Model name: model_name=EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082897424699
cohesive_energy=3.3602642542189236
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012786830780365731
Energy: 0.2308207980268915
Energy: 0.40796742389558593
Energy: 0.23072164464776773
Energy: 0.012786830780365731
Energy: 0.23082079802609107
Energy: 0.6181017325097745
Energy: 0.25081069318288446
Energy: 0.013142426081991456
Energy: 0.12083023742366393
Energy: 0.013291837439197292
Energy: 0.25081069318288446
Energy: 0.013142426083798148
Energy: 0.12083023742446436
Energy: 0.01278683078057156
Energy: 0.23082079802730315
Energy: 0.4079674238983989
Energy: 0.23072164464737893
Energy: 0.01278683078057156
Energy: 0.2308207980262969
Energy: 0.6181017325101633
Energy: 0.2508106931832961
Energy: 0.013142426082380237
Energy: 0.12083023742366393
Energy: 0.013291837439197292
Energy: 0.25081069318309024
Energy: 0.013142426084003974
Energy: 0.12083023742446436
Energy: 0.01278683078057156
Energy: 0.23082079802709732
Energy: 0.6181017325095688
Energy: 0.23072164464737893
Energy: 0.012786830780754514
Energy: 0.23082079802609107
Energy: 0.6181017325099804
Energy: 0.25081069318309024
Energy: 0.013142426081785633
Energy: 0.12083023742345812
Energy: 0.013291837438991469
Energy: 0.2508106931824956
Energy: 0.013142426084186929
Energy: 0.12083023742446436

minimum gb energy = 0.012786830780365731 eV
minimum distance =  2.82556786424584 Angstroms
sigma value = 5


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

Energy: 0.5903031601351348
Energy: 0.5726162825705026
Energy: 0.5946062828857148
Energy: 0.5741242692298835
Energy: 0.5903031601375934
Energy: 0.5726162825705026
Energy: 0.5946062828857148
Energy: 0.5390028363841538
Energy: 0.5633503484036616
Energy: 0.5509167961745078
Energy: 0.557842480626058
Energy: 0.5390028363816951
Energy: 0.5633503484134964
Energy: 0.5509167961818839
Energy: 0.5317901696833186
Energy: 0.5462850867333933
Energy: 0.5667616459406634
Energy: 0.537455990145266
Energy: 0.531790169688236
Energy: 0.5462850867309347
Energy: 0.566761645950498
Energy: 0.5717403378000331
Energy: 0.5645259268434515
Energy: 0.5880484080032014
Energy: 0.5466361942419704
Energy: 0.5717403378000331
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Energy: 0.5880484079982841
Energy: 0.5298371116355981
Energy: 0.5303863814196799
Energy: 0.5263260811476236
Energy: 0.5537299223544205
Energy: 0.5298371116355981
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Energy: 0.5263260811549996
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Energy: 0.5501898274228918
Energy: 0.5839583032182615
Energy: 0.5872950690516501
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Energy: 0.5839583032305549
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Energy: 0.538631624006638
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Energy: 0.5389342949124584
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Energy: 0.5891023382563882
Energy: 0.5280806437467083
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Energy: 0.5361319313801972
Energy: 0.5891023382539294
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Energy: 0.5662770881462356
Energy: 0.5691975405996881
Energy: 0.5798284900668291
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Energy: 0.5662770881462356
Energy: 0.5691975405898533
Energy: 0.5372652374164064
Energy: 0.5410304645475995
Energy: 0.5441606531922986
Energy: 0.5615204973691068
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Energy: 0.5410304645475995
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Energy: 0.5834995254651112
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Energy: 0.5367972085579709
Energy: 0.603869487825612
Energy: 0.5449673326860095
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Energy: 0.5916250184580469
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Energy: 0.591625018467837
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Energy: 0.5575831617488811
Energy: 0.5404154781942359
Energy: 0.5773301586726591
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Energy: 0.5404154781966946
Energy: 0.5712323283693576
Energy: 0.561264290615347
Energy: 0.5556678017394963
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Energy: 0.5712323283742748
Energy: 0.561264290622723
Energy: 0.5556678017345787
Energy: 0.5563062224081001
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Energy: 0.5669492358334348
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Energy: 0.5544827004173786
Energy: 0.5514209912268662
Energy: 0.5954971759262208
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Energy: 0.5383757060572277
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Energy: 0.5672632779933182
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Energy: 0.5669011282083599
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Energy: 0.5380157781074121
Energy: 0.525176064993856
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Energy: 0.5431239105622161
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Energy: 0.5563157737531064
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Energy: 0.574664215485898
Energy: 0.5452385936569756
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Energy: 0.548688276954708
Energy: 0.574664215478522
Energy: 0.5555813424951628
Energy: 0.5849288345805387
Energy: 0.5572682379971683
Energy: 0.563335077426877
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Energy: 0.5849288345731625
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Energy: 0.5559372942691596
Energy: 0.5391286053835543
Energy: 0.578461030382865
Energy: 0.557894154283685
Energy: 0.555937294274077
Energy: 0.539128605393389
Energy: 0.5784610303779476
Energy: 0.5550341529514382
Energy: 0.5473529285849397
Energy: 0.5637461468975452
Energy: 0.5676872877111254
Energy: 0.5550341529514382
Energy: 0.5473529285800223
Energy: 0.5637461468975452
Energy: 0.5760649094961728
Energy: 0.5417498926866632
Energy: 0.5713602591262023
Energy: 0.5533350304215713
Energy: 0.5760649094961728
Energy: 0.5417498926891218
Energy: 0.5713602591262023
Energy: 0.5570071547441406
Energy: 0.5447380152721908
Energy: 0.5672732509056525
Energy: 0.5518765877269748
Energy: 0.5570071547465992
Energy: 0.5447380152721908
Energy: 0.5672732509130285
Energy: 0.5203544656373764
Energy: 0.5331893013274684
Energy: 0.5802238110837764
Energy: 0.5474099303501802
Energy: 0.5203544656250829
Energy: 0.5331893013373032
Energy: 0.5802238110837764
Energy: 0.5313472955560491
Energy: 0.5558204223654385
Energy: 0.6148245320979937
Energy: 0.5467313297424244
Energy: 0.5313472955487177
Energy: 0.5558204223703559
Energy: 0.6148245321004523
Energy: 0.5266256930576144
Energy: 0.5652980147430031
Energy: 0.5968719679298291
Energy: 0.5368409741023423
Energy: 0.5266256930576144
Energy: 0.5652980147430031
Energy: 0.5968719679322877

minimum gb energy = 0.5203544656250829 eV
minimum distance =  2.57248965938542 Angstroms
sigma value = 401


