Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082714140415
cohesive_energy=3.360264268222285
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01181052453894576
Energy: 0.18679397671621933
Energy: 0.18679397671854323
Energy: 0.01181052453894576
Energy: 0.18679397671854323
Energy: 0.18679397671621933
Energy: 0.01181052453894576
Energy: 0.18679397671621933
Energy: 0.18679397671854323
Energy: 0.01181052453894576
Energy: 0.1859986952969538
Energy: 0.012361805006675835
Energy: 0.769383037851837
Energy: 0.18599869529579185
Energy: 0.012361805006675835
Energy: 0.769383037851837
Energy: 0.1859986952969538
Energy: 0.012361805006675835
Energy: 0.769383037851837
Energy: 0.18599869529579185
Energy: 0.8224903176173488
Energy: 0.2973218944934501
Energy: 0.24529979853855177
Energy: 0.3519324662923994
Energy: 0.17395497628357073
Energy: 0.11401315583626014
Energy: 0.7318992762876423
Energy: 0.012725284948775735
Energy: 0.1140131558350982
Energy: 0.731899276291128
Energy: 0.18599869529811572
Energy: 0.7693830378506751
Energy: 0.012361805006675835
Energy: 0.1859986952969538
Energy: 0.7693830378506751
Energy: 0.012361805006675835
Energy: 0.18599869529811572
Energy: 0.7693830378506751
Energy: 0.012361805006675835
Energy: 0.1859986952969538
Energy: 0.01181052453894576
Energy: 0.18679397671970513
Energy: 0.18679397671854323
Energy: 0.01181052453894576
Energy: 0.18679397671854323
Energy: 0.18679397671970513
Energy: 0.01181052453894576
Energy: 0.18679397671970513
Energy: 0.18679397671854323
Energy: 0.01181052453894576
Energy: 0.18599869529811572
Energy: 0.012361805006675835
Energy: 0.769383037851837
Energy: 0.1859986952969538
Energy: 0.012361805006675835
Energy: 0.7693830378506751
Energy: 0.18599869529811572
Energy: 0.012361805006675835
Energy: 0.769383037851837
Energy: 0.1859986952969538
Energy: 0.731899276291128
Energy: 0.11401315583626014
Energy: 0.24529979853971368
Energy: 0.7318992762876423
Energy: 0.17395497628357073
Energy: 0.3392276693567954
Energy: 0.7318992762853185
Energy: 0.17746977789996324
Energy: 0.3392276693556334
Energy: 0.731899276291128

minimum gb energy = 0.01181052453894576 eV
minimum distance =  2.61269465324349 Angstroms
sigma value = 3


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

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Energy: 0.5984531604366303
Energy: 0.5834677501707501
Energy: 0.5071805529612506
Energy: 0.5984531604349226
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Energy: 0.5184162857757272
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Energy: 0.5834677501713194
Energy: 0.5071805529603967
Energy: 0.5528461217867002
Energy: 0.4941737212845658
Energy: 0.5516718080604305
Energy: 0.552846121791254
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Energy: 0.5112066326468068
Energy: 0.5905310009414628
Energy: 0.5836658751984065
Energy: 0.5098601184060682
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Energy: 0.5112066326516451
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Energy: 0.6054614371442971
Energy: 0.6190402845354812
Energy: 0.4493712121576033
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Energy: 0.611643668075406
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Energy: 0.4492441215407711
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Energy: 0.5486443938205089
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Energy: 0.5541455458580344
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Energy: 0.5498634942666546
Energy: 0.4757175987511789
Energy: 0.5477847897729762
Energy: 0.5030223182522042
Energy: 0.4757175987548788
Energy: 0.5477847897695609
Energy: 0.5027341932939525
Energy: 0.4757175987571557
Energy: 0.5477847897675685
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Energy: 0.47571759875601727
Energy: 0.5184162857797117
Energy: 0.5984531604360611
Energy: 0.5834677501684732
Energy: 0.5071805529615351
Energy: 0.5984531604352071
Energy: 0.5834677501656271
Energy: 0.5184162857745888
Energy: 0.5984531604329302
Energy: 0.5834677501676194
Energy: 0.5071805529635275
Energy: 0.5528461217938154
Energy: 0.494173721283712
Energy: 0.5516718080592922
Energy: 0.5528461217941002
Energy: 0.49417372128485043
Energy: 0.5516718080632766
Energy: 0.5528461217932462
Energy: 0.49417372128171977
Energy: 0.5516718080621382
Energy: 0.5528461217972309
Energy: 0.5112066326470913
Energy: 0.5905310009414628
Energy: 0.5836637595150875
Energy: 0.509860118404645
Energy: 0.5905310009397552
Energy: 0.5836644439929628
Energy: 0.5112066326510759
Energy: 0.590531000945732
Energy: 0.5836649965100378
Energy: 0.5098601184054989
Energy: 0.6054614371460048
Energy: 0.6190402845346274
Energy: 0.44937121215959563
Energy: 0.6054614371437278
Energy: 0.6190402845346274
Energy: 0.4493712121581726
Energy: 0.6054614371445816
Energy: 0.6190402845283659
Energy: 0.44937121215589565
Energy: 0.6054614371448663

minimum gb energy = 0.42826709027078763 eV
minimum distance =  2.55821373083407 Angstroms
sigma value = 75


