Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535584409671
mass=95.95
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: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 33.032070048415214
Energy: 0.02109719595376358
Energy: 0.02163573446791096
Energy: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 32.82770607076466
Energy: 1.050935617362293
Energy: 0.021341507355920455
Energy: 0.020953063183521005
Energy: 1.0428247676854852
Energy: 0.020953063183521005
Energy: 0.021341507355920455
Energy: 1.0509356173603854
Energy: 0.021341507355920455
Energy: 0.020953063183521005
Energy: 1.0428247676854852
Energy: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 8.501853224225268
Energy: 0.02109719595376358
Energy: 0.02163573446791096
Energy: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 33.01636096269856
Energy: 1.0509356173603854
Energy: 0.021341507355920455
Energy: 0.020953063183521005
Energy: 1.0428247676854852
Energy: 0.020953063183521005
Energy: 0.021341507355920455
Energy: 1.0509356173603854
Energy: 0.021341507355920455
Energy: 0.020953063183521005
Energy: 1.0428247676854852
Energy: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 32.860712180103604
Energy: 0.02109719595376358
Energy: 0.02163573446791096
Energy: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 32.855090945260415
Energy: 1.0509356173603854
Energy: 0.021341507355920455
Energy: 0.020953063183521005
Energy: 1.0428247676854852
Energy: 0.020953063183521005
Energy: 0.021341507355920455
Energy: 1.0509356173603854
Energy: 0.021341507355920455
Energy: 0.020953063183521005
Energy: 1.0428247676854852
Energy: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 32.99932764366259
Energy: 0.02109719595376358
Energy: 0.02163573446791096
Energy: 0.019688062576276144
Energy: 0.02163573446791096
Energy: 0.02109719595376358
Energy: 32.76847762930174

minimum gb energy = 0.019688062576276144 eV
minimum distance =  1.66127957213128 Angstroms
sigma value = 3


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

Energy: 2.637069921797478
Energy: 2.062836414059365
Energy: 1.9625273541319446
Energy: 2.1113195799334434
Energy: 1.9496571200647181
Energy: 2.065257276868381
Energy: 2.637069921796543
Energy: 2.062836414061234
Energy: 1.9625273541296078
Energy: 2.111319579934846
Energy: 2.1302160608820175
Energy: 2.026429394231191
Energy: 1.9448003131533207
Energy: 2.1804911678643
Energy: 1.9299488116940948
Energy: 1.9969142870245973
Energy: 2.1302160608838863
Energy: 2.026429394232593
Energy: 1.9448003131542555
Energy: 2.180491167861964
Energy: 2.370238583293183
Energy: 1.9715744513136815
Energy: 1.9466951812770643
Energy: 2.0095326706971646
Energy: 1.922395210619982
Energy: 1.9455935039663967
Energy: 2.3702385832908464
Energy: 1.9879671130319119
Energy: 1.9466951812761297
Energy: 2.0095326706971646
Energy: 2.112764722744934
Energy: 2.0000419487405057
Energy: 1.9016040572834971
Energy: 1.924642651164727
Energy: 1.8912638506706332
Energy: 2.0549586979320535
Energy: 2.112764722743999
Energy: 2.0000419487414405
Energy: 1.9016040572844317
Energy: 1.9246426511637924
Energy: 2.091205242830963
Energy: 1.9118769126060635
Energy: 1.9062693303126907
Energy: 1.9755312594923438
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Energy: 1.9118769126060635
Energy: 1.9062693303103537
Energy: 1.9755312594932786
Energy: 1.916350208832623
Energy: 2.0546104276644352
Energy: 1.905609520360218
Energy: 1.9027611066179555
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Energy: 2.2039386023815304
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Energy: 2.054610427663968
Energy: 1.905609520359283
Energy: 1.9027611066179555
Energy: 2.0595882452668177
Energy: 1.902330178114441
Energy: 2.0280638679856966
Energy: 1.9016507280048913
Energy: 2.0262723657653754
Energy: 2.1143771545491
Energy: 2.0595882452649485
Energy: 1.9023301781158433
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Energy: 2.0077652976096347
Energy: 1.9629443019896202
Energy: 1.9827810983743044
Energy: 1.9579054800611693
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Energy: 2.0077652976105695
Energy: 1.9629443019886856
Energy: 1.9827810983757064
Energy: 1.9579054800592997
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Energy: 1.9444471500881888
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Energy: 1.972261042418316
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Energy: 1.9554918669320431
Energy: 2.057005926990472
Energy: 1.9362036261938078
Energy: 2.0578916997453867
Energy: 1.9632170924058747
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Energy: 2.0570059269895373
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Energy: 2.0578916997453867
Energy: 1.963217092406342
Energy: 1.9413380833788203
Energy: 1.9295639417941544
Energy: 2.076816946982255
Energy: 1.9016532775524864
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Energy: 2.001725285977827
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Energy: 1.941433308499222
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Energy: 1.900314419414655
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Energy: 1.901115001461628
Energy: 1.9414333085010913
Energy: 1.9906027628116425
Energy: 1.900314419414655
Energy: 1.92569182085847
Energy: 1.9738241668350398
Energy: 1.9662740992784615
Energy: 1.9299962041996768
Energy: 2.2046765275148372
Energy: 1.9257570780802182
Energy: 1.9256918208589373
Energy: 1.9738241668350398
Energy: 1.9662740992784615
Energy: 1.9299962041992094
Energy: 1.901823887318529
Energy: 1.9812812200031185
Energy: 1.9297623048473944
Energy: 1.9562112150901738
Energy: 2.1836301391870805
Energy: 2.025148213592568
Energy: 1.9018238873194633
Energy: 1.981281220002651
Energy: 1.9297623048501984
Energy: 1.9562112150906412
Energy: 1.991766277248511
Energy: 1.9530700679552095
Energy: 1.921619878691485
Energy: 2.0257363405783395
Energy: 2.609731805994708
Energy: 2.015862346683657
Energy: 1.9917662772466416
Energy: 1.9530700679547421
Energy: 1.9216198786919523
Energy: 2.0102676100377264
Energy: 1.9899028112703399
Energy: 2.414087570464735
Energy: 1.944951368640265
Energy: 1.9116854377577503
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Energy: 1.9981593854378759
Energy: 1.989902811270807
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Energy: 1.9449513686407325
Energy: 1.9116854377568155
Energy: 1.9249626242010023
Energy: 1.9435879013648594
Energy: 1.9506666768596155
Energy: 1.9720971860277585
Energy: 2.384058052622626
Energy: 1.977702670144793
Energy: 1.9249626242010023
Energy: 1.9435879013685982
Energy: 1.9506666768586811
Energy: 1.9720971860268237
Energy: 1.9023333931600503
Energy: 2.000061233134778
Energy: 1.9016028497610817
Energy: 1.991780729471802
Energy: 2.087186286265334
Energy: 2.0094521689434517
Energy: 1.9023333931591158
Energy: 2.00006123313431
Energy: 1.9016028497596795
Energy: 1.9917807294708674
Energy: 2.0488117796506655
Energy: 1.9107278173355808
Energy: 1.9951165563974425
Energy: 1.9357717801146592
Energy: 2.2039442668826172
Energy: 1.954120139421163
Energy: 2.048811779649731
Energy: 1.9107278173360482
Energy: 1.995116556395573
Energy: 1.9168168500951817
Energy: 1.8948742299535382
Energy: 1.906999512074143
Energy: 1.9115537325119896
Energy: 2.0912465509473708
Energy: 1.9722844083971827
Energy: 1.8953354256392803
Energy: 1.8948742299554073
Energy: 1.9069995120760126
Energy: 1.9115537325096528
Energy: 2.0912465509473708
Energy: 1.9269820015564036
Energy: 1.9023884978012473
Energy: 1.9818912346969386
Energy: 2.153046200694426
Energy: 2.0548217254961045
Energy: 1.8920934115247212
Energy: 1.926982001556871
Energy: 1.9023884978003127
Energy: 1.981891234696471
Energy: 2.153046200695361
Energy: 2.0369465604839587
Energy: 1.9295364620525741
Energy: 1.9453284565701252
Energy: 2.370930964656243
Energy: 1.9884365832686814
Energy: 1.9353485834992867
Energy: 2.036946560483491
Energy: 1.9295364620530415
Energy: 1.9453284565733966
Energy: 2.3709309646571772
Energy: 2.0700748864034657
Energy: 2.109339215559949
Energy: 1.9102852331159184
Energy: 2.0897466700316794
Energy: 2.0147187792219636
Energy: 1.929398205489125
Energy: 2.0700748864072045
Energy: 2.109339215559014
Energy: 1.9102852331182552
Energy: 2.089746670033549
Energy: 2.1112522424959383
Energy: 1.9497844378111724
Energy: 2.02020495311969
Energy: 2.5571791653275997
Energy: 2.062836414059832
Energy: 1.9625273541310098
Energy: 2.1112522424954716
Energy: 1.9497844378088356
Energy: 2.0202049531201145
Energy: 2.5571791653271325
Energy: 2.1804911678628986
Energy: 1.9299488116959644
Energy: 1.9969142870236627
Energy: 2.130216060883419
Energy: 2.0264293942316582
Energy: 1.9448003131528533
Energy: 2.1804911678628986
Energy: 1.9299488116950296
Energy: 1.9969142870236627
Energy: 2.130216060882952
Energy: 2.036946560484893
Energy: 1.9223952106167104
Energy: 1.945593503962658
Energy: 2.3702385832908464
Energy: 1.9715744513155509
Energy: 1.946695181276597
Energy: 2.0369465604844255
Energy: 1.9223952106185795
Energy: 1.9455935039645271
Energy: 2.3702385832913135
Energy: 1.9246426511628576
Energy: 1.8912638506711006
Energy: 2.054897787794628
Energy: 2.112764722744467
Energy: 2.000041948741908
Energy: 1.9016040572839645
Energy: 1.9246426511637924
Energy: 1.8912638506687638
Energy: 2.0548977877950954
Energy: 2.11276472274213

minimum gb energy = 1.8912638506687638 eV
minimum distance =  2.43410250758487 Angstroms
sigma value = 75