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

Energy: 0.5810467386837511
Energy: 0.5967116718010236
Energy: 0.6097816165149256
Energy: 0.5622192400894293
Energy: 0.581046738681772
Energy: 0.5967116718049308
Energy: 0.6097816165171582
Energy: 0.5309660875867562
Energy: 0.5787949429591418
Energy: 0.5795690414885769
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Energy: 0.5784395595040817
Energy: 0.540475939083005
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Energy: 0.5803220201497165
Energy: 0.5462846918819935
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Energy: 0.5887034059303621
Energy: 0.5206572992944726
Energy: 0.5184321998001018
Energy: 0.6236388176421598
Energy: 0.5458919784725021
Energy: 0.5206572992936607
Energy: 0.5184321997998481
Energy: 0.623638817639927
Energy: 0.5262676080432214
Energy: 0.579976649095998
Energy: 0.566561129077552
Energy: 0.5462973865415237
Energy: 0.5262676080496657
Energy: 0.5799766490976724
Energy: 0.5665611290769937
Energy: 0.5392210816835078
Energy: 0.5979394461857799
Energy: 0.5531575624744313
Energy: 0.54352636403546
Energy: 0.5392210816866032
Energy: 0.5979394461855262
Energy: 0.5531575624744313
Energy: 0.5375417765250071
Energy: 0.5557989664891113
Energy: 0.5574711867107919
Energy: 0.5245842320619101
Energy: 0.5375417765216581
Energy: 0.5557989664935766
Energy: 0.5574711867110963
Energy: 0.5244015038256858
Energy: 0.5423137898637854
Energy: 0.5647440600977567
Energy: 0.5640148770548675
Energy: 0.5244015038268022
Energy: 0.5423137898654597
Energy: 0.5647440600924287
Energy: 0.5405661111918809
Energy: 0.5701864900735754
Energy: 0.5651392060462838
Energy: 0.5872907139265642
Energy: 0.5405661111905108
Energy: 0.5701864900761126
Energy: 0.5651392060459793
Energy: 0.5426612687703855
Energy: 0.5967116718018355
Energy: 0.6097816165141138
Energy: 0.5622192400899872
Energy: 0.5426612687773879
Energy: 0.5967116718057427
Energy: 0.6097816165157883
Energy: 0.5309660875887352
Energy: 0.5787949429566555
Energy: 0.5795690414880187
Energy: 0.5377445328097856
Energy: 0.5309660875876188
Energy: 0.5787949429524946
Energy: 0.5795690414843652

minimum gb energy = 0.515592871710306 eV
minimum distance =  2.55013596864809 Angstroms
sigma value = 311


