Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.070949114859104
cohesive_energy=3.369388139873114
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.011623489876813333
Energy: 0.2576305242172839
Energy: 0.2576305242172839
Energy: 0.011623489876813333
Energy: 0.2576305242172839
Energy: 0.2576305242172839
Energy: 0.011623489876813333
Energy: 0.2576305242172839
Energy: 0.2576305242172839
Energy: 0.011623489877953178
Energy: 0.9353016889214812
Energy: 0.01328628030099141
Energy: 0.6138002791187266
Energy: 0.935301688922621
Energy: 0.013286280302131253
Energy: 0.6138002791187266
Energy: 0.9353016889214812
Energy: 0.01328628030099141
Energy: 0.6138002791187266
Energy: 0.935301688922621
Energy: 0.7026794839430515
Energy: 0.09506943709448361
Energy: 0.40131554708148615
Energy: 0.43019134485956323
Energy: 0.18426042657372368
Energy: 0.18426042657372368
Energy: 0.4301917105720452
Energy: 0.2637495945670184
Energy: 0.18426042657372368
Energy: 0.4301933744769724
Energy: 0.935301688922621
Energy: 0.6138002791187266
Energy: 0.01328628030099141
Energy: 0.9353016889214812
Energy: 0.6138002791187266
Energy: 0.01328628030099141
Energy: 0.935301688922621
Energy: 0.6138002791187266
Energy: 0.01328628030099141
Energy: 0.9353016889214812
Energy: 0.011623489877953178
Energy: 0.25763052421842375
Energy: 0.25763052421842375
Energy: 0.011623489877953178
Energy: 0.25763052421842375
Energy: 0.2576305242172839
Energy: 0.011623489877953178
Energy: 0.25763052421842375
Energy: 0.2576305242172839
Energy: 0.011623489877953178
Energy: 0.935301688922621
Energy: 0.01328628030099141
Energy: 0.6138002791187266
Energy: 0.9353016889214812
Energy: 0.01328628030099141
Energy: 0.6138002791187266
Energy: 0.935301688922621
Energy: 0.01328628030099141
Energy: 0.6138002791175867
Energy: 0.9353016889214812
Energy: 0.43018683635409316
Energy: 0.01451552189506862
Energy: 0.5138952788239352
Energy: 0.4301874703449078
Energy: 0.01451552189506862
Energy: 0.5138952788364733
Energy: 0.430189736091886
Energy: 0.01451552189506862
Energy: 0.4950112490286902
Energy: 0.4301823664961986

minimum gb energy = 0.011623489876813333 eV
minimum distance =  2.61035168526173 Angstroms
sigma value = 3


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

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Energy: 0.7109481802427695
Energy: 0.7087952975123589
Energy: 0.5935462132327948
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Energy: 0.7697046577548282
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Energy: 0.7890078554943717
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Energy: 0.7087952975129173
Energy: 0.6192062292882453
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Energy: 0.5935462132333531
Energy: 0.7109481802525417
Energy: 0.7087952975120797
Energy: 0.6192062292885245
Energy: 0.7697046577553867
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Energy: 0.7890078554935341
Energy: 0.7697046577565034
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Energy: 0.7890078554949301
Energy: 0.7697046577553867
Energy: 0.5740186592388987
Energy: 0.7890078554954886
Energy: 0.7697046577542699
Energy: 0.7253045676049519
Energy: 0.6905805506901488
Energy: 0.6906795549303784
Energy: 0.7590019015166855
Energy: 0.6905805506907072
Energy: 0.6906795550074134
Energy: 0.7253045678982686
Energy: 0.6905805506909864
Energy: 0.6906795548274027
Energy: 0.7590019015172439
Energy: 0.6631636835862558
Energy: 0.7130529452187624
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Energy: 0.6060331335768321
Energy: 0.6631636835843014
Energy: 0.7130529452201584
Energy: 0.6060331335773905
Energy: 0.6631636835854181

minimum gb energy = 0.571704043398027 eV
minimum distance =  2.49626613587067 Angstroms
sigma value = 75


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

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Energy: 0.5867441780698495
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Energy: 0.6354897915225994
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minimum gb energy = 0.5426400040067798 eV
minimum distance =  2.48649859639741 Angstroms
sigma value = 105


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

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Energy: 0.6338605097701572
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Energy: 0.7331294886361868
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Energy: 0.7339833469284508
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Energy: 0.6866630594754483
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Energy: 0.7257397348597511
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Energy: 0.6858898332656405
Energy: 0.7257397348575994
Energy: 0.6647539908587597
Energy: 0.7206236325753009
Energy: 0.7054313580790114
Energy: 0.6647539908588993
Energy: 0.7206236325795766
Energy: 0.7054313602156784
Energy: 0.6647539908599892
Energy: 0.7206236325700752
Energy: 0.7054313601012161
Energy: 0.6647539908595141
Energy: 0.6713137318137394
Energy: 0.6994273158798823
Energy: 0.6803147679919505
Energy: 0.6713137318045176
Energy: 0.7006871470834646
Energy: 0.6803147679699578
Energy: 0.6713137317999346
Energy: 0.6994273158797146
Energy: 0.680314767975966
Energy: 0.671313731796693
Energy: 0.7511492003057687
Energy: 0.6929786981943951
Energy: 0.7206253833559071
Energy: 0.7511492003046789
Energy: 0.6934896401747249
Energy: 0.7206253832115158
Energy: 0.7511492003051539
Energy: 0.6929786981940877
Energy: 0.7206253834708444
Energy: 0.7511492003059085
Energy: 0.7119419600023569
Energy: 0.6823533772144986
Energy: 0.6586859329109926
Energy: 0.7119419600018818
Energy: 0.6823533772131292
Energy: 0.6586859329120826
Energy: 0.7119419600035864
Energy: 0.6823533772151135
Energy: 0.6586859329114678
Energy: 0.711941960002804
Energy: 0.6653206865138741
Energy: 0.7832503817785978
Energy: 0.713275190324128
Energy: 0.6653206865140417
Energy: 0.7833036459662107
Energy: 0.713275190323206
Energy: 0.6653206865146565
Energy: 0.7832503817781507
Energy: 0.713275190323206
Energy: 0.6653206865149639
Energy: 0.7493198443541296
Energy: 0.7472434180871599
Energy: 0.7363271260206266
Energy: 0.7493198443511954
Energy: 0.7476594375699106
Energy: 0.7363271260217165
Energy: 0.7493198443562533
Energy: 0.7472434180840859
Energy: 0.7363271260218561
Energy: 0.7493198443516704
Energy: 0.7094671961669834
Energy: 0.6418237695258227
Energy: 0.7089928945978555
Energy: 0.7094671961696103
Energy: 0.6420137928723644
Energy: 0.7089928945977159
Energy: 0.7094671961669834
Energy: 0.6418237695253755
Energy: 0.7089928945987778
Energy: 0.7094671961693029

