Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6473073810338983
cohesive_energy=4.1514735882010125
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.019322145228785084
Energy: 1.7487265461073875
Energy: 1.143476676783276
Energy: 1.7484860304797794
Energy: 0.019322145229791258
Energy: 1.7487265461061579
Energy: 0.387621161571307
Energy: 0.7320546730119443
Energy: 0.0198224511534201
Energy: 0.2938027139505822
Energy: 0.01970555597485833
Energy: 0.7320546730116927
Energy: 0.0198224511534201
Energy: 0.2938027139485978
Energy: 0.019322145228785084
Energy: 1.7487265461078907
Energy: 1.1434766767822977
Energy: 1.7484860304792762
Energy: 0.019322145229791258
Energy: 1.7487265461061579
Energy: 0.3876211615705804
Energy: 0.7320546730119443
Energy: 0.019822451153923188
Energy: 0.2938027139505822
Energy: 0.01970555597485833
Energy: 0.7320546730116927
Energy: 0.019822451153168556
Energy: 0.2938027139491009
Energy: 0.019322145228785084
Energy: 1.7487265461071362
Energy: 0.3876211615715586
Energy: 1.7484860304797794
Energy: 0.019322145230014853
Energy: 1.7487265461064094
Energy: 0.3876211615708319
Energy: 0.7320546730121958
Energy: 0.019822451153923188
Energy: 0.2938027139505822
Energy: 0.01970555597460678
Energy: 0.7320546730121958
Energy: 0.0198224511534201
Energy: 0.2938027139493524

minimum gb energy = 0.019322145228785084 eV
minimum distance =  2.55758694694994 Angstroms
sigma value = 5


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

Energy: 1.5567556878887223
Energy: 1.601112116959739
Energy: 1.5144771766087688
Energy: 1.601023977690198
Energy: 1.556755687894732
Energy: 1.6011121169567344
Energy: 1.5144771765997547
Energy: 1.5471917753464255
Energy: 1.5276294633811889
Energy: 1.6180403020284406
Energy: 1.5593496307930041
Energy: 1.5471917753494304
Energy: 1.5276294633781842
Energy: 1.6180403020404055
Energy: 1.4858416161332453
Energy: 1.452321992435595
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Energy: 1.487117419127054
Energy: 1.4858416161332453
Energy: 1.4523219924295852
Energy: 1.6411897806747835
Energy: 1.600467462866932
Energy: 1.5574892100555764
Energy: 1.618165333242081
Energy: 1.4771419585274912
Energy: 1.600467462866932
Energy: 1.5574892100555764
Energy: 1.618165333242081
Energy: 1.4643193550589328
Energy: 1.4112225257355366
Energy: 1.5898906922339548
Energy: 1.5365844469322472
Energy: 1.4643193550679472
Energy: 1.4112225257295818
Energy: 1.5898906922339548
Energy: 1.5391287532275755
Energy: 1.5137816526395853
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Energy: 1.5666468446551625
Energy: 1.5391287532305804
Energy: 1.51378165264259
Energy: 1.5338293704410295
Energy: 1.437353202007947
Energy: 1.5227616175127465
Energy: 1.6471363525022933
Energy: 1.5351191425186725
Energy: 1.4373532020049424
Energy: 1.522761617509742
Energy: 1.6467060326958645
Energy: 1.4228264507833734
Energy: 1.465429655363745
Energy: 1.7012555681935886
Energy: 1.515933257330271
Energy: 1.4228264507773638
Energy: 1.4654296553667499
Energy: 1.701255568202603
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Energy: 1.4899116288516745
Energy: 1.7833595044580304
Energy: 1.5039292235963653
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Energy: 1.4899116288456649
Energy: 1.7833595044580304
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Energy: 1.5511044348308929
Energy: 1.704030601826368
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Energy: 1.7040306018323774
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Energy: 1.4971699645257803
Energy: 1.5273435017266834
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Energy: 1.5557741169183863
Energy: 1.5675503335862992
Energy: 1.572456654936806
Energy: 1.6669030723278992
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Energy: 1.5675503335862992
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Energy: 1.581665391340837
Energy: 1.5878460285640301
Energy: 1.4954124630313017
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Energy: 1.5878460285640301
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Energy: 1.5962539885450258
Energy: 1.5576976771589883
Energy: 1.4747594024918453
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Energy: 1.5376185018623612
Energy: 1.793165089460485
Energy: 1.5664110892476402
Energy: 1.6357287810876053
Energy: 1.537618501859356
Energy: 1.4717860102971527
Energy: 1.4403041084139447
Energy: 1.5118748026498139
Energy: 1.572522740983652
Energy: 1.4717860103001574
Energy: 1.4403041084109403
Energy: 1.5118748026468092
Energy: 1.4665329443937565
Energy: 1.4502852669116693
Energy: 1.6782611829749796
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Energy: 1.4665329443907518
Energy: 1.450285266914674
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Energy: 1.4829559447614031
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Energy: 1.6793559516483634
Energy: 1.4794787943677152
Energy: 1.4829559447584528
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Energy: 1.442112016138674
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Energy: 1.5870684372642079
Energy: 1.5014152890561303
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Energy: 1.523070463507709
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Energy: 1.5390851219976343
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Energy: 1.4333777793165081
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Energy: 1.486394537230442
Energy: 1.733884398358925
Energy: 1.5071035376928281
Energy: 1.4425725735112505
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Energy: 1.6182639013284343
Energy: 1.6519555539859776
Energy: 1.4777324522815398
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Energy: 1.6182639013344438
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Energy: 1.5054836149977489
Energy: 1.507355631737231
Energy: 1.5715965761983797
Energy: 1.580556858146756
Energy: 1.505483615000754
Energy: 1.5073556317312213
Energy: 1.5715965762013846
Energy: 1.5426368348480362
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Energy: 1.6482678465350895
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Energy: 1.6228578661454671
Energy: 1.6351272643581334
Energy: 1.5606866615948842
Energy: 1.6753602424152731
Energy: 1.546895884773015
Energy: 1.7357790263541348
Energy: 1.5606866615918793
Energy: 1.6753602424152731
Energy: 1.546895884773015
Energy: 1.5007571112008895
Energy: 1.5963758682817746
Energy: 1.6044690395352825
Energy: 1.481251628627816
Energy: 1.5007571112068987
Energy: 1.5963758682877842
Energy: 1.6044690395352825
Energy: 1.4361662049584711
Energy: 1.5012124507199136
Energy: 1.689822070495302
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Energy: 1.4361662049524615
Energy: 1.5012124507199136
Energy: 1.6898220704922973
Energy: 1.4447595392521586
Energy: 1.613636970318186
Energy: 1.626237623711028
Energy: 1.6211928292440443
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Energy: 1.6136369703151814
Energy: 1.626237623714033
Energy: 1.5290172209529462
Energy: 1.4866017707298376
Energy: 1.5986751746159613
Energy: 1.5805804176285636
Energy: 1.5290172209589556
Energy: 1.4866017707358474
Energy: 1.5986751746159613
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Energy: 1.689715522929114
Energy: 1.4404166130928946
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Energy: 1.523735220206421
Energy: 1.6897155229321188
Energy: 1.482624194413868
Energy: 1.4310124901226926
Energy: 1.6858832755714446
Energy: 1.495130915326895
Energy: 1.4826241944168728
Energy: 1.4310124901287022
Energy: 1.685883275544456
Energy: 1.4533286429926693
Energy: 1.460604863452112
Energy: 1.5374870983539628
Energy: 1.5314712501047394
Energy: 1.453328642995674
Energy: 1.4606048634430975
Energy: 1.5374870983539628
Energy: 1.437025742065734
Energy: 1.5399670874554177
Energy: 1.573297089086907
Energy: 1.4519252132663518
Energy: 1.4370257420627295
Energy: 1.5399670874554177
Energy: 1.5732970890839022
Energy: 1.4173344634051555
Energy: 1.435250813848406
Energy: 1.7450440307321367
Energy: 1.4993825724669856
Energy: 1.4173344634021505
Energy: 1.4352508138273723
Energy: 1.7450440307351414
Energy: 1.4198387433305646
Energy: 1.5227944335415013
Energy: 1.635352903507816
Energy: 1.526674924155464
Energy: 1.41983874332155
Energy: 1.5227944335384966
Energy: 1.635352903507816
Energy: 1.5497370666847368
Energy: 1.5708212076714825
Energy: 1.5717360766522843
Energy: 1.541494271598368
Energy: 1.5497370666847368
Energy: 1.5708212076744874
Energy: 1.5717360766552892
Energy: 1.5404767192345556
Energy: 1.632298617309714
Energy: 1.5808208279635805
Energy: 1.584842772603492
Energy: 1.540476719246575
Energy: 1.6322986173067093
Energy: 1.5808208279605755
Energy: 1.529580948106121
Energy: 1.5228030055818822
Energy: 1.6030621727048482
Energy: 1.5527625909013258
Energy: 1.529580948106121
Energy: 1.5228030055878916
Energy: 1.6030621726988386
Energy: 1.519035385526667
Energy: 1.5044231540873843
Energy: 1.5588847954975604
Energy: 1.4334891535428738
Energy: 1.5190353855206575
Energy: 1.5044231540843793
Energy: 1.55888479550357
Energy: 1.6824084444917053
Energy: 1.552323184115152
Energy: 1.5498728943850866
Energy: 1.581367022299075
Energy: 1.6824084444796863
Energy: 1.5523231841031329
Energy: 1.5498728943880915
Energy: 1.4974346598312263
Energy: 1.5310987382874375
Energy: 1.5271027930536756
Energy: 1.5388691081578896
Energy: 1.4974346598342307
Energy: 1.5310987382904424
Energy: 1.5271027930536756
Energy: 1.423822927641702
Energy: 1.4898877059769002
Energy: 1.6390569692716535
Energy: 1.4656024402434022
Energy: 1.423822927641702
Energy: 1.4898877059769002
Energy: 1.6390569692746586
Energy: 1.4550203418237573
Energy: 1.5212611439859478
Energy: 1.7081429738496687
Energy: 1.584527960431198
Energy: 1.455020341826762
Energy: 1.5212611439829429
Energy: 1.7081429738466638
Energy: 1.414709750034818
Energy: 1.5724240854302969
Energy: 1.5875252157945718
Energy: 1.5034069513366397
Energy: 1.4147097500408277
Energy: 1.5724240854363065
Energy: 1.587525215797577