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

Energy: 0.5876414228691897
Energy: 0.5312260281743288
Energy: 0.634074633153555
Energy: 0.5397722741391794
Energy: 0.5876414228701564
Energy: 0.5312260281743288
Energy: 0.6243531399842721
Energy: 0.5631559227299706
Energy: 0.5542326092409485
Energy: 0.5803523638911602
Energy: 0.5497441900457599
Energy: 0.5631559227309373
Energy: 0.554232609239015
Energy: 0.5803523638882598
Energy: 0.542649305634772
Energy: 0.5546768863760968
Energy: 0.5796914304537596
Energy: 0.5321679884078206
Energy: 0.5426493056334829
Energy: 0.5546768863783527
Energy: 0.5924994607480369
Energy: 0.5436403211917646
Energy: 0.5326782938788437
Energy: 0.6240812879633881
Energy: 0.5414727555142186
Energy: 0.5436403211936981
Energy: 0.5326782938798106
Energy: 0.6240812879640326
Energy: 0.5437794041335713
Energy: 0.5358225407455116
Energy: 0.6296693379545815
Energy: 0.5366428089592871
Energy: 0.5437794041345381
Energy: 0.5358225407455116
Energy: 0.6200692135535176
Energy: 0.5438956192930393
Energy: 0.531070245189427
Energy: 0.6093407289336873
Energy: 0.5524884301103616
Energy: 0.5438956192940061
Energy: 0.5310702451897493
Energy: 0.6093407289330428
Energy: 0.5448780499523678
Energy: 0.5352988163585426
Energy: 0.5759108733716538
Energy: 0.5519787585463346
Energy: 0.54487804995269
Energy: 0.5352988163591871
Energy: 0.5759108733726205
Energy: 0.5545424302261736
Energy: 0.5518978054302983
Energy: 0.6326507170299206
Energy: 0.5303899241788873
Energy: 0.554542430228107
Energy: 0.5518978054312651
Energy: 0.6326507170305652
Energy: 0.5448569252345787
Energy: 0.5290079715447883
Energy: 0.6173000545405913
Energy: 0.5289031081445876
Energy: 0.5448569252342564
Energy: 0.5290079715444661
Energy: 0.6173000545409136
Energy: 0.5539992664494757
Energy: 0.545574962062846
Energy: 0.607654310284837
Energy: 0.5349906515081335
Energy: 0.5539992664504425
Energy: 0.545574962062846
Energy: 0.607654310284837
Energy: 0.5660880302825597
Energy: 0.5497707091777059
Energy: 0.5809268143717686
Energy: 0.5359447081685956
Energy: 0.5660880302822374
Energy: 0.549770709178995
Energy: 0.5809268143717686
Energy: 0.5659506240687593
Energy: 0.5496777321289998
Energy: 0.5942068461412695
Energy: 0.5596740698358215
Energy: 0.5659506240681149
Energy: 0.5496777321299666
Energy: 0.5942068461422363
Energy: 0.5487819539930964
Energy: 0.5480822946203832
Energy: 0.5942620642414044
Energy: 0.5531271879880113
Energy: 0.548781953993741
Energy: 0.5480822946200609
Energy: 0.594262064239793
Energy: 0.5394028577215064
Energy: 0.5384970049301661
Energy: 0.5955334470718247
Energy: 0.5384761472304969
Energy: 0.5394028577208619
Energy: 0.5384970049314551
Energy: 0.5955334470705358
Energy: 0.5488933982376869
Energy: 0.5531190966485929
Energy: 0.5942734182177081
Energy: 0.5263462097917735
Energy: 0.5488933982341421
Energy: 0.5531190966502043
Energy: 0.5942734182180304
Energy: 0.5659383263471114
Energy: 0.5596752491767001
Energy: 0.5942010236182848
Energy: 0.5496548601312277
Energy: 0.5659383263445333
Energy: 0.5596752491776669
Energy: 0.5942010236189292
Energy: 0.5660075244535538
Energy: 0.535932000953289
Energy: 0.5809826251123046
Energy: 0.5497248960670281
Energy: 0.5660075244525871
Energy: 0.5359320009526445
Energy: 0.5809826251123046
Energy: 0.5539842648680582
Energy: 0.5350738003592025
Energy: 0.6076219797358593
Energy: 0.5456015060294312
Energy: 0.5539842648677359
Energy: 0.5350738003556575
Energy: 0.6076219797368261
Energy: 0.5447743897985343
Energy: 0.5287639868908185
Energy: 0.5934804471566112
Energy: 0.5289982203558552
Energy: 0.5447743897991788
Energy: 0.528763986890174
Energy: 0.5934804471604783
Energy: 0.5545291406009829
Energy: 0.53040269205183
Energy: 0.6325764626183549
Energy: 0.551961913957366
Energy: 0.5545291405993715
Energy: 0.5304026920498965
Energy: 0.6325764626193218
Energy: 0.5448572791007539
Energy: 0.5520991172387746
Energy: 0.6057269243324906
Energy: 0.5352540278167033
Energy: 0.5448572791001094
Energy: 0.5520991172394191
Energy: 0.6057269243321685
Energy: 0.5438872210679864
Energy: 0.5525641327991093
Energy: 0.6093539422846355
Energy: 0.5310051988104746
Energy: 0.5438872210676642
Energy: 0.552564132798787
Energy: 0.6093539422833464
Energy: 0.5437466187606474
Energy: 0.5366374779056252
Energy: 0.5878087054817399
Energy: 0.5358186167444626
Energy: 0.5437466187609697
Energy: 0.5366374779059474
Energy: 0.5878087054785174
Energy: 0.54365020240735
Energy: 0.5414517946389803
Energy: 0.6240892284815506
Energy: 0.5326704379732435
Energy: 0.543650202408639
Energy: 0.5414517946383357
Energy: 0.624089228483162
Energy: 0.5429667808204326
Energy: 0.5322043087329539
Energy: 0.6017218476333781
Energy: 0.5479987214256338
Energy: 0.5429667808197881
Energy: 0.5322043087332762
Energy: 0.6017218476330559
Energy: 0.5631900289368563
Energy: 0.5497000673187682
Energy: 0.580352463971474
Energy: 0.5542409232963426
Energy: 0.5631900289371785
Energy: 0.5497000673187682
Energy: 0.5803524639730852
Energy: 0.5876414228675784
Energy: 0.5312260281752956
Energy: 0.6032690688376531
Energy: 0.5397722741407907
Energy: 0.5876414228695119
Energy: 0.5312260281743288
Energy: 0.6032690688366863
Energy: 0.5631559227315818
Energy: 0.5542326092409485
Energy: 0.5803523638901933
Energy: 0.5497441900454377
Energy: 0.5631559227290038
Energy: 0.5542326092396596
Energy: 0.5803523638879377
Energy: 0.5426493056344497
Energy: 0.5546768863793194
Energy: 0.602755410359087
Energy: 0.532167988408143
Energy: 0.542649305636061
Energy: 0.5546768863764191
Energy: 0.6027554103587647
Energy: 0.5436403211927313
Energy: 0.5326782938807774
Energy: 0.624081287963066
Energy: 0.5414727555119628
Energy: 0.5436403211891865
Energy: 0.5326782938794883
Energy: 0.6240812879646771
Energy: 0.5437794041355049
Energy: 0.5358225407451893
Energy: 0.6042985160595117
Energy: 0.5366428089618652
Energy: 0.5437794041355049
Energy: 0.5358225407458339
Energy: 0.6042985160588672
Energy: 0.5438956192923948
Energy: 0.5310702451878156
Energy: 0.6093407289336873
Energy: 0.5524884301106839
Energy: 0.5438956192930393
Energy: 0.5310702451884602
Energy: 0.6093407289330428
Energy: 0.5448780499533346
Energy: 0.5352988163585426
Energy: 0.5851273849297499
Energy: 0.5519787585440789
Energy: 0.544878049951401
Energy: 0.535298816360154
Energy: 0.5851273849294277
Energy: 0.5545424302277847
Energy: 0.5518978054328765
Energy: 0.6326507170299206
Energy: 0.5303899241766314
Energy: 0.554542430225529
Energy: 0.551897805432232
Energy: 0.632650717030243
Energy: 0.5448569252342564
Energy: 0.5290079715454329
Energy: 0.6304243075809065
Energy: 0.5289031081458766
Energy: 0.5448569252342564
Energy: 0.529007971543177
Energy: 0.6304243075780063
Energy: 0.5539992664514093
Energy: 0.545574962062846
Energy: 0.6076543102854814
Energy: 0.534990651507489
Energy: 0.5539992664514093
Energy: 0.5455749620634904
Energy: 0.6076543102829034

minimum gb energy = 0.5263462097917735 eV
minimum distance =  2.55976317693477 Angstroms
sigma value = 39