minimum gb energy = 0.6332144178852656 eV
minimum distance =  2.48516878189709 Angstroms
sigma value = 165


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

Energy: 0.6396897186820226
Energy: 0.7745015416377485
Energy: 0.7676480632959388
Energy: 0.639689718683078
Energy: 0.7745015416372208
Energy: 0.7676480632964665
Energy: 0.6396897186825502
Energy: 0.7745015416382762
Energy: 0.7676480633186037
Energy: 0.639689718683078
Energy: 0.7099069445399725
Energy: 0.7387128701565856
Energy: 0.7497061646858932
Energy: 0.7099069445431385
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Energy: 0.7387128701565856
Energy: 0.7497061647196386
Energy: 0.7099069445652756
Energy: 0.7080373048422256
Energy: 0.6780856092089361
Energy: 0.6165331796962953
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Energy: 0.6779960942820202
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Energy: 0.6780899298360253
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Energy: 0.708037304841698
Energy: 0.723645170632318
Energy: 0.7684759009704848
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Energy: 0.7236451705141733
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Energy: 0.6694852981103716
Energy: 0.6599783728308772
Energy: 0.7837578433672034
Energy: 0.7919277722150282
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Energy: 0.7837578433677311
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Energy: 0.714933226246871
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Energy: 0.6998907281295236
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Energy: 0.7785350819318632
Energy: 0.6931649871207074
Energy: 0.7302463977650075
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Energy: 0.6931649871207074
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Energy: 0.6572981379103587
Energy: 0.7906125384036476
Energy: 0.783445841449253
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Energy: 0.7906125383725405
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Energy: 0.6572981379103587
Energy: 0.7906125383234693
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Energy: 0.6572981379119417
Energy: 0.6680189105211105
Energy: 0.6692291808419357
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Energy: 0.6680189105200551
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Energy: 0.6651858961394512
Energy: 0.6680189105205829
Energy: 0.669229180841408
Energy: 0.6651858961399789
Energy: 0.6680189105205829
Energy: 0.7237343684752134
Energy: 0.6545463171867468
Energy: 0.7681244801969523
Energy: 0.7237343684741581
Energy: 0.6545463171872744
Energy: 0.7681244801964247
Energy: 0.7237343684746858
Energy: 0.6545463171862191
Energy: 0.7681244801974799
Energy: 0.7237343684752134
Energy: 0.7068231804406707
Energy: 0.6412529838831884
Energy: 0.7063967279941655
Energy: 0.7068231804406707
Energy: 0.6412529838842197
Energy: 0.7063967279941655
Energy: 0.7068231804401431
Energy: 0.6412529838836921
Energy: 0.7063967279936378
Energy: 0.7068231804406707
Energy: 0.7186378527859161
Energy: 0.7538007067415915
Energy: 0.7402700310597086
Energy: 0.7186378527848608
Energy: 0.7538007067415915
Energy: 0.7402700310597086
Energy: 0.7186378527859161
Energy: 0.7538007067426468
Energy: 0.7402700310597086
Energy: 0.7186378527848608
Energy: 0.639689718683078
Energy: 0.7745015416377485
Energy: 0.7676480633259907
Energy: 0.6396897186836056
Energy: 0.7745015416366933
Energy: 0.767648063344986
Energy: 0.639689718683078
Energy: 0.7745015416377485
Energy: 0.7676480633597601
Energy: 0.639689718683078

minimum gb energy = 0.6165331796962953 eV
minimum distance =  2.59387379114642 Angstroms
sigma value = 41


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

Energy: 0.6818887485114182
Energy: 0.6696327026862482
Energy: 0.6895251240562229
Energy: 0.65459330494436
Energy: 0.669632702683196
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Energy: 0.6425008321445593
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Energy: 0.6313977836316154
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Energy: 0.6321084424048041
Energy: 0.6067952259668801
Energy: 0.5985594863838916
Energy: 0.6165640891648003
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Energy: 0.6738642753504743
Energy: 0.6626838853042644
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Energy: 0.6411448465283711
Energy: 0.7437576622574141
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Energy: 0.7437576622588659
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Energy: 0.64114484652919
Energy: 0.6793007411017331
Energy: 0.6612166449025964
Energy: 0.6955907442818245
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Energy: 0.6612166449030058
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Energy: 0.6625056957753316
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Energy: 0.6903662424379718
Energy: 0.6687616160690603
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Energy: 0.6663284454054442
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Energy: 0.6836697446582575
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Energy: 0.7072285493242919
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Energy: 0.632610830835936
Energy: 0.683669744741747
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Energy: 0.6326108308369783
Energy: 0.5990386960738134
Energy: 0.612604276382003
Energy: 0.6072031802390733
Energy: 0.5990386960748184
Energy: 0.6101294172912158
Energy: 0.6055542779718768
Energy: 0.5990386960746323
Energy: 0.6126042852245662
Energy: 0.6072031802376217
Energy: 0.5990386960752279
Energy: 0.6238568774808788
Energy: 0.619685290696876
Energy: 0.5967148640189753
Energy: 0.62385687627845
Energy: 0.6198704563408134
Energy: 0.5967148640206131
Energy: 0.6238568763652153
Energy: 0.6196852906956477
Energy: 0.5967148640197942
Energy: 0.6238568767812487
Energy: 0.6912102177445676
Energy: 0.6009011096408237
Energy: 0.6959125821805414
Energy: 0.691210217744791
Energy: 0.6028373727023393
Energy: 0.6959125806496632
Energy: 0.6912102177462054
Energy: 0.6009011096402281
Energy: 0.6959125807927085
Energy: 0.6912102177441581
Energy: 0.7303947101771573
Energy: 0.6592108684808667
Energy: 0.592362802414435
Energy: 0.7303947101736956
Energy: 0.6592108684806434
Energy: 0.592362802414435
Energy: 0.7303947101706062
Energy: 0.6592108684814623
Energy: 0.5923628024119783
Energy: 0.7303947101624545

