Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015379459167108178
Energy: 0.2476191126966482
Energy: 0.015379459166303533
Energy: 0.24761911269545275
Energy: 0.015379459167108178
Energy: 0.24761911269706202
Energy: 0.015379459165889718
Energy: 0.015828460142974156
Energy: 0.8011785943379767
Energy: 0.015828460143387974
Energy: 0.8011785943375858
Energy: 0.015828460143387974
Energy: 0.8011785943351488
Energy: 0.0158284601437788
Energy: 0.28438939360617077
Energy: 0.4391285103459501
Energy: 0.2850058653577536
Energy: 0.43912851034634093
Energy: 0.2835246977764952
Energy: 0.4391285103447316
Energy: 0.2843372194526576
Energy: 0.01582846014216951
Energy: 0.801178594337172
Energy: 0.015828460142974156
Energy: 0.801178594337172
Energy: 0.015828460143387974
Energy: 0.8011785943379767
Energy: 0.01582846014258333
Energy: 0.015379459164280428
Energy: 0.24761911269545275
Energy: 0.015379459165085072
Energy: 0.2476191126946251
Energy: 0.015379459167108178
Energy: 0.2476191126962574
Energy: 0.015379459165498889
Energy: 0.01582846014258333
Energy: 0.8011785943363673
Energy: 0.01582846014258333
Energy: 0.8011785943355626
Energy: 0.015828460142974156
Energy: 0.8011785943343442
Energy: 0.015828460143387974

minimum gb energy = 0.015379459164280428 eV
minimum distance =  2.45966967141135 Angstroms
sigma value = 5


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

Energy: 0.636777052013262
Energy: 0.6079169202806548
Energy: 0.6367770520147449
Energy: 0.6079169202841151
Energy: 0.6367770520098017
Energy: 0.6079169202811491
Energy: 0.636777052013262
Energy: 0.6055897533968587
Energy: 0.5811894646387593
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Energy: 0.5811894646387593
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Energy: 0.542752932100221
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Energy: 0.6025239462856021
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Energy: 0.5719379841696915
Energy: 0.6025239462865908
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Energy: 0.5794642439315166
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Energy: 0.5523634629376453
Energy: 0.6228807915647961
Energy: 0.5523634629415998
Energy: 0.6228807915628188
Energy: 0.5523634629376453
Energy: 0.6228807915643018
Energy: 0.5523634629406111
Energy: 0.5392362126996918
Energy: 0.5761866700336322
Energy: 0.5392362127011747
Energy: 0.5761866700351153
Energy: 0.5392362126982089
Energy: 0.5761866700336322
Energy: 0.5392362127080953
Energy: 0.5521548392043562
Energy: 0.5540678152904666
Energy: 0.552154839194964
Energy: 0.5540678152929381
Energy: 0.5521548392043562
Energy: 0.5540678152904666
Energy: 0.5521548391944696
Energy: 0.608302749138588
Energy: 0.5683941521260227
Energy: 0.608302749134139
Energy: 0.5683941521250341
Energy: 0.6083027491395766
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Energy: 0.6083027491336447
Energy: 0.5490643053798353
Energy: 0.5857192537185701
Energy: 0.5490643053788467
Energy: 0.585719253713627
Energy: 0.5490643053783523
Energy: 0.5857192537180759
Energy: 0.5490643053793409

minimum gb energy = 0.5082023422501055 eV
minimum distance =  2.27804735310747 Angstroms
sigma value = 401