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

Energy: 0.5314755380850009
Energy: 0.5264203406260861
Energy: 0.6130130714367722
Energy: 0.5264270603877675
Energy: 0.5314755380865223
Energy: 0.5264203406222827
Energy: 0.6130130714382936
Energy: 0.5150244697164656
Energy: 0.5342105228284327
Energy: 0.5085701827689064
Energy: 0.5342961407601
Energy: 0.5150244697206493
Energy: 0.534210522828813
Energy: 0.5085701827677654
Energy: 0.5316776454397962
Energy: 0.5033470315194929
Energy: 0.5816655539655115
Energy: 0.5113094300910102
Energy: 0.5316776454375143
Energy: 0.5033470315217748
Energy: 0.5816655539609474
Energy: 0.533879019267355
Energy: 0.5342399496515033
Energy: 0.5088322695152484
Energy: 0.5681897998810219
Energy: 0.5338790192700174
Energy: 0.5342399496484607
Energy: 0.5088322695144878
Energy: 0.5621777347943153
Energy: 0.5107953224364068
Energy: 0.511578806416165
Energy: 0.5112352735462935
Energy: 0.5621777347950759
Energy: 0.5107953224337445
Energy: 0.5115788064165454
Energy: 0.5354963539031902
Energy: 0.5183745467030633
Energy: 0.6126819314361831
Energy: 0.5178362280907832
Energy: 0.5354963539001476
Energy: 0.5183745466992945
Energy: 0.6126819314327601
Energy: 0.5914849762379752
Energy: 0.5693953067970707
Energy: 0.5385294891511351
Energy: 0.511523868129848
Energy: 0.5914849762436802
Energy: 0.5693953068001135
Energy: 0.5310337348060149
Energy: 0.536287006402089
Energy: 0.5143036927456266
Energy: 0.6069042464500027
Energy: 0.5142898701551316
Energy: 0.5362870064013283
Energy: 0.5143036927441053
Energy: 0.6069042464507635
Energy: 0.5909639695099438
Energy: 0.5115195275175489
Energy: 0.5370928815170102
Energy: 0.5696386822789876
Energy: 0.5909639695049993
Energy: 0.5115195275224932
Energy: 0.5370928815211592
Energy: 0.5354334285898098
Energy: 0.5178414396344521
Energy: 0.6126624845865014
Energy: 0.5183736096213744
Energy: 0.5354334285898098
Energy: 0.5178414396317899
Energy: 0.6126624845842193
Energy: 0.5622193974428648
Energy: 0.5112448443883255
Energy: 0.5340004487200667
Energy: 0.5106415260280016
Energy: 0.5622193974497106
Energy: 0.5112448443871844
Energy: 0.5340004487227291
Energy: 0.5352614411455056
Energy: 0.5175062094592455
Energy: 0.5089784826034381
Energy: 0.534119755972466
Energy: 0.5352614411432235
Energy: 0.5175062094615275
Energy: 0.5089784826011562
Energy: 0.5315281690864713
Energy: 0.5114243542487296
Energy: 0.5798460055807693
Energy: 0.5031961182431988
Energy: 0.5315281690857107
Energy: 0.5114243542517722
Energy: 0.5798460055792478
Energy: 0.5150189359952932
Energy: 0.5342992732437393
Energy: 0.5088688802254897
Energy: 0.5341786654916478
Energy: 0.5150189359983358
Energy: 0.5342992732403162
Energy: 0.5088688802285324
Energy: 0.5314755380853813
Energy: 0.5264203406272271
Energy: 0.6214830310408932
Energy: 0.5264270603862462
Energy: 0.5314755380850009
Energy: 0.5264203406234238
Energy: 0.6214830310420341
Energy: 0.515024469716846
Energy: 0.5342105228291933
Energy: 0.5085701827677654
Energy: 0.5342961407597197
Energy: 0.5150244697202689
Energy: 0.5342105228284327
Energy: 0.5085701827666245
Energy: 0.5316776454401766
Energy: 0.5033470315206339
Energy: 0.5816655539643705
Energy: 0.5113094300917708
Energy: 0.5316776454378946
Energy: 0.5033470315221552
Energy: 0.5816655539605673
Energy: 0.5338790192692567
Energy: 0.5342399496515033
Energy: 0.5088322695156288
Energy: 0.5681897998798809
Energy: 0.5338790192719189
Energy: 0.534239949646559
Energy: 0.5088322695137271
Energy: 0.5621777347943153
Energy: 0.510795322436787
Energy: 0.5115788064180667
Energy: 0.5112352735466739
Energy: 0.5621777347954563
Energy: 0.5107953224341248
Energy: 0.5115788064180667
Energy: 0.5354963539028099
Energy: 0.5183745467045846
Energy: 0.6126819314373241
Energy: 0.5178362280923045
Energy: 0.5354963538997671
Energy: 0.5183745466992945
Energy: 0.6126819314327601
Energy: 0.5914849762379752
Energy: 0.5693953067970707
Energy: 0.5310337348014509
Energy: 0.5115238681306086
Energy: 0.5914849762429195
Energy: 0.5693953068016347
Energy: 0.5310337348056345
Energy: 0.5362870064013283
Energy: 0.5143036927452462
Energy: 0.6069042464503831
Energy: 0.5142898701577939
Energy: 0.5362870064017087
Energy: 0.5143036927437249
Energy: 0.6069042464507635
Energy: 0.5909639695084224
Energy: 0.5115195275175489
Energy: 0.5370928815166297
Energy: 0.5696386822789876
Energy: 0.5909639695038584
Energy: 0.5115195275221129
Energy: 0.5370928815177707
Energy: 0.5354334285894295
Energy: 0.5178414396325505
Energy: 0.6126624845861209
Energy: 0.518373609622135
Energy: 0.5354334285898098
Energy: 0.5178414396325505
Energy: 0.6126624845842193
Energy: 0.5622193974432451
Energy: 0.5112448443890862
Energy: 0.5132603826897756
Energy: 0.5106415260291426
Energy: 0.5622193974512321
Energy: 0.5112448443860435
Energy: 0.5132603826882542
Energy: 0.5352614411436039
Energy: 0.5175062094584849
Energy: 0.5089784826030579
Energy: 0.5341197559732267
Energy: 0.5352614411428431
Energy: 0.5175062094607668
Energy: 0.5089784826015364
Energy: 0.5315281690864713
Energy: 0.5114243542498706
Energy: 0.569025342071111
Energy: 0.5031961182405364
Energy: 0.531528169086091
Energy: 0.5114243542532936
Energy: 0.56902534206997
Energy: 0.5150189359945326
Energy: 0.5342992732437393
Energy: 0.5088688802266308
Energy: 0.5341786654927889
Energy: 0.5150189359987162
Energy: 0.5342992732395555
Energy: 0.5088688802296734
Energy: 0.5314755380853813
Energy: 0.5264203406260861
Energy: 0.5630694042303327
Energy: 0.5264270603873873
Energy: 0.5314755380865223
Energy: 0.5264203406222827
Energy: 0.5630694042345165
Energy: 0.5150244697164656
Energy: 0.5342105228284327
Energy: 0.5085701827689064
Energy: 0.5342961407601
Energy: 0.5150244697206493
Energy: 0.534210522828813
Energy: 0.5085701827681458