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

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Energy: 0.4651319372714627
Energy: 0.47118825238510753
Energy: 0.5641387299998301
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minimum gb energy = 0.46427209355925114 eV
minimum distance =  2.55385787926768 Angstroms
sigma value = 105


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

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Energy: 0.5417272550365417
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Energy: 0.4999090495375937
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Energy: 0.5243133017381872
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Energy: 0.47279893050159233
Energy: 0.5040737090019984
Energy: 0.5003162283118574
Energy: 0.47659513245756463
Energy: 0.5040737090035651
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Energy: 0.5040737090018275
Energy: 0.5003162283121706
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Energy: 0.5012453380179188
Energy: 0.5439260164446877
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Energy: 0.501245338017463
Energy: 0.5439260164443744
Energy: 0.4991952188801158
Energy: 0.5012453380169787
Energy: 0.5439260164448301
Energy: 0.4991952188804291
Energy: 0.516257113040514
Energy: 0.4942177938831933
Energy: 0.48530408558635013
Energy: 0.5162571130394316
Energy: 0.4942177938836775
Energy: 0.4853040855879169
Energy: 0.5162571130403716
Energy: 0.4942177938833642
Energy: 0.4853040855894836
Energy: 0.516257113039574
Energy: 0.5182173613527438
Energy: 0.5045157423280795
Energy: 0.5069533091090928
Energy: 0.5182173613514902
Energy: 0.5045157423265126
Energy: 0.5069533091097195
Energy: 0.5182173613527438
Energy: 0.5045157423280795
Energy: 0.5069533091089504
Energy: 0.5182173613514902
Energy: 0.5362399517619295
Energy: 0.5308290707796576
Energy: 0.5261893174756462
Energy: 0.5362399517611319
Energy: 0.5308290707801132
Energy: 0.5261893174748772
Energy: 0.5362399517611319
Energy: 0.5308290707805975
Energy: 0.5261893174756462
Energy: 0.5362399517625562
Energy: 0.5281668685074475
Energy: 0.47261442009173055
Energy: 0.5073933002747023
Energy: 0.5281668685093276
Energy: 0.4726144200911039
Energy: 0.507393300273449
Energy: 0.5281668685082166
Energy: 0.47261442009173055
Energy: 0.5073933002745599
Energy: 0.5281668685099543

minimum gb energy = 0.4720762858093388 eV
minimum distance =  2.57556362226025 Angstroms
sigma value = 165


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

Energy: 0.47743228718766184
Energy: 0.4708187441892243
Energy: 0.4704728231875257
Energy: 0.4774322871865861
Energy: 0.4708187441886864
Energy: 0.47047282318806366
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Energy: 0.4708187441908379
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Energy: 0.47743228718766184
Energy: 0.5373044703929125
Energy: 0.4871807364077008
Energy: 0.5497325523656111
Energy: 0.5373044703912989
Energy: 0.4871807364077008
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Energy: 0.5373044703923746
Energy: 0.4871807364071631
Energy: 0.5497325523629218
Energy: 0.5373044703929125
Energy: 0.45029713802875576
Energy: 0.44140648881044997
Energy: 0.4790541134779222
Energy: 0.4502971380282179
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Energy: 0.5245527642581133
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Energy: 0.4585935037381903
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Energy: 0.48299769646350965
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Energy: 0.45545170605660706
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Energy: 0.5066715280942672
Energy: 0.5035226156425477
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Energy: 0.5066715280937293
Energy: 0.503522615641472
Energy: 0.5371018145920855
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Energy: 0.503522615641472
Energy: 0.5371018145953126
Energy: 0.5066715280931915
Energy: 0.46460156639588224
Energy: 0.45732114499791654
Energy: 0.43658579152684435
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Energy: 0.45732114500006804
Energy: 0.4365857915289958
Energy: 0.4646015663964201
Energy: 0.45732114499684084
Energy: 0.43658579152738214
Energy: 0.46460156639588224
Energy: 0.5042847465548079
Energy: 0.4586356311761028
Energy: 0.5129619522163648
Energy: 0.5042847465537321
Energy: 0.4586356311766407
Energy: 0.5129619522152891
Energy: 0.5042847465526564
Energy: 0.45863563117502704
Energy: 0.5129619522169027
Energy: 0.5042847465531943
Energy: 0.47054292445286905
Energy: 0.4590213844105686
Energy: 0.4677389277982952
Energy: 0.47054292445286905
Energy: 0.45902138440895507
Energy: 0.46773892782193693
Energy: 0.47054292445286905
Energy: 0.4590213844116443
Energy: 0.4677389278122797
Energy: 0.4705429244544826
Energy: 0.5164595998171068
Energy: 0.5124257440504855
Energy: 0.45633628222908557
Energy: 0.5164595998160311
Energy: 0.5124257440499477
Energy: 0.45633628222800987
Energy: 0.5164595998176447
Energy: 0.5124257440504855
Energy: 0.45633628222962347
Energy: 0.5164595998197962
Energy: 0.4542418293005051
Energy: 0.47081874418814856
Energy: 0.47047282318913936
Energy: 0.45424182930263207
Energy: 0.4708187441876107
Energy: 0.47047282318806366
Energy: 0.4542418293005051
Energy: 0.4708187441892243
Energy: 0.4704728231875257
Energy: 0.4542418293031699

minimum gb energy = 0.43658579152684435 eV
minimum distance =  2.6328020648099 Angstroms
sigma value = 41


