Model name: model_name=EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5162327885627747
cohesive_energy=4.87669557134166
mass=58.6934
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: 0.022547501874775524
Energy: 0.488732142217116
Energy: 0.48873214221406025
Energy: 0.022547501874775524
Energy: 0.488732142217116
Energy: 0.48873214221406025
Energy: 0.022547501874775524
Energy: 0.48873214221558814
Energy: 0.48873214221406025
Energy: 0.022547501874775524
Energy: 0.48649378638826973
Energy: 0.026703712611099287
Energy: 0.4862349244737726
Energy: 0.48649378638826973
Energy: 0.02670371261262714
Energy: 0.48623492447224476
Energy: 0.4864937863867419
Energy: 0.026703712611099287
Energy: 0.4862349244737726
Energy: 0.48649378638826973
Energy: 1.1552834888028862
Energy: 0.28916892390983456
Energy: 0.8643117736524725
Energy: 1.1552658369140167
Energy: 0.2891689239128903
Energy: 0.6156085270087983
Energy: 1.1553684487395757
Energy: 0.2891689239113624
Energy: 0.3163203330126187
Energy: 1.1553774557791343
Energy: 0.4864937863897976
Energy: 0.48623492447071687
Energy: 0.02670371260957143
Energy: 0.48649378638826973
Energy: 0.48623492447224476
Energy: 0.02670371261262714
Energy: 0.4864937863897976
Energy: 0.4862349244737726
Energy: 0.02670371261262714
Energy: 0.4864937863897976
Energy: 0.02254750187324767
Energy: 0.48873214221558814
Energy: 0.4887321422125324
Energy: 0.022547501874775524
Energy: 0.48873214221406025
Energy: 0.48873214221406025
Energy: 0.02254750187324767
Energy: 0.48873214221558814
Energy: 0.4887321422125324
Energy: 0.022547501874775524
Energy: 0.4864937863897976
Energy: 0.02670371261262714
Energy: 0.48623492447224476
Energy: 0.4864937863897976
Energy: 0.02670371260957143
Energy: 0.4862349244737726
Energy: 0.4864937863897976
Energy: 0.02670371261262714
Energy: 0.4862349244737726
Energy: 0.4864937863897976
Energy: 1.155361797091983
Energy: 0.8294369289535992
Energy: 0.2891689239128903
Energy: 1.155283692407839
Energy: 0.8604550846065608
Energy: 0.28916892390983456
Energy: 1.1552883101788993
Energy: 0.28916892391591126
Energy: 0.8643117736540004
Energy: 1.1553807433929142

minimum gb energy = 0.02254750187324767 eV
minimum distance =  2.22859312826744 Angstroms
sigma value = 3


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

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Energy: 1.3876458866483514
Energy: 1.3887696114522181
Energy: 1.0605548092170898
Energy: 1.3876458866520938
Energy: 1.3887696114484758
Energy: 1.2679257702827416
Energy: 1.3876458866558363
Energy: 1.3887696114522181
Energy: 1.0605548092208321
Energy: 1.1881253889207535
Energy: 1.2071154618551472
Energy: 1.3331372555819496
Energy: 1.188125388924496
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Energy: 1.3331372555819496
Energy: 1.188125388931981
Energy: 1.3463107455666168
Energy: 1.4098635161742208
Energy: 1.347789483944419
Energy: 1.313523992270299
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Energy: 1.3463107455553893
Energy: 1.4098635161704787
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Energy: 1.3135239922590716
Energy: 1.3900297389811587
Energy: 1.3867656890845548
Energy: 1.0609642271131734
Energy: 1.3900297389961287
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Energy: 1.390029738992386
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Energy: 1.0041088542485754
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Energy: 1.4164009013579801
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Energy: 1.2751647686709755
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Energy: 1.5399701863344732
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Energy: 1.0612659440018335
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Energy: 1.1654690201342355
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Energy: 1.1654690201342355
Energy: 1.0696646082498094
Energy: 1.3987795182198985
Energy: 1.0042902307394708
Energy: 1.3928324765553992
Energy: 1.387447253176225
Energy: 1.0042902307282433
Energy: 1.379431554791349
Energy: 1.3842667314647716
Energy: 1.0042902307245007
Energy: 1.3928324765590736
Energy: 1.3874472531612554
Energy: 1.004290230735728
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Energy: 1.0608368109391717
Energy: 1.4688537677841367
Energy: 1.477431334337446
Energy: 1.0608368109429143
Energy: 1.4688537677766518
Energy: 1.4774313343299608
Energy: 1.0608368109391717
Energy: 1.4688537677841367
Energy: 1.4774313343262184
Energy: 1.5076575377393504
Energy: 1.4978930934080283
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Energy: 1.507657537743093
Energy: 1.4978930934042858
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Energy: 1.507657537743093
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Energy: 1.5076575377393504
Energy: 1.276140395883544
Energy: 1.420106636392228
Energy: 1.2072003900152986
Energy: 1.2761403958798017
Energy: 1.420106636392228
Energy: 1.2071974671235994
Energy: 1.2761403958723165
Energy: 1.420106636384743
Energy: 1.2072003900003285
Energy: 1.2761403958685742
Energy: 1.1653763409208884
Energy: 1.3876458866483514
Energy: 1.3887696114447332
Energy: 1.166008662012488
Energy: 1.3876458866520938
Energy: 1.3887696114447332
Energy: 1.1653763408984334
Energy: 1.3876458866595789
Energy: 1.3887696114484758
Energy: 1.166008662012488
Energy: 1.1881253889207535
Energy: 1.2071154618439197
Energy: 1.333137255585692
Energy: 1.188125388924496
Energy: 1.2071154618551472
Energy: 1.333137255578207
Energy: 1.1881253889282386
Energy: 1.2071154618514046
Energy: 1.3331372555819496
Energy: 1.188125388931981
Energy: 1.387012616921362
Energy: 1.4098635161779633
Energy: 1.3477894839294493
Energy: 1.3426104877851037
Energy: 1.4098635161779633
Energy: 1.3477894839369342
Energy: 1.3870126169101344
Energy: 1.4098635161779633
Energy: 1.3477894839331916
Energy: 1.3426104877813612
Energy: 1.3900297389886436
Energy: 1.3867656890845548
Energy: 1.0609642271131734
Energy: 1.390029738992386
Energy: 1.3867656891032671
Energy: 1.060964227116916
Energy: 1.390029738992386
Energy: 1.3867656890845548
Energy: 1.060964227116916
Energy: 1.390029738992386

minimum gb energy = 1.0041088542485754 eV
minimum distance =  2.29659877172775 Angstroms
sigma value = 75


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

Energy: 1.5399653015101495
Energy: 1.1914948031326895
Energy: 1.1914651604947724
Energy: 1.482374854327817
Energy: 1.1914948031345154
Energy: 1.191465160498425
Energy: 1.5399653015228996
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minimum gb energy = 1.1911652000169062 eV
minimum distance =  2.19430041067546 Angstroms
sigma value = 105


