Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
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=4.049999862909317
cohesive_energy=3.3503944978124447
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: -0.00986900153303542 eV

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

Energy: 0.011673028035938567
Energy: 0.17540495777923013
Energy: 0.17540495777923013
Energy: 0.011673028035938567
Energy: 0.1754049577780785
Energy: 0.17540495777923013
Energy: 0.011673028035938567
Energy: 0.17540495777923013
Energy: 0.17540495777923013
Energy: 0.01167302803363523
Energy: 0.17602790389731604
Energy: 0.011993944968410305
Energy: 0.5388604037712026
Energy: 0.17602790389731604
Energy: 0.011993944967258637
Energy: 0.5388604037712026
Energy: 0.17602790389731604
Energy: 0.011993944968410305
Energy: 0.5388604037712026
Energy: 0.17602790389731604
Energy: 0.6917499463027791
Energy: 0.3314712170715472
Energy: 0.2694592739886677
Energy: 0.7220578181749313
Energy: 0.3678879657348351
Energy: 0.3678879657348351
Energy: 0.5908431692065297
Energy: 0.26943138092396507
Energy: 0.3314712170703955
Energy: 0.590843169198468
Energy: 0.1760279038961644
Energy: 0.538860403773506
Energy: 0.011993944967258637
Energy: 0.17602790389731604
Energy: 0.538860403773506
Energy: 0.011993944968410305
Energy: 0.17602790389731604
Energy: 0.538860403773506
Energy: 0.011993944967258637
Energy: 0.17602790389731604
Energy: 0.011673028035938567
Energy: 0.17540495777923013
Energy: 0.17540495777923013
Energy: 0.011673028035938567
Energy: 0.17540495777923013
Energy: 0.17540495777923013
Energy: 0.011673028035938567
Energy: 0.17540495777923013
Energy: 0.17540495777923013
Energy: 0.011673028035938567
Energy: 0.1760279038961644
Energy: 0.011993944968410305
Energy: 0.5388604037746576
Energy: 0.17602790389731604
Energy: 0.011993944967258637
Energy: 0.5388604037746576
Energy: 0.1760279038961644
Energy: 0.011993944968410305
Energy: 0.538860403773506
Energy: 0.17602790389731604
Energy: 0.5908431692065297
Energy: 0.10684627658691107
Energy: 0.012195219346915845
Energy: 0.5908431692007714
Energy: 0.10684627658691107
Energy: 0.012195219348067514
Energy: 0.590843169201923
Energy: 0.10684627658691107
Energy: 0.012195219346915845
Energy: 0.5908431692007714

minimum gb energy = 0.01167302803363523 eV
minimum distance =  2.61805873544626 Angstroms
sigma value = 3


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

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Energy: 0.5972096851537797
Energy: 0.5827293573833576
Energy: 0.44932495592668026
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Energy: 0.5355605117705303
Energy: 0.4659095904904873
Energy: 0.5803416787685788
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Energy: 0.5827293573827934
Energy: 0.47156639583790294
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Energy: 0.5827293573858965
Energy: 0.4488409987855919
Energy: 0.5972096851512408
Energy: 0.5827293573864607
Energy: 0.47156639584015975
Energy: 0.535560524152322
Energy: 0.46590959048879466
Energy: 0.5803416787649116
Energy: 0.5355605165409743
Energy: 0.4659095904885125
Energy: 0.5803416787601159
Energy: 0.5355605176733761
Energy: 0.4659095904947188
Energy: 0.5803416787643474
Energy: 0.535560514552475
Energy: 0.5206867660947055
Energy: 0.6018733538498955
Energy: 0.5889814952751412
Energy: 0.5154554987870316
Energy: 0.601873353856666
Energy: 0.5889814952765517
Energy: 0.5206867660910383
Energy: 0.6018733538513059
Energy: 0.5889814952748591
Energy: 0.5154554987875958
Energy: 0.5826249976043821
Energy: 0.6150892476531783
Energy: 0.42539908158836515
Energy: 0.5826249976052286
Energy: 0.6150892476506394
Energy: 0.42539908158554407
Energy: 0.5826249976024075
Energy: 0.6150892476565636
Energy: 0.42539908158413353
Energy: 0.5826249975995865

minimum gb energy = 0.4090785297729969 eV
minimum distance =  2.50483360502065 Angstroms
sigma value = 75


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

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Energy: 0.45588035798701254
Energy: 0.45559185727618556
Energy: 0.5060183627851521
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minimum gb energy = 0.45103803500179956 eV
minimum distance =  2.48704794863981 Angstroms
sigma value = 105


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

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Energy: 0.5342030943097148
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Energy: 0.5091105283112941
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Energy: 0.5091105283084988
Energy: 0.5076810525730091
Energy: 0.5308937096946768
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Energy: 0.5308937096935756
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Energy: 0.5308937096923332
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Energy: 0.5076810525706938
Energy: 0.4983560313503919
Energy: 0.5231898232081951
Energy: 0.5081207922261471
Energy: 0.498356031347145
Energy: 0.5231713150482653
Energy: 0.5081207922277
Energy: 0.49835603135025086
Energy: 0.5231898232122045
Energy: 0.5081207922259777
Energy: 0.498356031352566
Energy: 0.5383363858895076
Energy: 0.5253504128484291
Energy: 0.5712508961471585
Energy: 0.5383363858908912
Energy: 0.5252544226119963
Energy: 0.5712508961499537
Energy: 0.5383363858923029
Energy: 0.5253504128509138
Energy: 0.5712508961463961
Energy: 0.5383363858890277
Energy: 0.5203509757812725
Energy: 0.5184815802746814
Energy: 0.4860896871572131
Energy: 0.5203509757812725
Energy: 0.5184815802756131
Energy: 0.48608968715086026
Energy: 0.5203509757807926
Energy: 0.5184815802742295
Energy: 0.48608968714992856
Energy: 0.5203509757823455
Energy: 0.5094511539291611
Energy: 0.5498404249856554
Energy: 0.513101914052773
Energy: 0.5094511539285399
Energy: 0.5431807706173458
Energy: 0.5131019140546363
Energy: 0.509451153930714
Energy: 0.5498404249895237
Energy: 0.5131019140504577
Energy: 0.5094511539288505
Energy: 0.5275024190949605
Energy: 0.539500507010244
Energy: 0.5719932131789204
Energy: 0.5322399927148748
Energy: 0.5394168593301866
Energy: 0.571993213173471
Energy: 0.5341226169494727
Energy: 0.539500507010244
Energy: 0.5719932131736405
Energy: 0.5364857809290878
Energy: 0.5369573223553561
Energy: 0.4838125683535445
Energy: 0.5246575689860756
Energy: 0.5369573223545938
Energy: 0.4838046866706957
Energy: 0.5246575689873179
Energy: 0.5369573223527303
Energy: 0.48381256835509745
Energy: 0.524657568989492
Energy: 0.5369573223524197