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

Energy: 2.6667410028005647
Energy: 2.2215412450592606
Energy: 2.1783161792009995
Energy: 2.262633016736636
Energy: 2.150807069087402
Energy: 2.308915269375687
Energy: 2.6667410028005647
Energy: 2.2215412450615415
Energy: 2.178316179185078
Energy: 2.24747618918084
Energy: 2.019882031875161
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Energy: 2.150216506869155
Energy: 2.227937753980657
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Energy: 2.227937753980657
Energy: 2.0765301115750026
Energy: 2.0652683295745593
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Energy: 2.065034028527125
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Energy: 2.065034028527125
Energy: 2.040042626573384
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Energy: 2.070543516728246
Energy: 2.0651102381903503
Energy: 2.066115016457258
Energy: 2.069516719652641
Energy: 2.040042626573384
Energy: 2.085587757034261
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Energy: 2.0651102381903503
Energy: 2.0860012978165816
Energy: 2.0470209563121027
Energy: 2.027426753732893
Energy: 2.064928683961988
Energy: 1.9890166382087326
Energy: 2.141971084076025
Energy: 2.0860012978188625
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Energy: 2.1341563008340865
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Energy: 2.065019561642852
Energy: 2.0771860137813745
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Energy: 2.434111691480426
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Energy: 2.0627871687543458
Energy: 2.1556107645446003
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Energy: 2.367501905972245
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Energy: 2.097072012524922
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Energy: 2.0970720125226414
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Energy: 2.0655233658278638
Energy: 2.0714454849991646
Energy: 2.098591770760397
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Energy: 2.077172255537068
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Energy: 2.065523365830144
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Energy: 2.098591770760397
Energy: 2.2000198664048956
Energy: 2.112636279049473
Energy: 2.1779271234728275
Energy: 2.1123158769341783
Energy: 2.1099375479587748
Energy: 2.096707952930937
Energy: 2.2000198664026147
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Energy: 2.1102392091867674
Energy: 2.1069020312287146
Energy: 2.1507428267235364
Energy: 2.277269530648149
Energy: 2.3159017706244396
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Energy: 2.1298518691969357
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Energy: 2.277269530648149
Energy: 2.3041414813860617
Energy: 2.0755384792363936
Energy: 2.0652107119928123
Energy: 2.2248508974984387
Energy: 2.1338611151952116
Energy: 2.2851889083698143
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minimum gb energy = 1.9812177161506295 eV
minimum distance =  2.39078206507306 Angstroms
sigma value = 105


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

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Energy: 2.1269207539784905
Energy: 1.9717515706759101
Energy: 2.3081371115368414
Energy: 2.0433415768452323
Energy: 2.2065862795790494
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Energy: 2.1269207539790047
Energy: 1.9717515706753956
Energy: 2.308137111536608
Energy: 2.2333036286910875
Energy: 2.09552616466897
Energy: 2.1791165431379245
Energy: 2.357486815323445
Energy: 1.9543778348494678
Energy: 2.0810077466558403
Energy: 2.233303628690292
Energy: 2.095526164671309
Energy: 2.17911654313872
Energy: 2.287281759488691
Energy: 1.9674158314891388
Energy: 2.2882253546204074
Energy: 2.23569287390389
Energy: 1.9689012066149583
Energy: 2.033740271503397
Energy: 2.0610478996637767
Energy: 1.9674158314881096
Energy: 2.2882253546190983
Energy: 2.235692873903095
Energy: 1.968901206613181
Energy: 2.0813331625490163
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Energy: 2.059034858409513
Energy: 2.022006525881945
Energy: 2.01336059579878
Energy: 2.069374770413109
Energy: 2.3020468034781465
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Energy: 2.022006525880916
Energy: 2.0133605957974705
Energy: 2.0693747704159158
Energy: 2.0594270051239363
Energy: 2.0560927230082986
Energy: 2.0753461036469187
Energy: 2.181660369845296
Energy: 2.3436722092059217
Energy: 2.248318908910906
Energy: 2.0594270051246846
Energy: 2.056092723009842
Energy: 2.0753461036481817
Energy: 2.181660369845296
Energy: 2.783420898975451
Energy: 2.103966742743783
Energy: 2.1476251536428768
Energy: 1.932658173731196
Energy: 2.231294293616299
Energy: 2.0480765321722796
Energy: 2.7834208989751703
Energy: 2.1039667427440167
Energy: 2.1476251536444204
Energy: 1.9326581737309618
Energy: 2.105943918249013
Energy: 2.0785190186679934
Energy: 2.097353114248572
Energy: 2.1339235099844185
Energy: 2.0617377565782595
Energy: 1.9688508216812173
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Energy: 2.07851901866514
Energy: 2.0973531142480573
Energy: 2.133923509984699
Energy: 2.0911706781626234
Energy: 1.9865472586710846
Energy: 1.9879823602426565
Energy: 2.2424024600094894
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Energy: 1.9635148589794251
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Energy: 1.9879823602442002
Energy: 2.2424024600084604
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Energy: 1.983906616957616
Energy: 1.9623345256079547
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Energy: 1.9632689398534797
Energy: 2.132934431090721
Energy: 2.075602896590833
Energy: 1.9839066169578965
Energy: 1.9623345256082356
Energy: 2.1518051453718696
Energy: 2.0566816871897493
Energy: 2.3480242352160867
Energy: 2.0426720000270064
Energy: 2.0847737235670762
Energy: 1.9047736228954986
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Energy: 2.056681687190264
Energy: 2.3480242352171157
Energy: 2.042672000025697
Energy: 2.0847737235660473
Energy: 2.285711690302088
Energy: 2.137715286584546
Energy: 2.079077157726467
Energy: 2.2308346024955994
Energy: 2.445806366914667
Energy: 2.2828761834546305
Energy: 2.285711690303117
Energy: 2.137715286583751
Energy: 2.079077157725952
Energy: 2.2308346024955994
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Energy: 2.1487508664471267
Energy: 2.021451225620913
Energy: 2.0609806486087097
Energy: 2.0117368809674003
Energy: 2.204576429307317
Energy: 2.3103600374511895
Energy: 2.148750866444787
Energy: 2.021451225621708
Energy: 2.0609806486094584
Energy: 2.0005324276217396
Energy: 1.9848934180712696
Energy: 2.0918682635040287
Energy: 2.0585588812068654
Energy: 1.9621417131476664
Energy: 2.278649853898768
Energy: 2.000532427621974
Energy: 1.9848934180712696
Energy: 2.0918682635040287
Energy: 2.0085925686977437
Energy: 1.984649201818569
Energy: 1.9732007751547636
Energy: 2.278215038171942
Energy: 1.96259697730294
Energy: 2.107243508180578
Energy: 1.970405928365194
Energy: 1.984649201819879
Energy: 1.9732007751547636
Energy: 2.278215038172456
Energy: 1.9625969773024254
Energy: 2.475050004868383
Energy: 2.285019879598199
Energy: 2.0616816344720643
Energy: 2.092418881852421
Energy: 2.079781679878534
Energy: 1.9913289741636961
Energy: 2.4750500048724993
Energy: 2.285019879598433
Energy: 2.061681634472345
Energy: 2.092418881851673
Energy: 1.944571656058535
Energy: 2.3095130874038867
Energy: 2.386488600025372
Energy: 2.394118439410176
Energy: 2.2131097669183393
Energy: 2.2012038077140152
Energy: 1.9445716560577868
Energy: 2.309513087405945
Energy: 2.3864886000266354
Energy: 2.394118439409942
Energy: 2.284591253308619
Energy: 2.0763492112820447
Energy: 2.082485850635309
Energy: 1.8992051108777699
Energy: 2.2030565913096565
Energy: 2.0436576335804273
Energy: 2.284591253308619
Energy: 2.076349211282559
Energy: 2.0824858506365715
Energy: 1.8992051108759924
Energy: 2.003647401906732
Energy: 2.0576654693785743
Energy: 1.943819724700294
Energy: 1.9620639657009316
Energy: 2.2786213626343814
Energy: 1.957044700470726
Energy: 2.003647401907761
Energy: 2.057665469377545
Energy: 1.943819724700294
Energy: 1.9620639656993881
Energy: 1.9888264926842452
Energy: 2.107374935118101
Energy: 1.9677040460406445
Energy: 2.018650910499667
Energy: 2.044966153765767
Energy: 1.987149546734038
Energy: 1.9888264926844792
Energy: 2.1073749351191298
Energy: 1.9677040460398494
Energy: 2.0186509104989185
Energy: 2.1288968745527876
Energy: 2.1393888594723607
Energy: 2.0803237301880246
Energy: 2.075109098808169
Energy: 2.1359858480659186
Energy: 2.034302466125216
Energy: 2.1288968745509633
Energy: 2.1393888594718464
Energy: 2.0803237301880246
Energy: 2.0751090988094787

minimum gb energy = 1.8992051108759924 eV
minimum distance =  2.41633609449476 Angstroms
sigma value = 165