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

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Energy: 0.42618643293407643
Energy: 0.42765579015224037
Energy: 0.47916042109185747
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Energy: 0.4382465688797177
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Energy: 0.4563737903892764
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Energy: 0.4257580843866987
Energy: 0.4014583424998705
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Energy: 0.3945621530399644
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Energy: 0.394562153039547
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Energy: 0.3997274555514812
Energy: 0.4202323182865727
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Energy: 0.39972745555170885
Energy: 0.4204183532262088
Energy: 0.42054102860957226
Energy: 0.39972745555421313
Energy: 0.4202323182861933
Energy: 0.42053496371680243
Energy: 0.3997274555462829
Energy: 0.41230053826513624
Energy: 0.4174715351059221
Energy: 0.3961424200812841
Energy: 0.4123005382603554
Energy: 0.4174175221187737
Energy: 0.3961424200852682
Energy: 0.4123005382613798
Energy: 0.4174715351021657
Energy: 0.396142420084016
Energy: 0.4123005382607728
Energy: 0.42486406826587353
Energy: 0.41741759722529326
Energy: 0.39767925025330747
Energy: 0.4248640682627622
Energy: 0.4174299794971756
Energy: 0.39767925025330747
Energy: 0.42486406826253453
Energy: 0.41741759722760785
Energy: 0.39767925024936135
Energy: 0.42486406826921247
Energy: 0.44018826099940356
Energy: 0.41759970222253884
Energy: 0.40523220518786046
Energy: 0.44018826100213543
Energy: 0.4175997022200346
Energy: 0.405232205187443
Energy: 0.440188261000466
Energy: 0.41759970222439813
Energy: 0.40523220518326925
Energy: 0.44018826099940356

minimum gb energy = 0.3889193506953022 eV
minimum distance =  2.58290710937374 Angstroms
sigma value = 185


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

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Energy: 0.24188240216495716
Energy: 0.24194082535148026
Energy: 0.14332914663291318
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Energy: 0.3077234495093851
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Energy: 0.22042194299629533
Energy: 0.24179514417492204
Energy: 0.22143298428530797
Energy: 0.22042194299431356
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Energy: 0.22143298428431707
Energy: 0.18595212702425748
Energy: 0.18968726982511677
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Energy: 0.16519356658309334
Energy: 0.17606526241737216
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Energy: 0.18595212702376204
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Energy: 0.24938294360825877
Energy: 0.16519356658532286
Energy: 0.22626800073847747
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Energy: 0.25021349757024053
Energy: 0.22626800073674339
Energy: 0.26688095235294407
Energy: 0.2502134975694974
Energy: 0.21206571974170002

minimum gb energy = 0.14332914663291318 eV
minimum distance =  2.66258414108701 Angstroms
sigma value = 33


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

Energy: 0.363898072481034
Energy: 0.40611670528581056
Energy: 0.4060825509057347
Energy: 0.363898072479674
Energy: 0.40611670528445065
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Energy: 0.4057617822513447
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Energy: 0.3646101053496544
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Energy: 0.4303401931614715
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minimum gb energy = 0.3332413088011417 eV
minimum distance =  2.59625897634799 Angstroms
sigma value = 219


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

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Energy: 0.4993216877932512
Energy: 0.5168293664269694
Energy: 0.4953357215810049
Energy: 0.4993216877932512
Energy: 0.5168293664269694

minimum gb energy = 0.4194325841705291 eV
minimum distance =  2.62587153707011 Angstroms
sigma value = 15


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

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minimum gb energy = 0.4826897091509036 eV
minimum distance =  2.56227434272616 Angstroms
sigma value = 293