minimum gb energy = 0.5031961182405364 eV
minimum distance =  2.61449789967072 Angstroms
sigma value = 21


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

Energy: 0.5520374941395648
Energy: 0.5681300256910142
Energy: 0.5388694947319904
Energy: 0.5750305080298792
Energy: 0.5520374941395648
Energy: 0.5681300256910142
Energy: 0.5388694947338372
Energy: 0.5413871423366987
Energy: 0.5047255932668256
Energy: 0.5554171889007485
Energy: 0.5490905132089587
Energy: 0.541387142336237
Energy: 0.5047255932663639
Energy: 0.5554171889007485
Energy: 0.5107871006370689
Energy: 0.5562568891711696
Energy: 0.5350930570453022
Energy: 0.5251176131221926
Energy: 0.5107871006398391
Energy: 0.5562568891729954
Energy: 0.5350930570457639
Energy: 0.5310021435890848
Energy: 0.5150489420280809
Energy: 0.5795532356657757
Energy: 0.5208321151162673
Energy: 0.5310021435867763
Energy: 0.5150489420276192
Energy: 0.579553235666699
Energy: 0.510533915040007
Energy: 0.5412551145252215
Energy: 0.5277741831798448
Energy: 0.5216121856136116
Energy: 0.5105339150390836
Energy: 0.5412551145261448
Energy: 0.5277741831798448
Energy: 0.5262254825581562
Energy: 0.5157417777020765
Energy: 0.5288151709835726
Energy: 0.5203998704540771
Energy: 0.5262254825563094
Energy: 0.5157417777029999
Energy: 0.5288151709812641
Energy: 0.5232591351859355
Energy: 0.5369122289455367
Energy: 0.5552324170310715
Energy: 0.5153550867028023
Energy: 0.5232591351850121
Energy: 0.5369122289441516
Energy: 0.5552324170319949
Energy: 0.52276630392348
Energy: 0.5071386248734988
Energy: 0.5314760697387195
Energy: 0.532994179018289
Energy: 0.5227663039230183
Energy: 0.5071386248716521
Energy: 0.5314760697405664
Energy: 0.5233262607288316
Energy: 0.5186683983717403
Energy: 0.5456934859397068
Energy: 0.5246602464034217
Energy: 0.52332626072837
Energy: 0.5186683983722019
Energy: 0.545693485939245
Energy: 0.5252376834852079
Energy: 0.5157333377294598
Energy: 0.5511364677310713
Energy: 0.5251943481861843
Energy: 0.5252376834833612
Energy: 0.5157333377294598
Energy: 0.5511364677310713
Energy: 0.5423077163140654
Energy: 0.5199793007558171
Energy: 0.5454042741269824
Energy: 0.5148944618198577
Energy: 0.5423077163140654
Energy: 0.5199793007548937
Energy: 0.5454042741269824
Energy: 0.5048333819595334
Energy: 0.5241277136605389
Energy: 0.5353516247462594
Energy: 0.5036468408423949
Energy: 0.5048333819609185
Energy: 0.5241277136596154
Energy: 0.5353516247462594
Energy: 0.5305822953027751
Energy: 0.525366633494581
Energy: 0.557954282876974
Energy: 0.518217137629126
Energy: 0.5305822953032369
Energy: 0.525366633494581
Energy: 0.554247042875959
Energy: 0.49430258151106976
Energy: 0.5325098888280089
Energy: 0.5401025645004109
Energy: 0.5078964253350053
Energy: 0.49430258150922296
Energy: 0.5325098888280089
Energy: 0.5401025645013343
Energy: 0.5465993194465716
Energy: 0.5171115696660563
Energy: 0.5590601419363255
Energy: 0.5501883596687809
Energy: 0.5465993194479567
Energy: 0.5171115696688265
Energy: 0.559060141935402
Energy: 0.5219229730783889
Energy: 0.5378168996832569
Energy: 0.5317075553481609
Energy: 0.5436862928920011
Energy: 0.5219229730765422
Energy: 0.5378168996818719
Energy: 0.5317075553486228
Energy: 0.5225097545116776
Energy: 0.5171035546663423
Energy: 0.5480297073950802
Energy: 0.5522072821457746
Energy: 0.5225097545102926
Energy: 0.5171035546668039
Energy: 0.5480297073946184
Energy: 0.49461408739337953
Energy: 0.5223808963590701
Energy: 0.5239281853030381
Energy: 0.5413631247313069
Energy: 0.4946140873947647
Energy: 0.5223808963599935
Energy: 0.5239281853062701
Energy: 0.521238819328328
Energy: 0.519112963289442
Energy: 0.5709301102124626
Energy: 0.5161757095201944
Energy: 0.5212388193278664
Energy: 0.5191129632899036
Energy: 0.5709301102147712
Energy: 0.49372566370476095
Energy: 0.5270156649692681
Energy: 0.5222699481450458
Energy: 0.5318896719088078
Energy: 0.4937256637056844
Energy: 0.5270156649715767
Energy: 0.5222699481436606
Energy: 0.5216184521404073
Energy: 0.5141194236823472
Energy: 0.5413674824656275
Energy: 0.517310122494054
Energy: 0.5216184521404073
Energy: 0.5141194236823472
Energy: 0.5413674824660892
Energy: 0.4946585612563824
Energy: 0.5334520139178642
Energy: 0.5250136914491171
Energy: 0.5195833348832218
Energy: 0.49465856125499735
Energy: 0.5334520139169409
Energy: 0.5250136914468085
Energy: 0.546558321895577
Energy: 0.5132575848711397
Energy: 0.5474506895025653
Energy: 0.5333021822626968
Energy: 0.5465583218951152
Energy: 0.5132575848725248
Energy: 0.5474506894997951
Energy: 0.49469030574142925
Energy: 0.5337678230979723
Energy: 0.551136493618515
Energy: 0.5381500017377854
Energy: 0.4946903057395824
Energy: 0.5337678230988957
Energy: 0.5511364936152832
Energy: 0.5509374698128202
Energy: 0.513250904444741
Energy: 0.5547511915484697
Energy: 0.5439608496818986
Energy: 0.5509374698132818
Energy: 0.5132509044461261
Energy: 0.554751191549393