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

Energy: 2.12050365688023
Energy: 2.4251047073392105
Energy: 1.8956570742618253
Energy: 1.9548456027267849
Energy: 1.8956212296376862
Energy: 2.425296054958
Energy: 2.12050365688023
Energy: 2.4251047073392105
Energy: 1.8956570742618253
Energy: 1.9548456027267849
Energy: 1.9642323922063132
Energy: 1.929192337765084
Energy: 1.8967154735597256
Energy: 2.0742027996282677
Energy: 1.8084546542556679
Energy: 1.8487073195220434
Energy: 1.9642323922045468
Energy: 1.9291923377642006
Energy: 1.8967154735606089
Energy: 2.0742027996282677
Energy: 1.847931604899151
Energy: 2.1315959005151686
Energy: 1.9763039941040719
Energy: 1.8487013028761734
Energy: 1.928593374811396
Energy: 2.2049948690107097
Energy: 1.847931604899151
Energy: 2.1315959005151686
Energy: 1.9763039940987726
Energy: 1.84870130287529
Energy: 1.9591712272939688
Energy: 2.0295891692917145
Energy: 2.1327732000560773
Energy: 1.8484747972994613
Energy: 1.8489665982967458
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Energy: 2.0295891692917145
Energy: 2.1327732000560773
Energy: 1.8484747972994613
Energy: 2.132356605776601
Energy: 2.0783691317455353
Energy: 2.1282163495608453
Energy: 2.08219135262303
Energy: 1.8492433815482996
Energy: 1.9006362670804364
Energy: 2.132356605776601
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Energy: 2.128216349521141
Energy: 2.082191353306311
Energy: 2.1109247149031405
Energy: 1.9373854043419971
Energy: 2.083660059607204
Energy: 2.0944064828694042
Energy: 2.4531353591322045
Energy: 1.8956497320853647
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Energy: 1.937385404343763
Energy: 2.083660059608088
Energy: 2.094406482868521
Energy: 1.9768983730122476
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Energy: 1.9726890787875628
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Energy: 1.9768983730113645
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Energy: 1.847970941250813
Energy: 1.8501840960246578
Energy: 1.8479389314144947
Energy: 1.9306451205173287
Energy: 1.9319470358814497
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Energy: 2.1402908226597113
Energy: 1.8479389314144947
Energy: 1.9306451205182118
Energy: 1.9319470358823327
Energy: 1.847948242528939
Energy: 1.8499125257717552
Energy: 1.8479715223269968
Energy: 1.808100829933537
Energy: 2.0746896119670812
Energy: 1.8960055269327636
Energy: 1.9529578357807962
Energy: 1.8499125257717552
Energy: 1.8479715223269968
Energy: 1.808100829933537
Energy: 2.0746896119679645
Energy: 2.0942805473757238
Energy: 2.0847674341552698
Energy: 1.9371862069764354
Energy: 2.110808600812407
Energy: 1.8961535199206017
Energy: 2.45308482886795
Energy: 2.094280547376606
Energy: 2.0847674341755833
Energy: 1.9371862069764354
Energy: 2.1108086008115237
Energy: 2.0747045950798126
Energy: 2.1267965513543468
Energy: 2.0784067998982527
Energy: 2.132622615078829
Energy: 1.9011327937366926
Energy: 1.8488530870390427
Energy: 2.0747046090874446
Energy: 2.126796551361412
Energy: 2.0784067998982527
Energy: 2.1326226150797125
Energy: 1.8487381949264265
Energy: 2.133548520075481
Energy: 2.0295694592673414
Energy: 1.95693343805502
Energy: 1.8088604257590533
Energy: 1.84904785398827
Energy: 1.8487381949273098
Energy: 2.133548520075481
Energy: 2.0295694592673414
Energy: 1.9569334380541368
Energy: 1.8491628145102497
Energy: 1.9763039940961231
Energy: 2.1317756745621512
Energy: 1.8479338800716916
Energy: 2.204994869011592
Energy: 1.9317064238878363
Energy: 1.8491628145075998
Energy: 1.976303994087291
Energy: 2.1317756745621512
Energy: 1.8479338800699252
Energy: 2.0738992136948227
Energy: 1.8974404784834666
Energy: 1.9289835364631118
Energy: 1.9645548114224545
Energy: 1.8487249903645664
Energy: 1.8084366335136486
Energy: 2.0738992136948227
Energy: 1.8974404784843497
Energy: 1.9289835364631118
Energy: 1.964554811424221
Energy: 2.0042247739727084
Energy: 1.8956212296394528
Energy: 2.4252960549571165
Energy: 2.12050365688023
Energy: 2.4251047073383267
Energy: 1.8956570742600587
Energy: 2.004224774024818
Energy: 1.8956212296394528
Energy: 2.4252960549571165
Energy: 2.12050365688023

minimum gb energy = 1.8080902853352296 eV
minimum distance =  2.40459254397816 Angstroms
sigma value = 41