minimum gb energy = 1.4112225257295818 eV
minimum distance =  2.30062416345035 Angstroms
sigma value = 401


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

Energy: 1.5831414618522026
Energy: 1.7289765760588713
Energy: 1.592944395111464
Energy: 1.6006497194407343
Energy: 1.5831414618522026
Energy: 1.7289765760588713
Energy: 1.5929443951148745
Energy: 1.477072648318982
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Energy: 1.7159472935969946
Energy: 1.52986608598456
Energy: 1.4770726483155714
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Energy: 1.7159472935969946
Energy: 1.4864045240711037
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Energy: 1.5226897486914281
Energy: 1.5775500821994102
Energy: 1.5261764029044238
Energy: 1.4982213760201086
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Energy: 1.6004247819542343
Energy: 1.5143521954910106
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Energy: 1.7455926109845985
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Energy: 1.698568728241343
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Energy: 1.5033856540781085
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Energy: 1.5961889921110146
Energy: 1.5968076193528886
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Energy: 1.5371288605105522
Energy: 1.4841056418173757
Energy: 1.68033468196411
Energy: 1.577395731364493
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Energy: 1.4841056418207865
Energy: 1.6803346819606995
Energy: 1.5043756232762473
Energy: 1.5033856540746977
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Energy: 1.6634477793396627
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Energy: 1.5033856540815194
Energy: 1.76722387959872
Energy: 1.5831414618522026
Energy: 1.7289765760588713
Energy: 1.5929443951148745
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Energy: 1.7289765760588713
Energy: 1.5929443951148745
Energy: 1.477072648318982
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Energy: 1.529866085981149
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Energy: 1.4864045240711037
Energy: 1.6179578622900446
Energy: 1.6052096165898773
Energy: 1.4832640478587307
Energy: 1.4864045240745145
Energy: 1.6179578622900446
Energy: 1.605209616593226
Energy: 1.5226897486914281
Energy: 1.5775500821959993
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Energy: 1.5775500821994102
Energy: 1.5261764029044238
Energy: 1.4982213760235195
Energy: 1.5870514633716175
Energy: 1.6004247819542343
Energy: 1.5143521954910106
Energy: 1.4982213760201086
Energy: 1.5870514633750286
Energy: 1.6004247819542343
Energy: 1.4439857777758907
Energy: 1.5013478997911773
Energy: 1.636231470010867
Energy: 1.5218485436707474
Energy: 1.4439857777758907
Energy: 1.5013478997877665
Energy: 1.636231470010867
Energy: 1.4680627536845412
Energy: 1.5074612109514178
Energy: 1.7455926109845985
Energy: 1.5073385961983097
Energy: 1.4680627536913007
Energy: 1.5074612109582395
Energy: 1.7517515412861155
Energy: 1.4688063761395678
Energy: 1.5095680463130727
Energy: 1.7019646960237664
Energy: 1.5231405283379402
Energy: 1.468806376136157
Energy: 1.5095680463096617
Energy: 1.7034665770597874
Energy: 1.4374700289789164
Energy: 1.527229061037579
Energy: 1.5653390040869442
Energy: 1.5585100951344935
Energy: 1.4374700289789164
Energy: 1.527229061037579
Energy: 1.565339004090355
Energy: 1.514775354065142
Energy: 1.5961889921110146
Energy: 1.5915654701559814
Energy: 1.5453141106098165
Energy: 1.514775354068553
Energy: 1.5961889921076038
Energy: 1.534939462536667
Energy: 1.5382399843119627
Energy: 1.551548152791453
Energy: 1.588974023428754
Energy: 1.5576113882104954
Energy: 1.5382399843119627
Energy: 1.551548152794864
Energy: 1.57348411690643
Energy: 1.5382379575041887
Energy: 1.4841056418173757
Energy: 1.698568728241343
Energy: 1.5773957313679037
Energy: 1.5382379575007776
Energy: 1.4841056418207865
Energy: 1.6803346819606995
Energy: 1.46415854379081
Energy: 1.5033856540781085
Energy: 1.7417413809329483
Energy: 1.6634477793396627
Energy: 1.4641585437942206
Energy: 1.5033856540746977
Energy: 1.76722387959872
Energy: 1.4715664287623258
Energy: 1.7289765760588713
Energy: 1.5929443951148745
Energy: 1.6006497194407343
Energy: 1.4715664287555041
Energy: 1.7289765760588713
Energy: 1.5929443951148745
Energy: 1.477072648318982
Energy: 1.5987453766852306
Energy: 1.7159472935969946
Energy: 1.5150469583806019
Energy: 1.477072648318982
Energy: 1.59874537668182
Energy: 1.7159472935969946