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

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Energy: 0.5618025200535303
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Energy: 0.5493930866429759
Energy: 0.5233953165386231
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Energy: 0.549393086641553
Energy: 0.5715580429467009
Energy: 0.5550119039921061
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Energy: 0.5715580429469043
Energy: 0.5550119039908864
Energy: 0.495017841880351
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Energy: 0.49480415659781374
Energy: 0.5715580429489372
Energy: 0.510932488818651
Energy: 0.5548614981423557
Energy: 0.4874641455235384
Energy: 0.5109324888180595
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Energy: 0.5109324888180595
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Energy: 0.48561240799684824
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Energy: 0.48561240799440875
Energy: 0.49432982579970897
Energy: 0.4866859940873398
Energy: 0.48561240799542515
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Energy: 0.4866859940851035
Energy: 0.5261155038036638
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Energy: 0.5344149858452915
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Energy: 0.5663489309560175
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Energy: 0.5725906495098421
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Energy: 0.5725906495084191
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Energy: 0.5094570997117226
Energy: 0.5456770911233239
Energy: 0.4906386674650738
Energy: 0.5317039429583162
Energy: 0.5456770911231206
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Energy: 0.5456770911255602
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Energy: 0.48951528789727605
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Energy: 0.4896208329762466
Energy: 0.4895152878950399
Energy: 0.4887988066787916
Energy: 0.4896208329742136
Energy: 0.48951528789666626
Energy: 0.48891015379109365
Energy: 0.48962083297604325
Energy: 0.48951528789727605
Energy: 0.5056280662343158
Energy: 0.48761179192896936
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Energy: 0.4876117919285628
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Energy: 0.5634025552485951
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Energy: 0.5418203493406822
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Energy: 0.541820349341902
Energy: 0.5634025552512378
Energy: 0.5033630225117262
Energy: 0.5418203493414955
Energy: 0.5634025552498146
Energy: 0.5617442152986811
Energy: 0.49983387528684603
Energy: 0.5227849334499811
Energy: 0.5617442152972582
Energy: 0.49983387535227
Energy: 0.5227435571630308
Energy: 0.5617442152956318
Energy: 0.4998338752539307
Energy: 0.5227849334477449
Energy: 0.5617442152960385
Energy: 0.48983807573439836
Energy: 0.565546785980924
Energy: 0.5234325922083676
Energy: 0.48983807573500826
Energy: 0.5655467859835668
Energy: 0.5234325922077577
Energy: 0.48983807573582144
Energy: 0.5655467859827537
Energy: 0.523432592207961
Energy: 0.4898380757356182
Energy: 0.5465079419423505
Energy: 0.515730837920323
Energy: 0.5093508874475355
Energy: 0.546507941941944
Energy: 0.4990127050245676
Energy: 0.4989823082072354
Energy: 0.5465079419437551
Energy: 0.5157308379195099
Energy: 0.5093508874501782
Energy: 0.5465079419409276
Energy: 0.490278015743773
Energy: 0.5607260168591981
Energy: 0.5618025200533269
Energy: 0.4902780157433663
Energy: 0.5607260168640771
Energy: 0.5618025200509058
Energy: 0.49027801574438284
Energy: 0.5607260168622475
Energy: 0.561802520050296
Energy: 0.49027801574295976
Energy: 0.5493930866423662
Energy: 0.5233953165384198
Energy: 0.5514793591042666
Energy: 0.5493930866427728
Energy: 0.5233953165376065
Energy: 0.5514793591030469
Energy: 0.5493930866401299
Energy: 0.5233953165369967
Energy: 0.5514793591046733
Energy: 0.5493930866419596
Energy: 0.5715580429469043
Energy: 0.5550119039925128
Energy: 0.4946924360104862
Energy: 0.5715580429469043
Energy: 0.5550119039904798
Energy: 0.49481186109119635
Energy: 0.5715580429471074
Energy: 0.55501190398926
Energy: 0.4946924360088598
Energy: 0.5715580429491404
Energy: 0.5109324888192609
Energy: 0.5548614981435755
Energy: 0.4874641455231318
Energy: 0.510932488820074
Energy: 0.5548614981407294
Energy: 0.487464145522522
Energy: 0.5109324888204806
Energy: 0.5548614981409328
Energy: 0.4874641455208956
Energy: 0.510932488818651

minimum gb energy = 0.4856124079942054 eV
minimum distance =  2.58357429775176 Angstroms
sigma value = 293