minimum gb energy = 0.47988380771413736 eV
minimum distance =  2.45744668010332 Angstroms
sigma value = 165


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

Energy: 0.4429291816401835
Energy: 0.5109503477448669
Energy: 0.5109150348124167
Energy: 0.4429291816428491
Energy: 0.5109503477459332
Energy: 0.5109150348129498
Energy: 0.4429291816401835
Energy: 0.5109503477459332
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Energy: 0.4429291816428491
Energy: 0.44928474513643424
Energy: 0.44360030521994215
Energy: 0.46494108721844435
Energy: 0.44928474513003686
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Energy: 0.4492847451359011
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Energy: 0.4649410872168692
Energy: 0.44928474513163613
Energy: 0.485669190229076
Energy: 0.4808940215652766
Energy: 0.42950433742900956
Energy: 0.4856691902296091
Energy: 0.48089402156314415
Energy: 0.42950433743167515
Energy: 0.48566919022800975
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Energy: 0.5062283047865425
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Energy: 0.507059999406979
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Energy: 0.5115411475928549
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Energy: 0.45462049008104
Energy: 0.5071612385958891
Energy: 0.5155036962734116
Energy: 0.4546204900783743
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Energy: 0.507161238594823
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Energy: 0.4546204900783743
Energy: 0.48113835787880027
Energy: 0.4830691644404977
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Energy: 0.4811383578761347
Energy: 0.4830691644404977
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Energy: 0.4811383578772009
Energy: 0.4830691644410309
Energy: 0.5144471339069506
Energy: 0.4811383578750684
Energy: 0.5062841922750707
Energy: 0.4492129284432502
Energy: 0.4498973605162023
Energy: 0.5062841922772032
Energy: 0.4492129284421839
Energy: 0.4498973605167354
Energy: 0.5062841922750707
Energy: 0.4492129284432502
Energy: 0.4498973605124705
Energy: 0.5062841922772032
Energy: 0.4858105701513204
Energy: 0.4295156467007229
Energy: 0.48070118036267834
Energy: 0.48581057014705537
Energy: 0.4295156466985905
Energy: 0.48070118036641024
Energy: 0.4858105701529197
Energy: 0.42951564670285536
Energy: 0.4807011803674765
Energy: 0.48581057014812157
Energy: 0.44928907025304887
Energy: 0.4648108413672766
Energy: 0.44371028695442444
Energy: 0.44928907025038317
Energy: 0.46481084136514417
Energy: 0.44371028695655695
Energy: 0.44928907025144943
Energy: 0.4648108413646109
Energy: 0.4437102869576232
Energy: 0.4492890702525157
Energy: 0.44292918163911726
Energy: 0.5109503477438007
Energy: 0.5109150348113506
Energy: 0.4429291816412497
Energy: 0.5109503477448669
Energy: 0.5109150348129498
Energy: 0.44292918163911726
Energy: 0.5109503477438007
Energy: 0.5109150348124167
Energy: 0.4429291816412497

minimum gb energy = 0.4295043374284764 eV
minimum distance =  2.62915088499954 Angstroms
sigma value = 41


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

Energy: 0.4776093136673933
Energy: 0.47277011902345273
Energy: 0.46172063850978906
Energy: 0.462981063837983
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Energy: 0.5103815831415475
Energy: 0.3989693336314579
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Energy: 0.4801222554608398
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Energy: 0.40603567286662196
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Energy: 0.4060386674008115
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Energy: 0.4058734411745393
Energy: 0.40603567285710707
Energy: 0.40018809127258514
Energy: 0.3988539207852859
Energy: 0.40539188542310134
Energy: 0.4116218447150392
Energy: 0.39885392078321746
Energy: 0.40539040242681734
Energy: 0.4116218447201915
Energy: 0.39885392077783943
Energy: 0.40539188542332694
Energy: 0.4116218447262089
Energy: 0.3988539207817507
Energy: 0.49901538140878215
Energy: 0.40569586815336844
Energy: 0.4355373719788427
Energy: 0.4990153814093839
Energy: 0.4056956257581419
Energy: 0.4355373719763606
Energy: 0.4990153814005084
Energy: 0.40569586816040115
Energy: 0.435537371974104
Energy: 0.4990153814032162
Energy: 0.4690676555006767
Energy: 0.4493568886442659
Energy: 0.39774079648416716
Energy: 0.46906765549800655
Energy: 0.44935688864509327
Energy: 0.3977407964938701
Energy: 0.46906765549717916
Energy: 0.44935688865543566
Energy: 0.39774079648600996
Energy: 0.46906765549902196

minimum gb energy = 0.39057430803613696 eV
minimum distance =  2.51619075692512 Angstroms
sigma value = 185


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

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Energy: 0.23617329940157042
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Energy: 0.2645906043250419
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Energy: 0.28072224168579846
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Energy: 0.2617273909739585
Energy: 0.30635759475878177
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Energy: 0.28072224168972704
Energy: 0.2395687917835086
Energy: 0.24288965737434046
Energy: 0.24563628282090413
Energy: 0.2199319717163902
Energy: 0.22668132605657185
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Energy: 0.2467247443571493
Energy: 0.29459498895745595
Energy: 0.35433567463196586
Energy: 0.2467247443573949
Energy: 0.28101460171812187

minimum gb energy = 0.21846875096904406 eV
minimum distance =  2.63490739717831 Angstroms
sigma value = 33


