
Energy: 1.6536532086466829
Energy: 1.7795485854145503
Energy: 1.6509354496002615
Energy: 1.6882103959084425
Energy: 1.720557371957033
Energy: 1.647306062233124
Energy: 1.6495213735706844
Energy: 1.6635500813715098
Energy: 1.7100842079566252
Energy: 1.6946374655109628
Energy: 1.6411573693595667
Energy: 1.7023448878472576
Energy: 1.7196388685282664
Energy: 1.6626606396615213
Energy: 1.4726852317445196
Energy: 1.6668261521961465
Energy: 1.6691770967470623
Energy: 1.6606902700086064
Energy: 1.508850190649612
Energy: 1.563680045873336
Energy: 1.663318064294798
Energy: 1.6267154013848375
Energy: 1.5591465140568037
Energy: 1.5038633771843855
Energy: 1.659857853891877
Energy: 1.6746444396998603
Energy: 1.5486692352040106
Energy: 1.550936785493081
Energy: 1.594070053574806
Energy: 1.3779660781561225
Energy: 1.4786409133369893
Energy: 1.7254447656793677
Energy: 1.6167771824464063
Energy: 1.5362619492191243
Energy: 1.484653917783184
Energy: 1.45067459068955
Energy: 1.4551136482368727
Energy: 1.653186583049004
Energy: 1.6622885500281477
Energy: 1.5775529093837994
Energy: 1.6898521077212731
Energy: 1.6773925957620528
Energy: 1.7109311663638598
Energy: 1.6692430565096363
Energy: 1.7683323556584059
Energy: 1.421967616345612
Energy: 1.377333722721983
Energy: 1.6482375861099048
Energy: 1.5109505439694793
Energy: 1.6131411862155791
Energy: 1.5207260921425858
Energy: 1.6369396831748
Energy: 1.4427735716763703
Energy: 1.4927010666769818
Energy: 1.6366326950637433
Energy: 1.4940186685323122
Energy: 1.5967815513873778
Energy: 1.471424274277718
Energy: 1.6611352269436797
Energy: 1.6465014752117073
Energy: 1.5931148015538084
Energy: 1.6382851828385263
Energy: 1.4510324216712949
Energy: 1.679077301926352
Energy: 1.3730567566574259
Energy: 1.4774594436286415
Energy: 1.6565678781487922
Energy: 1.7053891443628582
Energy: 1.53663800657857
Energy: 1.3667027346829494
Energy: 1.6784391584357647
Energy: 1.580476340607971
Energy: 1.771436916430559
Energy: 1.5814748971134531
Energy: 1.562133004212122
Energy: 1.5036840754996588
Energy: 1.5439897710000872
Energy: 1.4953632226065656
Energy: 1.6010114516770455
Energy: 1.6468932112813124
Energy: 1.4835912685889938
Energy: 1.5729888501357572
Energy: 1.5069312896272598
Energy: 1.6012756873082656
Energy: 1.641487971901315
Energy: 1.5574582734685225
Energy: 1.735427550729373
Energy: 1.5804223948050935
Energy: 1.601005870690352
Energy: 1.7986995847926566
Energy: 1.5930070860332386
Energy: 1.631539751938573
Energy: 1.5729026385766052
Energy: 1.56131070319696
Energy: 1.6384281304839747
Energy: 1.6600383099575473
Energy: 1.5725614687283374
Energy: 1.550639109063181
Energy: 1.5475129310173144
Energy: 1.5189700221151268
Energy: 1.5718989352888104
Energy: 1.6588084040643902
Energy: 1.7506440463980992
Energy: 1.6703203733083598
Energy: 1.7124826453437891
Energy: 1.7500187765492377
Energy: 1.6885952345739859
Energy: 1.7370109732739667
Energy: 1.7894550218821255
Energy: 1.6464278828458427
Energy: 1.8522033855495965
Energy: 1.7558162862393398
Energy: 1.654953249535677
Energy: 1.7988026344171288
Energy: 1.6664498461763733
Energy: 1.7961872880185128
Energy: 1.6604901219241193
Energy: 1.734394206374158
Energy: 1.8887577013611094
Energy: 1.8159094282817696
Energy: 1.8763510302626893
Energy: 1.4762954775631387
Energy: 1.7101470526197933
Energy: 1.6705768883632524
Energy: 1.6475303515193012
Energy: 1.848699363113034
Energy: 1.721433362659505
Energy: 1.8036185459211878
Energy: 1.5585511034998225
Energy: 1.7820056764906487
Energy: 1.6652664669531783
Energy: 1.645580416145697
Energy: 1.813770918881247
Energy: 1.6334020901918995
Energy: 1.6087673067825015
Energy: 1.7503935469007796
Energy: 1.7684185781105146
Energy: 1.7202743469704096
Energy: 1.6937559287544879
Energy: 1.7017376566861055

minimum gb energy = 1.3488799227341148 eV
minimum distance =  2.13998551196073 Angstroms
sigma value = 365