minimum gb energy = 1.4374700289755056 eV
minimum distance =  2.29868942970033 Angstroms
sigma value = 311


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

Energy: 1.682610057413812
Energy: 1.6548947490045245
Energy: 1.6283069802705652
Energy: 1.6192514950669066
Energy: 1.6826100574146
Energy: 1.6548947490049184
Energy: 1.666539095048502
Energy: 1.6194476181602178
Energy: 1.6839987527355367
Energy: 1.624280064406527
Energy: 1.587355289145568
Energy: 1.6194476181602178
Energy: 1.6839987527370766
Energy: 1.624280064407315
Energy: 1.6504678313435086
Energy: 1.5722059804454742
Energy: 1.631929498350976
Energy: 1.5937806297816104
Energy: 1.6504678313431145
Energy: 1.5722059804454742
Energy: 1.6187458446393725
Energy: 1.563563024579629
Energy: 1.601104895698158
Energy: 1.6613650040487433
Energy: 1.4934336349457145
Energy: 1.5635630245788414
Energy: 1.6011048956989453
Energy: 1.661365004049137
Energy: 1.6074721621677432
Energy: 1.632793174147033
Energy: 1.7520068060513607
Energy: 1.6172158541543498
Energy: 1.6074721621705002
Energy: 1.6327931741490023
Energy: 1.7419053604242585
Energy: 1.5985048862933628
Energy: 1.6043172248776993
Energy: 1.6277996691599539
Energy: 1.5074886882810055
Energy: 1.5985048862937568
Energy: 1.6043172248796687
Energy: 1.627799669161529
Energy: 1.5658026653466985
Energy: 1.6984033396816762
Energy: 1.7285574391152636
Energy: 1.5944111301854023
Energy: 1.5658026653455168
Energy: 1.6984033396828582
Energy: 1.6493132193832214
Energy: 1.5932669531928862
Energy: 1.6101586577364968
Energy: 1.758085613339557
Energy: 1.5620296799471949
Energy: 1.59326695319328
Energy: 1.6101586577364968
Energy: 1.7580856133399512
Energy: 1.5946845402395236
Energy: 1.5083951994978457
Energy: 1.6322570933069303
Energy: 1.5510758527514816
Energy: 1.594684540241099
Energy: 1.5083951994962703
Energy: 1.6322570933053553
Energy: 1.5682143467813334
Energy: 1.5542573771199861
Energy: 1.6733975286000313
Energy: 1.6381825583281429
Energy: 1.5682143467809395
Energy: 1.5542573771219554
Energy: 1.6733975285992435
Energy: 1.6416968266522252
Energy: 1.5666562142300238
Energy: 1.6279526061318168
Energy: 1.5547117051031445
Energy: 1.6416968266522252
Energy: 1.5666562142308111
Energy: 1.627952606131423
Energy: 1.630890303514554
Energy: 1.6224514825662333
Energy: 1.7183968414909006
Energy: 1.6731401323111692
Energy: 1.630890303515342
Energy: 1.6224514825666267
Energy: 1.7183968414940514
Energy: 1.6075907239821365
Energy: 1.5585921153164684
Energy: 1.7620259158483358
Energy: 1.5999039060169336
Energy: 1.607590723980561
Energy: 1.5585921153176499
Energy: 1.7620259158499114
Energy: 1.5504612498373957
Energy: 1.6274368850013656
Energy: 1.7516195782631088
Energy: 1.5734377182538073
Energy: 1.550461249837002
Energy: 1.6274368850021537
Energy: 1.7516195782646842
Energy: 1.6095093072219315
Energy: 1.5535497622674264
Energy: 1.7520354834013474
Energy: 1.511025695166557
Energy: 1.6095093072219315
Energy: 1.553549762268214
Energy: 1.7520354834005596
Energy: 1.6397885347795642
Energy: 1.6562424118885009
Energy: 1.659213440863979
Energy: 1.5972955541900418
Energy: 1.6397885347787766
Energy: 1.6562424118881067
Energy: 1.6592134408624035
Energy: 1.6281328163390825
Energy: 1.5875973794110638
Energy: 1.5903432985931107
Energy: 1.5694900431970824
Energy: 1.6281328163367195
Energy: 1.587597379410276
Energy: 1.5903432985938983
Energy: 1.5839530198608107
Energy: 1.733439744672314
Energy: 1.7603425891324516
Energy: 1.559063492862559
Energy: 1.5839530198596292
Energy: 1.7334397446738894
Energy: 1.7603425891324516
Energy: 1.587308857224482
Energy: 1.5886662427982845
Energy: 1.69192620289035
Energy: 1.5361448092643215
Energy: 1.587308857224876
Energy: 1.5886662427994662
Energy: 1.6919262028887747
Energy: 1.6461796022382806
Energy: 1.49607734665531
Energy: 1.698264583025496
Energy: 1.6315935598968423
Energy: 1.6461796022386748
Energy: 1.4960773466537347
Energy: 1.6982645830251022
Energy: 1.6086151599707934
Energy: 1.533210701157795
Energy: 1.7359164240971106
Energy: 1.649557106694519
Energy: 1.6086151599711873
Energy: 1.533210701157795
Energy: 1.7791673845939793
Energy: 1.6260169975527778
Energy: 1.5391859564283112
Energy: 1.6338533580048247
Energy: 1.5795684591380996
Energy: 1.6260169975523842
Energy: 1.5391859564275239
Energy: 1.633853358004431
Energy: 1.5956836176479667
Energy: 1.619171307564485
Energy: 1.6867957647640195
Energy: 1.640709242158444
Energy: 1.5956836176471787
Energy: 1.619171307564091
Energy: 1.7666832975100983
Energy: 1.580587899982043
Energy: 1.5574874843001527
Energy: 1.7332974693557806
Energy: 1.5995968568219066
Energy: 1.5805878999804674
Energy: 1.5574874843017281
Energy: 1.733297469355387
Energy: 1.7213203174169474
Energy: 1.5920250925825958
Energy: 1.672727103773739
Energy: 1.57865563304652
Energy: 1.7213203174189167
Energy: 1.5920250925822024
Energy: 1.6697313428161968
Energy: 1.630186649020492
Energy: 1.5815232966995965
Energy: 1.576077190393173
Energy: 1.6237743231804043
Energy: 1.6301866490189167
Energy: 1.5815232966984147
Energy: 1.576077190393173
Energy: 1.650841775652854
Energy: 1.6028243992490692
Energy: 1.6428613578445501
Energy: 1.6595384823335186
Energy: 1.6508417756508846
Energy: 1.6028243992502507
Energy: 1.6346829231077487
Energy: 1.5962219567837774
Energy: 1.7211925292077273
Energy: 1.5611348497518585
Energy: 1.5647927434056552
Energy: 1.5962219567833833
Energy: 1.7211925292073338
Energy: 1.561134849749889
Energy: 1.6021553658489323
Energy: 1.6033462482386451
Energy: 1.6157950733068285
Energy: 1.5800244532173653
Energy: 1.602155365850114
Energy: 1.603346248241402
Energy: 1.615795073306041
Energy: 1.546611411349094
Energy: 1.6066163216282559
Energy: 1.7160340908727116
Energy: 1.5384597529056145
Energy: 1.546611411347125
Energy: 1.6066163216282559
Energy: 1.7160340908703489
Energy: 1.5948349951442304
Energy: 1.6342461935441828
Energy: 1.7316305563378742
Energy: 1.581257710974267
Energy: 1.5948349951454117
Energy: 1.6342461935445767
Energy: 1.7316305563366925
Energy: 1.6144132799796047
Energy: 1.5448174836738848
Energy: 1.6739242279213686
Energy: 1.515201925157952
Energy: 1.614413279979211
Energy: 1.5448174836742787
Energy: 1.6739242279186117
Energy: 1.5846871081273757
Energy: 1.7287079912475571
Energy: 1.613947353733794
Energy: 1.6053285620338211
Energy: 1.5846871081285572
Energy: 1.7287079912491323
Energy: 1.6139473537341877
Energy: 1.583226539780086
Energy: 1.5929088839623031
Energy: 1.7541454207460419
Energy: 1.5518198809143047
Energy: 1.5832265397812675
Energy: 1.5929088839599403
Energy: 1.7541454207441083
Energy: 1.5786024544866653
Energy: 1.5360967016993359
Energy: 1.658737328145068
Energy: 1.6157629550786874
Energy: 1.5786024544866653
Energy: 1.536096701698942
Energy: 1.6235382327678745
Energy: 1.563259964039432
Energy: 1.5663993411102244
Energy: 1.7286716148258519
Energy: 1.7206269366518268
Energy: 1.5632599640390383
Energy: 1.5663993411114057
Energy: 1.7286716148262458