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

Energy: 0.39356021614627906
Energy: 0.4389920125283818
Energy: 0.43900922672804826
Energy: 0.3662421309540221
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Energy: 0.40629019006148065
Energy: 0.3709348312704597

minimum gb energy = 0.34729545898687997 eV
minimum distance =  2.50639830009464 Angstroms
sigma value = 219


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

Energy: 0.41079346831415836
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Energy: 0.4109357837394622
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Energy: 0.5048151615570291
Energy: 0.4787917233251161
Energy: 0.47960150876527985
Energy: 0.504815161556137
Energy: 0.47879172332422404

minimum gb energy = 0.40621087432875863 eV
minimum distance =  2.63666031790563 Angstroms
sigma value = 15


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

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minimum gb energy = 0.49165783076469916 eV
minimum distance =  2.50354112954587 Angstroms
sigma value = 293


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

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Energy: 0.5342090783887947
Energy: 0.5186959478587543
Energy: 0.5251854613086879
Energy: 0.5342090783847646
Energy: 0.5186959478593588
Energy: 0.525185461309091
Energy: 0.5846579612881143
Energy: 0.5275738692639604
Energy: 0.5375992975506563
Energy: 0.5846579612822707
Energy: 0.5275738692647665
Energy: 0.5375992975500518
Energy: 0.5846579612858978
Energy: 0.5275738692639604
Energy: 0.5375992975506563
Energy: 0.5846579612832783
Energy: 0.5624213653621757
Energy: 0.5224119396008469
Energy: 0.526067187152877
Energy: 0.5624213653619743
Energy: 0.5224119396008469
Energy: 0.5260671871502576
Energy: 0.5624213653617727
Energy: 0.5224119396008469
Energy: 0.5260671871502576
Energy: 0.5624213653603622
Energy: 0.5195314835312359
Energy: 0.6237315683017756
Energy: 0.5184972390134086
Energy: 0.519531483532848
Energy: 0.6237315683017756
Energy: 0.5184972390148191
Energy: 0.519531483529221
Energy: 0.6237315683017756
Energy: 0.5184972390148191
Energy: 0.519531483529624
Energy: 0.5020824324286143
Energy: 0.4995672389513444
Energy: 0.5200429190160624
Energy: 0.5020824324320398
Energy: 0.49956723894592214
Energy: 0.5200429190182788
Energy: 0.5020824324324428
Energy: 0.4995672389523519
Energy: 0.520042919016264
Energy: 0.5020824324294203
Energy: 0.5280684647237027
Energy: 0.537739033669406
Energy: 0.5247485451310991
Energy: 0.5280684647235013
Energy: 0.5377390336696076
Energy: 0.5247485451308977
Energy: 0.5280684647237027
Energy: 0.5377390336740405
Energy: 0.5247485451304947
Energy: 0.5280684647228969
Energy: 0.5370640673884612
Energy: 0.5969565120050011
Energy: 0.5969500601919315
Energy: 0.5370640673880582
Energy: 0.5969565120041952
Energy: 0.5969500601917301
Energy: 0.5370640673884612
Energy: 0.5969565120041952
Energy: 0.5969500601929391
Energy: 0.5370640673878567
Energy: 0.5281658517149944
Energy: 0.5246004058536874
Energy: 0.5377464708259261
Energy: 0.5281658517141886
Energy: 0.5246004058512693
Energy: 0.5377464708289487
Energy: 0.528165851714793
Energy: 0.524600405852277
Energy: 0.5377464708190751
Energy: 0.52816585171439
Energy: 0.5021220797731456
Energy: 0.5200745466245057
Energy: 0.49956664409982765
Energy: 0.5021220797727426
Energy: 0.5200745466241027
Energy: 0.4995666441016412
Energy: 0.5021220797741532
Energy: 0.5200745466218861
Energy: 0.4995666441002307
Energy: 0.5021220797769742
Energy: 0.5195621468462772
Energy: 0.5184791546739549
Energy: 0.6237227058903343
Energy: 0.5195621468460757
Energy: 0.5184791546737534
Energy: 0.6237227058895283
Energy: 0.5195621468464787
Energy: 0.5184791546719583
Energy: 0.6237227058903343
Energy: 0.5195621468454712
Energy: 0.5624123507168546
Energy: 0.5260745958019176
Energy: 0.5224798903766819
Energy: 0.5624123507142351
Energy: 0.5260745958025222
Energy: 0.5224798903762788
Energy: 0.5624123507160486
Energy: 0.5260745957997012
Energy: 0.5224798903756742
Energy: 0.562412350715444
Energy: 0.5846546303673303
Energy: 0.5375679314037662
Energy: 0.5275074153929289
Energy: 0.5846546303665243
Energy: 0.5375679314021542
Energy: 0.5275074153927273
Energy: 0.584654630369144
Energy: 0.5375679314041693
Energy: 0.5275074153931303
Energy: 0.5846546303651139
Energy: 0.5255134522806062
Energy: 0.5188540647192326
Energy: 0.5343474864502032
Energy: 0.5255134522802032
Energy: 0.5188540647174191
Energy: 0.5343474864544349
Energy: 0.5255134522804047
Energy: 0.5188540647204416
Energy: 0.5343474864504049
Energy: 0.5255134522804047
Energy: 0.5307059091588924
Energy: 0.48779605441859125
Energy: 0.48766634749379606
Energy: 0.5307059091592954
Energy: 0.4877960544189944
Energy: 0.4876663474960126
Energy: 0.5307059091592954
Energy: 0.48779605441798685
Energy: 0.48766634749621407
Energy: 0.5307059091592954
Energy: 0.525185461310703
Energy: 0.5342090783855706
Energy: 0.5186959478603664
Energy: 0.5251854613084865
Energy: 0.5342090783843618
Energy: 0.5186959478583514
Energy: 0.525185461309494
Energy: 0.5342090783873843
Energy: 0.5186959478573439
Energy: 0.5251854613105015
Energy: 0.5846579612832783
Energy: 0.5275738692649681
Energy: 0.5375992975500518
Energy: 0.5846579612856962
Energy: 0.5275738692639604
Energy: 0.5375992975508578
Energy: 0.5846579612869052
Energy: 0.5275738692649681
Energy: 0.5375992975500518
Energy: 0.5846579612875097
Energy: 0.5624213653617727
Energy: 0.5224119396006455
Energy: 0.5260671871518695
Energy: 0.5624213653623773
Energy: 0.5224119396010485
Energy: 0.5260671871488469
Energy: 0.5624213653611682
Energy: 0.5224119396010485
Energy: 0.526067187150459
Energy: 0.5624213653629817
Energy: 0.5195314835302285
Energy: 0.623731568301977
Energy: 0.518497239015625
Energy: 0.5195314835276089
Energy: 0.623731568301574
Energy: 0.5184972390166326
Energy: 0.5195314835330496
Energy: 0.6237315683011709
Energy: 0.5184972390160282
Energy: 0.5195314835312359