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

Energy: 0.49371235280718256
Energy: 0.49433250190501254
Energy: 0.49430386487463446
Energy: 0.49371235280644765
Energy: 0.49433250190427774
Energy: 0.4943038648735322
Energy: 0.49371235280718256
Energy: 0.49433250190684974
Energy: 0.4943038648750019
Energy: 0.49371235280718256
Energy: 0.49421318900355804
Energy: 0.4939553480536934
Energy: 0.49440754999235903
Energy: 0.49421318900355804
Energy: 0.4939553480544283
Energy: 0.49440754999088926
Energy: 0.4942131890046603
Energy: 0.4939553480536934
Energy: 0.49440754999309394
Energy: 0.49421318900502775
Energy: 0.49375028087792316
Energy: 0.49388536580460607
Energy: 0.5333502494075774
Energy: 0.49375028087792316
Energy: 0.4938853658024182
Energy: 0.5332125077590446
Energy: 0.4937502808790255
Energy: 0.49388536580350384
Energy: 0.5332172163399604
Energy: 0.49375028087829054
Energy: 0.5337505053296513
Energy: 0.4937518488223246
Energy: 0.49375272812512117
Energy: 0.5337460354415858
Energy: 0.4937518488230594
Energy: 0.4937527281254886
Energy: 0.5333552229845401
Energy: 0.49375184882122225
Energy: 0.49375272812475374
Energy: 0.5337711540553775
Energy: 0.49438732925223483
Energy: 0.4939522980019085
Energy: 0.4942365186465468
Energy: 0.4943873292526022
Energy: 0.4939522980019085
Energy: 0.4942365186439748
Energy: 0.49438732925368783
Energy: 0.4939522980019085
Energy: 0.4942365186469142
Energy: 0.49438732925515755
Energy: 0.49433250190354283
Energy: 0.4943038648724299
Energy: 0.49371235280644765
Energy: 0.49433250190574746
Energy: 0.4943038648738996
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Energy: 0.49433250190538003
Energy: 0.49430386487169503
Energy: 0.4937123528068151
Energy: 0.49433250190427774
Energy: 0.4939553480544283
Energy: 0.4944075499912567
Energy: 0.4942131890024557
Energy: 0.4939553480536934
Energy: 0.4944075499927265
Energy: 0.49421318900502775
Energy: 0.4939553480544283
Energy: 0.49440754999199166
Energy: 0.49421318900539524
Energy: 0.4939553480536934
Energy: 0.4938853658005811
Energy: 0.533242403760082
Energy: 0.49375028087792316
Energy: 0.49388536580205084
Energy: 0.5332053131919722
Energy: 0.49375028087792316
Energy: 0.49388536580313636
Energy: 0.5332202609737676
Energy: 0.49375028087718825
Energy: 0.49388536580205084
Energy: 0.49375184882269196
Energy: 0.4937527281254886
Energy: 0.5339137931364905
Energy: 0.4937518488223246
Energy: 0.4937527281240189
Energy: 0.5337587697325443
Energy: 0.49375184882195716
Energy: 0.49375272812328397
Energy: 0.5336503885412988
Energy: 0.49375184882195716
Energy: 0.49395229800227586
Energy: 0.4942365186483839
Energy: 0.4943873292511325
Energy: 0.4939522980019085
Energy: 0.49423651864764906
Energy: 0.49438732925405526
Energy: 0.4939522980019085
Energy: 0.4942365186472816
Energy: 0.4943873292533204
Energy: 0.4939522980019085
Energy: 0.49430386487279726
Energy: 0.49371235280644765
Energy: 0.4943325019028079
Energy: 0.49430386487316474
Energy: 0.49371235280718256
Energy: 0.49433250190464517
Energy: 0.4943038648738996
Energy: 0.49371235280644765
Energy: 0.49433250190427774
Energy: 0.49430386487316474
Energy: 0.4944075499912567
Energy: 0.4942131890028232
Energy: 0.4939553480544283
Energy: 0.49440754999088926
Energy: 0.49421318900613004
Energy: 0.4939553480536934
Energy: 0.49440754999346137
Energy: 0.49421318900429295
Energy: 0.4939553480544283
Energy: 0.4944075499927265
Energy: 0.5334937945691904
Energy: 0.493750280878658
Energy: 0.49388536580423864
Energy: 0.5333476593696096
Energy: 0.49375028087829054
Energy: 0.49388536580387127
Energy: 0.5332193027573738
Energy: 0.49375028087718825
Energy: 0.4938853658009485
Energy: 0.5332056888539888
Energy: 0.49375272812438625
Energy: 0.533876796632257
Energy: 0.49375184882195716
Energy: 0.4937527281265909
Energy: 0.5333557342689443
Energy: 0.49375184882122225
Energy: 0.49375272812585597
Energy: 0.5337661199184509
Energy: 0.4937518488223246
Energy: 0.49375272812328397
Energy: 0.49423651864764906
Energy: 0.49438732925442275
Energy: 0.49395229800227586
Energy: 0.4942365186454445
Energy: 0.4943873292526022
Energy: 0.4939522980019085
Energy: 0.4942365186480165
Energy: 0.494387329255525
Energy: 0.49395229800227586
Energy: 0.4942365186465468
Energy: 0.4937123528068151
Energy: 0.49433250190501254
Energy: 0.4943038648738996
Energy: 0.4937123528060803
Energy: 0.49433250190501254
Energy: 0.49430386487206246
Energy: 0.49371235280644765
Energy: 0.49433250190501254
Energy: 0.4943038648735322
Energy: 0.49371235280644765
Energy: 0.4942131890028232
Energy: 0.4939553480536934
Energy: 0.4944075499916242
Energy: 0.49421318900429295
Energy: 0.4939553480544283
Energy: 0.49440754999382885
Energy: 0.49421318900355804
Energy: 0.4939553480536934
Energy: 0.4944075499912567
Energy: 0.4942131890046603
Energy: 0.49375028087939293
Energy: 0.4938853658009485
Energy: 0.5332525943214841
Energy: 0.493750280878658
Energy: 0.4938853658024182
Energy: 0.5331664903357619
Energy: 0.493750280878658
Energy: 0.4938853658024182
Energy: 0.5332009063686832
Energy: 0.49375028087755574
Energy: 0.5333097035409189
Energy: 0.4937518488223246
Energy: 0.49375272812438625
Energy: 0.5335931343649384
Energy: 0.49375184882195716
Energy: 0.49375272812512117
Energy: 0.5334378920570552
Energy: 0.4937518488223246
Energy: 0.49375272812512117
Energy: 0.5339710592245354
Energy: 0.49438732925442275
Energy: 0.4939522980019085
Energy: 0.49423651864434215
Energy: 0.4943873292526022
Energy: 0.49395229800227586
Energy: 0.4942365186465468
Energy: 0.494387329255525
Energy: 0.4939522980019085
Energy: 0.49423651864764906
Energy: 0.4943873292533204
Energy: 0.49433250190501254
Energy: 0.49430386487206246
Energy: 0.49371235280718256
Energy: 0.49433250190501254
Energy: 0.49430386487316474
Energy: 0.49371235280718256
Energy: 0.49433250190391026
Energy: 0.49430386487279726
Energy: 0.49371235280718256
Energy: 0.49433250190354283
Energy: 0.4939553480544283
Energy: 0.49440754999456366
Energy: 0.4942131890028232
Energy: 0.4939553480536934
Energy: 0.49440754999346137
Energy: 0.4942131890039255
Energy: 0.4939553480544283
Energy: 0.49440754999346137
Energy: 0.49421318900355804
Energy: 0.4939553480536934

minimum gb energy = 0.4937123528060803 eV
minimum distance =  2.61033200976008 Angstroms
sigma value = 15