minimum gb energy = 0.49372566370476095 eV
minimum distance =  2.57246074898428 Angstroms
sigma value = 113


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

Energy: 0.5710276878366606
Energy: 0.5721182072457063
Energy: 0.5850266054077261
Energy: 0.5721239367035932
Energy: 0.5710276878435945
Energy: 0.5721182072544674
Energy: 0.5850266054108183
Energy: 0.566745491072479
Energy: 0.5379602921673086
Energy: 0.5964038005161111
Energy: 0.5378972270246944
Energy: 0.5667454910735097
Energy: 0.5379602921729776
Energy: 0.5964038005106763
Energy: 0.5714654065756688
Energy: 0.5461558453875115
Energy: 0.5643598787196348
Energy: 0.5387381777913571
Energy: 0.5714654065738417
Energy: 0.5461558453795001
Energy: 0.5643598787042211
Energy: 0.5104002930457137
Energy: 0.5508343567400945
Energy: 0.6242358586040653
Energy: 0.53606525931899
Energy: 0.5104002930315649
Energy: 0.5508343567370024
Energy: 0.6242358586071574
Energy: 0.5761457319301861
Energy: 0.5082790441591541
Energy: 0.5476297437432766
Energy: 0.5228073250558646
Energy: 0.5761457319348243
Energy: 0.5082790441514238
Energy: 0.5476297437553641
Energy: 0.510925772525466
Energy: 0.5165160210401468
Energy: 0.5730845396246339
Energy: 0.5104377141746056
Energy: 0.510925772515159
Energy: 0.5165160210440354
Energy: 0.5730845396305839
Energy: 0.5322818992160078
Energy: 0.508417862415476
Energy: 0.5802204633962896
Energy: 0.5266745406985986
Energy: 0.5322818992237381
Energy: 0.5084178624064338
Energy: 0.580220463389309
Energy: 0.5141583216131557
Energy: 0.5075771779190029
Energy: 0.5889423838820218
Energy: 0.5068776170752965
Energy: 0.5141583216041136
Energy: 0.5075771779117879
Energy: 0.5889423838827713
Energy: 0.5320861031337579
Energy: 0.5124892528902919
Energy: 0.6015105753125247
Energy: 0.5182512456614595
Energy: 0.5320861031227012
Energy: 0.5124892528882306
Energy: 0.6179744786239986
Energy: 0.4979286105528111
Energy: 0.5071428521854281
Energy: 0.5988087388855104
Energy: 0.5068541311003091
Energy: 0.49792861054301946
Energy: 0.5071428521857091
Energy: 0.5988087388790919
Energy: 0.5322358285752319
Energy: 0.5245426183585383
Energy: 0.5974473156202029
Energy: 0.5182386631232752
Energy: 0.5322358285672674
Energy: 0.5245426183510423
Energy: 0.5974473156140185
Energy: 0.4975393710849223
Energy: 0.515529439137951
Energy: 0.6108669296164685
Energy: 0.5298448937991163
Energy: 0.4975393710854377
Energy: 0.5155294391433387
Energy: 0.6108669296211067
Energy: 0.5535415332728407
Energy: 0.5200152208147724
Energy: 0.5865544788255465
Energy: 0.5193269824708211
Energy: 0.5535415332767293
Energy: 0.5200152208178644
Energy: 0.5978791863754062
Energy: 0.5436880003271162
Energy: 0.5465931818632779
Energy: 0.635836294439854
Energy: 0.5296789777569819
Energy: 0.5436880003302084
Energy: 0.5465931818655735
Energy: 0.6358362944274855
Energy: 0.5537230206956174
Energy: 0.5361970616206375
Energy: 0.6418859622895766
Energy: 0.5488880501912352
Energy: 0.5537230206943524
Energy: 0.5361970616178265
Energy: 0.6418859622906073
Energy: 0.5441279035680427
Energy: 0.519110030196387
Energy: 0.5750549001778871
Energy: 0.5119890839009417
Energy: 0.544127903548225
Energy: 0.5191100302092708
Energy: 0.5750549001670646
Energy: 0.559174551267979
Energy: 0.5193739582498681
Energy: 0.6520412787088355
Energy: 0.5154899280708358
Energy: 0.5591745512664329
Energy: 0.5193739582511331
Energy: 0.652041278718393
Energy: 0.49738075316188446
Energy: 0.5132762168297208
Energy: 0.6311159567682895
Energy: 0.5152056223434848
Energy: 0.49738075316291513
Energy: 0.5132762168299551
Energy: 0.6311159567602781
Energy: 0.5583104328116479
Energy: 0.5381004541894764
Energy: 0.6124554884192054
Energy: 0.528258117913914
Energy: 0.5583104328078062
Energy: 0.5381004541819803
Energy: 0.6124554884176593
Energy: 0.5071491963514655
Energy: 0.5393650694364898
Energy: 0.6144387348868497
Energy: 0.5019307489754903
Energy: 0.5071491963563379
Energy: 0.5393650694285254
Energy: 0.6144387348778075
Energy: 0.5323625255218858
Energy: 0.5123388886830574
Energy: 0.5877147239675767
Energy: 0.5516642303754621
Energy: 0.5323625255260086
Energy: 0.5123388886890073
Energy: 0.5877147239606428
Energy: 0.5069079145474594
Energy: 0.5054923238716106
Energy: 0.6162110423910402
Energy: 0.5093252481949173
Energy: 0.5069079145412753
Energy: 0.5054923238754992
Energy: 0.6162110423750642