minimum gb energy = 1.4934336349457145 eV
minimum distance =  2.29129892249443 Angstroms
sigma value = 39


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

Energy: 1.4960985946913614
Energy: 1.6044046098311826
Energy: 1.6002317862463553
Energy: 1.6044714364345616
Energy: 1.496098594685319
Energy: 1.6044046098311826
Energy: 1.6002317862514683
Energy: 1.5311122300011346
Energy: 1.6078870119244917
Energy: 1.401155608619585
Energy: 1.6368882759732286
Energy: 1.531112230002064
Energy: 1.6078870119272803
Energy: 1.4011556086158665
Energy: 1.496092199169606
Energy: 1.4995098818880324
Energy: 1.6434225006540595
Energy: 1.8091007552880487
Energy: 1.4960921991733243
Energy: 1.4995098818852435
Energy: 1.6434225006540595
Energy: 1.4927227115082586
Energy: 1.5931460681417926
Energy: 1.398272773737964
Energy: 1.4553008412860082
Energy: 1.4927227115045403
Energy: 1.5931460681422576
Energy: 1.3982727737370346
Energy: 1.6033595948616184
Energy: 1.6202906412926839
Energy: 1.6658203363955113
Energy: 1.7086048845202948
Energy: 1.6033595948592945
Energy: 1.6202906412964022
Energy: 1.665820336393652
Energy: 1.5022716164066465
Energy: 1.5001576134749084
Energy: 1.8611551481091189
Energy: 1.5584564700487917
Energy: 1.5022716164094354
Energy: 1.5001576134758379
Energy: 1.8611551481067947
Energy: 1.7253054275072779
Energy: 1.6648947621732793
Energy: 1.4768466089159917
Energy: 1.882263716458741
Energy: 1.7253054275040243
Energy: 1.664894762176998
Energy: 1.4607518672018616
Energy: 1.9790813851972153
Energy: 1.3635230434191468
Energy: 1.8339146352997495
Energy: 1.4328015323255954
Energy: 1.9790813851981452
Energy: 1.3635230435794639
Energy: 1.8339146353025382
Energy: 1.7253019264538187
Energy: 1.8822490208535976
Energy: 1.4889621654214642
Energy: 1.6646017137773323
Energy: 1.7253019264566076
Energy: 1.882249020854527
Energy: 1.4889621654191405
Energy: 1.5023294512820513
Energy: 1.5584986416175963
Energy: 1.8306091577891463
Energy: 1.4162817213328183
Energy: 1.5023294512815863
Energy: 1.5584986416245683
Energy: 1.8306091577891463
Energy: 1.6029281018419261
Energy: 1.7088862909589126
Energy: 1.9371414550564794
Energy: 1.6329283220569983
Energy: 1.602928101847504
Energy: 1.7088862909528701
Energy: 1.937141455055085
Energy: 1.5020100327298942
Energy: 1.4571155073373407
Energy: 1.400690477774443
Energy: 1.5936237239152122
Energy: 1.5020100327308235
Energy: 1.4571155073405941
Energy: 1.4006904777763023
Energy: 1.4962921338137614
Energy: 1.8053960039609185
Energy: 1.8704889042298964
Energy: 1.4995638396088247
Energy: 1.4962921338132964
Energy: 1.8053960039562706
Energy: 1.786266217149899
Energy: 1.5600669887221923
Energy: 1.6364923948749899
Energy: 1.4002527918797878
Energy: 1.60718227044237
Energy: 1.5600669887203331
Energy: 1.6364923948773138
Energy: 1.4002527918774637
Energy: 1.4960985946913614
Energy: 1.6044046098316476
Energy: 1.643625893867218
Energy: 1.6044714364340968
Energy: 1.4960985946918257
Energy: 1.6044046098311826
Energy: 1.6002317862491442
Energy: 1.531112230002994
Energy: 1.6078870119244917
Energy: 1.4011556086200494
Energy: 1.6368882759714118
Energy: 1.5311122300011346
Energy: 1.6078870119249562
Energy: 1.4011556086144719
Energy: 1.4960921991700704
Energy: 1.4995098818875676
Energy: 1.643422500654524
Energy: 1.8091007552880487
Energy: 1.4960921991737892
Energy: 1.4995098818847785
Energy: 1.643422500654989
Energy: 1.4927227115077941
Energy: 1.5931460681520186
Energy: 1.3982727737384288
Energy: 1.4553008400696446
Energy: 1.4927227115036106
Energy: 1.5931460681483
Energy: 1.3982727737412177
Energy: 1.603359594860224
Energy: 1.6202906412917544
Energy: 1.6658203363778483
Energy: 1.7086048845202948
Energy: 1.603359594860689
Energy: 1.6202906412973321
Energy: 1.6658203363755244
Energy: 1.502271616408971
Energy: 1.5001576134767676
Energy: 1.8611551481072597
Energy: 1.558456470050651
Energy: 1.5022716164094354
Energy: 1.5001576134814156
Energy: 1.8611551481077244
Energy: 1.7253054275072779
Energy: 1.664894762172815
Energy: 1.4607518672013966
Energy: 1.882263716458741
Energy: 1.7253054275040243
Energy: 1.6648947621742092
Energy: 1.4607518672027908
Energy: 1.9790813851986102
Energy: 1.363523042353339
Energy: 1.8339146352974252
Energy: 1.4328015323223415
Energy: 1.9790813851981452
Energy: 1.3635230426140128
Energy: 1.8339146352997495
Energy: 1.7253019264538187
Energy: 1.882249020854527
Energy: 1.48896216542007
Energy: 1.6646017137768676
Energy: 1.7253019264566076
Energy: 1.882249020854062
Energy: 1.4889621654168164
Energy: 1.5023294512839105
Energy: 1.5584986416199202
Energy: 1.8306091577868224
Energy: 1.4162817215725754
Energy: 1.5023294512871639
Energy: 1.5584986416189908
Energy: 1.8306091577882166
Energy: 1.60292810184425
Energy: 1.708886290957983
Energy: 1.9264914075026611
Energy: 1.6329283220583932
Energy: 1.6029281018433208
Energy: 1.7088862909533347
Energy: 1.9371414550560144
Energy: 1.5020100327317532
Energy: 1.4571155073443127
Energy: 1.4006904777730484
Energy: 1.5936237239184663
Energy: 1.5020100327336123
Energy: 1.4571155073424533
Energy: 1.4006904777758373
Energy: 1.496292133814226
Energy: 1.8053960039609185
Energy: 1.7862662171447863
Energy: 1.4995638396088247
Energy: 1.496292133811902
Energy: 1.8053960039576649
Energy: 1.7862662171489694
Energy: 1.5600669887207976
Energy: 1.6364923948749899
Energy: 1.4002527918821117
Energy: 1.6071822704419052
Energy: 1.5600669887212624
Energy: 1.636492394878243
Energy: 1.4002527918769991
Energy: 1.496098594687178
Energy: 1.604404609832577
Energy: 1.60023178624682
Energy: 1.6044714364336323
Energy: 1.4960985946862482
Energy: 1.6044046098302531
Energy: 1.6002317862486792
Energy: 1.5311122300006696
Energy: 1.6078870119286748
Energy: 1.4011556086200494
Energy: 1.6368882759728063
Energy: 1.5311122299988107
Energy: 1.6078870119300694
Energy: 1.4011556086149368

minimum gb energy = 1.363523042353339 eV
minimum distance =  2.33177648665037 Angstroms
sigma value = 21