minimum gb energy = 0.576253052249517 eV
minimum distance =  2.50392810432539 Angstroms
sigma value = 185


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

Energy: 0.4926839111748227
Energy: 0.4075041956092967
Energy: 0.4072124543820921
Energy: 0.3677211018631932
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Energy: 0.35720425888811996
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Energy: 0.3813391286374293
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Energy: 0.42317934132890167
Energy: 0.40396814879800097
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Energy: 0.41496734421675174
Energy: 0.40623561401142866
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Energy: 0.42317934132817264
Energy: 0.4039681487945987
Energy: 0.40822301771500974
Energy: 0.4149673442155366
Energy: 0.38094554504879685
Energy: 0.3776431227974978
Energy: 0.40042037983248824
Energy: 0.3616569979728924
Energy: 0.3630389211246519
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Energy: 0.38094554504879685
Energy: 0.3776431227974978
Energy: 0.40042037983343814
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Energy: 0.41821728902339084
Energy: 0.41374933887953375
Energy: 0.489761073136845
Energy: 0.41821728902387695
Energy: 0.4041981382479555

minimum gb energy = 0.35720425888739094 eV
minimum distance =  2.62346281672437 Angstroms
sigma value = 33


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

Energy: 0.5899472106885771
Energy: 0.6420250963295391
Energy: 0.6331385311369805
Energy: 0.5807559889747463
Energy: 0.642025096328205
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Energy: 0.6176278152817661
Energy: 0.6292288124767597
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minimum gb energy = 0.5408709969128482 eV
minimum distance =  2.48578618301894 Angstroms
sigma value = 219


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

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Energy: 0.7160018384330177
Energy: 0.6573896172126413

minimum gb energy = 0.6064323752603519 eV
minimum distance =  2.58369471278769 Angstroms
sigma value = 15


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

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minimum gb energy = 0.6493024601734094 eV
minimum distance =  2.48563679065898 Angstroms
sigma value = 293