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

Energy: 0.6316907421962827
Energy: 0.6485604771107898
Energy: 0.6316907421984762
Energy: 0.6485604771063009
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Energy: 0.5841080528720106
Energy: 0.5881920066513742
Energy: 0.5841080528714495
Energy: 0.5881920066625453
Energy: 0.5841080528731328
Energy: 0.5881920066563731
Energy: 0.5900499786048967
Energy: 0.5836564593919383
Energy: 0.5900499786105078
Energy: 0.5836564593913772
Energy: 0.5900499786065799
Energy: 0.5836564593930605
Energy: 0.5900499786026522
Energy: 0.5685400962078926
Energy: 0.6487312773916913
Energy: 0.5685400962090148
Energy: 0.6487312773956191
Energy: 0.5685400962062092
Energy: 0.6487312773922524
Energy: 0.5685400962034037
Energy: 0.5122906593057517
Energy: 0.5808527093112791
Energy: 0.5122906593085574
Energy: 0.5808527093208179
Energy: 0.5122906593001406
Energy: 0.5808527093174514
Energy: 0.5122906593018239
Energy: 0.5898327787008155
Energy: 0.5762355652281829
Energy: 0.5898327786957656
Energy: 0.5762355652276218
Energy: 0.5898327786996933
Energy: 0.5762355652281829
Energy: 0.5898327786957656
Energy: 0.4832999910408795
Energy: 0.5884408251811687
Energy: 0.4832999910380739
Energy: 0.5884408251862187
Energy: 0.4832999910408795
Energy: 0.5884408251806075
Energy: 0.4832999910380739
Energy: 0.6256129677196646
Energy: 0.6318918168460668
Energy: 0.6256129677151757
Energy: 0.6318918168471891
Energy: 0.6256129677230312
Energy: 0.6318918168528002
Energy: 0.625612967732009
Energy: 0.48322921829795507
Energy: 0.5828930738059481
Energy: 0.4832292182985162
Energy: 0.5828930738042647
Energy: 0.483229218297394
Energy: 0.5828930738087535
Energy: 0.4832292182990774

minimum gb energy = 0.483229218297394 eV
minimum distance =  2.30855028053338 Angstroms
sigma value = 311