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

Energy: 2.7408711452005776
Energy: 2.1140398132447107
Energy: 1.8962628870952503
Energy: 1.9419221003490894
Energy: 1.9580019510078346
Energy: 2.1922766095469477
Energy: 2.7408711451995806
Energy: 2.1140398132478255
Energy: 1.8962628870948766
Energy: 2.3503943280730764
Energy: 2.080276195836838
Energy: 1.985863881168513
Energy: 1.9356945449600054
Energy: 1.987452695018486
Energy: 1.9592758799011838
Energy: 1.8295601008111064
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Energy: 1.98586388117194
Energy: 1.9356945449613758
Energy: 1.9874526950219127
Energy: 1.8112812616554577
Energy: 1.8071682216915923
Energy: 2.0343993739460773
Energy: 1.9216849068705784
Energy: 1.9500868054066
Energy: 1.9932799301318427
Energy: 1.8112812616554577
Energy: 1.8071682216881657
Energy: 2.034399373949504
Energy: 1.9216849068705784
Energy: 1.9796525345333364
Energy: 1.8130341301813555
Energy: 1.8293074142620251
Energy: 1.967849611910229
Energy: 2.0507756035729576
Energy: 1.9380653108871326
Energy: 1.9796525345401899
Energy: 1.8130341301813555
Energy: 1.8293074142585986
Energy: 1.967849611910229
Energy: 2.0763509978107133
Energy: 2.5704195040293407
Energy: 1.9670276524406531
Energy: 1.9035907986230807
Energy: 1.9927875220220133
Energy: 1.9397030183059278
Energy: 2.076350997812769
Energy: 2.5704195040307116
Energy: 1.9670276524416501
Energy: 1.9035907986234544
Energy: 2.1076772810975957
Energy: 1.9050395699136242
Energy: 1.9112852626772883
Energy: 1.9426556458306945
Energy: 2.003515674788748
Energy: 1.9011889744561679
Energy: 2.1076772807037045
Energy: 1.9050395699153686
Energy: 1.9112852626772883
Energy: 1.942655645828327
Energy: 2.043477412337517
Energy: 1.8072253783252081
Energy: 1.809444457592746
Energy: 2.0998878043059874
Energy: 1.888834091584658
Energy: 1.9090130882029268
Energy: 2.04347741233409
Energy: 1.8072253783252081
Energy: 1.809444457592746
Energy: 2.0998878043059874
Energy: 1.939483358236781
Energy: 1.8535701912190778
Energy: 1.794125636841807
Energy: 1.8354191636919548
Energy: 1.9602180200744008
Energy: 2.0295069618340094
Energy: 1.939483358230239
Energy: 1.8535701912156513
Energy: 1.794125636841807
Energy: 1.8354191636953816
Energy: 1.9487827000861135
Energy: 2.082752330299284
Energy: 1.8680806789585553
Energy: 1.9662046877593402
Energy: 1.7982727537099976
Energy: 2.0660079755499847
Energy: 1.948782700082687
Energy: 2.082752330297914
Energy: 1.8680806789630413
Energy: 1.9662046877627049
Energy: 1.8687249243626172
Energy: 1.800030609999645
Energy: 1.934586538693798
Energy: 2.445858974888525
Energy: 1.9355620028575011
Energy: 2.0185551372660844
Energy: 1.8687249243626172
Energy: 1.8000306099756578
Energy: 1.9345865386924272
Energy: 2.445858974888525
Energy: 1.9569144479631932
Energy: 2.042398344852381
Energy: 1.809570052967065
Energy: 1.807503156769785
Energy: 2.0222825563695666
Energy: 1.8629514661990287
Energy: 1.956914447980265
Energy: 2.0423983448489547
Energy: 1.809570052967065
Energy: 1.807503156766358
Energy: 1.9699822237423974
Energy: 1.9023137985370622
Energy: 1.8069043571323098
Energy: 1.8085822696326832
Energy: 1.8310940900467183
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Energy: 1.9699822237423974
Energy: 1.9023137985373737
Energy: 1.8069043571220293
Energy: 1.8085822696326832
Energy: 1.9425776851808663
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Energy: 2.4971788750429034
Energy: 1.964870554967802
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Energy: 1.797204180948078
Energy: 1.9425776851740129
Energy: 1.9355664528093095
Energy: 2.4971788750429034
Energy: 1.9648705549674286
Energy: 2.016045150643838
Energy: 1.867226700976032
Energy: 1.9311688378947423
Energy: 1.9649863231921436
Energy: 2.584550301141081
Energy: 1.9358621817747035
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Energy: 1.9311688378913154
Energy: 1.964986323201427
Energy: 1.9835612374107674
Energy: 1.9700139459348802
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Energy: 1.8071771518051405
Energy: 2.055045833356397
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Energy: 1.9700139459348802
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Energy: 1.9680946390181295
Energy: 1.9014012570608132
Energy: 1.99223650436855
Energy: 1.8077828359515085
Energy: 1.8070622655857833
Energy: 1.8265300666145963
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Energy: 1.99223650436855
Energy: 1.8077828359480816
Energy: 1.8624825174687871
Energy: 1.9525091792887856
Energy: 1.938768098645719
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Energy: 1.9525091792887856
Energy: 1.9387680986453448
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Energy: 1.9431343425836125
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Energy: 1.908963225838247
Energy: 1.8835768734801375
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Energy: 1.932761872695136
Energy: 1.9089632258416735
Energy: 1.9475607461632976
Energy: 1.9796381747453893
Energy: 1.9633079824091475
Energy: 1.8274233493124417
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Energy: 1.8062839813698701
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Energy: 1.9796381747453893
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Energy: 1.8274233493124417
Energy: 1.8321529628965438
Energy: 1.9586685834581143
Energy: 1.9230119496255422
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Energy: 1.807815651378059
Energy: 1.8084168066123572
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Energy: 1.9586685834546878
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Energy: 2.0706469957161353
Energy: 1.8002266202997588
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Energy: 2.08345511388107
Energy: 1.9226051209258812
Energy: 1.8002266203031856
Energy: 1.8681846213959241
Energy: 2.0157345055960385
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Energy: 2.2982652170338196
Energy: 1.935973271666656
Energy: 2.0614712971574596
Energy: 1.800379535459793
Energy: 1.9859810208527187
Energy: 1.8726479040739858
Energy: 2.298265217034816
Energy: 1.9359732716673412
Energy: 2.061471297154033
Energy: 1.800379535459793
Energy: 1.9796915289011658
Energy: 1.9535829540583511
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Energy: 1.9587092758087274
Energy: 1.8294754243164018
Energy: 1.8074544663987502
Energy: 1.9729532385675677
Energy: 1.9535829540621517
Energy: 1.9788894941970716
Energy: 1.9587092758121543
Energy: 1.807448206241334
Energy: 1.9911057236281735
Energy: 1.9651664486835265
Energy: 1.9001806438396462
Energy: 2.072842238867603
Energy: 1.812126538207068
Energy: 1.807448206241334
Energy: 1.9911057236316003
Energy: 1.9651664486869533
Energy: 1.9001806725740713
Energy: 2.055640740069042
Energy: 2.2392856933798515
Energy: 1.868879079014501
Energy: 2.0206590324440885
Energy: 1.9390363929652048
Energy: 1.9557785004505583
Energy: 2.0556407400875467
Energy: 2.2392856933935583
Energy: 1.868879079011074
Energy: 2.0206590324475155
Energy: 1.9994096590793806
Energy: 2.302597681900368
Energy: 1.937121786684836
Energy: 1.9839969619557187
Energy: 1.9974982418675589
Energy: 1.9179900551384677
Energy: 1.9994096584388856
Energy: 2.30259768190068
Energy: 1.9371217866837769
Energy: 1.9839969619557187
Energy: 1.7710356804744902
Energy: 1.9847060113682862
Energy: 1.9416011732870875
Energy: 1.9868528430991839
Energy: 1.962841069185423
Energy: 1.8327246113533804
Energy: 1.7710356804744902
Energy: 1.9847060113682862
Energy: 1.9416011733059035
Energy: 1.9868528430991839
Energy: 1.8070104505016187
Energy: 1.8088348631930424
Energy: 2.0390403110268585
Energy: 1.8686400812739785
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Energy: 1.8070104505016187
Energy: 1.8088348631930424
Energy: 2.0390403110234314
Energy: 1.8686400812739785
Energy: 2.0471764733974323
Energy: 1.8636197311152474
Energy: 1.8889190605680104
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Energy: 1.9387833656892306
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Energy: 1.88891906055773
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Energy: 2.0808499890107575
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Energy: 2.0893301343511936
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Energy: 2.293243195011105
Energy: 1.9415366154755154
Energy: 1.8279183297249708
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Energy: 1.8106464912703049
Energy: 1.8141412193159139
Energy: 2.0452784772612143
Energy: 1.9541466796617766
Energy: 1.9490585002374494
Energy: 2.0429160344561277
Energy: 1.8106464912703049
Energy: 1.814141219319341
Energy: 2.0452784772612143
Energy: 1.9366404458861142
Energy: 1.87238506450191
Energy: 1.9590524570590935
Energy: 1.835656829550781
Energy: 1.9603596078040384
Energy: 2.0352489139658867
Energy: 1.9366404458864257
Energy: 1.872384866255186
Energy: 1.9590524570577228
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Energy: 1.9606465319476727
Energy: 2.0273495841324447
Energy: 2.567619243123441
Energy: 1.9660595735151167
Energy: 1.9025753602905158
Energy: 2.0726821070902415
Energy: 1.9606465319514732
Energy: 2.0273495841307625
Energy: 2.5676192431245
Energy: 1.9660595735148052
Energy: 1.9658299823576717
Energy: 1.891979952084388
Energy: 1.8985295283014392
Energy: 1.9835577605167873
Energy: 1.9474555219265186
Energy: 2.0004941243578402
Energy: 1.9658299823508183
Energy: 1.8919799521255092
Energy: 1.8985295283011279
Energy: 1.9835577605167873
Energy: 1.9866606770395512
Energy: 2.0430271573482766
Energy: 1.8298461746324526
Energy: 1.8072398984491786
Energy: 2.025511427698427
Energy: 1.9018813556976066
Energy: 1.9866606770361246
Energy: 2.04302715734485
Energy: 1.8298461746324526
Energy: 1.807239898445752
Energy: 2.0550669333463483
Energy: 1.9474418496351298
Energy: 1.9603300558372247
Energy: 1.7843235706766012
Energy: 1.8372843527724811
Energy: 1.962215432390919
Energy: 2.055066933349775
Energy: 1.9474418496323882
Energy: 1.9603300558372247
Energy: 1.7843235706766012
Energy: 2.0040014612234764
Energy: 1.936033584565755
Energy: 2.153517589586646
Energy: 2.351240733487099
Energy: 2.039771909864772
Energy: 1.993229283360346
Energy: 2.0040014612234764
Energy: 1.936033584565755
Energy: 2.1535175895863343
Energy: 2.3512407328489715
Energy: 1.9971371807693294
Energy: 1.910411391013104
Energy: 2.186196400812282
Energy: 1.9810200464664667
Energy: 1.9110949966026571
Energy: 1.9389945283894217
Energy: 1.9971371807693294
Energy: 1.910411391013104
Energy: 2.186196401332964
Energy: 1.9810200464657814

minimum gb energy = 1.7710356804744902 eV
minimum distance =  2.4178437383685 Angstroms
sigma value = 185