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

Energy: 0.5306269858073592
Energy: 0.5602569482348272
Energy: 0.5579678399942082
Energy: 0.5177172947859081
Energy: 0.5602569482331616
Energy: 0.5579678399958736
Energy: 0.5306269858006969
Energy: 0.5602569482331616
Energy: 0.5579678399925426
Energy: 0.5177172947859081
Energy: 0.5591675751015447
Energy: 0.523927460537786
Energy: 0.5387378797625523
Energy: 0.5591675751065412
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Energy: 0.5591675751015447
Energy: 0.5316395236565018
Energy: 0.5236401406574567
Energy: 0.58559419975151
Energy: 0.5316395236515051
Energy: 0.5236401406574567
Energy: 0.5855941997531754
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Energy: 0.5236401406557912
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Energy: 0.5316395236481739
Energy: 0.5117919443377975
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Energy: 0.5060318628627458
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Energy: 0.5060318628644114
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Energy: 0.5760697608837875
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Energy: 0.5838519351256445
Energy: 0.504813303783842
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Energy: 0.5299369601069603
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Energy: 0.5710752900490788
Energy: 0.5451339916559969
Energy: 0.521687513264469
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Energy: 0.5451339916609935
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Energy: 0.6048633161754124
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Energy: 0.5433268763911415
Energy: 0.5437166128478254
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Energy: 0.5437166128461598
Energy: 0.506098545922551
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Energy: 0.5437166128461598
Energy: 0.5061249245166102
Energy: 0.5724917032872711
Energy: 0.5437166128478254
Energy: 0.5736996410512541
Energy: 0.5058216040318201
Energy: 0.5588940771796298
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Energy: 0.5736996410562508
Energy: 0.5042533998114801
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Energy: 0.6081407499630125
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Energy: 0.6008433687107767
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Energy: 0.6008433687091111
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Energy: 0.5834067945738469
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Energy: 0.5587317866906726
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Energy: 0.5651462112686347
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Energy: 0.5355044941493142
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Energy: 0.5658027206035122
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Energy: 0.5603470399487593
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Energy: 0.5685912413257989
Energy: 0.5299966145150007
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Energy: 0.5299966145150007
Energy: 0.5283355476827545
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Energy: 0.507086065369564
Energy: 0.528335547681089
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Energy: 0.507086065369564
Energy: 0.5283355476860857
Energy: 0.528782804558884
Energy: 0.5242549978161175
Energy: 0.5396540892285826
Energy: 0.5285295313159745
Energy: 0.524257341618102
Energy: 0.5396540892302483
Energy: 0.5287828045622152
Energy: 0.5242549978161175
Energy: 0.5396540892285826
Energy: 0.5285295313159745
Energy: 0.510533100053785
Energy: 0.5322616265501127
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Energy: 0.510533100053785
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Energy: 0.5497162971285497
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Energy: 0.5208402541380344
Energy: 0.5632786086490924
Energy: 0.5362181458190239
Energy: 0.5208493176278077
Energy: 0.5632786086457613
Energy: 0.5406995141370491
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Energy: 0.5362181458223552
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Energy: 0.5070971874696524
Energy: 0.5446507995408497
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Energy: 0.5070971874679867
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Energy: 0.5434848388182092
Energy: 0.5743749561322293
Energy: 0.5750461787335774
Energy: 0.5718903627857007
Energy: 0.5743749561305638
Energy: 0.5750461787302463
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Energy: 0.5750461787352431
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Energy: 0.5762021681338308
Energy: 0.5031216637589726
Energy: 0.5446761305270599
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Energy: 0.5032060924779905
Energy: 0.5446761305203975
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Energy: 0.5446761305220632
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Energy: 0.548558393410246
Energy: 0.5168943339230766
Energy: 0.5576613285246637
Energy: 0.548558393406915
Energy: 0.5168943339264077
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Energy: 0.5168943339230766