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

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Energy: 0.7399677880771484
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Energy: 0.7399677880771484
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Energy: 0.7343399498596607
Energy: 0.6976589279615063
Energy: 0.6695243604325998
Energy: 0.7343399498578659
Energy: 0.6976589279579166
Energy: 0.6695243604316027
Energy: 0.7343399498574671
Energy: 0.6976589279589137
Energy: 0.669524360432201
Energy: 0.7343399498586636
Energy: 0.702439663904816
Energy: 0.7884751217102025
Energy: 0.6499911124326385
Energy: 0.7024396639056139
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Energy: 0.6499911124326385
Energy: 0.7024396639058132
Energy: 0.7884751217108008
Energy: 0.6499911124326385
Energy: 0.7024396639054145
Energy: 0.6543159320661899
Energy: 0.6458879003726681
Energy: 0.6530626885919499
Energy: 0.6543159320659905
Energy: 0.6458878992244492
Energy: 0.6530626885443039
Energy: 0.6543159320657911
Energy: 0.6458878992854391
Energy: 0.6530626886914119
Energy: 0.6543159320657911
Energy: 0.6739615807071647
Energy: 0.7209586880036586
Energy: 0.6636492465606912
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Energy: 0.7209586878274334
Energy: 0.6636492465618877
Energy: 0.6739615799685966
Energy: 0.7209586877383237
Energy: 0.6636492465608906
Energy: 0.6739615757764158
Energy: 0.6623780453654209
Energy: 0.7709182925275909
Energy: 0.7661658210026798
Energy: 0.6623780453656204
Energy: 0.7709182925273915
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Energy: 0.6623780453654209
Energy: 0.7709182925275909
Energy: 0.7661658209865259
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Energy: 0.6757057088218184
Energy: 0.6634532483918674
Energy: 0.7236120399343219
Energy: 0.6757057088212202
Energy: 0.6634532483926652
Energy: 0.7236120574787079
Energy: 0.6757057088214196
Energy: 0.6634532483918674
Energy: 0.7236120846118963
Energy: 0.6757057088220179
Energy: 0.6434683598097382
Energy: 0.6545919257232969
Energy: 0.6694878594074415
Energy: 0.6434683598093393
Energy: 0.6545919257234963
Energy: 0.6694878594056467
Energy: 0.643468359810137
Energy: 0.6545919257234963
Energy: 0.6694878593725592
Energy: 0.6434683598089403
Energy: 0.6991121433661016
Energy: 0.6534169451523691
Energy: 0.7891966671905799
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Energy: 0.6534169451521697
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Energy: 0.6991121433659021
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Energy: 0.789196667190181
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Energy: 0.6627494652960564
Energy: 0.6985436910122387
Energy: 0.7345405013109161
Energy: 0.662749465295857
Energy: 0.6985436910176235
Energy: 0.7345405013111155
Energy: 0.662749465295857
Energy: 0.6985436910090478
Energy: 0.7345405013105173
Energy: 0.6623598894390292
Energy: 0.6742834398675247
Energy: 0.7625958310111839
Energy: 0.6623597856203151
Energy: 0.6742834397891843
Energy: 0.7625958310115828
Energy: 0.6623615569372401
Energy: 0.6742834399562354
Energy: 0.7625958310113834
Energy: 0.6623601207986752
Energy: 0.6641590458126553
Energy: 0.7087936934272885
Energy: 0.672721318957176
Energy: 0.6641590458130542
Energy: 0.7087936934272885
Energy: 0.6727213200982153
Energy: 0.6641590458126553
Energy: 0.7087936934272885
Energy: 0.6727213186599684
Energy: 0.6641590458118576
Energy: 0.7321554761124291
Energy: 0.6568931989358923
Energy: 0.6590032586201279
Energy: 0.7321554761122298
Energy: 0.6568931989494537
Energy: 0.6590032586209257
Energy: 0.7321554761124291
Energy: 0.6568931987742257
Energy: 0.6590032586205268
Energy: 0.7321554761124291
Energy: 0.6672913811339726
Energy: 0.669348480946589
Energy: 0.6883930570267868
Energy: 0.6672913811331749
Energy: 0.6693484809362186
Energy: 0.6883930570526947
Energy: 0.6672913811331749
Energy: 0.6693484810017952
Energy: 0.688393063253062
Energy: 0.6672913811321777
Energy: 0.6686687341565536
Energy: 0.7399677880769489
Energy: 0.6879417371826746
Energy: 0.6686687341649298
Energy: 0.7399677880767495
Energy: 0.6879417371826746
Energy: 0.6686687341693173
Energy: 0.7399677880769489
Energy: 0.6879417371836717
Energy: 0.6686687341589468
Energy: 0.7343399498580654
Energy: 0.6976589279619052
Energy: 0.669524360432201
Energy: 0.7343399498584642
Energy: 0.6976589279638996
Energy: 0.6695243604318021
Energy: 0.7343399498582647
Energy: 0.6976589279656944
Energy: 0.6695243604327993
Energy: 0.7343399498584642
Energy: 0.702439663904816
Energy: 0.7884751217108008
Energy: 0.6499911124324391
Energy: 0.7024396639046167
Energy: 0.7884751217106013
Energy: 0.6499911124326385
Energy: 0.702439663903819
Energy: 0.7884751217108008
Energy: 0.6499911124326385
Energy: 0.7024396639046167

minimum gb energy = 0.6434683598089403 eV
minimum distance =  2.53504546596485 Angstroms
sigma value = 293