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

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Energy: 1.449832907424936
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Energy: 1.3635274345078245
Energy: 1.4207915778891258
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Energy: 1.4207915778850055
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Energy: 1.3635274344995836
Energy: 1.4207915778808853
Energy: 1.3380453058644648
Energy: 1.4351385664117207
Energy: 1.4423116786532424
Energy: 1.3380453058644648
Energy: 1.4351430076765328
Energy: 1.4423116786532424
Energy: 1.3380453058624047
Energy: 1.4351385664076002
Energy: 1.4423116786594232
Energy: 1.3380453058644648
Energy: 1.4108070571830038
Energy: 1.438183946151681
Energy: 1.4333268075518546
Energy: 1.4108070571809435
Energy: 1.4381835100340414
Energy: 1.4333268075559749
Energy: 1.4108070571727032
Energy: 1.438183946151681
Energy: 1.4333268075518546
Energy: 1.4108070571768234
Energy: 1.3915448353587703
Energy: 1.4203362400918693
Energy: 1.3551892255028033
Energy: 1.3915448353567104
Energy: 1.4203362400918693
Energy: 1.3551892255048636
Energy: 1.3915448353649509
Energy: 1.420336240089809
Energy: 1.3551892254986833
Energy: 1.3915448353587703
Energy: 1.4161400554306325
Energy: 1.4431779884441935
Energy: 1.43617213413261
Energy: 1.4161400554326926
Energy: 1.4431518544067647
Energy: 1.43617213413055
Energy: 1.4161400554244523
Energy: 1.4431779884441935
Energy: 1.4361721341284897
Energy: 1.4161400554265122
Energy: 1.5114657465667514
Energy: 1.4694074830271104
Energy: 1.513026800806512
Energy: 1.5114657465667514
Energy: 1.4694198128723943
Energy: 1.5130268008023917
Energy: 1.5114657465626309
Energy: 1.4694074830332908
Energy: 1.513026800806512
Energy: 1.5114657465626309
Energy: 1.4487848041969347
Energy: 1.4121972378524321
Energy: 1.4515658144039436
Energy: 1.4487848041969347
Energy: 1.4121998594140712
Energy: 1.4515658144039436
Energy: 1.4487848041989948
Energy: 1.4121972378544922
Energy: 1.4515658143998234
Energy: 1.4487848041948743

minimum gb energy = 1.3271205860107906 eV
minimum distance =  2.25374318813226 Angstroms
sigma value = 165


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

Energy: 1.321722921711565
Energy: 1.4252498847815624
Energy: 1.4255662177371264
Energy: 1.3217229217172226
Energy: 1.4252498847766117
Energy: 1.4255662177371264
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Energy: 1.4255662177371264
Energy: 1.3217229217172226
Energy: 1.433552815861425
Energy: 1.3350980434495232
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Energy: 1.477061106068475
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Energy: 1.3350980434509376
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Energy: 1.4090200106706856
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Energy: 1.5558105415932946
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Energy: 1.3342705601170592
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Energy: 1.3928934963992932
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Energy: 1.334127247090495
Energy: 1.4304687390545263
Energy: 1.5571214116698735
Energy: 1.3341272470926169
Energy: 1.4304687390601842
Energy: 1.557121411679068
Energy: 1.3341272470912022
Energy: 1.4304687390545263
Energy: 1.5571214116705805
Energy: 1.4090923880546347
Energy: 1.2798118757595365
Energy: 1.5021162016953216
Energy: 1.4090923880525128
Energy: 1.2798118757906558
Energy: 1.5021162016981504
Energy: 1.4090923880546347
Energy: 1.279811875765902
Energy: 1.502116201704516
Energy: 1.4090923880489765
Energy: 1.4337433672217266
Energy: 1.477087519981115
Energy: 1.3351333131774086
Energy: 1.4337433672252629
Energy: 1.4770875199761642
Energy: 1.3351333131759942
Energy: 1.4337433672217266
Energy: 1.477087519981115
Energy: 1.3351333131774086
Energy: 1.4337433672238484
Energy: 1.321722921715101
Energy: 1.4252498847759043
Energy: 1.4255662177286392
Energy: 1.3217229217207593
Energy: 1.4252498847695387
Energy: 1.425566217727932
Energy: 1.3217229217129793
Energy: 1.425249884775197
Energy: 1.4255662177286392
Energy: 1.3217229217207593

minimum gb energy = 1.2797879564730883 eV
minimum distance =  2.28068660037464 Angstroms
sigma value = 41


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

Energy: 1.5255112647619737
Energy: 1.3400290172278024
Energy: 1.3408473511171937
Energy: 1.4390011058504248
Energy: 1.340029017222314
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Energy: 1.3770006082901893
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Energy: 1.353543517231733
Energy: 1.37700060830391
Energy: 1.2812395685363507
Energy: 1.1863268866593368
Energy: 1.2164984254583138
Energy: 1.2812395685336069
Energy: 1.1863268866675694
Energy: 1.216916064935457
Energy: 1.2812395685363507
Energy: 1.186326886662081
Energy: 1.2164984254363609
Energy: 1.281239568539095
Energy: 1.305406606169664
Energy: 1.3355010971384917
Energy: 1.210933995711054
Energy: 1.3054066061806409
Energy: 1.33550109714398
Energy: 1.2108826998169855
Energy: 1.3054066061833849
Energy: 1.3355010971330035
Energy: 1.210933995711054
Energy: 1.3054066061778966
Energy: 1.208227132598836
Energy: 1.5302315148301917
Energy: 1.2423271219264034
Energy: 1.2082271325933478
Energy: 1.5302315148247037
Energy: 1.242327121920915
Energy: 1.208227132598836
Energy: 1.530231514813727
Energy: 1.242327121912683
Energy: 1.2082271326070684
Energy: 1.2102255438235117
Energy: 1.2082489443069744
Energy: 1.206451052502355
Energy: 1.2102255438043028
Energy: 1.208248944317951
Energy: 1.2064510524913787
Energy: 1.2102255438043028
Energy: 1.2082489443124624
Energy: 1.2064510524858905
Energy: 1.2102255438180232
Energy: 1.2177175616735538
Energy: 1.3057196679561518
Energy: 1.285318192673896
Energy: 1.2177175616708096
Energy: 1.305719667958896
Energy: 1.2853181926684076
Energy: 1.2177175616789921
Energy: 1.3057196679753609
Energy: 1.285318192673896
Energy: 1.2177175616625773
Energy: 1.353631126561629
Energy: 1.1685868381864148
Energy: 1.3227609562330669
Energy: 1.353631126567117
Energy: 1.1685868381809266
Energy: 1.3227609562330669
Energy: 1.3536311265533965
Energy: 1.1685868381946471
Energy: 1.3227609562385552
Energy: 1.353631126561629
Energy: 1.341889778314039
Energy: 1.3301879639016985
Energy: 1.4796836586056
Energy: 1.3418897783304542
Energy: 1.3301879639044427
Energy: 1.438219628865147
Energy: 1.3418897783304542
Energy: 1.3301879639153693
Energy: 1.4796836585891353
Energy: 1.3418897783194774
Energy: 1.1697415214363316
Energy: 1.340389742340223
Energy: 1.2782044476248262
Energy: 1.1697415214418199
Energy: 1.3588070684016162
Energy: 1.2487310000114955
Energy: 1.1697415214418199
Energy: 1.3403897423292468
Energy: 1.2782044476193382
Energy: 1.1697415214418199
Energy: 1.1698438366914223
Energy: 1.2369108459002511
Energy: 1.237003932481165
Energy: 1.1698438366914223
Energy: 1.2369130904238497
Energy: 1.2362882875250172
Energy: 1.169843836680446
Energy: 1.2369108459057394
Energy: 1.237003932486653
Energy: 1.169843836680446
Energy: 1.1913015429219043
Energy: 1.2091388154241587
Energy: 1.2057583272182983
Energy: 1.19130154291916
Energy: 1.2091414124809303
Energy: 1.2057583272182983
Energy: 1.1913015429164158
Energy: 1.2091388154543439
Energy: 1.2057583272182983
Energy: 1.19130154291916
Energy: 1.401096240237063
Energy: 1.2097910787206931
Energy: 1.286057639019443
Energy: 1.401096240217854
Energy: 1.2098358034424597
Energy: 1.2860576390167486
Energy: 1.4010962402151101
Energy: 1.209791078717949
Energy: 1.2860576390167486
Energy: 1.4010962402233424
Energy: 1.330912331591565
Energy: 1.342756626378156
Energy: 1.209583847371256
Energy: 1.3309123315805882
Energy: 1.342756626375412
Energy: 1.2095838473822325
Energy: 1.3309123315696119
Energy: 1.342756626378156
Energy: 1.209583847371256
Energy: 1.3309123315778442

minimum gb energy = 1.1660662382001394 eV
minimum distance =  2.2183415688216 Angstroms
sigma value = 185