Energy: 0.5576613285180013
Energy: 0.5485583934135773
Energy: 0.5984999418437531
Energy: 0.5736519047235008
Energy: 0.5109368789639764
Energy: 0.5984999418387563
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Energy: 0.5736519047268319
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Energy: 0.5984999418454187
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Energy: 0.5545013573101758
Energy: 0.5576442208252911
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Energy: 0.5089299404537673
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Energy: 0.5545808442455553
Energy: 0.5267384609748594
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Energy: 0.5310800733267934
Energy: 0.584672017681165
Energy: 0.5547465076334281
Energy: 0.517606255961316
Energy: 0.5846720176794994
Energy: 0.5529300367995681
Energy: 0.5310800733267934
Energy: 0.5846720176778338
Energy: 0.5547465076317625
Energy: 0.5176062559529883
Energy: 0.5100583688182342
Energy: 0.6153844047331757
Energy: 0.5590475554493961
Energy: 0.5100583688165686
Energy: 0.6153844047331757
Energy: 0.5590475554493961
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Energy: 0.6153844047331757
Energy: 0.5590475554527272
Energy: 0.5100583688215652
Energy: 0.5935002568185411
Energy: 0.511349864946279
Energy: 0.5792288648486104
Energy: 0.5935002568185411
Energy: 0.5113498649529411
Energy: 0.5792288648486104
Energy: 0.5935002568185411
Energy: 0.5113498649496099
Energy: 0.5792288648486104
Energy: 0.5935002568185411
Energy: 0.5469502237205991
Energy: 0.5569769174765147
Energy: 0.5131567685007795
Energy: 0.5469502237239301
Energy: 0.5569769174748491
Energy: 0.5132183938439415
Energy: 0.5469502237205991
Energy: 0.5569769174731836
Energy: 0.5131567685007795
Energy: 0.5469502237172679
Energy: 0.6112033555443641
Energy: 0.5390086880331558
Energy: 0.5065691559876752
Energy: 0.6112033555393674
Energy: 0.5390086880347912
Energy: 0.5065691559843442
Energy: 0.6112033555393674
Energy: 0.5390086880331558
Energy: 0.5065691559860096
Energy: 0.6112033555426986
Energy: 0.5605466673142877
Energy: 0.5592392453825024
Energy: 0.5624964237515845
Energy: 0.5605466673142877
Energy: 0.5592392453874991
Energy: 0.5624964237482533
Energy: 0.5605466673159532
Energy: 0.5592392453825024
Energy: 0.5624964237465876
Energy: 0.5605466673159532
Energy: 0.5634392900010088
Energy: 0.5444370055226085
Energy: 0.5117497316702214
Energy: 0.5634392900043399
Energy: 0.5444370055309364
Energy: 0.5117497316652247
Energy: 0.5634392900010088
Energy: 0.544437005532602
Energy: 0.5117497316652247
Energy: 0.5634392900010088
Energy: 0.517719766452203
Energy: 0.5672876323791034
Energy: 0.5432664697049521
Energy: 0.5177197664538684
Energy: 0.5672876323807688
Energy: 0.5432664697066176
Energy: 0.5177197664571996
Energy: 0.5672876323824345
Energy: 0.5432664697049521
Energy: 0.5177197664538684
Energy: 0.5570118101927939
Energy: 0.5261061359250525
Energy: 0.5178394584601744
Energy: 0.5570118101927939
Energy: 0.5331456846976919
Energy: 0.5247801112993088
Energy: 0.5570118101944594
Energy: 0.5261061359300494
Energy: 0.5178394584618401
Energy: 0.5570118101927939
Energy: 0.6579818791518071
Energy: 0.5072034152829735
Energy: 0.5480876228433348
Energy: 0.6579818791518071
Energy: 0.5072034152846391
Energy: 0.5480876228499971
Energy: 0.6579818791501414
Energy: 0.5072034152813081
Energy: 0.5480876228450005
Energy: 0.6579818791518071
Energy: 0.5243910761138919
Energy: 0.5984922574182564
Energy: 0.524266354773339
Energy: 0.5243910761155575
Energy: 0.5984922574215873
Energy: 0.5242663547666768
Energy: 0.5243910761155575
Energy: 0.5984922574215873
Energy: 0.5242663547683424
Energy: 0.5243910761138919
Energy: 0.5506499782786867
Energy: 0.505694479437015
Energy: 0.6359707538843893
Energy: 0.550649978285349
Energy: 0.5056750530045664
Energy: 0.6359707538893858
Energy: 0.5506499782836835
Energy: 0.505694479437015
Energy: 0.6359707538910514
Energy: 0.5506499782770211
Energy: 0.5685759659082723
Energy: 0.5215284233573491
Energy: 0.558234621829027
Energy: 0.5685759659132691
Energy: 0.5215284233573491
Energy: 0.558234621829027
Energy: 0.568575965909938
Energy: 0.521528423365677
Energy: 0.5582346218256958
Energy: 0.5685759659132691
Energy: 0.5580632310168513
Energy: 0.536303765128138
Energy: 0.5203659171342966
Energy: 0.558063231021848
Energy: 0.5363037651264725
Energy: 0.5203626147371101
Energy: 0.558063231018517
Energy: 0.5363037651298037
Energy: 0.5203659171342966
Energy: 0.5580632310135202
Energy: 0.5109198849092044
Energy: 0.5264423541664045
Energy: 0.5521277438198656
Energy: 0.5109198849075388
Energy: 0.5264423541664045
Energy: 0.5521277438198656
Energy: 0.5109198849042077
Energy: 0.5264423541714012
Energy: 0.5521277438165345
Energy: 0.5109198849075388
Energy: 0.517748809900849
Energy: 0.5550865558864306
Energy: 0.5833240642644066
Energy: 0.517748809900849
Energy: 0.5550865558880962
Energy: 0.5833240642710689
Energy: 0.5177488099041803
Energy: 0.5550865558897619
Energy: 0.5833240642677378
Energy: 0.517748809900849

minimum gb energy = 0.5031216637556415 eV
minimum distance =  2.57541110484844 Angstroms
sigma value = 437