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

Energy: 1.991112273110451
Energy: 2.1094035490482392
Energy: 2.0350745532666217
Energy: 2.3708613508829366
Energy: 2.0270080619232056
Energy: 2.452251384794201
Energy: 1.9911122731108577
Energy: 2.1094035490474257
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Energy: 2.251560975563423
Energy: 2.0895859882854366
Energy: 1.750834836357551
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Energy: 1.7507438043671224
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Energy: 2.006003740045014
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Energy: 1.9911122731120778
Energy: 2.1094035490478324
Energy: 2.0350745532649945
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Energy: 2.0270080619219852
Energy: 1.7550313131414155
Energy: 1.991112273111671
Energy: 1.7521971719962435
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Energy: 1.9619022662596588
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Energy: 1.712584707250103
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Energy: 1.9619022662584389
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Energy: 2.0260072313966138
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Energy: 2.4693165749853434
Energy: 1.7506167188671011
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Energy: 2.2106579704735894
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Energy: 2.052467431139422
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Energy: 1.9600239679994722
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Energy: 2.0915358711213896
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Energy: 2.4057961046372953
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Energy: 2.4701867506352655
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Energy: 2.121130406679283
Energy: 1.9139498848650576
Energy: 2.4701444862680186
Energy: 1.7514948860376613
Energy: 1.996473843456759
Energy: 2.030364095135218
Energy: 1.8025967960913112
Energy: 1.9139498848528542
Energy: 2.470144486270052
Energy: 1.7514948860376613
Energy: 2.4064366592907387
Energy: 2.013419663214248
Energy: 1.9609661010408574
Energy: 2.089083946431974
Energy: 1.7510161543249423
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Energy: 2.406436659290332
Energy: 2.013419663214248
Energy: 1.960966101527546
Energy: 2.0890839464323805
Energy: 2.210889028142394
Energy: 2.055470290695743
Energy: 2.052754100017762
Energy: 1.7124210719998496
Energy: 1.7516661238480464
Energy: 1.7507438043671224
Energy: 2.2108890281452416
Energy: 2.0554702906973703
Energy: 2.0527541000145075
Energy: 1.7124210720006632
Energy: 2.4697069262836253
Energy: 2.1056194049006987
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Energy: 2.025830888397255
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Energy: 2.2106579704735894
Energy: 1.750987790282705
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Energy: 1.7509877902839255
Energy: 1.7513612741301863
Energy: 1.71231092141487
Energy: 2.4057961046372953
Energy: 1.7125717518342323
Energy: 1.7512347352905213
Energy: 2.0915358711230168
Energy: 1.9600239679986586
Energy: 2.016419148790067
Energy: 2.405796104636888
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Energy: 1.751234735278355
Energy: 2.0915358711238303
Energy: 1.7858485112783617
Energy: 2.035194844413554
Energy: 2.1365510232336655
Energy: 1.751241392968361
Energy: 2.470186750712109
Energy: 1.9149902394350578
Energy: 1.9084225345703607
Energy: 2.035194844411927
Energy: 2.136551023228784
Energy: 1.7512413929687678
Energy: 1.7514948860376613
Energy: 1.996473843458386
Energy: 2.030364095136438
Energy: 2.0770795406816673
Energy: 1.9139498848227898
Energy: 2.4701444862680186
Energy: 1.7514948860372548
Energy: 1.996473843458386
Energy: 2.0303640951368447
Energy: 1.753558662541968
Energy: 2.0890839464291266
Energy: 1.7510161543208744
Energy: 1.7125732529225715
Energy: 2.406436659290332
Energy: 2.0134196632195365
Energy: 1.960966101465753
Energy: 2.089083946430347
Energy: 1.7510161543241287
Energy: 1.7125732529225715
Energy: 2.4064366592907387
Energy: 1.7124210720006632
Energy: 1.7516661238480464
Energy: 1.7507438043667156
Energy: 2.2108890281456484
Energy: 2.055470290698554
Energy: 2.052754100015728
Energy: 1.7124210720002562
Energy: 1.7516661238460127
Energy: 1.7507438043679355
Energy: 2.210889028143615
Energy: 2.0258308883956277
Energy: 2.13737143477712
Energy: 1.7505848126718166
Energy: 2.4697069262848457
Energy: 2.1056194023176
Energy: 1.751988553032763
Energy: 2.0258308883960345
Energy: 2.1373714347775272
Energy: 1.7505848126714099
Energy: 2.469706926286066
Energy: 1.752130471025503
Energy: 1.712704621831164
Energy: 1.7511265598803416
Energy: 2.089360038232983
Energy: 1.9619022662612862
Energy: 1.7506507431170555
Energy: 1.752130471025503
Energy: 1.7127046218323845
Energy: 1.751126559879528
Energy: 2.089360038232983

minimum gb energy = 1.7123109214140566 eV
minimum distance =  2.40602528589387 Angstroms
sigma value = 33


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

Energy: 2.1259574029280564
Energy: 2.2559973465090124
Energy: 2.096584299102006
Energy: 2.3836766922320054
Energy: 2.095549829290015
Energy: 2.256153416662627
Energy: 2.1259574029280564
Energy: 2.2559973465090124
Energy: 2.096584299104239
Energy: 2.3794398525660903
Energy: 2.244366523471189
Energy: 2.108749881554288
Energy: 2.096547182070719
Energy: 1.9944133471941778
Energy: 1.9177181282721212
Energy: 2.0059856995143424
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Energy: 1.9944133471941778
Energy: 2.2995786086572503
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Energy: 1.9292765186447725
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Energy: 2.2995786086572503
Energy: 1.8740993812328417
Energy: 2.1549505573995686
Energy: 2.124176879309319
Energy: 2.1289197809799125
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Energy: 1.966013705121102
Energy: 2.079850996916219
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Energy: 2.0798509969139856
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Energy: 2.0673076129002173
Energy: 2.180241216076254
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Energy: 2.0831390474793143
Energy: 1.9649964647720173
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Energy: 2.067307431221388
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Energy: 2.1415610187484
Energy: 1.894227359658481
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Energy: 1.995084975226974
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Energy: 2.2386899775045
Energy: 2.1796919113287467
Energy: 1.921444421605224
Energy: 1.959743116918822
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Energy: 1.8759273732833306
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Energy: 1.9597431169210553
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Energy: 2.195437998560878
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Energy: 2.0787888095156
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Energy: 1.9621470850023879
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Energy: 2.1138254235204412
Energy: 2.0787888095156
Energy: 1.8758769709495942
Energy: 2.049114864026718
Energy: 2.0882978652068473
Energy: 1.9632580003924707
Energy: 1.8771764763459222
Energy: 2.0607475198009793
Energy: 2.1707395862136956
Energy: 2.0491148640244847
Energy: 2.088297865204614
Energy: 1.9632580003947038
Energy: 1.8771765840331516
Energy: 1.9293269196369949
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Energy: 2.134499221920843
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Energy: 2.134499221920843
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Energy: 1.918750557444094
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Energy: 2.088520693213532
Energy: 2.129675916182134
Energy: 2.2414211853501054
Energy: 2.031856477474448
Energy: 1.918750557441861
Energy: 1.9947482219500554
Energy: 2.0885206932112985
Energy: 2.1296759166732087
Energy: 2.098698865588282
Energy: 2.12639237460783
Energy: 2.088021875009499
Energy: 2.261835797384601
Energy: 2.083371503609606
Energy: 2.1907657334699095
Energy: 2.098698865586049
Energy: 2.12639237460783
Energy: 2.088021875009499
Energy: 2.261835797382368
Energy: 2.1106366999831883
Energy: 1.9970343218394904
Energy: 1.916148570890364
Energy: 1.9595947881676126
Energy: 2.0704346654307533
Energy: 2.090128903423801
Energy: 2.1106366999831883
Energy: 1.9970343218372575
Energy: 1.916148570888131
Energy: 1.9595947881698454
Energy: 1.9953247829408387
Energy: 2.1371397184775742
Energy: 1.9215033087348021
Energy: 1.961300392628852
Energy: 1.934728910261093
Energy: 1.8731374359138615
Energy: 1.9953247829408387
Energy: 2.137139718475342
Energy: 1.9215033087370352
Energy: 1.9613003926310442
Energy: 1.9619882801043187
Energy: 2.076124364892329
Energy: 2.1952513060863903
Energy: 2.103151522139863
Energy: 2.1644417813568326
Energy: 1.882960962907993
Energy: 1.9619882801065516
Energy: 2.076124364892329
Energy: 2.1952513060863903
Energy: 2.1031515221487957
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Energy: 2.0687676740667413
Energy: 2.0898651986318124
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Energy: 1.915902823792414
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Energy: 2.1767220138346692
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Energy: 1.880269153533498
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Energy: 2.226575903420839
Energy: 2.1769018037487875
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Energy: 1.9934062555776224
Energy: 1.880269153533498
Energy: 2.2161382424993987
Energy: 2.092285025891275
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Energy: 2.333189979473736
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Energy: 2.19283346017122
Energy: 2.092285025889042
Energy: 1.9926587313624016
Energy: 2.230764361491724
Energy: 2.333189979473736
Energy: 2.095314526558387
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Energy: 1.9306458368624717
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Energy: 1.9073250129443549
Energy: 2.0868723735177594
Energy: 2.09531452656062
Energy: 2.0237518336257994
Energy: 1.9306458368624717
Energy: 1.9596420017385285
Energy: 2.397241217031602
Energy: 2.1137412337609343
Energy: 2.0301446696461465
Energy: 1.9602013304539812
Energy: 1.9087253561678865
Energy: 1.8725773706641886
Energy: 2.397241217031602
Energy: 2.1137412337609343
Energy: 2.0301446696439136
Energy: 1.9602013304539812
Energy: 1.9627240539903485
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Energy: 2.1198189634054514
Energy: 1.9627240539903485
Energy: 2.086153043721564
Energy: 2.1970626833248947
Energy: 2.0784365112291714

minimum gb energy = 1.8708360624334484 eV
minimum distance =  2.34314472978487 Angstroms
sigma value = 219