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

Energy: 1.2134022933217297
Energy: 0.698888894316879
Energy: 0.7057777502848567
Energy: 0.8125355415443208
Energy: 0.6988888943201363
Energy: 0.705777750294629
Energy: 1.2134022933184725
Energy: 0.6988888943136216
Energy: 0.7057777503011438
Energy: 0.8125355415443208
Energy: 1.1035535760756696
Energy: 0.697101017035295
Energy: 1.029487020472632
Energy: 0.8331859878691675
Energy: 0.6971010170320376
Energy: 0.8550351828095913
Energy: 1.1035535760853827
Energy: 0.6971010170255229
Energy: 1.0294870204661173
Energy: 0.8331859878756822
Energy: 0.9242508731420818
Energy: 0.6945107852436432
Energy: 0.7560919837679291
Energy: 0.7986059914740704
Energy: 0.6945107852371283
Energy: 0.9210046319460933
Energy: 0.9242508731518541
Energy: 0.6945107852534153
Energy: 0.7560919837711866
Energy: 0.7986059914642981
Energy: 1.1607641745440473
Energy: 0.710392790378797
Energy: 0.8849603538427095
Energy: 1.1607641745440473
Energy: 0.7103927903820544
Energy: 0.9794982197366653
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Energy: 0.7103927903853119
Energy: 0.8849603538524817
Energy: 1.1607641745440473
Energy: 0.7131465082873643
Energy: 0.6983680885289468
Energy: 0.7486636191647214
Energy: 0.7131465082841069
Energy: 0.6983680885322043
Energy: 0.8337432946017009
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Energy: 0.6983680885322043
Energy: 0.7486636191679787
Energy: 0.7131465082841069
Energy: 0.8986813043760942
Energy: 1.0214345154677211
Energy: 0.8953853953635994
Energy: 0.8986813043695794
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Energy: 0.8986813043826091
Energy: 0.7105513469300317
Energy: 0.9361414793707542
Energy: 1.1544124604603527
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Energy: 0.9261140747822804
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Energy: 0.9361414793674969
Energy: 1.1544124604505805
Energy: 0.7105513469267744
Energy: 0.9192886528092764
Energy: 0.850402246986611
Energy: 0.7071598478047726
Energy: 0.9192886528255635
Energy: 0.8924573776550553
Energy: 0.7071598478145449
Energy: 0.9192886528223061
Energy: 0.8504022469963833
Energy: 0.7071598478047726
Energy: 0.9192886528125338
Energy: 0.9166497307612693
Energy: 0.9478577340590566
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Energy: 0.8712536471280867
Energy: 0.9369791303153941
Energy: 0.7098871415430482
Energy: 0.9166497307612693
Energy: 0.9478577340492844
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Energy: 0.8712536471280867
Energy: 0.8924928648821084
Energy: 0.8840603202109428
Energy: 0.6978555467829864
Energy: 0.8604631964663684
Energy: 0.8020751965123609
Energy: 0.6978555467862438
Energy: 0.8924928648918805
Energy: 0.8840603202207151
Energy: 0.6978555467829864
Energy: 0.8604631964696258
Energy: 1.0084145283451087
Energy: 1.1267750800987373
Energy: 0.6991352071751197
Energy: 0.8510465179935721
Energy: 1.126775080101995
Energy: 0.6991352071751197
Energy: 1.0084145283451087
Energy: 1.1267750800987373
Energy: 0.6991352071816345
Energy: 0.8510465179805425
Energy: 1.0087477590166847
Energy: 0.6988888943136216
Energy: 0.7057777502815993
Energy: 0.8120933841006246
Energy: 0.6988888943201363
Energy: 0.7057777502881142
Energy: 1.0087477590231995
Energy: 0.6988888943103642
Energy: 0.7057777502913716
Energy: 0.8120933841006246
Energy: 0.9900236494677948
Energy: 0.6971010170418098
Energy: 0.799065605895093
Energy: 0.8720269494390563
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Energy: 0.8781104525251415
Energy: 0.990023649471052
Energy: 0.6971010170287802
Energy: 0.7990656056215896
Energy: 0.8720269494326007
Energy: 0.8924831196896886
Energy: 0.6945107852469005
Energy: 0.8075373484301029
Energy: 0.8605004476431467
Energy: 0.6945107852403858
Energy: 0.8892801770610399
Energy: 0.8924831196896886
Energy: 0.6945107852534153
Energy: 0.8075373484203308
Energy: 0.8605004476268596
Energy: 1.1607641745440473
Energy: 0.7103927903853119
Energy: 0.9367960734209027
Energy: 1.1607641745440473
Energy: 0.7103927903853119
Energy: 0.9357261918278986
Energy: 1.1607641745538197
Energy: 0.7103927903885693
Energy: 0.9367960734078729
Energy: 1.160764174547305
Energy: 0.7131465082808495
Energy: 0.6983680885354617
Energy: 0.8924885015987399
Energy: 0.7131465082808495
Energy: 0.6983680885387191
Energy: 0.8538371015640475
Energy: 0.7131465082841069
Energy: 0.6983680885354617
Energy: 0.8924885016085122
Energy: 0.7131465082808495
Energy: 0.8986813043728368
Energy: 0.9721385516499743
Energy: 0.9768962816611189
Energy: 0.8986813043695794
Energy: 0.9702466531577418
Energy: 0.8948209683235864
Energy: 0.8986813043760942
Energy: 0.9721385516630038
Energy: 0.9768962816611189
Energy: 0.8986813043858665
Energy: 0.7105513469267744
Energy: 0.9792110346589228
Energy: 1.1544124604603527
Energy: 0.710551346923517
Energy: 0.8853194061087081
Energy: 1.1544124604408676
Energy: 0.7105513469202596
Energy: 0.9792110346621801
Energy: 1.1544124604505805
Energy: 0.710551346923517
Energy: 0.9192886528157912
Energy: 0.8333392511045077
Energy: 0.7071598477950004
Energy: 0.9192886528255635
Energy: 0.7488508858079662
Energy: 0.70715984780803
Energy: 0.9192886528223061
Energy: 0.8333392511012503
Energy: 0.7071598478015152
Energy: 0.9192886528125338
Energy: 0.8761679556902918
Energy: 0.9781304477312679
Energy: 0.709887141549563
Energy: 0.9793202340165885
Energy: 0.844344621427144
Energy: 0.709887141549563
Energy: 0.8761679556870344
Energy: 0.9781304477280104
Energy: 0.7098871415560779
Energy: 0.9793202340133311
Energy: 0.9242456202925351
Energy: 0.9148217780447191
Energy: 0.6978555467797292
Energy: 0.7986106930382053
Energy: 0.750792633828912
Energy: 0.6978555467829864
Energy: 0.9242456202925351
Energy: 0.9148217780479765
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Energy: 0.7986106930349479
Energy: 1.1062374802262693
Energy: 1.12677508009548
Energy: 0.6991352071751197
Energy: 0.8405808066662356
Energy: 1.126775080101995
Energy: 0.6991352071718623
Energy: 1.1062374802295267
Energy: 1.12677508009548
Energy: 0.6991352071881493
Energy: 0.8405808066760078
Energy: 1.2134022933119577
Energy: 0.6988888943201363
Energy: 0.7057777502815993
Energy: 0.8125355415345485
Energy: 0.6988888943266511
Energy: 0.705777750294629
Energy: 1.2134022933119577
Energy: 0.6988888943136216
Energy: 0.7057777502913716
Energy: 0.8125355415345485
Energy: 1.103553576072412
Energy: 0.6971010170385525
Energy: 1.0294870204661173
Energy: 0.8331859878561378
Energy: 0.6971010170320376
Energy: 0.8550351828128487
Energy: 1.1035535760853827
Energy: 0.6971010170255229
Energy: 1.0294870204628597
Energy: 0.8331859878756822
Energy: 0.9242508731420818
Energy: 0.6945107852436432
Energy: 0.7560919837679291
Energy: 0.7986059914773278
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Energy: 0.9210046319460933
Energy: 0.9242508731485967
Energy: 0.6945107852534153
Energy: 0.756091983774444
Energy: 0.7986059914610407
Energy: 1.1607641745440473
Energy: 0.710392790378797
Energy: 0.8849603538427095
Energy: 1.160764174547305
Energy: 0.710392790378797
Energy: 0.9794982197366653
Energy: 1.1607641745538197
Energy: 0.7103927903853119
Energy: 0.8849603538524817
Energy: 1.1607641745440473
Energy: 0.7131465082841069
Energy: 0.6983680885322043
Energy: 0.7486636191582067
Energy: 0.7131465082841069
Energy: 0.6983680885387191
Energy: 0.8337432945984435
Energy: 0.7131465082873643
Energy: 0.6983680885322043
Energy: 0.7486636191647214
Energy: 0.7131465082841069
Energy: 0.8986813043728368
Energy: 1.0214345154709787
Energy: 0.8953853953603419
Energy: 0.898681304366322
Energy: 0.9409672029175173
Energy: 0.9349499708875454
Energy: 0.8986813043728368
Energy: 1.0214345154774935
Energy: 0.8953853953538271
Energy: 0.8986813043826091
Energy: 0.7105513469398039
Energy: 0.9361414793707542
Energy: 1.154412460453838
Energy: 0.7105513469300317
Energy: 0.9261140747822804
Energy: 1.1544124604343526
Energy: 0.7105513469332891
Energy: 0.9361414793674969
Energy: 1.1544124604408676
Energy: 0.7105513469365465
Energy: 0.9192886528027616
Energy: 0.8504022469898684
Energy: 0.7071598477982578
Energy: 0.9192886528125338
Energy: 0.8924573776583126
Energy: 0.7071598478145449
Energy: 0.919288652806019
Energy: 0.8504022470028981
Energy: 0.7071598478047726
Energy: 0.9192886528092764
Energy: 0.9166497307612693
Energy: 0.9478577340525419
Energy: 0.7098871415463056
Energy: 0.8712536471280867
Energy: 0.9369791303153941
Energy: 0.709887141549563
Energy: 0.9166497307580118
Energy: 0.9478577340460269
Energy: 0.7098871415560779
Energy: 0.8712536471313442
Energy: 0.8924928648821084
Energy: 0.8840603202109428
Energy: 0.6978555467862438
Energy: 0.8604631964761407
Energy: 0.8020751965123609
Energy: 0.6978555467862438
Energy: 0.8924928648886232
Energy: 0.8840603202239725
Energy: 0.6978555467797292
Energy: 0.8604631964761407
Energy: 1.008414528338594
Energy: 1.12677508009548
Energy: 0.6991352071718623
Energy: 0.8510465179870573
Energy: 1.126775080101995
Energy: 0.6991352071686049
Energy: 1.008414528338594
Energy: 1.1267750800987373
Energy: 0.699135207178377
Energy: 0.8510465179772851