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

Energy: 1.5539634282900108
Energy: 1.6207151604938124
Energy: 1.5187470287532365
Energy: 1.6196721761972017
Energy: 1.5539634282894466
Energy: 1.6207151604955052
Energy: 1.5187470287543652
Energy: 1.6548164984651281
Energy: 1.5879110636080578
Energy: 1.703502990232246
Energy: 1.5139952747683096
Energy: 1.6548164984645641
Energy: 1.5879110636080578
Energy: 1.703502990229989
Energy: 1.6374675180966478
Energy: 1.488884741038692
Energy: 1.4797362432657546
Energy: 1.5550913202443875
Energy: 1.6374675180960836
Energy: 1.488884741036435
Energy: 1.479736243264626
Energy: 1.5805677419334618
Energy: 1.5519550802218731
Energy: 1.7215252829457917
Energy: 1.4513434250592339
Energy: 1.5805677419357187
Energy: 1.5519550802207445
Energy: 1.7215252829446632
Energy: 1.5186596615055286
Energy: 1.565527546175461
Energy: 1.4887650425496866
Energy: 1.4969207991953923
Energy: 1.5186596615072216
Energy: 1.5655275461760252
Energy: 1.4887650425496866
Energy: 1.5529561016868834
Energy: 1.6635737535343686
Energy: 1.6568704887097612
Energy: 1.5718300443169455
Energy: 1.552956101685755
Energy: 1.66357375353719
Energy: 1.6568704887097612
Energy: 1.7583095971452594
Energy: 1.5739337250166598
Energy: 1.6353679940618147
Energy: 1.4547118310200262
Energy: 1.7583095971475164
Energy: 1.573933725014967
Energy: 1.5767973819541894
Energy: 1.6134118860301883
Energy: 1.6533475295366382
Energy: 1.8102025737406764
Energy: 1.4964065928666022
Energy: 1.6134118860262385
Energy: 1.65334752953551
Energy: 1.8102025737378549
Energy: 1.6335854918459494
Energy: 1.478561729392832
Energy: 1.6273430204153962
Energy: 1.6224592349398732
Energy: 1.6335854918465138
Energy: 1.4785617293922677
Energy: 1.627343020416525
Energy: 1.5948373667913711
Energy: 1.5542358259513238
Energy: 1.603430772738128
Energy: 1.4575573005501943
Energy: 1.5948373667936282
Energy: 1.5542358259501954
Energy: 1.6034307727386923
Energy: 1.7514887209232033
Energy: 1.5543909126700766
Energy: 1.7232434427691472
Energy: 1.4808573629881867
Energy: 1.7514887209237675
Energy: 1.554390912670641
Energy: 1.7232434427691472
Energy: 1.587555167165103
Energy: 1.5970612477306123
Energy: 1.6237371274585752
Energy: 1.4945642768750107
Energy: 1.587555167167924
Energy: 1.5970612477311767
Energy: 1.6237371274568826
Energy: 1.5747221825606013
Energy: 1.51566991616061
Energy: 1.6538571020757953
Energy: 1.5253854437521286
Energy: 1.5747221825656796
Energy: 1.5156699161600458
Energy: 1.6152931072393226
Energy: 1.6121492790838576
Energy: 1.5334843456727403
Energy: 1.681137400059647
Energy: 1.5125140573348794
Energy: 1.6121492790832932
Energy: 1.5334843456744331
Energy: 1.68113740005739
Energy: 1.7428721810494319
Energy: 1.5114812854027069
Energy: 1.6920350010673129
Energy: 1.5345577091342422
Energy: 1.7428721810477392
Energy: 1.5114812854038353
Energy: 1.6920350010661842
Energy: 1.443017276833917
Energy: 1.6082346285779594
Energy: 1.612618367608459
Energy: 1.5721283043209553
Energy: 1.4430172768333527
Energy: 1.6082346285757023
Energy: 1.612618367608459
Energy: 1.7359291653505733
Energy: 1.449534222212253
Energy: 1.8212841473862464
Energy: 1.5864880643072672
Energy: 1.7359291653511375
Energy: 1.449534222212253
Energy: 1.8212841473868109
Energy: 1.4715009984420866
Energy: 1.5071550223924302
Energy: 1.514500969270087
Energy: 1.5093085845985406
Energy: 1.4715009984432148
Energy: 1.507155022394123
Energy: 1.514500969270087
Energy: 1.5531826525085046
Energy: 1.472279052197788
Energy: 1.7203967376340714
Energy: 1.5318933839314808
Energy: 1.5531826525090688
Energy: 1.4722790521983522
Energy: 1.7203967376340714
Energy: 1.452434146698441
Energy: 1.519359811324438
Energy: 1.6732565276729763
Energy: 1.5288192083759193
Energy: 1.4524341466990052
Energy: 1.5193598113227451
Energy: 1.6732565276712836
Energy: 1.6504835120271177
Energy: 1.5138225109568058
Energy: 1.6903764059834387
Energy: 1.4730984986055995
Energy: 1.6504835120271177
Energy: 1.513822510955677
Energy: 1.6903764059828745
Energy: 1.4709185385568235
Energy: 1.58407138471964
Energy: 1.5144421582967518
Energy: 1.5090471719159733
Energy: 1.4709185385590806
Energy: 1.5840713847213326
Energy: 1.5144421582967518
Energy: 1.7359340369504541
Energy: 1.5035103697556362
Energy: 1.729875949394029
Energy: 1.418853508676927
Energy: 1.7359340369487612
Energy: 1.5035103697595862
Energy: 1.729875949394029
Energy: 1.4417662557579243
Energy: 1.572177978975787
Energy: 1.605425950621943
Energy: 1.6254297494569938
Energy: 1.4417662557584887
Energy: 1.5721779789752228
Energy: 1.6054259506258672
Energy: 1.7308954955671483
Energy: 1.5309754269256437
Energy: 1.661579667988462
Energy: 1.511475195430226
Energy: 1.7308954955654554
Energy: 1.530975426927901
Energy: 1.6615796679895902

minimum gb energy = 1.418853508676927 eV
minimum distance =  2.25938818890507 Angstroms
sigma value = 113