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

Energy: 1.8712343403858995
Energy: 1.8396689484561934
Energy: 1.8326583174603
Energy: 1.8680782390040624
Energy: 1.8323155777605318
Energy: 1.839705974223205
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Energy: 1.8908400934598804
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Energy: 1.832697724064174
Energy: 1.8397673009405964
Energy: 1.7325711525585614
Energy: 1.9632784214164711
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Energy: 1.8331530636074702
Energy: 1.8326977240626963
Energy: 1.8331104516758494
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Energy: 1.8703649287687085
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Energy: 1.8399166790969077
Energy: 2.130694999013556
Energy: 1.8349729125408074
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Energy: 1.8340160974405404
Energy: 1.8322350771792226
Energy: 1.9172905457867637
Energy: 1.6898207072058131
Energy: 1.8349729125408074
Energy: 1.856865196658128
Energy: 1.8340160974420183
Energy: 1.8322350771792226
Energy: 1.8720627655118447
Energy: 1.6902743669788165
Energy: 1.8913994091886195
Energy: 1.8327998171368565
Energy: 1.834236132878373
Energy: 1.870457099675069
Energy: 1.8720627655103665
Energy: 1.6902743669788165
Energy: 1.8913994091886195
Energy: 1.8327998171383344
Energy: 1.8325510881659872
Energy: 1.8328700209891593
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Energy: 2.304831435128538
Energy: 1.7335684805682277
Energy: 1.839756132693004
Energy: 1.8325510881659872
Energy: 1.8651466651376223
Energy: 1.832497132283214
Energy: 2.304831435128538

minimum gb energy = 1.6898110964977957 eV
minimum distance =  2.49582117054139 Angstroms
sigma value = 15


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

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Energy: 2.1432942861776048
Energy: 1.9671457597418704
Energy: 2.4795675538069353
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Energy: 2.176001558201701
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Energy: 2.17600155819625
Energy: 1.9982989888843967
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Energy: 2.1127745736339714
Energy: 2.597763223309166
Energy: 2.0004091174542715
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Energy: 2.0004091174542715
Energy: 1.9323812626908352
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Energy: 2.141932076802497
Energy: 2.0623683148714975
Energy: 1.9658222356015485
Energy: 2.016342316053306
Energy: 1.9323812626935608
Energy: 2.0275178941514085
Energy: 2.141932076802497
Energy: 2.062368314874223
Energy: 1.9652771690159363
Energy: 2.0631005993967872
Energy: 2.1454431065145787
Energy: 2.0302272874046903
Energy: 1.935153742304432
Energy: 2.029755675772422
Energy: 1.9652771690213382
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minimum gb energy = 1.93125170729484 eV
minimum distance =  2.42480435306117 Angstroms
sigma value = 293


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

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Energy: 2.3989147200248824
Energy: 2.233137213850218
Energy: 2.061650341608305
Energy: 2.0581507076452596
Energy: 2.060864219286845
Energy: 2.233469041076971
Energy: 2.3989147200262178
Energy: 2.2331372138488823
Energy: 2.061650341608639
Energy: 2.0581507076442582
Energy: 1.9556605464415915
Energy: 2.4399462631039937
Energy: 2.061149574727293
Energy: 2.0487615823611747
Energy: 2.115413527018563
Energy: 2.18068300099811
Energy: 1.9556605464576151
Energy: 2.439946263104661
Energy: 2.0611495747266253
Energy: 2.048761582362176
Energy: 2.252166252279565
Energy: 2.1214894063575613
Energy: 2.1626100018933045
Energy: 2.061412113023073
Energy: 2.0560259082678014
Energy: 1.9488088174070228
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Energy: 2.1626100018943055
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Energy: 2.1360221454645525
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Energy: 2.021016652633094
Energy: 2.3044654208134183
Energy: 2.19464641974338
Energy: 2.1238884960694717
Energy: 2.394377981320019
Energy: 1.9683172911612798
Energy: 2.021016652633094
Energy: 2.3044654208137523
Energy: 2.1946464197427122
Energy: 2.1238884960698057
Energy: 2.022092075889495
Energy: 2.0222271833762373
Energy: 2.057441897182839
Energy: 2.3221322978345156
Energy: 2.170165572905047
Energy: 2.0812100882206277
Energy: 2.022092075888827
Energy: 2.022227183376571
Energy: 2.0574418971831725
Energy: 2.3221322978345156
Energy: 2.066384086798932
Energy: 2.029943109622079
Energy: 2.1499839079357477
Energy: 2.1784669048995
Energy: 2.1403671695677193
Energy: 2.23345437137806
Energy: 2.066384086798932
Energy: 2.029943109621411
Energy: 2.1499839079350798
Energy: 2.178466904899166
Energy: 2.0637217357871016
Energy: 2.1431823909502046
Energy: 2.1426338309416066
Energy: 2.063651606002556
Energy: 2.0059863933114044
Energy: 2.005722308736415
Energy: 2.0637217357871016
Energy: 2.1431823909505385
Energy: 2.1426338309412727
Energy: 2.063651606002556
Energy: 2.178260536194922
Energy: 2.1499946356303563
Energy: 2.0299008195186032
Energy: 2.0658198514961765
Energy: 2.209555785043727
Energy: 2.1402113772058313
Energy: 2.1782605361962575
Energy: 2.14999463563069
Energy: 2.0299008195182693
Energy: 2.0658198514961765
Energy: 2.322216042580653
Energy: 2.0577601712245053
Energy: 2.0217123664384915
Energy: 2.022782919133389
Energy: 2.0810164726593467
Energy: 2.1690469692211964
Energy: 2.3222160425809864
Energy: 2.0577601712248392
Energy: 2.021712366439159
Energy: 2.022782919132721
Energy: 2.1239962784461355
Energy: 2.194351996957868
Energy: 2.3044654208147537
Energy: 2.021059298755173
Energy: 1.9682557045834648
Energy: 2.3943779813196855
Energy: 2.123996278447137
Energy: 2.194351996957868
Energy: 2.3044654208150877
Energy: 2.021059298755507
Energy: 2.2025678834340936
Energy: 2.247851141772061
Energy: 2.130566930403771
Energy: 2.2635833918794503
Energy: 2.064207230151151
Energy: 2.137791496962734
Energy: 2.2025678834337596
Energy: 2.2478511417717275
Energy: 2.130566930403771
Energy: 2.263583391881787

minimum gb energy = 1.9487361759039667 eV
minimum distance =  2.43832107209982 Angstroms
sigma value = 293