minimum gb energy = 0.6945107852371283 eV
minimum distance =  2.33083579051125 Angstroms
sigma value = 33


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

Energy: 1.143139641731461
Energy: 1.1833935384536627
Energy: 1.1834600460785496
Energy: 1.114100982794435
Energy: 1.1833935384662129
Energy: 1.1834600460749731
Energy: 1.143139641724308
Energy: 1.1833935384679686
Energy: 1.1834600460713969
Energy: 1.114100982794435
Energy: 1.2054659241810182
Energy: 1.1210813289983639
Energy: 1.1675544143189471
Energy: 1.2054659241721095
Energy: 1.1210813289983639
Energy: 1.1675544143117944
Energy: 1.2054659241685333
Energy: 1.121081329003761
Energy: 1.167554414313615
Energy: 1.2054659241792625
Energy: 1.1646729674661107
Energy: 1.098742608400405
Energy: 1.1275728673164584
Energy: 1.164672967458958
Energy: 1.098742608402161
Energy: 1.1137240997457798
Energy: 1.1646729674750194
Energy: 1.0987426083843437
Energy: 1.1048766518061088
Energy: 1.1646729674821723
Energy: 1.1928709459300322
Energy: 1.1072977723259592
Energy: 1.1341870627041217
Energy: 1.1928709459246352
Energy: 1.1072977723312916
Energy: 1.1341870626916366
Energy: 1.1928709459193028
Energy: 1.1072977723366886
Energy: 1.1341870626862396
Energy: 1.1928709459442728
Energy: 1.14687196399024
Energy: 1.1656604870318135
Energy: 1.099353988425053
Energy: 1.1468719640009692
Energy: 1.1656604870121106
Energy: 1.0993539884161443
Energy: 1.146871963997393
Energy: 1.1656604870335692
Energy: 1.0993539884179
Energy: 1.14687196399024
Energy: 1.1785683252417738
Energy: 1.2220562868688423
Energy: 1.1655544825344972
Energy: 1.1785683252417738
Energy: 1.2220562868759952
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Energy: 1.1193664500290157
Energy: 1.1860843410990487
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Energy: 1.1193582267783766
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Energy: 1.114582024788669
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Energy: 1.1145820247868485
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Energy: 1.14890838543546
Energy: 1.1643459114883294
Energy: 1.0742508526376335
Energy: 1.2281366025712588
Energy: 1.1643459114954824
Energy: 1.0742508526233927
Energy: 1.2281366025766558
Energy: 1.1643459114900852
Energy: 1.0742508526412102
Energy: 1.2281366025766558
Energy: 1.1643459114954824
Energy: 1.1865344002383464
Energy: 1.1209373184413502
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Energy: 1.1537318226720483
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Energy: 1.1820423618532396
Energy: 1.1826541209311743
Energy: 1.1700874158587686
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Energy: 1.1826541209275978
Energy: 1.1700779941631314
Energy: 1.1820423618550604
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Energy: 1.17008741583731
Energy: 1.1820423618514841
Energy: 1.1154006287127298
Energy: 1.1612151169294622
Energy: 1.1359932792047989
Energy: 1.1154006287073979
Energy: 1.1559589865995703
Energy: 1.1358802666357553
Energy: 1.1154006286948477
Energy: 1.1612151169348595
Energy: 1.1359932790671383
Energy: 1.1154006287127298
Energy: 1.0976872252646637
Energy: 1.121071485116178
Energy: 1.1324223038603929
Energy: 1.0976872252932754
Energy: 1.1212215706328057
Energy: 1.1323905083223058
Energy: 1.097687225295096
Energy: 1.1210714851126014
Energy: 1.1324223038514842
Energy: 1.0976872252646637
Energy: 1.1089052509757005
Energy: 1.1333153029570775
Energy: 1.1630799624232302
Energy: 1.1089052509828534
Energy: 1.1333153029445273
Energy: 1.1630799624214745
Energy: 1.108905250991762
Energy: 1.133315302940951
Energy: 1.1630799624232302
Energy: 1.1089052509900064
Energy: 1.1835152549625596
Energy: 1.1149740386370124
Energy: 1.182766112323346
Energy: 1.1835152549625596
Energy: 1.1149740386424096
Energy: 1.1827661123197697
Energy: 1.1835152549625596
Energy: 1.1149740386388332
Energy: 1.182766112317949
Energy: 1.1835152549678916
Energy: 1.1673475496509413
Energy: 1.1393889456018464
Energy: 1.1215744471274773
Energy: 1.1673475496545176
Energy: 1.139388945583964
Energy: 1.1215744471203246
Energy: 1.1673475496580943
Energy: 1.1393889455750554
Energy: 1.1215744471131717
Energy: 1.167347549656273
Energy: 1.1641607215374583
Energy: 1.2312696376460925
Energy: 1.1011269340100558
Energy: 1.1641607215481875
Energy: 1.2312696376478482
Energy: 1.101126934022606
Energy: 1.1641607215517642
Energy: 1.2312696376353633
Energy: 1.1011269340118766
Energy: 1.164160721539214
Energy: 1.159260066067675
Energy: 1.1871700185306535
Energy: 1.106609838309982
Energy: 1.1592600660587664
Energy: 1.1871700185432033
Energy: 1.1066098383064054
Energy: 1.1592600660480368
Energy: 1.1871700185378062
Energy: 1.1066098382885232
Energy: 1.1592600660694956
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Energy: 1.1899525307958911
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Energy: 1.0992754988516142
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Energy: 1.2819320530251377
Energy: 1.1644646331689665
Energy: 1.201260837114128
Energy: 1.281932053023382
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Energy: 1.1859977243538866
Energy: 1.156595836058463
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Energy: 1.1859977243503104
Energy: 1.1565958360477337
Energy: 1.1871829081263323
Energy: 1.1859977243557074
Energy: 1.1565958360548867
Energy: 1.1871829081442147
Energy: 1.1859977243663717
Energy: 1.181669751717673
Energy: 1.1618844709916007
Energy: 1.1505017117685703
Energy: 1.1816697517248258
Energy: 1.1618844710094829
Energy: 1.150501711763173
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Energy: 1.1618844710076621
Energy: 1.1505017117506882
Energy: 1.1816697517086994
Energy: 1.0958780969173207
Energy: 1.1714550538744957
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Energy: 1.1714550538655868
Energy: 1.201015174197525
Energy: 1.0958780969298705
Energy: 1.1714550538727397
Energy: 1.2010151742100104
Energy: 1.0958780969370234