minimum gb energy = 0.4876663474935946 eV
minimum distance =  2.50696748027694 Angstroms
sigma value = 293


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

Energy: 0.4897939230938943
Energy: 0.49016843598131754
Energy: 0.49008678144716084
Energy: 0.4897939230946227
Energy: 0.49016843598204596
Energy: 0.49008678144825335
Energy: 0.4897939230938943
Energy: 0.4901684359809534
Energy: 0.49008678144716084
Energy: 0.4897939230946227
Energy: 0.5402301799347282
Energy: 0.49010393934097607
Energy: 0.540180504515515
Energy: 0.5402301799358208
Energy: 0.49010393933988344
Energy: 0.5401805045140582
Energy: 0.5402301799347282
Energy: 0.49010393934097607
Energy: 0.540180504515515
Energy: 0.5402301799361849
Energy: 0.48993630137770044
Energy: 0.48980738061436163
Energy: 0.4674642692532791
Energy: 0.4899363013755153
Energy: 0.4898073806139975
Energy: 0.4674642692532791
Energy: 0.48993630137770044
Energy: 0.48980738061436163
Energy: 0.4674642692514582
Energy: 0.4899363013755153
Energy: 0.46881735537249036
Energy: 0.4898090352893122
Energy: 0.4899228616756876
Energy: 0.46881735537249036
Energy: 0.4898090352900406
Energy: 0.48992286167532334
Energy: 0.4688173553739471
Energy: 0.4898090352893122
Energy: 0.4899228616756876
Energy: 0.4688173553746755
Energy: 0.5402188471267861
Energy: 0.49009275925525814
Energy: 0.5402247415520164
Energy: 0.5402188471249652
Energy: 0.4900927592567149
Energy: 0.5402247415527448
Energy: 0.5402188471267861
Energy: 0.49009275925525814
Energy: 0.5402247415520164
Energy: 0.5402188471249652
Energy: 0.49016843598204596
Energy: 0.49008678144825335
Energy: 0.4897939230938943
Energy: 0.4901684359809534
Energy: 0.49008678144752493
Energy: 0.4897939230946227
Energy: 0.49016843598204596
Energy: 0.49008678144825335
Energy: 0.4897939230935301
Energy: 0.49016843598131754
Energy: 0.49010393933988344
Energy: 0.5401805045144225
Energy: 0.5402301799347282
Energy: 0.49010393934097607
Energy: 0.5401805045158793
Energy: 0.5402301799358208
Energy: 0.4901039393402476
Energy: 0.5401805045140582
Energy: 0.5402301799347282
Energy: 0.49010393934061186
Energy: 0.4898073806139975
Energy: 0.46746426925437173
Energy: 0.48993630137770044
Energy: 0.48980738061436163
Energy: 0.4674642692547359
Energy: 0.4899363013755153
Energy: 0.4898073806139975
Energy: 0.4674642692532791
Energy: 0.48993630137770044
Energy: 0.48980738061436163
Energy: 0.48980903529040476
Energy: 0.48992286167532334
Energy: 0.46881735537212615
Energy: 0.4898090352893122
Energy: 0.4899228616756876
Energy: 0.468817355371762
Energy: 0.4898090352900406
Energy: 0.48992286167532334
Energy: 0.46881735537358293
Energy: 0.4898090352893122
Energy: 0.4900927592567149
Energy: 0.5402247415527448
Energy: 0.5402188471267861
Energy: 0.49009275925562235
Energy: 0.5402247415520164
Energy: 0.5402188471249652
Energy: 0.4900927592570625
Energy: 0.5402247415527448
Energy: 0.5402188471267861
Energy: 0.49009275925525814
Energy: 0.49008678144716084
Energy: 0.4897939230946227
Energy: 0.49016843598204596
Energy: 0.49008678144825335
Energy: 0.4897939230938943
Energy: 0.49016843598131754
Energy: 0.49008678144716084
Energy: 0.4897939230946227
Energy: 0.49016843598204596
Energy: 0.4900867814486175
Energy: 0.5401805045158793
Energy: 0.5402301799358208
Energy: 0.49010393933988344
Energy: 0.5401805045144225
Energy: 0.5402301799347282
Energy: 0.49010393934097607
Energy: 0.5401805045158793
Energy: 0.5402301799358208
Energy: 0.49010393933988344
Energy: 0.5401805045144225
Energy: 0.46746426925291495
Energy: 0.4899363013755153
Energy: 0.4898073806139975
Energy: 0.46746426925182233
Energy: 0.48993630137770044
Energy: 0.48980738061436163
Energy: 0.4674642692554643
Energy: 0.48993630137587946
Energy: 0.4898073806136332
Energy: 0.4674642692540075
Energy: 0.4899228616756876
Energy: 0.4688173553746755
Energy: 0.48980903529040476
Energy: 0.48992286167532334
Energy: 0.4688173553732188
Energy: 0.489809035288948
Energy: 0.4899228616756876
Energy: 0.46881735537249036
Energy: 0.48980903529040476
Energy: 0.48992286167532334
Energy: 0.5402247415516521
Energy: 0.5402188471249652
Energy: 0.4900927592567149
Energy: 0.5402247415527448
Energy: 0.5402188471267861
Energy: 0.49009275925525814
Energy: 0.5402247415520164
Energy: 0.5402188471249652
Energy: 0.4900927592567149
Energy: 0.5402247415527448
Energy: 0.4897939230938943
Energy: 0.49016843598131754
Energy: 0.49008678144716084
Energy: 0.4897939230946227
Energy: 0.49016843598204596
Energy: 0.49008678144825335
Energy: 0.4897939230938943
Energy: 0.49016843598131754
Energy: 0.49008678144716084
Energy: 0.4897939230946227
Energy: 0.5402301799343641
Energy: 0.49010393934061186
Energy: 0.5401805045158793
Energy: 0.5402301799354565
Energy: 0.49010393933988344
Energy: 0.5401805045144225
Energy: 0.5402301799343641
Energy: 0.49010393934061186
Energy: 0.5401805045158793
Energy: 0.5402301799358208
Energy: 0.48993630137770044
Energy: 0.48980738061436163
Energy: 0.4674642692532791
Energy: 0.48993630137587946
Energy: 0.4898073806136332
Energy: 0.46746426925218654
Energy: 0.48993630137770044
Energy: 0.48980738061436163
Energy: 0.4674642692540075
Energy: 0.48993630137587946
Energy: 0.46881735537212615
Energy: 0.489809035288948
Energy: 0.4899228616756876
Energy: 0.4688173553768606
Energy: 0.4898090352900406
Energy: 0.48992286167532334
Energy: 0.46881735537503966
Energy: 0.4898090352893122
Energy: 0.4899228616756876
Energy: 0.46881735537358293
Energy: 0.540218847126422
Energy: 0.49009275925525814
Energy: 0.5402247415516521
Energy: 0.5402188471249652
Energy: 0.4900927592567149
Energy: 0.5402247415527448
Energy: 0.540218847126422
Energy: 0.49009275925525814
Energy: 0.5402247415516521
Energy: 0.5402188471249652
Energy: 0.49016843598204596
Energy: 0.4900867814486175
Energy: 0.4897939230938943
Energy: 0.4901684359809534
Energy: 0.49008678144716084
Energy: 0.4897939230946227
Energy: 0.49016843598168175
Energy: 0.49008678144825335
Energy: 0.4897939230935301
Energy: 0.4901684359809534
Energy: 0.49010393933988344
Energy: 0.5401805045144225
Energy: 0.5402301799343641
Energy: 0.49010393934061186
Energy: 0.5401805045158793
Energy: 0.5402301799354565
Energy: 0.49010393933988344
Energy: 0.5401805045144225
Energy: 0.5402301799343641
Energy: 0.49010393934061186