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

Energy: 0.796618592917937
Energy: 0.7059925540078547
Energy: 0.7084589816151281
Energy: 0.796618592917937
Energy: 0.7059925540071338
Energy: 0.7084589816144072
Energy: 0.7966185929182975
Energy: 0.7059925540074943
Energy: 0.7084589816133259
Energy: 0.796618592917937
Energy: 0.6783924918211658
Energy: 0.7062092984050444
Energy: 0.6415617444620461
Energy: 0.6783924927399069
Energy: 0.7062092984050444
Energy: 0.6415617445272551
Energy: 0.6783924911484982
Energy: 0.7062092984050444
Energy: 0.6415617445164414
Energy: 0.6783924929953522
Energy: 0.7064066709140212
Energy: 0.7316620074998509
Energy: 0.7480368360383371
Energy: 0.7064066708761902
Energy: 0.7316620074998509
Energy: 0.7480368360383371
Energy: 0.7064066708949173
Energy: 0.7316620075002113
Energy: 0.7480368360383371
Energy: 0.7064066709705793
Energy: 0.7405083849245186
Energy: 0.7069962309614299
Energy: 0.7081165474384787
Energy: 0.7405083849234373
Energy: 0.7069962309617903
Energy: 0.7081165474395601
Energy: 0.7405083849219954
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Energy: 0.7081165474377578
Energy: 0.7405083849237977
Energy: 0.6906168430715109
Energy: 0.7061775648193253
Energy: 0.6446755700988127
Energy: 0.6906168431039352
Energy: 0.7061775648196856
Energy: 0.6446936547989998
Energy: 0.6906168431471729
Energy: 0.7061775648193253
Energy: 0.6446977028062552
Energy: 0.6906168430592555
Energy: 0.7059925540085755
Energy: 0.7084589816126049
Energy: 0.7966185929182975
Energy: 0.7059925540082151
Energy: 0.7084589816144072
Energy: 0.796618592917937
Energy: 0.7059925540082151
Energy: 0.7084589816147676
Energy: 0.7966185929182975
Energy: 0.7059925540082151
Energy: 0.7062092984054048
Energy: 0.6415617443712452
Energy: 0.678392490509713
Energy: 0.7062092984054048
Energy: 0.6415617442231653
Energy: 0.6783924911261666
Energy: 0.7062092984050444
Energy: 0.641561744545982
Energy: 0.6783924903281275
Energy: 0.7062092984054048
Energy: 0.7316620074998509
Energy: 0.7480368360383371
Energy: 0.7064066709504104
Energy: 0.7316620075002113
Energy: 0.7480368360383371
Energy: 0.7064066709143816
Energy: 0.7316620074998509
Energy: 0.7480368360383371
Energy: 0.7064066709925667
Energy: 0.7316620075002113
Energy: 0.7069962309614299
Energy: 0.7081165474370369
Energy: 0.7405083849237977
Energy: 0.7069962309625113
Energy: 0.7081165474395601
Energy: 0.7405083849263209
Energy: 0.7069962309617903
Energy: 0.7081165474355952
Energy: 0.740508384924879
Energy: 0.7069962309617903
Energy: 0.7061775648196856
Energy: 0.6446787926128905
Energy: 0.6906168431669814
Energy: 0.7061775648196856
Energy: 0.6446767131292821
Energy: 0.6906168431233831
Energy: 0.7061775648196856
Energy: 0.6446881912369913
Energy: 0.6906168430769177
Energy: 0.7061775648193253
Energy: 0.7084589816147676
Energy: 0.796618592917937
Energy: 0.7059925540067733
Energy: 0.7084589816136863
Energy: 0.7966185929182975
Energy: 0.7059925540064129
Energy: 0.7084589816144072
Energy: 0.796618592917937
Energy: 0.7059925540067733
Energy: 0.7084589816144072
Energy: 0.6415617443971812
Energy: 0.6783924925093329
Energy: 0.7062092984054048
Energy: 0.6415617442995482
Energy: 0.6783924917829744
Energy: 0.7062092984050444
Energy: 0.6415617442235256
Energy: 0.6783924926844304
Energy: 0.7062092984054048
Energy: 0.641561744357548
Energy: 0.7480368360383371
Energy: 0.7064066708967196
Energy: 0.7316620074994904
Energy: 0.7480368360379767
Energy: 0.7064066708729462
Energy: 0.7316620074998509
Energy: 0.7480368360383371
Energy: 0.7064066708470099
Energy: 0.7316620075002113
Energy: 0.7480368360383371
Energy: 0.7081165474381184
Energy: 0.7405083849223559
Energy: 0.7069962309621509
Energy: 0.7081165474391997
Energy: 0.7405083849259605
Energy: 0.7069962309617903
Energy: 0.7081165474388392
Energy: 0.7405083849234373
Energy: 0.7069962309617903
Energy: 0.7081165474388392
Energy: 0.6446704880182017
Energy: 0.6906168431540215
Energy: 0.706177564820046
Energy: 0.644673504469477
Energy: 0.6906168431471729
Energy: 0.7061775648193253
Energy: 0.6446704435550293
Energy: 0.6906168431615746
Energy: 0.7061775648196856
Energy: 0.644675696256596
Energy: 0.7966185929182975
Energy: 0.7059925540082151
Energy: 0.7084589816133259
Energy: 0.7966185929182975
Energy: 0.7059925540078547
Energy: 0.7084589816144072
Energy: 0.7966185929182975
Energy: 0.7059925540067733
Energy: 0.7084589816136863
Energy: 0.796618592917937
Energy: 0.6783924904279234
Energy: 0.7062092984054048
Energy: 0.6415617441921828
Energy: 0.6783924926073265
Energy: 0.7062092984054048
Energy: 0.6415617441529101
Energy: 0.6783924922827073
Energy: 0.7062092984054048
Energy: 0.6415617444317682
Energy: 0.6783924915340173
Energy: 0.7064066708913127
Energy: 0.7316620075002113
Energy: 0.7480368360383371
Energy: 0.7064066709684165
Energy: 0.7316620074998509
Energy: 0.7480368360383371
Energy: 0.7064066709223116
Energy: 0.7316620075002113
Energy: 0.7480368360383371
Energy: 0.7064066709727419
Energy: 0.7405083849263209
Energy: 0.7069962309617903
Energy: 0.7081165474373974
Energy: 0.7405083849259605
Energy: 0.7069962309617903
Energy: 0.7081165474391997
Energy: 0.7405083849252395
Energy: 0.7069962309614299
Energy: 0.7081165474377578
Energy: 0.7405083849255999
Energy: 0.6906168429472044
Energy: 0.7061775648193253
Energy: 0.6447021650519008
Energy: 0.6906168429158616
Energy: 0.7061775648196856
Energy: 0.6446995369059555
Energy: 0.6906168429183848
Energy: 0.7061775648196856
Energy: 0.6447002043854855
Energy: 0.6906168429367677
Energy: 0.7059925540085755
Energy: 0.7084589816151281
Energy: 0.7966185929182975
Energy: 0.7059925540085755
Energy: 0.7084589816140467
Energy: 0.796618592917937
Energy: 0.7059925540078547
Energy: 0.7084589816154885
Energy: 0.7966185929182975
Energy: 0.7059925540082151
Energy: 0.7062092984054048
Energy: 0.6415617444184479
Energy: 0.6783924923515208
Energy: 0.7062092984050444
Energy: 0.6415617443942976
Energy: 0.6783924927038782
Energy: 0.7062092984054048
Energy: 0.641561744459523
Energy: 0.6783924909179241
Energy: 0.7062092984054048

minimum gb energy = 0.6415617441529101 eV
minimum distance =  2.61542729221881 Angstroms
sigma value = 15