minimum gb energy = 1.0735102674157173 eV
minimum distance =  2.22846033019993 Angstroms
sigma value = 219


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

Energy: 1.3572789497940545
Energy: 1.5294083211808014
Energy: 1.5293941613568773
Energy: 1.357278949795238
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Energy: 1.3940205559324979
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Energy: 1.3722769739806198
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Energy: 1.3552349798531669
Energy: 1.4057716346457345
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Energy: 1.3552349798519834
Energy: 1.3553830930819926
Energy: 1.5362913200005626
Energy: 1.5045231824331171
Energy: 1.3553830930808088
Energy: 1.536291320001746
Energy: 1.5045231824343008
Energy: 1.355383093083176
Energy: 1.536291319999379
Energy: 1.5045231824343008
Energy: 1.3553830930808088
Energy: 1.464679706667775
Energy: 1.4552710146138306
Energy: 1.54101221556483
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Energy: 1.4552710146173808
Energy: 1.5410122155624633
Energy: 1.464679706667775
Energy: 1.4552710146150138
Energy: 1.54101221556483
Energy: 1.464679706667775

minimum gb energy = 1.3552349798460661 eV
minimum distance =  2.24764301133573 Angstroms
sigma value = 15


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

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Energy: 1.6524408616510449
Energy: 1.608492471176641
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Energy: 1.6458788022759612
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Energy: 1.5794721240280147
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Energy: 1.5794721240127756
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Energy: 1.6019718181679474
Energy: 1.5795679448005628
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minimum gb energy = 1.5660230237568415 eV
minimum distance =  2.19141781976792 Angstroms
sigma value = 293


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

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Energy: 1.6011643781315779
Energy: 1.680572488523758
Energy: 1.6902602704054837
Energy: 1.5872011179279135
Energy: 1.667102722500639
Energy: 1.69026027041083
Energy: 1.58720111792524
Energy: 1.6805724885317777
Energy: 1.69026027041083
Energy: 1.5872011179225671
Energy: 1.6671027224926194
Energy: 1.6241282593710982
Energy: 1.643225929601447
Energy: 1.6382435213524293
Energy: 1.617732732848274
Energy: 1.6432259295934275
Energy: 1.6382435213551025
Energy: 1.624128259379118
Energy: 1.643225929601447
Energy: 1.6382435213604487
Energy: 1.617732732848274
Energy: 1.6694298446724172
Energy: 1.588212169239654
Energy: 1.6716615549425555
Energy: 1.669429844680437
Energy: 1.5882121692209419
Energy: 1.6716615549372091
Energy: 1.6694298446777636
Energy: 1.5882121692182687
Energy: 1.6716615549345362
Energy: 1.6694298446724172
Energy: 1.5947501459703093
Energy: 1.5790695304926898
Energy: 1.5910996365378869
Energy: 1.5947501459703093
Energy: 1.5786387651764335
Energy: 1.5910996365459065
Energy: 1.5947501459649631
Energy: 1.5790695304900166
Energy: 1.591099636535214
Energy: 1.5947501459756557
Energy: 1.6535744393582061
Energy: 1.5787115948514874
Energy: 1.7246302212515652
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Energy: 1.6535744393635525
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Energy: 1.6535744393635525
Energy: 1.7610344244757286
Energy: 1.597429362653046
Energy: 1.6147585357432086
Energy: 1.7610344244677092
Energy: 1.5974293626583926
Energy: 1.6147585357458818
Energy: 1.761034424470382
Energy: 1.597429362663739
Energy: 1.6147585357432086
Energy: 1.7610344244677092
Energy: 1.7243944290072108
Energy: 1.7109833852499485
Energy: 1.6572435723825185
Energy: 1.7243944290205768
Energy: 1.7109833852419292
Energy: 1.6572413159056587
Energy: 1.7243944290098843
Energy: 1.7109833852419292
Energy: 1.657243572374499
Energy: 1.7243944290072108
Energy: 1.5881966137539978
Energy: 1.6251648615548584
Energy: 1.727687136825363
Energy: 1.588196613756671
Energy: 1.6251648615575316
Energy: 1.727687136825363
Energy: 1.5881966137539978
Energy: 1.6251648615602048
Energy: 1.7276871368307096
Energy: 1.5881966137593444
Energy: 1.7282993084886067
Energy: 1.6160455810541572
Energy: 1.6158212440233974
Energy: 1.7282993084912799
Energy: 1.6160455810461374
Energy: 1.6158212440260704
Energy: 1.72829930848326
Energy: 1.6160455810434642
Energy: 1.6158212440313682
Energy: 1.7282993084886067
Energy: 1.5880418954381468
Energy: 1.692996471556507
Energy: 1.651570987061215
Energy: 1.5880418954381468
Energy: 1.6929964715538335
Energy: 1.6515709870558686
Energy: 1.5880418954354736
Energy: 1.6929964715591799
Energy: 1.651570987061215
Energy: 1.5880418954354736
Energy: 1.7074307608837143
Energy: 1.6552926165300461
Energy: 1.7134334390678172
Energy: 1.707430760881041
Energy: 1.6552926165353927
Energy: 1.7134334390678172
Energy: 1.707430760881041
Energy: 1.6552926165327195
Energy: 1.7134334390731634
Energy: 1.7074307608730215
Energy: 1.7944352336605
Energy: 1.6095859967948085
Energy: 1.591469200966877
Energy: 1.7944352336551537
Energy: 1.6095859967867892
Energy: 1.5914067392837763
Energy: 1.794435233657827
Energy: 1.6095859967948085
Energy: 1.5914692009722236
Energy: 1.7944352336658465
Energy: 1.6571893723057758
Energy: 1.6385096344987498
Energy: 1.5784999135948627
Energy: 1.6571893723137952
Energy: 1.6385096344987498
Energy: 1.5784999135948627
Energy: 1.6571893723164683
Energy: 1.6385096344987498
Energy: 1.5784999135975357
Energy: 1.6571893723191418

minimum gb energy = 1.5784416138201138 eV
minimum distance =  2.23394596311517 Angstroms
sigma value = 293