minimum gb energy = 0.4674642692514582 eV
minimum distance =  2.59853971622197 Angstroms
sigma value = 15


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

Energy: 0.5058410778238336
Energy: 0.515258398368273
Energy: 0.5151075940925981
Energy: 0.5058410778221827
Energy: 0.5152583983765272
Energy: 0.5151075940909472
Energy: 0.5058410778238336
Energy: 0.5152583983715747
Energy: 0.5151075940925981
Energy: 0.5058410778221827
Energy: 0.5687006532475429
Energy: 0.5131642694848961
Energy: 0.5692992008766388
Energy: 0.5687006532409395
Energy: 0.5131642694832452
Energy: 0.5692992008766388
Energy: 0.5687006532458921
Energy: 0.5131642694848961
Energy: 0.5692992008782896
Energy: 0.5687006532458921
Energy: 0.5171382040602179
Energy: 0.500302092992032
Energy: 0.5948314683897272
Energy: 0.5171382040602179
Energy: 0.500302092992032
Energy: 0.5948314683930289
Energy: 0.5171382040602179
Energy: 0.500302092992032
Energy: 0.5948314683880763
Energy: 0.5171382040602179
Energy: 0.49946370784583266
Energy: 0.5002111015579354
Energy: 0.49764091314532244
Energy: 0.49946370784583266
Energy: 0.5002111015579354
Energy: 0.49764091314367165
Energy: 0.49946370784583266
Energy: 0.5002111015595863
Energy: 0.49764091314532244
Energy: 0.49946370784583266
Energy: 0.565295311557203
Energy: 0.5125078058433515
Energy: 0.5370900953254821
Energy: 0.5652953115588539
Energy: 0.5125078058417007
Energy: 0.5370900953254821
Energy: 0.565295311557203
Energy: 0.5125078058417007
Energy: 0.5370900953254821
Energy: 0.565295311557203
Energy: 0.5203977402970331
Energy: 0.5632280058826235
Energy: 0.492885080342599
Energy: 0.5203977402970331
Energy: 0.5632280058793216
Energy: 0.4928850803409481
Energy: 0.5203977402970331
Energy: 0.5632280058809725
Energy: 0.492885080342599
Energy: 0.5203977402970331
Energy: 0.5009553242782787
Energy: 0.5530931457054553
Energy: 0.5297859520418853
Energy: 0.5009553242782787
Energy: 0.5530931457071062
Energy: 0.5297859520435362
Energy: 0.5009553242782787
Energy: 0.5530931457054553
Energy: 0.5297859520418853
Energy: 0.5009553242782787
Energy: 0.5153094950133671
Energy: 0.5608495234250046
Energy: 0.5506910521522159
Energy: 0.5153094950133671
Energy: 0.5608495234283063
Energy: 0.5506910521522159
Energy: 0.5153094950133671
Energy: 0.5608495234266554
Energy: 0.5506910521522159
Energy: 0.5153094950133671
Energy: 0.5726952596533804
Energy: 0.5064478427957215
Energy: 0.5068418294482563
Energy: 0.5726952596649365
Energy: 0.5064478427940707
Energy: 0.5068418294482563
Energy: 0.5726952596170913
Energy: 0.5064478427940707
Energy: 0.5068418294482563
Energy: 0.5726952596071863
Energy: 0.5128334495484204
Energy: 0.5696513728867592
Energy: 0.5237949195874473
Energy: 0.5128334495484204
Energy: 0.56965137288841
Energy: 0.5237949195874473
Energy: 0.5128334495484204
Energy: 0.5696513728867592
Energy: 0.5237949195857964
Energy: 0.5128334495484204
Energy: 0.5081333093674637
Energy: 0.5050943599422724
Energy: 0.5332440853224576
Energy: 0.5081333093674637
Energy: 0.5050943599422724
Energy: 0.5332440853241085
Energy: 0.5081333093674637
Energy: 0.5050943599422724
Energy: 0.5332440853241085
Energy: 0.5081333093674637
Energy: 0.5224361920187429
Energy: 0.49435815758107654
Energy: 0.5611252666886246
Energy: 0.5224361920203938
Energy: 0.49435815758107654
Energy: 0.5611252666886246
Energy: 0.5224361920187429
Energy: 0.49435815758107654
Energy: 0.5611252666886246
Energy: 0.5224361920203938
Energy: 0.5730827770079497
Energy: 0.49846458832947577
Energy: 0.5680628134352979
Energy: 0.5730827770079497
Energy: 0.49846458832947577
Energy: 0.5680628134369488
Energy: 0.5730827770079497
Energy: 0.49846458832947577
Energy: 0.5680628134369488
Energy: 0.5730827770079497
Energy: 0.4937395911718422
Energy: 0.49361694144303364
Energy: 0.6092047107807673
Energy: 0.4937395911734931
Energy: 0.49361694144468443
Energy: 0.6092047107807673
Energy: 0.4937395911718422
Energy: 0.49361694144303364
Energy: 0.6092047107824182
Energy: 0.4937395911734931
Energy: 0.5288669699203595
Energy: 0.5932908754176628
Energy: 0.4998016705495351
Energy: 0.5288669699203595
Energy: 0.5932908754209647
Energy: 0.4998016705495351
Energy: 0.5288669699203595
Energy: 0.5932908754193138
Energy: 0.4998016705495351
Energy: 0.5288669699220104
Energy: 0.50453820777147
Energy: 0.5503910748986863
Energy: 0.564301549638488
Energy: 0.50453820777147
Energy: 0.5503910748970355
Energy: 0.5643015496368372
Energy: 0.50453820777147
Energy: 0.5503910748986863
Energy: 0.564301549638488
Energy: 0.5045382077731209