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

Energy: 1.5387128641504253
Energy: 1.547067728957691
Energy: 1.7176851265647306
Energy: 1.540975100183389
Energy: 1.5387128641504253
Energy: 1.547067728957691
Energy: 1.7176851265615816
Energy: 1.5970539358961087
Energy: 1.514492969711345
Energy: 1.631685060811535
Energy: 1.5460744486755633
Energy: 1.597053935902407
Energy: 1.514492969711345
Energy: 1.6316850608178333
Energy: 1.5776260249866019
Energy: 1.4493015754177372
Energy: 1.706862492900061
Energy: 1.4891729646009642
Energy: 1.5776260249929002
Energy: 1.4493015754240355
Energy: 1.7068624929063592
Energy: 1.4411231050643571
Energy: 1.5403508939230177
Energy: 1.7537884530479124
Energy: 1.520121193449945
Energy: 1.4411231050738045
Energy: 1.5403508939135706
Energy: 1.7537884530510617
Energy: 1.575468515394533
Energy: 1.3982088126886878
Energy: 1.6010326471924434
Energy: 1.3495295911755933
Energy: 1.5754685153819366
Energy: 1.3982088126886878
Energy: 1.601032647182996
Energy: 1.4172758492284239
Energy: 1.4297789777099834
Energy: 1.7711963935002482
Energy: 1.4227681384164483
Energy: 1.4172758492252746
Energy: 1.4297789777131327
Energy: 1.7711963935002482
Energy: 1.6668427018073833
Energy: 1.3936568112845136
Energy: 1.6058897066424023
Energy: 1.364339390161831
Energy: 1.6668427018073833
Energy: 1.3936568112813645
Energy: 1.605889706632955
Energy: 1.4020112702656087
Energy: 1.4964487455259008
Energy: 1.721848251532855
Energy: 1.4094979716362546
Energy: 1.402011270268758
Energy: 1.4964487455259008
Energy: 1.7218482515265567
Energy: 1.6108651613761016
Energy: 1.3737195335551577
Energy: 1.6405786067291694
Energy: 1.3702578341534495
Energy: 1.6108651613729523
Energy: 1.3737195335520085
Energy: 1.670212755095335
Energy: 1.5164182162771551
Energy: 1.480624002813955
Energy: 1.7121873073304628
Energy: 1.4555388564024212
Energy: 1.5164182162803044
Energy: 1.480624002813955
Energy: 1.7121873073336118
Energy: 1.51628789540732
Energy: 1.525006437140524
Energy: 1.7630440605512658
Energy: 1.3416744964933847
Energy: 1.5162878945699985
Energy: 1.525006437137375
Energy: 1.7630440605512658
Energy: 1.5122617674238192
Energy: 1.3941646349160413
Energy: 1.876508041189863
Energy: 1.4234753421132806
Energy: 1.51226176742067
Energy: 1.3941646349223396
Energy: 1.876508041189863
Energy: 1.6152670063163561
Energy: 1.406983425304752
Energy: 1.658448666044431
Energy: 1.3859483027242963
Energy: 1.6152670063226544
Energy: 1.406983425304752
Energy: 1.7401697799744171
Energy: 1.6625324169790525
Energy: 1.5760938436407146
Energy: 1.882434213125693
Energy: 1.464677681047602
Energy: 1.6625324169759035
Energy: 1.5760938436344165
Energy: 1.882434213128842
Energy: 1.618894735707028
Energy: 1.451737640389838
Energy: 1.93774553016632
Energy: 1.5072718495068358
Energy: 1.6188947357038788
Energy: 1.451737640386689
Energy: 1.9377455301757673
Energy: 1.6585589867727115
Energy: 1.3877704036907323
Energy: 1.7865009909551726
Energy: 1.4218198146870389
Energy: 1.658558986766413
Energy: 1.3877704036686884
Energy: 1.7865009909551726
Energy: 1.6224788586931884
Energy: 1.4131893988028756
Energy: 1.8790599167937678
Energy: 1.418644020744821
Energy: 1.6224788586868901
Energy: 1.4131893988091737
Energy: 1.8790599167906188
Energy: 1.5193882196531594
Energy: 1.4282822455884865
Energy: 1.7638211172606804
Energy: 1.4781555225182965
Energy: 1.5193882196563087
Energy: 1.4282822456388724
Energy: 1.7638211172575313
Energy: 1.5765117222929825
Energy: 1.449148292163402
Energy: 1.700608291572187
Energy: 1.427503404814393
Energy: 1.5765117222961316
Energy: 1.449148292163402
Energy: 1.8119401404438384
Energy: 1.4927270917899702
Energy: 1.472772431736244
Energy: 1.6991405552455705
Energy: 1.384562368342999
Energy: 1.492727091786821
Energy: 1.4727724317456916
Energy: 1.6991405552518688
Energy: 1.5598492525468837
Energy: 1.4044953307658063
Energy: 1.704062876227489
Energy: 1.4811194806861807
Energy: 1.5598492525374363
Energy: 1.404495330775254
Energy: 1.7040628762400858
Energy: 1.5178110544951617
Energy: 1.4022097666809812
Energy: 1.6302021134572893
Energy: 1.4230499959778662
Energy: 1.5178110544983108
Energy: 1.4022097666809812
Energy: 1.630202113450991
Energy: 1.5424040904141574
Energy: 1.4449958194277217
Energy: 1.7671996401807206