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

Energy: 1.6319914837785445
Energy: 1.634150288174992
Energy: 1.6341767637523148
Energy: 1.6319914837804772
Energy: 1.6341502881788572
Energy: 1.6341767637460338
Energy: 1.6319914837780614
Energy: 1.634150288174992
Energy: 1.634176763752798
Energy: 1.6319914837809604
Energy: 1.6310750702249606
Energy: 1.632923829526104
Energy: 1.6338403820228693
Energy: 1.6310750702196457
Energy: 1.6329238295217554
Energy: 1.633840382021903
Energy: 1.6310750702249606
Energy: 1.632923829526104
Energy: 1.6338403820228693
Energy: 1.6310750702201289
Energy: 1.631482313797268
Energy: 1.6318308311495497
Energy: 1.576279478119866
Energy: 1.6314823137977512
Energy: 1.6318308311543812
Energy: 1.5762861229829137
Energy: 1.6314823137967849
Energy: 1.6318308311505159
Energy: 1.5762752641044837
Energy: 1.6314823137977512
Energy: 1.576016380685984
Energy: 1.631846986743965
Energy: 1.631472592451036
Energy: 1.5760194560038525
Energy: 1.631846986741549
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Energy: 1.5760304559503608
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Energy: 1.57603088341704
Energy: 1.633838541663366
Energy: 1.6329140823085095
Energy: 1.6310802205074335
Energy: 1.633838541662883
Energy: 1.6329140823056105
Energy: 1.6310802205112989
Energy: 1.633838541663366
Energy: 1.632914082308993
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Energy: 1.633838541662883
Energy: 1.6341502881793404
Energy: 1.6341767637460338
Energy: 1.6319914837780614
Energy: 1.634150288174992
Energy: 1.634176763752798
Energy: 1.6319914837809604
Energy: 1.6341502881788572
Energy: 1.6341767637465172
Energy: 1.6319914837780614
Energy: 1.634150288174509
Energy: 1.6329238295212722
Energy: 1.6338403820223864
Energy: 1.6310750702244772
Energy: 1.6329238295265869
Energy: 1.6338403820228693
Energy: 1.6310750702201289
Energy: 1.6329238295217554
Energy: 1.633840382021903
Energy: 1.6310750702249606
Energy: 1.632923829526104
Energy: 1.631830831153898
Energy: 1.5762753622216445
Energy: 1.631482313797268
Energy: 1.6318308311505159
Energy: 1.5762642714469195
Energy: 1.6314823137982344
Energy: 1.6318308311543812
Energy: 1.5762823440370273
Energy: 1.631482313797268
Energy: 1.631830831150033
Energy: 1.631846986741549
Energy: 1.6314725924500697
Energy: 1.5760032257996262
Energy: 1.6318469867434815
Energy: 1.631472592451519
Energy: 1.5760062358191849
Energy: 1.631846986741549
Energy: 1.6314725924505529
Energy: 1.5760178773909286
Energy: 1.631846986743965
Energy: 1.6329140823056105
Energy: 1.6310802205112989
Energy: 1.6338385416638492
Energy: 1.6329140823085095
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Energy: 1.631080220511782
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Energy: 1.6329140823080266
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Energy: 1.6319914837804772
Energy: 1.6341502881788572
Energy: 1.6341767637460338
Energy: 1.6319914837785445
Energy: 1.634150288174992
Energy: 1.634176763752798
Energy: 1.6319914837814433
Energy: 1.6341502881788572
Energy: 1.6341767637465172
Energy: 1.6338403820228693
Energy: 1.6310750702196457
Energy: 1.6329238295217554
Energy: 1.633840382021903
Energy: 1.6310750702249606
Energy: 1.632923829526104
Energy: 1.6338403820223864
Energy: 1.6310750702201289
Energy: 1.6329238295217554
Energy: 1.633840382021903
Energy: 1.5762097610808405
Energy: 1.6314823137982344
Energy: 1.6318308311543812
Energy: 1.5762477221130875
Energy: 1.631482313797268
Energy: 1.6318308311505159
Energy: 1.576268100351079
Energy: 1.6314823137977512
Energy: 1.631830831153898
Energy: 1.5762819339932481
Energy: 1.6314725924520022
Energy: 1.5761830023270933
Energy: 1.631846986741549
Energy: 1.6314725924495865
Energy: 1.5761926964067114
Energy: 1.6318469867434815
Energy: 1.6314725924520022
Energy: 1.5761991975613938
Energy: 1.6318469867420322
Energy: 1.6314725924505529
Energy: 1.6310802205074335
Energy: 1.6338385416623997
Energy: 1.632914082306094
Energy: 1.6310802205112989
Energy: 1.633838541663366
Energy: 1.6329140823085095
Energy: 1.6310802205079167
Energy: 1.6338385416623997
Energy: 1.632914082306094
Energy: 1.631080220511782
Energy: 1.6319914837785445
Energy: 1.634150288174509
Energy: 1.634176763752798
Energy: 1.6319914837809604
Energy: 1.6341502881788572
Energy: 1.6341767637465172
Energy: 1.6319914837785445
Energy: 1.634150288174992
Energy: 1.634176763752798
Energy: 1.6319914837809604
Energy: 1.6310750702249606
Energy: 1.632923829526104
Energy: 1.6338403820228693
Energy: 1.6310750702201289
Energy: 1.6329238295212722
Energy: 1.6338403820223864
Energy: 1.6310750702249606
Energy: 1.632923829526104
Energy: 1.6338403820228693
Energy: 1.6310750702196457
Energy: 1.6314823137977512
Energy: 1.631830831150033
Energy: 1.5763733954385444
Energy: 1.6314823137977512
Energy: 1.6318308311548644
Energy: 1.5761807519667235
Energy: 1.6314823137977512
Energy: 1.6318308311505159
Energy: 1.5761881985836466
Energy: 1.6314823137977512
Energy: 1.5761377738487208
Energy: 1.6318469867444476
Energy: 1.631472592451036
Energy: 1.576144594647872
Energy: 1.631846986741549
Energy: 1.6314725924500697
Energy: 1.5761600723963363
Energy: 1.631846986743965
Energy: 1.6314725924520022
Energy: 1.5761689753210455
Energy: 1.6338385416638492
Energy: 1.6329140823080266
Energy: 1.6310802205074335
Energy: 1.633838541662883
Energy: 1.6329140823056105
Energy: 1.6310802205112989
Energy: 1.633838541663366
Energy: 1.6329140823080266
Energy: 1.6310802205074335
Energy: 1.6338385416623997
Energy: 1.6341502881788572
Energy: 1.6341767637465172
Energy: 1.6319914837785445
Energy: 1.634150288174509
Energy: 1.6341767637523148
Energy: 1.6319914837804772
Energy: 1.6341502881793404
Energy: 1.6341767637465172
Energy: 1.6319914837785445
Energy: 1.634150288174992
Energy: 1.6329238295217554
Energy: 1.633840382021903
Energy: 1.6310750702249606
Energy: 1.632923829526104
Energy: 1.6338403820228693
Energy: 1.6310750702201289
Energy: 1.6329238295217554
Energy: 1.633840382021903
Energy: 1.6310750702249606
Energy: 1.632923829526104

minimum gb energy = 1.5760032257996262 eV
minimum distance =  2.28160490969525 Angstroms
sigma value = 15