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

Energy: 0.5146781801474007
Energy: 0.5402655258760215
Energy: 0.5400771767517127
Energy: 0.514678180146794
Energy: 0.5402655258778418
Energy: 0.5400771767498924
Energy: 0.514678180146794
Energy: 0.5402655258760215
Energy: 0.5400771767529264
Energy: 0.5146781801461873
Energy: 0.5940711696392218
Energy: 0.5069439693582352
Energy: 0.5594285174978741
Energy: 0.5940711696380082
Energy: 0.5069439693558079
Energy: 0.5594285174972674
Energy: 0.5940711696392218
Energy: 0.5069439693576283
Energy: 0.5594285174978741
Energy: 0.5940711696380082
Energy: 0.5708125982265867
Energy: 0.4976928063554131
Energy: 0.6139924856131618
Energy: 0.5708125982271937
Energy: 0.49769280635601987
Energy: 0.6139924856149821
Energy: 0.5708125982265867
Energy: 0.4976928063554131
Energy: 0.6139924856131618
Energy: 0.5708125982265867
Energy: 0.5472289639333092
Energy: 0.5769443046835273
Energy: 0.5498130031176033
Energy: 0.5472289639345229
Energy: 0.5769443046835273
Energy: 0.5498130031182101
Energy: 0.5472289639333092
Energy: 0.5769443046835273
Energy: 0.5498130031176033
Energy: 0.5472289639345229
Energy: 0.5627913493353225
Energy: 0.5146980005693474
Energy: 0.6187974565965345
Energy: 0.5627913493347156
Energy: 0.5146980005711678
Energy: 0.6187974565965345
Energy: 0.5627913493347156
Energy: 0.5146980005693474
Energy: 0.6187974565965345
Energy: 0.5627913493353225
Energy: 0.555178619209375
Energy: 0.5530737583164421
Energy: 0.505711436151388
Energy: 0.5551786192111953
Energy: 0.5530737583158353
Energy: 0.505711436148961
Energy: 0.555178619209375
Energy: 0.5530737583164421
Energy: 0.5057114361507813
Energy: 0.5551786192063409
Energy: 0.5682467264871328
Energy: 0.5210855496349207
Energy: 0.497874613157795
Energy: 0.5682467264883464
Energy: 0.5210855496324935
Energy: 0.4978746131565815
Energy: 0.5682467264871328
Energy: 0.5210855496349207
Energy: 0.49787461315718823
Energy: 0.5682467264883464
Energy: 0.5384574470777682
Energy: 0.5503910174873907
Energy: 0.5434707429274273
Energy: 0.5384574470801953
Energy: 0.5503910174892112
Energy: 0.5434707429268205
Energy: 0.538457447078375
Energy: 0.5503910174886044
Energy: 0.5434707429280342
Energy: 0.5384574470801953
Energy: 0.6695412843059014
Energy: 0.5606759540794467
Energy: 0.5150724749406789
Energy: 0.6695412843150034
Energy: 0.56067595407884
Energy: 0.5150724749382516
Energy: 0.6695412843046878
Energy: 0.56067595407884
Energy: 0.5150724749406789
Energy: 0.6695412843022607
Energy: 0.5450192448719466
Energy: 0.5617655989455024
Energy: 0.5637172254220336
Energy: 0.5450192448713397
Energy: 0.5617655989473228
Energy: 0.56371722542082
Energy: 0.5450192448719466
Energy: 0.5617655989448956
Energy: 0.5637172254214268
Energy: 0.5450192448713397
Energy: 0.5425955054214774
Energy: 0.5262423955160159
Energy: 0.622721973017728
Energy: 0.5425955054220843
Energy: 0.5042478343186092
Energy: 0.6227219730171211
Energy: 0.5425955054214774
Energy: 0.5042478343198228
Energy: 0.622721973017728
Energy: 0.5425955054220843
Energy: 0.587037236040042
Energy: 0.507388747551779
Energy: 0.5490263603904171
Energy: 0.5870372360424692
Energy: 0.5073887475529926
Energy: 0.5490263603892034
Energy: 0.587037236040042
Energy: 0.5073887475523858
Energy: 0.5490263603885966
Energy: 0.5870372360424692
Energy: 0.5150129071521162
Energy: 0.5869958984333792
Energy: 0.5177894942496494
Energy: 0.515012907152723
Energy: 0.5869958982750604
Energy: 0.5177894942496494
Energy: 0.515012907152723
Energy: 0.586995898327245
Energy: 0.5177894942496494
Energy: 0.515012907152723
Energy: 0.6220397710283138
Energy: 0.5218972799759647
Energy: 0.543874681986716
Energy: 0.622039771027707
Energy: 0.5218972799759647
Energy: 0.5438746819800414
Energy: 0.6220397710283138
Energy: 0.5218972799759647
Energy: 0.5438746819830753
Energy: 0.622039771027707

minimum gb energy = 0.4976928063554131 eV
minimum distance =  2.5789564421137 Angstroms
sigma value = 33