Energy: 0.5312538750395065
Energy: 0.5070443717891873
Energy: 0.5762881199153495
Energy: 0.5443197182044331
Energy: 0.531253875038757
Energy: 0.5070443717925606
Energy: 0.5762881199202686
Energy: 0.531231344018253
Energy: 0.5204999327351233
Energy: 0.6076927219081362
Energy: 0.5067368458913937
Energy: 0.531231344006681
Energy: 0.5204999327397615
Energy: 0.6076927219127742
Energy: 0.5322385874884058
Energy: 0.5369979689323972
Energy: 0.5906923266004199
Energy: 0.5553352712174424
Energy: 0.5322385874959018
Energy: 0.5369979689401274
Energy: 0.5906923265939547
Energy: 0.526943735718414
Energy: 0.5436309356208425
Energy: 0.5921073694674828
Energy: 0.5174265847842356
Energy: 0.5269437357261443
Energy: 0.5436309356218733
Energy: 0.5921073694708091
Energy: 0.5844549533220983
Energy: 0.5364204902603698
Energy: 0.5937685451617395
Energy: 0.5578059081311505
Energy: 0.5844549533293134
Energy: 0.5364204902636961
Energy: 0.5937685451457635
Energy: 0.519418084458749
Energy: 0.5563285587760729
Energy: 0.5887155784635384
Energy: 0.5683201326662739
Energy: 0.5194180844633871
Energy: 0.5563285587804768
Energy: 0.5887155784609618
Energy: 0.5844809040051793
Energy: 0.5302775301107123
Energy: 0.6323591177480193
Energy: 0.5578372484679113
Energy: 0.5844809040064443
Energy: 0.5302775301109934
Energy: 0.6323591177619339
Energy: 0.5201353874819231
Energy: 0.5283914195440981
Energy: 0.5914110777928147
Energy: 0.5446765535937833
Energy: 0.5201353874881073
Energy: 0.5283914195482208
Energy: 0.5914110777922993
Energy: 0.5280455716537594
Energy: 0.5304559952265442
Energy: 0.5983857771231684
Energy: 0.5699314420974985
Energy: 0.5280455716684236
Energy: 0.5304559952280902
Energy: 0.598385777122372
Energy: 0.5315552279356062
Energy: 0.5044638989645717
Energy: 0.5713717560704771
Energy: 0.5196546463709696
Energy: 0.5315552279433365
Energy: 0.5044638989571225
Energy: 0.5713717560707581
Energy: 0.5214482097910335
Energy: 0.5117918291083495
Energy: 0.6164653329814664
Energy: 0.5488081243637364
Energy: 0.5214482097949219
Energy: 0.5117918291127065
Energy: 0.6164653329752824
Energy: 0.5081953642521361
Energy: 0.5044772881667406
Energy: 0.5562752581774297
Energy: 0.5195977700945791
Energy: 0.5081953642523703
Energy: 0.5044772881631332
Energy: 0.5562752581916254
Energy: 0.51120369916539
Energy: 0.495518212327143
Energy: 0.5779301298748748
Energy: 0.544435728152613
Energy: 0.511203699172605
Energy: 0.4955182123276584
Energy: 0.5779301298686904
Energy: 0.5082654018011681
Energy: 0.5076603132352387
Energy: 0.567536502839905
Energy: 0.5088666825839182
Energy: 0.5082654017960145
Energy: 0.5076603132282581
Energy: 0.5675365028290825
Energy: 0.508809393185002
Energy: 0.5005227892994601
Energy: 0.5596847392736567
Energy: 0.5537970233633797
Energy: 0.5088093931894059
Energy: 0.500522789306675
Energy: 0.5596847392780137
Energy: 0.5186521920791748
Energy: 0.5062049885423682
Energy: 0.5684098423487195
Energy: 0.5087421311293582
Energy: 0.518652192072241
Energy: 0.5062049885573134
Energy: 0.5684098423384123
Energy: 0.5087188375746783
Energy: 0.5303460005602881
Energy: 0.5984093929600104
Energy: 0.5495384231045438
Energy: 0.5087188375736476
Energy: 0.5303460005630991
Energy: 0.5984093929672254
Energy: 0.5188195384596944
Energy: 0.5333283977928615
Energy: 0.5816543314990874
Energy: 0.5332651512484188
Energy: 0.518819538448872
Energy: 0.5333283977961879
Energy: 0.5816543315029292
Energy: 0.5614005483420335
Energy: 0.5343864822040691
Energy: 0.6162152889384562
Energy: 0.5494701448489888
Energy: 0.5614005483402531
Energy: 0.5343864822146572
Energy: 0.6162152889384562
Energy: 0.5186733197411887
Energy: 0.5310492072862983
Energy: 0.6195508217998987
Energy: 0.5566070895333176
Energy: 0.5186733197537913
Energy: 0.5310492072685422
Energy: 0.6195508217875302
Energy: 0.5467413793789556
Energy: 0.5344119682804954
Energy: 0.6394077848642407
Energy: 0.5558837345732299
Energy: 0.5467413793818134
Energy: 0.53441196827998
Energy: 0.6394077848624604
Energy: 0.5271647330444518
Energy: 0.5198906448836204
Energy: 0.6142291753569089
Energy: 0.5363942329853737
Energy: 0.527164733047778
Energy: 0.5198906448833392
Energy: 0.6142291753473514
Energy: 0.5027489158084225
Energy: 0.5332112061329111
Energy: 0.6107277235993078
Energy: 0.5577342926357489
Energy: 0.5027489158123111
Energy: 0.5332112061329111
Energy: 0.6107277236047424