Energy: 1.565032531947586
Energy: 1.5424040904173064
Energy: 1.4449958194277217
Energy: 1.7671996401807206
Energy: 1.4540222547857287
Energy: 1.3832830542088748
Energy: 1.6498704784866542
Energy: 1.3735247701148061
Energy: 1.454022254795176
Energy: 1.3832830542025765
Energy: 1.6498704784898033
Energy: 1.5425058144685853
Energy: 1.4603798681389282
Energy: 1.7315755727369204
Energy: 1.6345848020749072
Energy: 1.5425058144591377
Energy: 1.460379868135779
Energy: 1.73157557274007
Energy: 1.4929827820246462
Energy: 1.537347085335502
Energy: 1.7399891817820134
Energy: 1.4570600347182932
Energy: 1.4929827820246462
Energy: 1.5373470853386513
Energy: 1.7399891817820134
Energy: 1.6903015117114126
Energy: 1.4878244803581842
Energy: 1.6300693231986083
Energy: 1.5778041297853513
Energy: 1.6903015117051143
Energy: 1.4878244803613334
Energy: 1.6300693232017576
Energy: 1.4207963913917714
Energy: 1.6403857284768772
Energy: 1.7812948904741455
Energy: 1.6445538888458124
Energy: 1.4207963914043678
Energy: 1.640385728470579
Energy: 1.7812948904646981
Energy: 1.6142948934788293
Energy: 1.4651325417787804
Energy: 1.7069236186775147
Energy: 1.6189238551696508
Energy: 1.6142948934788293
Energy: 1.4651325417819294
Energy: 1.7353967218472581
Energy: 1.508737586965221
Energy: 1.4872221250856688
Energy: 1.6954041951528596
Energy: 1.5678746273949524
Energy: 1.5087375869589223
Energy: 1.4872221250825197
Energy: 1.6954041951528596
Energy: 1.5561988553635437
Energy: 1.4518912710328535
Energy: 1.803444014502303
Energy: 1.5243000189980345
Energy: 1.5561988553603947
Energy: 1.4518912710391516
Energy: 1.803444014499154
Energy: 1.4924979429061824
Energy: 1.4062003267679382
Energy: 1.599112641910176
Energy: 1.4452443682170273
Energy: 1.492497942896735
Energy: 1.4062003267742365
Energy: 1.5991126419164743
Energy: 1.5552353398170968
Energy: 1.381899865082914
Energy: 1.728473607606822
Energy: 1.500354229182987
Energy: 1.5552353398202459
Energy: 1.3818998650734664
Energy: 1.7284736076099712
Energy: 1.5000646303025968
Energy: 1.3422219535910027
Energy: 1.4811629935718587
Energy: 1.3815695273389152
Energy: 1.5000646302994478
Energy: 1.342221953587854
Energy: 1.4811629934270563
Energy: 1.52798431491796
Energy: 1.3477850003834608
Energy: 1.62355314414152
Energy: 1.4575147131085124
Energy: 1.527984314921109
Energy: 1.3477850003866099
Energy: 1.6235531441446691
Energy: 1.500261702409529
Energy: 1.390577218788639
Energy: 1.606958121070735
Energy: 1.3629482703406386
Energy: 1.50026170240638
Energy: 1.39057721878549
Energy: 1.6069581210612878
Energy: 1.5615462360067258
Energy: 1.3806004868679498
Energy: 1.6492973494756533
Energy: 1.4937964537576498
Energy: 1.5615462360035768
Energy: 1.3806004868616515
Energy: 1.6492973494788024
Energy: 1.5557405724723434
Energy: 1.4573449759872759
Energy: 1.6439118391579224
Energy: 1.362171632447792
Energy: 1.5557405724723434
Energy: 1.4573449759809776
Energy: 1.6439118391610714
Energy: 1.5619982732618614
Energy: 1.4674754565465316
Energy: 1.8424259301779053
Energy: 1.4527538908631288
Energy: 1.5619982732650104
Energy: 1.4674754565465316
Energy: 1.8424259301779053
Energy: 1.4797932803590204
Energy: 1.4755747885708272
Energy: 1.6571372224281564
Energy: 1.404027974189006
Energy: 1.4797932803621696
Energy: 1.4755747885708272
Energy: 1.657137222431306
Energy: 1.616816779033178
Energy: 1.5018414417411468
Energy: 1.846260141040339
Energy: 1.4539174532877892
Energy: 1.616816779036327
Energy: 1.5018414417411468
Energy: 1.8462601410371897
Energy: 1.5206521152491153
Energy: 1.4702280769943483
Energy: 1.7604996773414605
Energy: 1.517908170017296
Energy: 1.520652115236576
Energy: 1.470228076991199
Energy: 1.7604996773508503
Energy: 1.5751250044505896
Energy: 1.474653559118002
Energy: 1.8362915414231724
Energy: 1.502088930517045
Energy: 1.5751250044568306
Energy: 1.474653559108555
Energy: 1.8362915414168741
Energy: 1.5608958784698646
Energy: 1.418406289055895
Energy: 1.8188052322588684
Energy: 1.4536945460614712
Energy: 1.5608958784761628
Energy: 1.418406289055895
Energy: 1.8188052322620174
Energy: 1.4278503122234478
Energy: 1.483377643088314
Energy: 1.7912061523268685
Energy: 1.5287059586839533
Energy: 1.4278503122234478
Energy: 1.483377643088314
Energy: 1.7912061523237195