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

Energy: 1.7936213668458365
Energy: 2.209611088458893
Energy: 1.8149650642843151
Energy: 2.485033242680087
Energy: 1.8148441294230095
Energy: 2.2095278038401216
Energy: 1.7936213668458365
Energy: 2.209611088458893
Energy: 1.8149650642843151
Energy: 2.133019356215456
Energy: 1.8153405646675937
Energy: 2.3776541284560393
Energy: 1.8105427901273436
Energy: 2.4024018276546135
Energy: 2.5730940439879353
Energy: 2.0176814849517464
Energy: 1.8153405646675937
Energy: 2.135228622373048
Energy: 1.810542790127947
Energy: 2.4118229371524675
Energy: 1.8403242841909828
Energy: 1.7930084951354894
Energy: 2.347769950200863
Energy: 1.79293061467114
Energy: 1.8550194415602421
Energy: 1.8144709398292587
Energy: 1.8403242841909828
Energy: 1.7930084951354894
Energy: 2.3477699502002594
Energy: 1.79293061467114
Energy: 2.3478674365041314
Energy: 1.7929648450798334
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Energy: 2.3478674365047345
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Energy: 1.7936213668458365
Energy: 2.2096110884594955
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Energy: 1.7936213668458365
Energy: 2.209611088460099
Energy: 2.5730940439879353
Energy: 2.0176814849511433
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Energy: 2.5730940439879353
Energy: 2.0176814849511433
Energy: 1.8153405646675937
Energy: 2.135224397965366
Energy: 1.8550194415602421
Energy: 1.8144709398292587
Energy: 1.8403242841891727
Energy: 1.7930084951354894
Energy: 2.347769950200863
Energy: 1.79293061467114
Energy: 1.8550194415602421
Energy: 1.8144709398292587
Energy: 1.840324284189776
Energy: 1.7930084951354894
Energy: 1.8551089688708633
Energy: 1.7927759731572503
Energy: 2.3478674365059415
Energy: 1.7929648450798334
Energy: 1.8402491104252245
Energy: 1.814431162843858
Energy: 1.8551089688762934
Energy: 1.7927759731578536
Energy: 2.347867436505338
Energy: 1.7929648450798334
Energy: 2.573137345502643
Energy: 2.382230904426033
Energy: 1.8107217554641295
Energy: 2.4567431892901475
Energy: 1.8154809915778751
Energy: 2.017472968736834
Energy: 2.573137345502643
Energy: 2.141270059059453
Energy: 1.8107217554647328
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Energy: 1.8149650642849184
Energy: 2.1884710309949162
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Energy: 1.7936213668452332
Energy: 2.2096110884594955
Energy: 1.8149650642843151
Energy: 2.2871380342791334
Energy: 1.8148441294230095
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Energy: 1.8105427901273436
Energy: 2.4118229371524675
Energy: 2.5730940439873318
Energy: 2.0176814849517464
Energy: 1.8153405646675937
Energy: 2.487993445297384
Energy: 1.810542790127947
Energy: 2.4118229371524675
Energy: 2.5730940439879353
Energy: 2.0176814849511433
Energy: 2.347769950200863
Energy: 1.79293061467114
Energy: 1.8550194415602421
Energy: 1.8144709398292587
Energy: 1.8403242841903795
Energy: 1.7930084951354894
Energy: 2.3477699502002594
Energy: 1.79293061467114
Energy: 1.8550194415596388
Energy: 1.8144709398286551
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Energy: 1.8144311628432548
Energy: 1.8551089688726734
Energy: 1.7927759731578536
Energy: 2.347867436502925
Energy: 1.7929648450798334
Energy: 1.840249110425828
Energy: 1.8144311628432548
Energy: 1.8551089688756903
Energy: 1.7927759731578536
Energy: 1.8154809915772718
Energy: 2.017472968737438
Energy: 2.573137345502643
Energy: 2.141270059060057
Energy: 1.8107217554641295
Energy: 2.188872478410787
Energy: 1.8154809915778751
Energy: 2.017472968736231
Energy: 2.573137345502643
Energy: 2.141270059059453
Energy: 1.7936213668452332
Energy: 2.209611088458893
Energy: 1.8149650642849184
Energy: 2.1884710309955198
Energy: 1.8148441294230095
Energy: 2.209527803840725
Energy: 1.7936213668458365
Energy: 2.2096110884594955
Energy: 1.8149650642843151
Energy: 2.346662813086489
Energy: 1.8153405646675937
Energy: 2.5404674849722464
Energy: 1.810542790127947
Energy: 2.411822937153674
Energy: 2.5730940439879353
Energy: 2.0176814849505402
Energy: 1.815340564668197
Energy: 2.4879934456399195
Energy: 1.8105427901273436
Energy: 2.4118229371530706
Energy: 1.840324284189776
Energy: 1.7930084951354894
Energy: 2.347769950200863
Energy: 1.79293061467114
Energy: 1.8550194415602421
Energy: 1.8144709398292587
Energy: 1.8403242841891727
Energy: 1.7930084951354894
Energy: 2.347769950200863
Energy: 1.79293061467114
Energy: 2.3478674365041314
Energy: 1.7929648450798334
Energy: 1.8402491104270347
Energy: 1.8144311628432548
Energy: 1.8551089688787068
Energy: 1.7927759731572503
Energy: 2.3478674365047345
Energy: 1.7929648450798334
Energy: 1.840249110425828
Energy: 1.8144311628432548
Energy: 1.8107217554641295
Energy: 2.1888666105812207
Energy: 1.8154809915778751
Energy: 2.017472968737438
Energy: 2.573137345502643
Energy: 2.141270059059453
Energy: 1.8107217554641295
Energy: 2.188915761794575
Energy: 1.8154809915778751
Energy: 2.017472968737438
Energy: 1.8148441294230095
Energy: 2.209527803840725
Energy: 1.7936213668458365
Energy: 2.2096110884594955
Energy: 1.8149650642843151
Energy: 2.1884710309961224
Energy: 1.8148441294224062
Energy: 2.209527803839518
Energy: 1.7936213668452332
Energy: 2.209611088460099
Energy: 2.5730940439879353
Energy: 2.0176814849523503
Energy: 1.8153405646675937
Energy: 2.5404685417098394
Energy: 1.810542790127947
Energy: 2.4118229371530706
Energy: 2.5730940439879353
Energy: 2.0176814849517464
Energy: 1.8153405646675937
Energy: 2.4879934454656625

minimum gb energy = 1.7927759731572503 eV
minimum distance =  2.3958485830998 Angstroms
sigma value = 15