Energy: 0.5085406492071458
Energy: 0.5097235098689871
Energy: 0.5777060459309757
Energy: 0.5085406492071458
Energy: 0.5097235098706379
Energy: 0.5777060459326266
Energy: 0.5085406492071458
Energy: 0.5097235098689871
Energy: 0.5777060459309757
Energy: 0.5085406492071458
Energy: 0.5822885349512207
Energy: 0.5291386440819457
Energy: 0.5715399820589602
Energy: 0.5822885349446172
Energy: 0.5291386440819457
Energy: 0.571539982060611
Energy: 0.5822885349512207
Energy: 0.5291386440819457
Energy: 0.5715399820589602
Energy: 0.5822885349528715
Energy: 0.5052129471185168
Energy: 0.5592150183293548
Energy: 0.5240654629121592
Energy: 0.5052129471185168
Energy: 0.5592150183310056
Energy: 0.5240654629105084
Energy: 0.5052129471185168
Energy: 0.5592150183293548
Energy: 0.5240654629121592
Energy: 0.5052129471185168
Energy: 0.5624768180716305
Energy: 0.5005018224815687
Energy: 0.5205491174613335
Energy: 0.5624768180732814
Energy: 0.5005018224832195
Energy: 0.5205491174613335
Energy: 0.5624768180716305
Energy: 0.5005018224832195
Energy: 0.5205491174613335
Energy: 0.5624768180716305
Energy: 0.5226197351992745
Energy: 0.5143909791240402
Energy: 0.571504475374314
Energy: 0.5226197351992745
Energy: 0.5143909791223893
Energy: 0.5715044753726631
Energy: 0.5226197351992745
Energy: 0.5143909791240402
Energy: 0.571504475374314
Energy: 0.5226197351992745
Energy: 0.5635797528330191
Energy: 0.6195530155139813
Energy: 0.4930266592894397
Energy: 0.5635797528330191
Energy: 0.6195530155139813
Energy: 0.4930266592894397
Energy: 0.5635797528330191
Energy: 0.6195530155139813
Energy: 0.4930266592894397
Energy: 0.56357975283467
Energy: 0.5005329891105839
Energy: 0.5002851793831335
Energy: 0.5295486207517915
Energy: 0.5005329891105839
Energy: 0.5002851793847845
Energy: 0.5295486207517915
Energy: 0.5005329891105839
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Energy: 0.5005329891105839
Energy: 0.4966142096984715
Energy: 0.5126671886002412
Energy: 0.5079927706799753
Energy: 0.4966142096984715
Energy: 0.5126671886018922
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Energy: 0.5583572575131033
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Energy: 0.5068778590125929
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Energy: 0.5583572575131033
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Energy: 0.5583572575114524
Energy: 0.5128406845927517
Energy: 0.5668787648204846
Energy: 0.5243069158230501
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Energy: 0.5243069158230501
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Energy: 0.5668787648204846
Energy: 0.5243069158230501
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Energy: 0.5239337467591142
Energy: 0.5086814589653827
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Energy: 0.5086814589653827
Energy: 0.535329227879086
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Energy: 0.535329227880737
Energy: 0.5239337467591142
Energy: 0.5366169630747056
Energy: 0.5674042805420964
Energy: 0.5620336576851194
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Energy: 0.5674042805437471
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Energy: 0.6051794912486486
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Energy: 0.6051794912486486
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Energy: 0.5421820900603089
Energy: 0.6051794912486486
Energy: 0.49441908446450805
Energy: 0.5421820900603089
Energy: 0.6051794912502995
Energy: 0.5732440091229567
Energy: 0.49368087712320863
Energy: 0.5606958758131676
Energy: 0.5732440091213059
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Energy: 0.5606958758115165
Energy: 0.5732440091229567
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Energy: 0.5606958758131676
Energy: 0.5732440091213059
Energy: 0.6013712017948489
Energy: 0.5633483503889813
Energy: 0.49829208184977497
Energy: 0.6013712017998016
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Energy: 0.49829208184977497
Energy: 0.6013712017981507
Energy: 0.5633483503856795
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Energy: 0.6013712017981507
Energy: 0.5063825555517147
Energy: 0.5490327450403626
Energy: 0.5604674016937884
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Energy: 0.5490327450420136
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Energy: 0.5490327450403626
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Energy: 0.5064412489571863
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Energy: 0.5146952195287298