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

Energy: 1.6399481384866936
Energy: 1.7031521354046135
Energy: 1.695372781243315
Energy: 1.5882124744859962
Energy: 1.7031521354199046
Energy: 1.6953727812455446
Energy: 1.6399481384779333
Energy: 1.7031521354024635
Energy: 1.6953727812367845
Energy: 1.588212474488226
Energy: 1.6603005445695362
Energy: 1.5481677467706851
Energy: 1.523372816728794
Energy: 1.660300544565156
Energy: 1.5481677467575443
Energy: 1.523372816700283
Energy: 1.6603005445563954
Energy: 1.5481677467728356
Energy: 1.523372816702513
Energy: 1.660300544562926
Energy: 1.5417157386433147
Energy: 1.6211476437769505
Energy: 1.7659517863860648
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Energy: 1.6211476437966217
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Energy: 1.5417157386543048
Energy: 1.6211476437857109
Energy: 1.7659517863620133
Energy: 1.5417157386520752
Energy: 1.5286900112813246
Energy: 1.621388047287907
Energy: 1.5292229360685914
Energy: 1.5286900112681838
Energy: 1.6213880473185687
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Energy: 1.6213880473098081
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Energy: 1.5580959158430778
Energy: 1.5477191129008483
Energy: 1.6659559786795444
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Energy: 1.5580959158124161
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Energy: 1.5580959158234067
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Energy: 1.6107355774242302
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Energy: 1.6971075471791053
Energy: 1.6551142950462365
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Energy: 1.5929488333152502
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Energy: 1.5890615879288836
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Energy: 1.5889607635986394
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Energy: 1.5929488290880103
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Energy: 1.6301556925821579
Energy: 1.5490039022861917
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Energy: 1.6582308837699529
Energy: 1.676873652815899
Energy: 1.5232000937135584
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Energy: 1.6768736528005284
Energy: 1.5231837473695182
Energy: 1.811186964293904
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Energy: 1.523200093706948
Energy: 1.8111869642917535
Energy: 1.676873652818049
Energy: 1.6745888720460285
Energy: 1.5246807363398425
Energy: 1.6414827977632012
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Energy: 1.524680736328852
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Energy: 1.6745888720504085
Energy: 1.5246807363463728
Energy: 1.6414827977916326
Energy: 1.6745888720438782
Energy: 1.525176797230986
Energy: 1.526696580709655
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Energy: 1.5251767972463564
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Energy: 1.5266965807162651
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Energy: 1.6669064685047958
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Energy: 1.6669064684938855
Energy: 1.7129682247460454
Energy: 1.547809058243254
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Energy: 1.6851656446801513
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Energy: 1.5392599609510649
Energy: 1.5370514869232768
Energy: 1.75207657095831
Energy: 1.6658983653756723
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Energy: 1.6658983654019535
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Energy: 1.5225615718443866
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Energy: 1.7924032404795627
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Energy: 1.5488292914100088
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Energy: 1.5488292914187691
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Energy: 1.6049418251014953
Energy: 1.5488292914077788
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Energy: 1.6049418251300065
Energy: 1.6558336819211754
Energy: 1.7082615391707872
Energy: 1.5271424812031493
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Energy: 1.7082615391467357
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Energy: 1.655833681914645
Energy: 1.708261539148886
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Energy: 1.6558336819036548
Energy: 1.6239681394180774
Energy: 1.6245178360880501
Energy: 1.6418562866746151
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Energy: 1.6248703830040114
Energy: 1.6418562866789954
Energy: 1.6239681394180774
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Energy: 1.6239728506649433
Energy: 1.5190201225459268
Energy: 1.6072085907068467
Energy: 1.5150072209294982
Energy: 1.5190201225503068
Energy: 1.6072085907156073
Energy: 1.515007220927348
Energy: 1.5190201225459268
Energy: 1.6072085907046965
Energy: 1.5150072209185876
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Energy: 1.5991393070525888
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Energy: 1.645776330382758
Energy: 1.5991393070525888
Energy: 1.5979320636113958
Energy: 1.6457763303739974
Energy: 1.599139307041678
Energy: 1.5979320636201564
Energy: 1.6457763303630866
Energy: 1.599139307037298
Energy: 1.5483591372178322
Energy: 1.686429777316803
Energy: 1.6291700887138365
Energy: 1.5483693321241936
Energy: 1.6864297773058925
Energy: 1.62732566958962
Energy: 1.5483591371980816
Energy: 1.6864297772927517
Energy: 1.629170088720367
Energy: 1.548369332104443
Energy: 1.6701200148860946
Energy: 1.5182791985323094
Energy: 1.6285433332791202
Energy: 1.670120014890475
Energy: 1.5182791985497504
Energy: 1.6285433332659796
Energy: 1.6701200149036157
Energy: 1.5182791985497504
Energy: 1.6285433332615993
Energy: 1.6701200148926252
Energy: 1.6357231537017518
Energy: 1.7082068075524948
Energy: 1.821436921430094
Energy: 1.6357231537082824
Energy: 1.708206807561255
Energy: 1.8214369214323238
Energy: 1.6357231536973718
Energy: 1.7082068075634054
Energy: 1.8214369214279438
Energy: 1.635723153703902
Energy: 1.6384805582054554
Energy: 1.5212650793860425
Energy: 1.59111798665889
Energy: 1.6401989103767125
Energy: 1.5212794763228483
Energy: 1.5911179866676504
Energy: 1.6384805582142157
Energy: 1.5212650793860425
Energy: 1.5911179866874015
Energy: 1.6401989103810923
Energy: 1.5393559584754655
Energy: 1.5263347914225682
Energy: 1.609881728541593
Energy: 1.5393559584929863
Energy: 1.5263347914269483
Energy: 1.6098817285196918
Energy: 1.5393559584733152
Energy: 1.5263347914357088
Energy: 1.6098817285503535
Energy: 1.5393559584710854
Energy: 1.7409866072561597
Energy: 1.666288982698578
Energy: 1.5529457084146705
Energy: 1.7409866072649203
Energy: 1.666288982696348
Energy: 1.5529567881023982
Energy: 1.7409866072561597
Energy: 1.6662889826919678
Energy: 1.5529457084256608
Energy: 1.7409866072495495
Energy: 1.519850916374368
Energy: 1.667211453763617
Energy: 1.7161739288857696
Energy: 1.5198509163546965
Energy: 1.6672114537613871
Energy: 1.7161739288945301
Energy: 1.5198509163722176
Energy: 1.6672114537876686
Energy: 1.7161739288923001
Energy: 1.5198509163678375
Energy: 1.6399267114670664
Energy: 1.7098653229392122
Energy: 1.5257468265201477
Energy: 1.5881410282545085
Energy: 1.7098653229261511
Energy: 1.525746826535439
Energy: 1.6399267114451652
Energy: 1.709865322956733
Energy: 1.5257468265508094
Energy: 1.5881410282588888
Energy: 1.64013109153375
Energy: 1.5387953950389723
Energy: 1.6895907166888995
Energy: 1.5894371050917435
Energy: 1.5387953950323623
Energy: 1.698732506774849
Energy: 1.6401310915447405
Energy: 1.5387953950433524
Energy: 1.6895907166845194
Energy: 1.5894371051048843
Energy: 1.517878166242379
Energy: 1.66434927017959
Energy: 1.5744616031652092
Energy: 1.5178781662467593
Energy: 1.6643492701642988
Energy: 1.5744616031827299
Energy: 1.5178781662379988
Energy: 1.6643492701862002
Energy: 1.5744616031783496
Energy: 1.5178781662270084
Energy: 1.6232882645593734
Energy: 1.5544565434627755
Energy: 1.7029123380182771
Energy: 1.6232882645615239
Energy: 1.5544565434562447
Energy: 1.702912338029188
Energy: 1.6232882645615239
Energy: 1.5544565434518647
Energy: 1.7029123380401785
Energy: 1.6232882645637536
Energy: 1.5397988299248113
Energy: 1.707592951282309
Energy: 1.53188848435442
Energy: 1.5397988299204308
Energy: 1.7075929512779289
Energy: 1.5316509771555855
Energy: 1.5397988299072902
Energy: 1.70759295129545
Energy: 1.5318884843588003
Energy: 1.5397988299072902
Energy: 1.7704894871535442
Energy: 1.6406176240541641
Energy: 1.522984306143801
Energy: 1.7704894871447838
Energy: 1.6406176240738353
Energy: 1.522984306143801
Energy: 1.770489487149164
Energy: 1.6406176240606944
Energy: 1.5229843061503316
Energy: 1.770489487146934
Energy: 1.7096211629065803
Energy: 1.7098474874580816
Energy: 1.5758562516636045
Energy: 1.7096211629131906
Energy: 1.7098474874668417
Energy: 1.5758562516613748
Energy: 1.7096211629241014
Energy: 1.7098474874756022
Energy: 1.575856251670135
Energy: 1.7096211629153408
Energy: 1.7844892812581614
Energy: 1.6181807084717525
Energy: 1.518194416496053
Energy: 1.7844892812581614
Energy: 1.6181807084739823
Energy: 1.5181944164982033
Energy: 1.7844892812625415
Energy: 1.6181807084717525
Energy: 1.5181944164653915
Energy: 1.7844892812646918
Energy: 1.549600568913736
Energy: 1.6972702867606055
Energy: 1.6431190081631284
Energy: 1.549600568935637
Energy: 1.697270286745235
Energy: 1.6431190081718887
Energy: 1.5496005689072054
Energy: 1.697270286725564
Energy: 1.6431190081565181
Energy: 1.5496005689049752
Energy: 1.7196150309753495
Energy: 1.58854623421887
Energy: 1.5922624279320587
Energy: 1.7196150309665892
Energy: 1.5882809413910117
Energy: 1.5922387739656487
Energy: 1.719615030968819
Energy: 1.5885462342079593
Energy: 1.5922624279429696
Energy: 1.7196150309753495
Energy: 1.5836370389622723
Energy: 1.5159360891700238
Energy: 1.6412047473012858
Energy: 1.5836362633009462
Energy: 1.515936089159113
Energy: 1.6412047473122762
Energy: 1.5836350493120375
Energy: 1.5159360891940752
Energy: 1.641204747325417
Energy: 1.583636500993626
Energy: 1.624167521731698
Energy: 1.700695670513517
Energy: 1.6244397657348517
Energy: 1.624167521733928
Energy: 1.7006956705069862
Energy: 1.6244397657304714
Energy: 1.624167521738308
Energy: 1.7006956705091365
Energy: 1.6244397656931997
Energy: 1.6241675217251677
Energy: 1.6528917479805854
Energy: 1.5208445645472004
Energy: 1.6200313284170724
Energy: 1.6528917480003362
Energy: 1.5208513643410448
Energy: 1.6200313283688899
Energy: 1.652891747995956
Energy: 1.5208445645319093
Energy: 1.6200313283841807
Energy: 1.6528917479849654
Energy: 1.540601977561032
Energy: 1.5353347416671923
Energy: 1.7196248125650007
Energy: 1.5406019775522715
Energy: 1.5353347416715724
Energy: 1.71962481255847
Energy: 1.5406019775544217
Energy: 1.5353347416738024
Energy: 1.71962481255847
Energy: 1.5406019775654123
Energy: 1.6680313034787273
Energy: 1.595142791168738
Energy: 1.5494053294784265
Energy: 1.6680313034896381
Energy: 1.595142791168738
Energy: 1.5494289550427909
Energy: 1.6680313034852579
Energy: 1.5951427911643576
Energy: 1.5494053294718164
Energy: 1.6680313034831076
Energy: 1.5190568480203448
Energy: 1.5986470109887523
Energy: 1.7539537971211183
Energy: 1.5190568480181943
Energy: 1.598647010984372
Energy: 1.7539537971101282
Energy: 1.519056848013814
Energy: 1.5986470109799917
Energy: 1.7539537971035974
Energy: 1.5190568480028237
Energy: 1.5367073927743669
Energy: 1.7133872598851205
Energy: 1.731516149088186
Energy: 1.5882891322951167
Energy: 1.7133872598961113
Energy: 1.7315161490925661
Energy: 1.5367073927699866
Energy: 1.713387259889501
Energy: 1.7315161490838056
Energy: 1.5882891323213186