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

Energy: 0.6815171807992486
Energy: 0.7771314146658848
Energy: 0.7567363097773914
Energy: 0.6620517770449603
Energy: 0.7771314146642507
Energy: 0.756736310055039
Energy: 0.6815171808008824
Energy: 0.7771314146626167
Energy: 0.7567363066612683
Energy: 0.6620517770449603
Energy: 0.7378092249034146
Energy: 0.6484380489303073
Energy: 0.726727029101304
Energy: 0.7378092249001468
Energy: 0.6484380489286734
Energy: 0.726727029102938
Energy: 0.7378092249050484
Energy: 0.6484380489303073
Energy: 0.726727029101304
Energy: 0.7378092249099502
Energy: 0.7241798319658335
Energy: 0.6520853854510024
Energy: 0.8140789978933677
Energy: 0.7241798319658335
Energy: 0.6520853898557534
Energy: 0.8140789978917339
Energy: 0.7241798319658335
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Energy: 0.8140789978917339
Energy: 0.7241798319658335
Energy: 0.6264877285499042
Energy: 0.6602562982627951
Energy: 0.6357430304716745
Energy: 0.6264877355383281
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Energy: 0.6357404841271082
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Energy: 0.6602562982905716
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Energy: 0.6689783941309745
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Energy: 0.6716995616676524
Energy: 0.7602233754547089
Energy: 0.6307151031640447
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Energy: 0.6307151031607768
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Energy: 0.6307151031624108
Energy: 0.6716995616562151
Energy: 0.6539873932385942
Energy: 0.6853699051556236
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Energy: 0.65398739727096
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Energy: 0.652747905573484
Energy: 0.6985756302953116
Energy: 0.7791652524136667
Energy: 0.7336518417950046
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Energy: 0.7791652524120328
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Energy: 0.8275724389225354
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Energy: 0.6631575201714731
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Energy: 0.6505334580587123
Energy: 0.674722424294005
Energy: 0.8275724389209015
Energy: 0.6531900766757331
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Energy: 0.8275724389225354
Energy: 0.650290246100164
Energy: 0.7763727392842449
Energy: 0.7460109722858523
Energy: 0.648995520659579
Energy: 0.7763570794787877
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Energy: 0.7322426048502347
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Energy: 0.7322426048698122
Energy: 0.6431992367119823
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Energy: 0.732242604732652
Energy: 0.7473594068345065
Energy: 0.6307120892750749
Energy: 0.7643767225587271
Energy: 0.7473594068361404
Energy: 0.6344576820629444
Energy: 0.7643767225587271
Energy: 0.7473594068361404
Energy: 0.6307120894840978
Energy: 0.7643767225587271
Energy: 0.7473594068361404
Energy: 0.7224223702594378
Energy: 0.6263330715926159
Energy: 0.6856435809792828
Energy: 0.7224223702578039
Energy: 0.6261917688258293
Energy: 0.6856435809809167
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Energy: 0.6261955048317394
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Energy: 0.7224223702578039
Energy: 0.655424575446502
Energy: 0.6653923396396074
Energy: 0.7967922283886854
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Energy: 0.6653923396363396
Energy: 0.7967920668510438
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Energy: 0.6653923396396074
Energy: 0.796792263237791
Energy: 0.655424575448136
Energy: 0.7635349531760887
Energy: 0.7719921988303653
Energy: 0.6557974692740394
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Energy: 0.7719921977557214
Energy: 0.6544048051130615
Energy: 0.7635349531760887
Energy: 0.7719921979631401
Energy: 0.6557974692756733
Energy: 0.7635349531744547
Energy: 0.6481144922403084
Energy: 0.7234029283176677
Energy: 0.7314760901708863
Energy: 0.6481441909383725
Energy: 0.7234029281886475
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Energy: 0.7234029279371427
Energy: 0.7314760901741542
Energy: 0.6481524528675908
Energy: 0.6643634862140106
Energy: 0.7586319878548624
Energy: 0.7267324957208539
Energy: 0.6639028243232623
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Energy: 0.6770645292486643
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Energy: 0.7157653013850099
Energy: 0.7493068201372092
Energy: 0.6530974528819725
Energy: 0.6725899320194152
Energy: 0.7521879239565346
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Energy: 0.752187923948365
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Energy: 0.6530974528819725
Energy: 0.7492282586997397
Energy: 0.8225646326776955
Energy: 0.6329109235932624
Energy: 0.7492282587030075
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Energy: 0.7492282587030075
Energy: 0.8225646326809634
Energy: 0.6329109235932624
Energy: 0.7492282587013736
Energy: 0.6578554251174877
Energy: 0.6521182838825241
Energy: 0.7041108580789701
Energy: 0.6550028134038183
Energy: 0.653347545556655
Energy: 0.7041108598346616
Energy: 0.6578554251419965
Energy: 0.6521182861363236
Energy: 0.7041108587290028
Energy: 0.6550028133956487
Energy: 0.6308344851874181
Energy: 0.7055050755751773
Energy: 0.6470017544387281
Energy: 0.6308344851743468
Energy: 0.7055050755735434
Energy: 0.6470017544485316
Energy: 0.630834485171079
Energy: 0.7055050755751773
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Energy: 0.6308344851661772
Energy: 0.6650290582285383
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Energy: 0.7449669428298789
Energy: 0.6650290582252704
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Energy: 0.6650290582252704
Energy: 0.6529816172273958
Energy: 0.7997317076487224
Energy: 0.6832674076425657
Energy: 0.6487980347769705
Energy: 0.7997317073465956
Energy: 0.6759236225143308
Energy: 0.6529816172273958
Energy: 0.7997317075833952
Energy: 0.6832674077193303
Energy: 0.6487980347835062
Energy: 0.753284417667498
Energy: 0.6387044924119188
Energy: 0.6839068845584857
Energy: 0.7532844175972692
Energy: 0.6387044924135529