minimum gb energy = 1.3416744964933847 eV
minimum distance =  2.26645124470405 Angstroms
sigma value = 365


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

Energy: 1.9265367589120486
Energy: 1.5859948540360853
Energy: 1.5269830575582972
Energy: 1.5859948540360853
Energy: 1.9265367589099187
Energy: 1.585994854033245
Energy: 1.6053055552361906
Energy: 1.9265367589134688
Energy: 1.585994854033955
Energy: 1.4994754164684074
Energy: 1.585994854033245
Energy: 1.9265367589099187
Energy: 1.5859948540346651
Energy: 1.6053055552333504
Energy: 1.9265367589106288
Energy: 1.585994854033245
Energy: 1.3522638268083806
Energy: 1.5859948540360853
Energy: 1.9265367589134688
Energy: 1.5859948540360853
Energy: 1.6053055552361906
Energy: 1.9265367589127589
Energy: 1.585994854035375
Energy: 1.302859835858713
Energy: 1.585994854035375
Energy: 1.9265367589092086
Energy: 1.585994854033245
Energy: 1.6053055552361906
Energy: 1.9265367589134688
Energy: 1.585994854035375
Energy: 1.4994803703767117
Energy: 1.585994854032535
Energy: 1.9265367589099187
Energy: 1.585994854035375
Energy: 1.6053055552347704
Energy: 1.9265367589106288
Energy: 1.585994854033955
Energy: 1.6154420118173733
Energy: 1.5859948540346651
Energy: 1.9265367589134688
Energy: 1.5859948540360853
Energy: 1.6053055552354805
Energy: 1.9265367589127589
Energy: 1.585994854036795
Energy: 1.2892312616565402
Energy: 1.5859948540360853
Energy: 1.9265367589106288
Energy: 1.585994854033245
Energy: 1.6053055552361906
Energy: 1.9265367589134688
Energy: 1.585994854035375
Energy: 1.321505188931758
Energy: 1.585994854033245
Energy: 1.9265367589099187
Energy: 1.5859948540346651
Energy: 1.6053055552340603
Energy: 1.9265367589099187
Energy: 1.585994854033245
Energy: 1.3216740855295646
Energy: 1.5859948540346651
Energy: 1.9265367589141786
Energy: 1.585994854036795
Energy: 1.6053055552369004
Energy: 1.9265367589120486
Energy: 1.5859948540360853
Energy: 1.6053055552354805
Energy: 1.5859948540360853
Energy: 1.9265367589099187
Energy: 1.585994854032535
Energy: 1.6053055552361906
Energy: 1.9265367589134688
Energy: 1.5859948540346651
Energy: 1.321670575166687
Energy: 1.585994854032535
Energy: 1.9265367589099187
Energy: 1.585994854033955
Energy: 1.6053055552340603
Energy: 1.9265367589099187
Energy: 1.585994854032535
Energy: 1.6053055552340603
Energy: 1.5859948540346651
Energy: 1.9265367589141786
Energy: 1.585994854036795
Energy: 1.6053055552347704
Energy: 1.9265367589120486
Energy: 1.585994854036795
Energy: 1.6053055552361906
Energy: 1.585994854036795
Energy: 1.9265367589106288
Energy: 1.585994854032535
Energy: 1.6053055552347704
Energy: 1.9265367589134688
Energy: 1.5859948540346651
Energy: 1.6053055552347704
Energy: 1.585994854033245
Energy: 1.9265367589106288
Energy: 1.5859948540346651
Energy: 1.6053055552347704
Energy: 1.9265367589099187
Energy: 1.585994854033245
Energy: 1.6053055552340603
Energy: 1.5859948540346651
Energy: 1.9265367589134688
Energy: 1.5859948540360853
Energy: 1.6053055552361906
Energy: 1.9265367589120486
Energy: 1.585994854036795
Energy: 1.6053055552361906
Energy: 1.5859948540360853
Energy: 1.9265367589106288
Energy: 1.585994854032535
Energy: 1.6053055552354805
Energy: 1.9265367589134688
Energy: 1.5859948540346651
Energy: 1.6053055552361906
Energy: 1.585994854032535
Energy: 1.9265367589099187
Energy: 1.5859948540346651
Energy: 1.6053055552347704
Energy: 1.9265367589099187
Energy: 1.585994854033955
Energy: 1.6053055552347704
Energy: 1.5859948540346651
Energy: 1.9265367589134688
Energy: 1.585994854035375
Energy: 1.6053055552354805
Energy: 1.9265367589120486
Energy: 1.585994854036795
Energy: 1.6053055552354805
Energy: 1.585994854036795
Energy: 1.9265367589099187
Energy: 1.585994854033245
Energy: 1.6053055552354805
Energy: 1.9265367589134688
Energy: 1.5859948540346651
Energy: 1.6053055552347704
Energy: 1.585994854033955
Energy: 1.9265367589099187
Energy: 1.585994854033955
Energy: 1.6053055552347704

minimum gb energy = 1.2892312616565402 eV
minimum distance =  2.30441939097577 Angstroms
sigma value = 23