minimum gb energy = 1.5150072209185876 eV
minimum distance =  2.19130685104187 Angstroms
sigma value = 437


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

Energy: 1.4285817516038257
Energy: 1.6677359219876386
Energy: 1.6676068412995477
Energy: 1.4285817516030277
Energy: 1.6677359219908303
Energy: 1.6676068413011436
Energy: 1.4285817516038257
Energy: 1.6677359219868408
Energy: 1.6676068413003458
Energy: 1.4285817516038257
Energy: 1.6452093071381149
Energy: 1.3968295526962857
Energy: 1.3982476134366866
Energy: 1.6452093071460938
Energy: 1.3968295527010732
Energy: 1.3982476134406765
Energy: 1.6452093071373168
Energy: 1.396829552695488
Energy: 1.3982476134358888
Energy: 1.645209307145296
Energy: 1.577474310711862
Energy: 1.3782924220162092
Energy: 1.7365163973274138
Energy: 1.5774743107086706
Energy: 1.378292422017805
Energy: 1.7365163973250204
Energy: 1.5774743107102662
Energy: 1.3782924220162092
Energy: 1.7365163973290096
Energy: 1.5774743107078726
Energy: 1.5698108203945138
Energy: 1.6522043269938274
Energy: 1.4805864080533484
Energy: 1.5698108203961096
Energy: 1.6522043269858484
Energy: 1.4805864080581357
Energy: 1.5698108203953118
Energy: 1.6522043269954232
Energy: 1.4805864080541462
Energy: 1.5698108203953118
Energy: 1.4867376979512366
Energy: 1.4239014629067839
Energy: 1.6582325821380142
Energy: 1.486737697960013
Energy: 1.4239014629099755
Energy: 1.6582325821420034
Energy: 1.4867376979504388
Energy: 1.4239014629075817
Energy: 1.65823258213562
Energy: 1.486737697960013
Energy: 1.4937938940752222
Energy: 1.642483007829192
Energy: 1.397027184184157
Energy: 1.4937938940768178
Energy: 1.6424830078283943
Energy: 1.397027184188147
Energy: 1.4937938940744244
Energy: 1.642483007829192
Energy: 1.397027184184157
Energy: 1.4937938940768178
Energy: 1.4866493567317018
Energy: 1.44512134639362
Energy: 1.3781956922455645
Energy: 1.4866493567285102
Energy: 1.4451213463920245
Energy: 1.378195692242373
Energy: 1.4866493567253185
Energy: 1.44512134639362
Energy: 1.3781956922439689
Energy: 1.4866493567253185
Energy: 1.4606849217494315
Energy: 1.6707305220934325
Energy: 1.48210048411074
Energy: 1.4606849217494315
Energy: 1.6707305220870492
Energy: 1.4821004840078837
Energy: 1.4606849217550166
Energy: 1.6707305220934325
Energy: 1.4821004840765029
Energy: 1.4606849217470377
Energy: 1.820925726089052
Energy: 1.393717265539865
Energy: 1.4235014018317715
Energy: 1.820925726089052
Energy: 1.393717265539865
Energy: 1.4235014018245904
Energy: 1.8209257260898497
Energy: 1.3937172655422587
Energy: 1.4235014018325693
Energy: 1.8209257260882539
Energy: 1.5637083104560348
Energy: 1.5574159501166736
Energy: 1.571288259790975
Energy: 1.5637083104584286
Energy: 1.5574159501190672
Energy: 1.5712882591649158
Energy: 1.5637083104568328
Energy: 1.5574159501142797
Energy: 1.5712882595907751
Energy: 1.5637083104584286
Energy: 1.5253123006155866
Energy: 1.392824124145068
Energy: 1.4687849775405923
Energy: 1.5253123006179805
Energy: 1.3928241241434722
Energy: 1.4687849775437838
Energy: 1.5253123006171825
Energy: 1.392824124145866
Energy: 1.4687849775405923
Energy: 1.5253123006219698
Energy: 1.5592553226217332
Energy: 1.3946868280270681
Energy: 1.5995772303063422
Energy: 1.559255322623329
Energy: 1.3946868280246745
Energy: 1.5995772303031508
Energy: 1.5592553226241268
Energy: 1.3946868280254725
Energy: 1.5995772303063422
Energy: 1.5592553226265204
Energy: 1.4239725721359915
Energy: 1.866787424844003
Energy: 1.4232870879615847
Energy: 1.4239725721328
Energy: 1.8667874248495884
Energy: 1.4232870879663722
Energy: 1.4239725721351935
Energy: 1.866787424844003
Energy: 1.4232870879607868
Energy: 1.4239725721328
Energy: 1.4165355740627985
Energy: 1.4005351128005448
Energy: 1.4830654253976414
Energy: 1.416535574059607
Energy: 1.4005351128029384
Energy: 1.483065425401631
Energy: 1.4165355740651921
Energy: 1.4005351128005448
Energy: 1.4830654253976414
Energy: 1.4165355740580112

minimum gb energy = 1.378195692242373 eV
minimum distance =  2.21540797116381 Angstroms
sigma value = 33