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

Energy: 2.584531630476631
Energy: 2.1071163026669955
Energy: 2.105982815035159
Energy: 2.421458945910931
Energy: 2.1059864020844987
Energy: 2.1075249020885107
Energy: 2.584531630476631
Energy: 2.1071163026669955
Energy: 2.105982815035159
Energy: 2.380871884656002
Energy: 2.1815671058238744
Energy: 2.33339001662624
Energy: 2.107182605039732
Energy: 2.0748578778415956
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Energy: 2.0887806464528267
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Energy: 2.0803551650147973
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Energy: 1.9911481586030664
Energy: 2.130223355571081
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Energy: 2.0437058941233195
Energy: 2.096205168814529
Energy: 2.3419856335184344
Energy: 1.9911481586030664
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Energy: 2.0388541202176516
Energy: 2.0437058941233195
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Energy: 2.2595896708113568
Energy: 2.1053151436326716
Energy: 2.3450845345234215
Energy: 2.133367826325307
Energy: 2.1665554870077615
Energy: 2.263272665647598
Energy: 2.2595896708113568
Energy: 2.1053151436326716
Energy: 2.3450845345234215
Energy: 1.9916964754149138
Energy: 2.2982570643379967
Energy: 2.0930518148961292
Energy: 2.086235948050162
Energy: 2.299572670999306
Energy: 2.1473369122463097
Energy: 1.9916964754149138
Energy: 2.2982570643379967
Energy: 2.0930518148961292
Energy: 2.086235948047427
Energy: 2.095334720752018
Energy: 2.1222547261365143
Energy: 2.4159775357735844
Energy: 2.1018463727389336
Energy: 2.020712816401105
Energy: 2.276934771069331
Energy: 2.095334720752018
Energy: 2.1222547261365143
Energy: 2.4159775357735844
Energy: 2.1018463727389336
Energy: 2.2431744691560493
Energy: 2.1188561738993203
Energy: 2.0611276278084127
Energy: 2.0105695624373907
Energy: 2.1032376758669904
Energy: 2.096527095797683
Energy: 2.243174469153365
Energy: 2.1188561738965856
Energy: 2.0611276278084127
Energy: 2.0105695624346556
Energy: 2.026683556796051
Energy: 2.1637260447824054
Energy: 2.092413559489284
Energy: 2.2818720479522767
Energy: 2.102323458558523
Energy: 2.0987593522209487
Energy: 2.026683556796051
Energy: 2.1637260447824054
Energy: 2.092413559489284
Energy: 2.2818720479522767
Energy: 2.0268921975631704
Energy: 2.1318623976386886
Energy: 2.104897740577071
Energy: 2.0780054439093942
Energy: 2.054632552844715
Energy: 2.1876522986560594
Energy: 2.0268921975631704
Energy: 2.1318623976359534
Energy: 2.104897740577071
Energy: 2.078005443912079
Energy: 2.2178935938163846
Energy: 1.9960119132234257
Energy: 2.179116197351719
Energy: 2.0087502011606007
Energy: 2.076358491860242
Energy: 2.1222854037479353
Energy: 2.2178935938191193
Energy: 1.9960119132234257
Energy: 2.179116197351719
Energy: 2.0087502011606007
Energy: 2.1972441455123515
Energy: 2.1080644068206293
Energy: 2.013731692171294
Energy: 2.091732973569214
Energy: 2.3675489204535496
Energy: 2.119571187550618
Energy: 2.1972441455123515
Energy: 2.1080644068178946
Energy: 2.013731692174029
Energy: 2.091732973569214
Energy: 2.0432621171337657
Energy: 2.14267999961445
Energy: 2.2912039165641738
Energy: 2.0964927577298544
Energy: 2.0943543003945764
Energy: 2.2993341475764466
Energy: 2.0432621171365004
Energy: 2.14267999961445
Energy: 2.2912039165641738
Energy: 2.0964927577298544
Energy: 2.0953219780670564
Energy: 2.0537363353021028
Energy: 2.106756288896454
Energy: 2.2031603919728235
Energy: 2.107196926477633
Energy: 2.2738486223501946
Energy: 2.0953219780670564
Energy: 2.0537363352993676
Energy: 2.106756288896454
Energy: 2.2031603919728235
Energy: 2.1014761126806416
Energy: 2.2637303948274794
Energy: 2.087817844483489
Energy: 2.026641849922943
Energy: 2.038004975402622
Energy: 2.123074389721678
Energy: 2.1014761126806416
Energy: 2.2637303948274794
Energy: 2.087817844483489
Energy: 2.026641849922943
Energy: 2.032691911410334
Energy: 2.0904990581646166
Energy: 2.296126063686863
Energy: 2.116172219047578
Energy: 2.320666370716735
Energy: 2.081261019883952
Energy: 2.032691911413069
Energy: 2.0904990581646166
Energy: 2.296126063686863
Energy: 2.116172219047578
Energy: 2.2086763776403675
Energy: 2.005602133086081
Energy: 2.305514179417797
Energy: 2.11447334662094
Energy: 2.0619520737482406
Energy: 2.0266963908365536
Energy: 2.2086763776403675
Energy: 2.005602133086081
Energy: 2.305514179417797
Energy: 2.11447334662094
Energy: 2.1087144947136593
Energy: 2.1532903425173187
Energy: 2.0074397369424086
Energy: 2.0358332128443672
Energy: 2.0320577571350764
Energy: 2.108653691459369
Energy: 2.1087144947136593
Energy: 2.1532903425173187
Energy: 2.0074397369424086
Energy: 2.0358332128443672
Energy: 2.116475010741318
Energy: 2.193645659408614
Energy: 2.088627523669761
Energy: 2.0336521392029425
Energy: 2.0676467770110754
Energy: 2.2477125169132965
Energy: 2.116475010741318
Energy: 2.1936456594058793
Energy: 2.088627523669761
Energy: 2.0336521392002074
Energy: 2.1593023474272495
Energy: 2.085138189298227
Energy: 2.232959356146985
Energy: 2.2796646287070668
Energy: 2.104615943729649
Energy: 2.027570219238678
Energy: 2.1593023474272495
Energy: 2.085138189300962
Energy: 2.232959356146985
Energy: 2.2796646287070668
Energy: 2.4705056821009896
Energy: 2.106120428322384
Energy: 2.065733829766164
Energy: 2.114800358055799
Energy: 2.2593596984621125
Energy: 2.0900417758069025
Energy: 2.4705056821037243
Energy: 2.106120428322384
Energy: 2.065733829766164
Energy: 2.114800358055799
Energy: 2.0989299917339976
Energy: 2.1372504157506658
Energy: 2.139566629750116
Energy: 2.0609020609210122
Energy: 2.2973163698529206
Energy: 2.0427232177996553
Energy: 2.0989299917312625
Energy: 2.1372504157506658
Energy: 2.139566629750116
Energy: 2.0609020609182775
Energy: 2.0674969942383585
Energy: 2.02083914014559
Energy: 2.116069921840346
Energy: 2.2905311193138345
Energy: 2.0867140390119836
Energy: 2.227789728306475
Energy: 2.0674969942383585
Energy: 2.020839140142855
Energy: 2.116069921840346
Energy: 2.2905311193138345
Energy: 2.0121655261071747
Energy: 2.066797703176413
Energy: 2.0501089853734125
Energy: 2.1117901381047677
Energy: 2.0961795543964956
Energy: 2.0894196018166507
Energy: 2.0121655261071747
Energy: 2.0667977031791476
Energy: 2.0501089853734125
Energy: 2.1117901381075024
Energy: 2.074794602238812
Energy: 2.113035170890445
Energy: 2.1658347015458843
Energy: 2.0266934036523567
Energy: 2.1886038781878385
Energy: 2.0068991718622224
Energy: 2.074794602238812
Energy: 2.113035170890445
Energy: 2.1658347015458843
Energy: 2.0266934036523567

minimum gb energy = 1.9911481586030664 eV
minimum distance =  2.45017381130088 Angstroms
sigma value = 437


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

Energy: 2.3548632263980456
Energy: 2.2182975561585208
Energy: 2.0954242021037506
Energy: 2.3626560683321243
Energy: 2.14170724020786
Energy: 2.336129367452019
Energy: 2.3548632263980456
Energy: 2.2182975561605134
Energy: 2.0954242021037506
Energy: 2.3626560683311277
Energy: 2.1415409105421093
Energy: 2.326777661681689
Energy: 2.140472720806103
Energy: 2.071795336643405
Energy: 2.1938669520935825
Energy: 2.1371813489212017
Energy: 2.141540910543106
Energy: 2.326777661682685
Energy: 2.1404727208080963
Energy: 2.0717953366424084
Energy: 1.9355136759880907
Energy: 2.087550166162519
Energy: 2.0443770505392203
Energy: 2.0174775116084565
Energy: 2.022596810804664
Energy: 2.285072154974529
Energy: 1.9355136759880907
Energy: 2.0875501661615234
Energy: 2.044377057375424
Energy: 2.0174775116074604
Energy: 2.2857781344046355
Energy: 2.1391892165443047
Energy: 2.448835930582552
Energy: 2.0515793709299124
Energy: 2.0290728528841866
Energy: 2.146281299326927
Energy: 2.2857781344006503
Energy: 2.1391892165443047
Energy: 2.4488359305835483
Energy: 2.051579370928916
Energy: 1.9748653632694473
Energy: 2.0198517330808063
Energy: 2.0945823450175443
Energy: 2.2940760594928284
Energy: 2.04351666808947
Energy: 2.325761068803934
Energy: 1.974865363268451
Energy: 2.0270272989683233
Energy: 2.094582345016548
Energy: 2.2940760594928284
Energy: 2.002745908729334
Energy: 2.243331440615146
Energy: 2.114020588537985
Energy: 1.9633004728918921
Energy: 2.0566904398384627
Energy: 1.8684678264910648
Energy: 2.002745908728338
Energy: 2.2433314406161426
Energy: 2.114020588537985
Energy: 1.9633004728908958
Energy: 2.4342823911020575
Energy: 2.0427939521404825
Energy: 2.1579798255402154
Energy: 2.0476033031847107
Energy: 2.0712744951632627
Energy: 2.087097580078073
Energy: 2.434282391100065
Energy: 2.042793952141479
Energy: 2.1579798255402154
Energy: 2.047603303183714
Energy: 2.114850549457007
Energy: 2.1595408157864564
Energy: 2.411741327920388
Energy: 2.051616807869786
Energy: 2.0426337151834737
Energy: 2.139401588941055
Energy: 2.114850549457007
Energy: 2.15954081578546
Energy: 2.411741327920388
Energy: 2.051616807872775
Energy: 2.163424905070891
Energy: 2.0875803846618344
Energy: 2.437916334707614
Energy: 2.0365903589922834
Energy: 2.103351842450706
Energy: 2.062564396939965
Energy: 2.163424905068898
Energy: 2.087580384660838
Energy: 2.437916334707614
Energy: 2.0365903589903356
Energy: 2.1185730178183846
Energy: 2.0196991300819525
Energy: 2.0779981200811597
Energy: 1.9379730650226654
Energy: 2.143695386809048
Energy: 2.336390280313995
Energy: 2.118573017817388
Energy: 2.0196991300819525
Energy: 2.077998120080163
Energy: 1.9379730650226654
Energy: 2.337735384154239
Energy: 2.15505330669582
Energy: 2.1424133708791167
Energy: 2.063805754277465
Energy: 2.1711621248921906
Energy: 2.0426624926099533
Energy: 2.3377353841552355
Energy: 2.1550533066978126
Energy: 2.1424133708791167
Energy: 2.063805754277465
Energy: 1.8452561526251263
Energy: 2.1009072966774736
Energy: 2.3857411683349343
Energy: 2.054852156310905
Energy: 2.0213389529598365
Energy: 2.1594844451124757
Energy: 1.8452561526251263
Energy: 2.1009072966774736
Energy: 2.3857411683339373
Energy: 2.0548521563089124
Energy: 2.1188076068276733
Energy: 2.1389423372820495
Energy: 2.218674689919145
Energy: 2.056868034434326
Energy: 2.109560535606459
Energy: 2.14456109530945
Energy: 2.11880760682867
Energy: 2.1389423372810534
Energy: 2.218674689918149
Energy: 2.0568680344353227
Energy: 2.1368485373835435
Energy: 2.314360199809665
Energy: 2.092967017490131
Energy: 2.012736283135775
Energy: 2.114382282573932
Energy: 2.0187617547189407
Energy: 2.1368485373835435
Energy: 2.314360199809665
Energy: 2.0929670174891344
Energy: 2.012736283135775

minimum gb energy = 1.8452561526251263 eV
minimum distance =  2.45760763695798 Angstroms
sigma value = 33