minimum gb energy = 0.495518212327143 eV
minimum distance =  2.55321567297697 Angstroms
sigma value = 365


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

Energy: 0.4866353900084887
Energy: 0.48721560136398856
Energy: 0.5613259643736086
Energy: 0.4872156013674743
Energy: 0.48663539000616485
Energy: 0.4872156013674743
Energy: 0.6001643015180225
Energy: 0.48663539000790773
Energy: 0.4872156013663124
Energy: 0.6001643015168604
Energy: 0.4872156013657314
Energy: 0.4866353900084887
Energy: 0.48721560136456954
Energy: 0.6295691168869572
Energy: 0.48663539000558387
Energy: 0.4872156013680553
Energy: 0.6843937021276322
Energy: 0.4872156013651504
Energy: 0.48663539000558387
Energy: 0.4872156013657314
Energy: 0.4779108852536931
Energy: 0.4866353900113935
Energy: 0.48721560136456954
Energy: 0.6004088707806317
Energy: 0.48721560136689335
Energy: 0.48663539000790773
Energy: 0.4872156013674743
Energy: 0.6004088707800508
Energy: 0.48663539000558387
Energy: 0.4872156013674743
Energy: 0.624414940907247
Energy: 0.4872156013657314
Energy: 0.48663539000674577
Energy: 0.4872156013657314
Energy: 0.5949409116516852
Energy: 0.48663539000674577
Energy: 0.4872156013674743
Energy: 0.6245554002883857
Energy: 0.48721560136456954
Energy: 0.4866353900090697
Energy: 0.4872156013657314
Energy: 0.654723397929555
Energy: 0.48663539001023154
Energy: 0.48721560136456954
Energy: 0.6577372373423466
Energy: 0.4872156013674743
Energy: 0.48663539000674577
Energy: 0.4872156013674743
Energy: 0.6004088707788888
Energy: 0.48663539000732675
Energy: 0.4872156013663124
Energy: 0.5949409116511042
Energy: 0.4872156013651504
Energy: 0.4866353900084887
Energy: 0.48721560136398856
Energy: 0.5949409116516852
Energy: 0.4866353900050029
Energy: 0.4872156013692172
Energy: 0.6001643015174415
Energy: 0.4872156013651504
Energy: 0.48663539000674577
Energy: 0.4872156013657314
Energy: 0.6245554002901287
Energy: 0.48663539001252903
Energy: 0.48721560136456954
Energy: 0.6001643015191843
Energy: 0.48721560136689335
Energy: 0.48663539000790773
Energy: 0.48721560136689335
Energy: 0.6584581991996172
Energy: 0.48663539000558387
Energy: 0.48721560136689335
Energy: 0.6295691168881191
Energy: 0.4872156013651504
Energy: 0.48663539000558387
Energy: 0.4872156013651504
Energy: 0.6295691168863762
Energy: 0.48663539000790773
Energy: 0.4872156013674743
Energy: 0.6000873334588339
Energy: 0.4872156013651504
Energy: 0.4866353900084887
Energy: 0.4872156013657314
Energy: 0.6000873334477956
Energy: 0.4866353900090697
Energy: 0.48721560136456954
Energy: 0.6003242179588891
Energy: 0.4872156013686362
Energy: 0.48663539000558387
Energy: 0.4872156013680553
Energy: 0.6003242179693465
Energy: 0.48663539000732675
Energy: 0.48721560136689335
Energy: 0.6295691168904429
Energy: 0.4872156013657314
Energy: 0.4866353900084887
Energy: 0.48721560136456954
Energy: 0.6295691168869572
Energy: 0.48663539000674577
Energy: 0.4872156013680553
Energy: 0.6295691168869572
Energy: 0.4872156013657314
Energy: 0.48663539000616485
Energy: 0.4872156013651504
Energy: 0.6295691168939288
Energy: 0.4866353900119481
Energy: 0.4872156013651504
Energy: 0.6295691168910238
Energy: 0.4872156013663124
Energy: 0.4866353900090697
Energy: 0.48721560136689335
Energy: 0.629569116889281
Energy: 0.48663539000558387
Energy: 0.4872156013674743
Energy: 0.629569116889281
Energy: 0.4872156013651504
Energy: 0.48663539000674577
Energy: 0.4872156013651504
Energy: 0.6295691168881191
Energy: 0.48663539000732675
Energy: 0.4872156013680553
Energy: 0.629569116889281
Energy: 0.48721560136456954
Energy: 0.4866353900084887
Energy: 0.48721560136689335
Energy: 0.6295691168939288
Energy: 0.48663539000790773
Energy: 0.48721560136398856
Energy: 0.6295691168904429
Energy: 0.4872156013674743
Energy: 0.48663539000674577
Energy: 0.4872156013680553
Energy: 0.6295691168887001
Energy: 0.48663539000732675
Energy: 0.4872156013663124
Energy: 0.6295691168887001
Energy: 0.4872156013663124
Energy: 0.4866353900090697
Energy: 0.4872156013651504
Energy: 0.6295691168875381

minimum gb energy = 0.4779108852536931 eV
minimum distance =  2.64401357005115 Angstroms
sigma value = 23