Energy: 0.6839068845584857
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Energy: 0.638704492410285
Energy: 0.6839068845601195
Energy: 0.7532844176070728
Energy: 0.7475522677487003
Energy: 0.7043462351193093
Energy: 0.7643485199141952
Energy: 0.747552267735629
Energy: 0.7043462351127736
Energy: 0.7643485199174629
Energy: 0.7475522677258255
Energy: 0.7043462351225475
Energy: 0.7643485199158291
Energy: 0.7475522677225577
Energy: 0.7565736061833926
Energy: 0.6439761408175566
Energy: 0.6886117957653258
Energy: 0.757808779890982
Energy: 0.6398963905923899
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Energy: 0.7565736061850266
Energy: 0.6439761408175566
Energy: 0.6886117957669599
Energy: 0.757808779892616
Energy: 0.6789896757834336
Energy: 0.6622117758601294
Energy: 0.707524673606057
Energy: 0.6789890701752922
Energy: 0.6622117758535936
Energy: 0.7075246729168695
Energy: 0.6789896861917709
Energy: 0.6622117758470578
Energy: 0.7075246714894473
Energy: 0.6789893511141574
Energy: 0.7477399224586602
Energy: 0.7446024996344869
Energy: 0.6526787140949569
Energy: 0.7477490966968707
Energy: 0.7446024996344869
Energy: 0.6511729564474
Energy: 0.7477694983094448
Energy: 0.7446024996361208
Energy: 0.6526787140933231
Energy: 0.7477608776931535
Energy: 0.6531764511482303
Energy: 0.7683674854720199
Energy: 0.7227013605658378
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Energy: 0.7227013605544004
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Energy: 0.7683674854720199
Energy: 0.722701360492341
Energy: 0.6531764511482303
Energy: 0.6813246513973954
Energy: 0.7372122711230972
Energy: 0.7102979489117502
Energy: 0.6711139551311145
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Energy: 0.7102979489101163
Energy: 0.6813246517958936
Energy: 0.7372122711394364
Energy: 0.7102979489117502
Energy: 0.6711139551474241
Energy: 0.6730337861410288
Energy: 0.7382454943056495
Energy: 0.7441960624718094
Energy: 0.6622150534067061
Energy: 0.7382454943056495
Energy: 0.7474857805699672
Energy: 0.6730337908315672
Energy: 0.7382454943072834
Energy: 0.7441960624718094
Energy: 0.6622150534785688
Energy: 0.6574170761961352
Energy: 0.7711934713025207
Energy: 0.7438585427424209
Energy: 0.6574170761945014
Energy: 0.7711934712976486
Energy: 0.74385854272118
Energy: 0.6574170761961352
Energy: 0.7711934713139581
Energy: 0.7438585427064746
Energy: 0.6574170761977692
Energy: 0.7528521650035407
Energy: 0.6527500777585875
Energy: 0.6945529857876741
Energy: 0.7528521650051746
Energy: 0.6527500777553197
Energy: 0.6909703618800128
Energy: 0.7528521650068085
Energy: 0.6527500777569537
Energy: 0.6938444833368972
Energy: 0.7528521650019068
Energy: 0.7145379223823651
Energy: 0.7381443954094161
Energy: 0.6655777573188462
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Energy: 0.7381443954094161
Energy: 0.6536041768791764
Energy: 0.7145379223758294
Energy: 0.738144395412684
Energy: 0.6655777573188462
Energy: 0.7145379223774634
Energy: 0.7642347327978616
Energy: 0.7227111748540926
Energy: 0.6342829739864329
Energy: 0.7642347327962277
Energy: 0.7227111748557266
Energy: 0.6342829739880668
Energy: 0.764234732789692
Energy: 0.7227111748557266
Energy: 0.6342829739978405
Energy: 0.7642347327962277
Energy: 0.7328843627927544
Energy: 0.6814777176816806
Energy: 0.6859289292559635
Energy: 0.7328843627976561
Energy: 0.6814777177927278
Energy: 0.6859289294829596
Energy: 0.7328843627943882
Energy: 0.6814777176702432
Energy: 0.6859289295891348
Energy: 0.7328843627960221
Energy: 0.7976914812711026
Energy: 0.6945805312899035
Energy: 0.6522240237196306
Energy: 0.7976914812727365
Energy: 0.694580524451711
Energy: 0.6522240237212645
Energy: 0.7976914812727365
Energy: 0.6945805320869001
Energy: 0.6522240237196306
Energy: 0.7976914812711026
Energy: 0.6503431858157805
Energy: 0.7418016616385881
Energy: 0.7385380806375237
Energy: 0.6503431856214331
Energy: 0.7418016616402221
Energy: 0.7385380805640269
Energy: 0.6503431857537214
Energy: 0.7418016616402221
Energy: 0.7385380807616422
Energy: 0.6503431855887845
Energy: 0.6939237917290882
Energy: 0.6561604417098411
Energy: 0.7492573928391377
Energy: 0.6939237777146303
Energy: 0.6475076778924099
Energy: 0.7364237202086665
Energy: 0.6939237837313176
Energy: 0.6566906931772593
Energy: 0.7492573928391377
Energy: 0.6939238502104986
Energy: 0.7852975693968962
Energy: 0.6400039328882885
Energy: 0.7454643177682638
Energy: 0.785297569401798
Energy: 0.6400039328882885
Energy: 0.745464317764996
Energy: 0.785297569401798
Energy: 0.6400039328915563
Energy: 0.7454643177747995
Energy: 0.785297569400164
Energy: 0.6939461786199032
Energy: 0.8824881265911343
Energy: 0.6528737978648145
Energy: 0.6939461786199032
Energy: 0.8824881265895004
Energy: 0.6528737937850946
Energy: 0.6939461786199032
Energy: 0.8824881265895004
Energy: 0.6528737991827938
Energy: 0.6939461786199032
Energy: 0.7494946001195124
Energy: 0.6354058709777805
Energy: 0.7759681559406418
Energy: 0.749494598536957
Energy: 0.636565053902462
Energy: 0.7759681559324721
Energy: 0.7494945984275437
Energy: 0.6354058709777805
Energy: 0.7759681558573417
Energy: 0.7494945969886843
Energy: 0.6890770708385491
Energy: 0.6518891759754969
Energy: 0.739075503956641
Energy: 0.6890774020879477
Energy: 0.6518891767137018
Energy: 0.7390755039582749
Energy: 0.6890774069418187
Energy: 0.6518891776283108
Energy: 0.7390755039615428
Energy: 0.6890779380942196
Energy: 0.7354500205762786
Energy: 0.6749314657686223
Energy: 0.6549316312522627
Energy: 0.7354500205762786
Energy: 0.6749314658339495
Energy: 0.6564849687291802
Energy: 0.7354500205746448
Energy: 0.6749314656640811
Energy: 0.6549316312506287
Energy: 0.7354500205746448
Energy: 0.6602001039153779
Energy: 0.67314020904332
Energy: 0.7532313635330146
Energy: 0.6602001039153779
Energy: 0.6731402090449539
Energy: 0.7532313635281127
Energy: 0.6602001039153779
Energy: 0.6731402090449539
Energy: 0.7532313635297467
Energy: 0.6602001039170117
Energy: 0.6630220276280598
Energy: 0.7351158063574718
Energy: 0.735380399322031
Energy: 0.6632113910170273
Energy: 0.7351158062186481
Energy: 0.7353803993334685
Energy: 0.6630249182320677
Energy: 0.7351158062529602
Energy: 0.7353803993154955
Energy: 0.6632114044484432