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

Energy: 1.4993820537049998
Energy: 1.4349894092318385
Energy: 1.4385767596728956
Energy: 1.4316295140046706
Energy: 1.432023985188259
Energy: 1.4362136541485637
Energy: 1.4334306406604758
Energy: 1.4348132361870767
Energy: 1.697000053374706
Energy: 1.3970926895891005
Energy: 1.401808415113132
Energy: 1.39974898601623
Energy: 1.3974215934949263
Energy: 1.6985207581349369
Energy: 1.397560341399775
Energy: 1.7583046868999732
Energy: 1.4000019485710002
Energy: 1.4140150110657843
Energy: 1.4107924514780745
Energy: 1.4011660371134373
Energy: 1.4326837570241648
Energy: 1.398405339743213
Energy: 1.7589819323424025
Energy: 1.4027701513252702
Energy: 1.434330529103421
Energy: 1.42987320244084
Energy: 1.4044667659189625
Energy: 1.4366017281120562
Energy: 1.4331049367609416
Energy: 1.7066226720058424
Energy: 1.407578870578865
Energy: 1.7121720696351246
Energy: 1.3821273292723606
Energy: 1.4065317411786324
Energy: 1.7027355975786274
Energy: 1.3973202563867928
Energy: 1.7855576784226757
Energy: 1.4336492133292669
Energy: 1.4324040213661338
Energy: 1.4325463696013945
Energy: 1.436477656109512
Energy: 1.4338445956669421
Energy: 1.3981291457755414
Energy: 1.73634428728948
Energy: 1.3993999307237137
Energy: 1.4095435918400288
Energy: 1.4066871330730464
Energy: 1.4001269583269127
Energy: 1.6971369134628385
Energy: 1.3974779324903928
Energy: 1.7576684277254242
Energy: 1.3995534833917942
Energy: 1.4102001243673041
Energy: 1.407077722044587
Energy: 1.399945358651795
Energy: 1.7591951941351986
Energy: 1.3984162103251918
Energy: 1.7877565940053177
Energy: 1.3985838769816057
Energy: 1.4330247178042723
Energy: 1.433332159270294
Energy: 1.403227299831394
Energy: 1.4348042906523355
Energy: 1.432793407193879
Energy: 1.7005271477858512
Energy: 1.4071039014169555
Energy: 1.7102916588528343
Energy: 1.709117778162787
Energy: 1.406416530486563
Energy: 1.6992719816144082
Energy: 1.3999914126247026
Energy: 1.7926351690494586
Energy: 1.399047246383795
Energy: 1.4336394678180304
Energy: 1.434129846696403
Energy: 1.4096918067819206
Energy: 1.4353273370167623
Energy: 1.3975085655843025
Energy: 1.7577185574596987
Energy: 1.3994760461632652
Energy: 1.4116798926763787
Energy: 1.4081631537227288
Energy: 1.4005292004735697
Energy: 1.7586920052912036
Energy: 1.3986253219816485
Energy: 1.6966058823411228
Energy: 1.399871097435537
Energy: 1.408841473736447
Energy: 1.405288581044014
Energy: 1.4006431300356212
Energy: 1.6973381940524501
Energy: 1.395750522889385
Energy: 1.7599001494041004
Energy: 1.4382931174137255
Energy: 1.4321187454812372
Energy: 1.4320335648819507
Energy: 1.4364496145519017
Energy: 1.433613520260267
Energy: 1.433564977921851
Energy: 1.698519936796864
Energy: 1.4073297434062184
Energy: 1.3845779509408087
Energy: 1.3994086391605312
Energy: 1.3973834612946536
Energy: 1.7097358077379428
Energy: 1.3983115715478074
Energy: 1.758632298193261
Energy: 1.4016544722650899
Energy: 1.4304703454999999
Energy: 1.4173285721947104
Energy: 1.4029748717087807
Energy: 1.4373677811492116
Energy: 1.3981569244148107
Energy: 1.7584963263792917
Energy: 1.400847777296764
Energy: 1.4192852555784359
Energy: 1.4129742653367494
Energy: 1.4024147079978637
Energy: 1.4328917477441938
Energy: 1.4340087581965317
Energy: 1.6969871852726575
Energy: 1.3972634834209081
Energy: 1.4007810165324734
Energy: 1.400303944080316
Energy: 1.3968797880607575
Energy: 1.7022880103362565
Energy: 1.3964327242312833
Energy: 1.761505653715606
Energy: 1.4382337811164168
Energy: 1.4317117048560335
Energy: 1.431843715033581
Energy: 1.4366936925691036
Energy: 1.4335134617456522
Energy: 1.3990391150008368
Energy: 1.6967691446618216
Energy: 1.4001783341493732
Energy: 1.4075102113028106
Energy: 1.405101054131818
Energy: 1.3998059169379513
Energy: 1.69721888569081

minimum gb energy = 1.3821273292723606 eV
minimum distance =  2.28063492594204 Angstroms
sigma value = 23