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Energy: 0.514695219527079
Energy: 0.5064412489571863
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Energy: 0.5063811302946186
Energy: 0.5646679879754037
Energy: 0.5559417721265492
Energy: 0.5063811302962695
Energy: 0.5646679879754037
Energy: 0.5559417721265492
Energy: 0.5063811302946186
Energy: 0.5646679879754037
Energy: 0.5559417721265492
Energy: 0.5063811302962695
Energy: 0.5075978321690471
Energy: 0.598908793298874
Energy: 0.5718062222134838
Energy: 0.507597832170698
Energy: 0.598908793298874
Energy: 0.5718062222151346
Energy: 0.5075978321690471
Energy: 0.598908793298874
Energy: 0.5718062222134838
Energy: 0.507597832170698
Energy: 0.601397826127775
Energy: 0.4988240649981094
Energy: 0.5780779343968117
Energy: 0.6013978261294259
Energy: 0.4988240649964586
Energy: 0.578077934390208
Energy: 0.601397826127775
Energy: 0.4988240649981094
Energy: 0.5780779343968117
Energy: 0.6013978261310768
Energy: 0.5723873724374874
Energy: 0.5611148921734088
Energy: 0.49350163771519173
Energy: 0.5723873724374874
Energy: 0.5611148921734088
Energy: 0.49350163771023914
Energy: 0.5723873724374874
Energy: 0.5611148921750596
Energy: 0.49350163771519173
Energy: 0.5723873724374874
Energy: 0.5708269311045001
Energy: 0.5469287987666563
Energy: 0.4944490939551553
Energy: 0.5708269311078018
Energy: 0.5469287987666563
Energy: 0.4944490939551553
Energy: 0.5708269311045001
Energy: 0.5469287987666563
Energy: 0.4944490939551553
Energy: 0.5708269311028491
Energy: 0.5528776227526994
Energy: 0.5624222116324954
Energy: 0.5667097836410889
Energy: 0.5528776227526994
Energy: 0.5624222116324954
Energy: 0.5667097836410889
Energy: 0.5528776227526994
Energy: 0.5624222116324954
Energy: 0.5667097836410889
Energy: 0.5528776227526994
Energy: 0.5926168014360412
Energy: 0.5333856958776092
Energy: 0.5081275687455846
Energy: 0.5926168014343903
Energy: 0.5333856958759584
Energy: 0.5081275687455846
Energy: 0.5926168014360412
Energy: 0.5333856958792601
Energy: 0.5081275687455846
Energy: 0.5926168014343903
Energy: 0.5141950758351038
Energy: 0.5069739715438195
Energy: 0.5079614385359303
Energy: 0.514195075833453
Energy: 0.5069739715421687
Energy: 0.5079614385359303
Energy: 0.5141950758351038
Energy: 0.5069739715438195
Energy: 0.5079614385359303
Energy: 0.514195075833453
Energy: 0.564144168243449
Energy: 0.5067016951971112
Energy: 0.5071398289632422
Energy: 0.564144168243449
Energy: 0.5067016951971112
Energy: 0.5071398289632422
Energy: 0.564144168243449
Energy: 0.5067016951971112
Energy: 0.5071398289632422
Energy: 0.564144168243449
Energy: 0.5690441390160419
Energy: 0.5081139234335509
Energy: 0.5921205511265809
Energy: 0.5690441390160419
Energy: 0.5081139234319
Energy: 0.5921205511282317
Energy: 0.5690441390160419
Energy: 0.5081139234335509
Energy: 0.5921205511265809
Energy: 0.5690441390160419
Energy: 0.5003128831446939
Energy: 0.5799541160592782
Energy: 0.5003863734726239
Energy: 0.5003128831463448
Energy: 0.5799541160559764
Energy: 0.5003863734726239
Energy: 0.5003128831446939
Energy: 0.5799541160526748
Energy: 0.5003863734726239
Energy: 0.5003128831463448
Energy: 0.5630146396369868
Energy: 0.4937871060457824
Energy: 0.5790501606645059
Energy: 0.5630146396435903
Energy: 0.49378710604908416
Energy: 0.5790501606645059
Energy: 0.5630146396386377
Energy: 0.4937871060457824
Energy: 0.5790501606645059
Energy: 0.5630146396353359
Energy: 0.5722832094382425
Energy: 0.49794123498316034
Energy: 0.5644814224207979
Energy: 0.5722832094382425
Energy: 0.49794123498316034
Energy: 0.5644814224224488
Energy: 0.5722832094382425
Energy: 0.49794123498316034
Energy: 0.5644814224207979
Energy: 0.5722832094382425
Energy: 0.5626346181007394
Energy: 0.5201145112759552
Energy: 0.49979735556601235
Energy: 0.5626346181040411
Energy: 0.5201145112743042
Energy: 0.4997973555676632
Energy: 0.5626346181040411
Energy: 0.5201145112743042
Energy: 0.4997973555676632
Energy: 0.5626346181007394
Energy: 0.5076485988385055
Energy: 0.5133674966020038
Energy: 0.5377477794441509
Energy: 0.5076485988385055
Energy: 0.5133674966036547
Energy: 0.5377477794458018
Energy: 0.5076485988385055
Energy: 0.5133674966020038
Energy: 0.5377477794458018
Energy: 0.5076485988385055
Energy: 0.5061750748905628
Energy: 0.5560377986247306
Energy: 0.5812765033219018
Energy: 0.5061750748905628
Energy: 0.5560377986247306
Energy: 0.5812765033219018
Energy: 0.5061750748905628
Energy: 0.5560377986263815
Energy: 0.5812765033219018
Energy: 0.5061750748905628