minimum gb energy = 0.6261917688258293 eV
minimum distance =  2.50321906756856 Angstroms
sigma value = 437


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

Energy: 0.6422200964002288
Energy: 0.6789608554290355
Energy: 0.6642005900511858
Energy: 0.6422200964002288
Energy: 0.678960835589317
Energy: 0.6642005900511858
Energy: 0.6422200964002288
Energy: 0.6789607563839134
Energy: 0.6642005900505904
Energy: 0.6422200964002288
Energy: 0.7810563693471632
Energy: 0.6169017406041646
Energy: 0.7082275320677598
Energy: 0.7810563691412824
Energy: 0.6169017406023788
Energy: 0.7082275320695456
Energy: 0.781056369304304
Energy: 0.6169017406041646
Energy: 0.708227532068355
Energy: 0.7810563693168046
Energy: 0.7070534186142748
Energy: 0.6121127966541247
Energy: 0.7819027724241101
Energy: 0.7117682784805536
Energy: 0.6121127966535292
Energy: 0.7819027724229196
Energy: 0.70705341861487
Energy: 0.612112796652934
Energy: 0.7730238188712389
Energy: 0.7070534186142748
Energy: 0.6960884377201709
Energy: 0.7342090956978915
Energy: 0.7194581099991292
Energy: 0.6960884377189804
Energy: 0.734209095696701
Energy: 0.7194581099991292
Energy: 0.696088437711242
Energy: 0.7342090956972963
Energy: 0.7194581099991292
Energy: 0.6960884377118373
Energy: 0.6899888719557932
Energy: 0.6492308178630637
Energy: 0.8375647815856148
Energy: 0.6899888719551979
Energy: 0.649230817861873
Energy: 0.8375647815850193
Energy: 0.6899888719569837
Energy: 0.6492308178630637
Energy: 0.8375647815850193
Energy: 0.6899888719569837
Energy: 0.6875884212695923
Energy: 0.7613764605974852
Energy: 0.6317528108114092
Energy: 0.6875884212689971
Energy: 0.7613764605980804
Energy: 0.6317528108102187
Energy: 0.6875884212689971
Energy: 0.7613764605974852
Energy: 0.6317528108114092
Energy: 0.6875884212689971
Energy: 0.7112395885969588
Energy: 0.6376190270999496
Energy: 0.605195937246352
Energy: 0.7112395885981495
Energy: 0.6376190271606397
Energy: 0.605195936808426
Energy: 0.7112395885987447
Energy: 0.6376190270511377
Energy: 0.6051959370041872
Energy: 0.7112395885981495
Energy: 0.6994073935190467
Energy: 0.7571748775828259
Energy: 0.6634899832583013
Energy: 0.6994073935172879
Energy: 0.7571748775828259
Energy: 0.6634899832642539
Energy: 0.6994073935184514
Energy: 0.7571748775858024
Energy: 0.6634899832612777
Energy: 0.6994073935172879
Energy: 0.7477401240292825
Energy: 0.711968871560198
Energy: 0.64240562888499
Energy: 0.7477401238537604
Energy: 0.711968871560198
Energy: 0.64240562888499
Energy: 0.7477401239281416
Energy: 0.711968871560198
Energy: 0.6424056288826089
Energy: 0.7477401237186891
Energy: 0.6693057628713518
Energy: 0.6952478657878095
Energy: 0.7439333100358438
Energy: 0.6693057628713518
Energy: 0.6952478658128107
Energy: 0.7439333100352485
Energy: 0.6693057628707565
Energy: 0.6952478658508806
Energy: 0.7439333100352485
Energy: 0.6693057628713518
Energy: 0.7027282576270932
Energy: 0.6303723902489455
Energy: 0.6749170507480345
Energy: 0.7027282576270932
Energy: 0.6303723902471597
Energy: 0.6749170507480345
Energy: 0.702728257626498
Energy: 0.6303723902495407
Energy: 0.6749170507486298
Energy: 0.7027282576270932
Energy: 0.7003354106775613
Energy: 0.6122891202712252
Energy: 0.8365953724719147
Energy: 0.7003354112267481
Energy: 0.6122891202706299
Energy: 0.83659537247251
Energy: 0.7003354094304527
Energy: 0.6122891202712252
Energy: 0.83659537247251
Energy: 0.700335407377679
Energy: 0.640958218288925
Energy: 0.7876966147282214
Energy: 0.6319704190838611
Energy: 0.640958218288925
Energy: 0.7876966147270309
Energy: 0.6319704190892184
Energy: 0.640958218288925
Energy: 0.7876966147282214
Energy: 0.6319704190886232
Energy: 0.6409582182883298
Energy: 0.7442544446248046
Energy: 0.658071994439873
Energy: 0.6593563332883061
Energy: 0.7442544446259951
Energy: 0.6580719944392777
Energy: 0.6593563333769467
Energy: 0.7442544446259951
Energy: 0.6580719944404683
Energy: 0.6593563335364238
Energy: 0.7442544446265904

minimum gb energy = 0.605195936808426 eV
minimum distance =  2.5203056825733 Angstroms
sigma value = 33