minimum gb energy = 0.4928850803409481 eV
minimum distance =  2.5276113659164 Angstroms
sigma value = 437


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

Energy: 0.5019603386786309
Energy: 0.5118089867465933
Energy: 0.5118433206476243
Energy: 0.5019603386774282
Energy: 0.5118089867471945
Energy: 0.5118433206464216
Energy: 0.5019603386786309
Energy: 0.5118089867465933
Energy: 0.511843320647023
Energy: 0.5019603386774282
Energy: 0.5388559616311149
Energy: 0.49193343180757587
Energy: 0.5445857071427573
Energy: 0.5388559616311149
Energy: 0.49193343180757587
Energy: 0.5445857071397502
Energy: 0.5388559616311149
Energy: 0.49193343180757587
Energy: 0.5445857071427573
Energy: 0.5388559616311149
Energy: 0.5649438579378673
Energy: 0.48675522470391286
Energy: 0.6254659782328308
Energy: 0.5649438579384689
Energy: 0.48675522470511573
Energy: 0.6254659782334322
Energy: 0.5649438579384689
Energy: 0.4867552247033114
Energy: 0.6254659782322293
Energy: 0.5649438579384689
Energy: 0.5436684283255993
Energy: 0.5825021396995946
Energy: 0.5323637290506025
Energy: 0.5436684283286065
Energy: 0.582502139694783
Energy: 0.532363729051778
Energy: 0.5436684283255993
Energy: 0.5825021396965874
Energy: 0.5323637290506025
Energy: 0.5436684283286065
Energy: 0.515253182874789
Energy: 0.4998294708415435
Energy: 0.6242602560240923
Energy: 0.5152531828735862
Energy: 0.49982947083973917
Energy: 0.6242602560234909
Energy: 0.515253182874789
Energy: 0.4998294708415435
Energy: 0.6242602560234909
Energy: 0.5152531828741878
Energy: 0.5451078206110146
Energy: 0.557951652872775
Energy: 0.4930356087231559
Energy: 0.5451078206116161
Energy: 0.5579516528745793
Energy: 0.4930356087267646
Energy: 0.5451078206110146
Energy: 0.5579516528733764
Energy: 0.4930356087231559
Energy: 0.5451078206122175
Energy: 0.5062227036851442
Energy: 0.5068192600904565
Energy: 0.4868434128496405
Energy: 0.5223075076008351
Energy: 0.5068192600892537
Energy: 0.4868434128478361
Energy: 0.5223075076002336
Energy: 0.5068192600904565
Energy: 0.4868434128496405
Energy: 0.5223075076008351
Energy: 0.5305134781509816
Energy: 0.558717196685649
Energy: 0.5303858858061605
Energy: 0.5305134781521845
Energy: 0.5587171966850477
Energy: 0.5303858858073633
Energy: 0.5305134781509816
Energy: 0.558717196685649
Energy: 0.5303858858067619
Energy: 0.530513478151583
Energy: 0.6747220762895141
Energy: 0.5445895535437393
Energy: 0.5002331451031699
Energy: 0.6747220762865068
Energy: 0.5445895535425365
Energy: 0.5002331451031699
Energy: 0.6747220762883112
Energy: 0.5445895535437393
Energy: 0.5002331451031699
Energy: 0.6747220762859054
Energy: 0.5327635091636771
Energy: 0.5469296867155233
Energy: 0.56662281160557
Energy: 0.53276350916488
Energy: 0.5469296867191319
Energy: 0.5666228116151658
Energy: 0.5327635091630758
Energy: 0.5469296867155233
Energy: 0.5666228116704708
Energy: 0.53276350916488
Energy: 0.530961650838184
Energy: 0.5310411836435793
Energy: 0.5521480868726909
Energy: 0.5309616508387857
Energy: 0.5310411836411736
Energy: 0.5521480868732924
Energy: 0.530961650838184
Energy: 0.5310411836435793
Energy: 0.5521480868726909
Energy: 0.530961650838184
Energy: 0.5479502056414105
Energy: 0.49507605829004026
Energy: 0.5539885149447332
Energy: 0.5479502056408092
Energy: 0.4950760582888374
Energy: 0.5539885149441318
Energy: 0.5479502056426134
Energy: 0.49507605829004026
Energy: 0.5539885149447332
Energy: 0.5479502056408092
Energy: 0.49623457374255286
Energy: 0.5769141566272454
Energy: 0.4999146471920912
Energy: 0.49623457374074853
Energy: 0.576914156626644
Energy: 0.4999146471920912
Energy: 0.49623457374255286
Energy: 0.5769141566284484
Energy: 0.4999146471920912
Energy: 0.49623457374074853
Energy: 0.5021465520962678
Energy: 0.5097043287743848
Energy: 0.5292430420320198
Energy: 0.5021465520980721
Energy: 0.5097043287731818
Energy: 0.5292430420332226
Energy: 0.5021465520962678
Energy: 0.5097043287749862
Energy: 0.5292430420320198
Energy: 0.5021465520968693

minimum gb energy = 0.4867552247033114 eV
minimum distance =  2.53517560871523 Angstroms
sigma value = 33