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

Energy: 0.5863284449854047
Energy: 0.6508131707761677
Energy: 0.586328444983461
Energy: 0.6508131707761677
Energy: 0.5863284449860525
Energy: 0.6508131707774636
Energy: 0.5863284449879963
Energy: 0.6039258951189987
Energy: 0.5928364150110639
Energy: 0.6039258951189987
Energy: 0.5928364150123596
Energy: 0.6039258951189987
Energy: 0.5928364150162471
Energy: 0.6039258951196466
Energy: 0.5556106378344937
Energy: 0.5676115870505941
Energy: 0.555610637831902
Energy: 0.5676115870525379
Energy: 0.5556106378338458
Energy: 0.5676115870512419
Energy: 0.5556106378331979
Energy: 0.6492527061650832
Energy: 0.6180280917847025
Energy: 0.6492527061657312
Energy: 0.6180280917853505
Energy: 0.6492527061631395
Energy: 0.6180280917834066
Energy: 0.6492527061637874
Energy: 0.6397802397724609
Energy: 0.6623414739836778
Energy: 0.639780239771165
Energy: 0.6623414739862694
Energy: 0.6397802397737569
Energy: 0.6623414739856215
Energy: 0.6397802397757005
Energy: 0.5641528984375991
Energy: 0.6959668966327901
Energy: 0.5641528984401906
Energy: 0.6959668966314942
Energy: 0.5641528984414864
Energy: 0.6959668966282546
Energy: 0.5641528984395426
Energy: 0.5918635254817378
Energy: 0.703304162703711
Energy: 0.5918635254843293
Energy: 0.7033041627056548
Energy: 0.5918635254810899
Energy: 0.703304162704359
Energy: 0.5918635254817378
Energy: 0.6061656129637214
Energy: 0.6200945298422958
Energy: 0.6061656129617777
Energy: 0.6200945298390562
Energy: 0.6061656129643693
Energy: 0.6200945298416479
Energy: 0.6061656129630735
Energy: 0.5958430585458916
Energy: 0.6141134818037699
Energy: 0.5958430585465395
Energy: 0.614113481802474
Energy: 0.5958430585465395
Energy: 0.6141134818050658
Energy: 0.5958430585452437
Energy: 0.5757957744328539
Energy: 0.6778975759777147
Energy: 0.5757957744335017
Energy: 0.6778975759777147
Energy: 0.5757957744328539
Energy: 0.6778975759809542
Energy: 0.575795774431558
Energy: 0.6160281249921049
Energy: 0.6600689385969584
Energy: 0.6160281249921049
Energy: 0.6600689385950146
Energy: 0.616028124992753
Energy: 0.6600689385950146
Energy: 0.616028124992753
Energy: 0.6745743068392696
Energy: 0.6604542764627866
Energy: 0.6745743068353821
Energy: 0.6604542764647304
Energy: 0.6745743068334382
Energy: 0.6604542764653784
Energy: 0.6745743068379737
Energy: 0.6522199805486484
Energy: 0.6450376273370526
Energy: 0.6522199805480005
Energy: 0.645037627335109
Energy: 0.6522199805480005
Energy: 0.6450376273389964
Energy: 0.6522199805480005
Energy: 0.5719708595045505
Energy: 0.5836664848187485
Energy: 0.5719708595051983
Energy: 0.5836664848161568
Energy: 0.5719708595058463
Energy: 0.5836664848161568
Energy: 0.5719708595051983
Energy: 0.6251590588884086
Energy: 0.5837575239797379
Energy: 0.6251590588903523
Energy: 0.5837575239823295
Energy: 0.6251590588890565
Energy: 0.5837575239797379
Energy: 0.6251590588877608
Energy: 0.583112254953122
Energy: 0.6558628247981296
Energy: 0.5831122549570095
Energy: 0.655862824796186
Energy: 0.5831122549583054
Energy: 0.6558628247974817
Energy: 0.5831122549557136
Energy: 0.5803282077276634
Energy: 0.5905496055128058
Energy: 0.5803282077263675
Energy: 0.5905496055141016
Energy: 0.580328207723128
Energy: 0.59054960551151
Energy: 0.5803282077263675
Energy: 0.5623349218570894
Energy: 0.5906082885601973
Energy: 0.5623349218570894
Energy: 0.5906082885576056
Energy: 0.5623349218564415
Energy: 0.5906082885582535
Energy: 0.5623349218570894
Energy: 0.673724677186877
Energy: 0.6453725428557605
Energy: 0.6737246771875249
Energy: 0.6453725428544647
Energy: 0.6737246771881729
Energy: 0.6453725428570564
Energy: 0.6737246771888207
Energy: 0.6372434626997531
Energy: 0.6241053543579788
Energy: 0.637243462700401
Energy: 0.624105354355387
Energy: 0.6372434626984572
Energy: 0.6241053543540912
Energy: 0.6372434626971614
Energy: 0.6078344916004004
Energy: 0.5798235392284278
Energy: 0.6078344916010483
Energy: 0.5798235392277798
Energy: 0.6078344916010483
Energy: 0.5798235392258362
Energy: 0.6078344916023442
Energy: 0.5948756220216388
Energy: 0.6513797930912641
Energy: 0.5948756220248783
Energy: 0.6513797930893204
Energy: 0.5948756220222867
Energy: 0.6513797930912641
Energy: 0.594875622020343
Energy: 0.5857125084646202
Energy: 0.6201224009735272
Energy: 0.5857125084659159
Energy: 0.6201224009780626
Energy: 0.5857125084685076
Energy: 0.6201224009754709
Energy: 0.5857125084639723
Energy: 0.6244779155745245
Energy: 0.6059180890779338
Energy: 0.6244779155706369
Energy: 0.6059180890772857
Energy: 0.6244779155719328
Energy: 0.6059180890805252
Energy: 0.6244779155751723
Energy: 0.5758693973940519
Energy: 0.5644149327263392
Energy: 0.5758693973946997
Energy: 0.5644149327269871
Energy: 0.5758693973921082
Energy: 0.5644149327269871
Energy: 0.5758693973895165
Energy: 0.6195424635867953
Energy: 0.6588357630478593
Energy: 0.6195424635861474
Energy: 0.6588357630478593
Energy: 0.6195424635835559
Energy: 0.6588357630504214
Energy: 0.6195424635867953
Energy: 0.6639804566933007
Energy: 0.665645252451894
Energy: 0.6717021043056948
Energy: 0.665645252451894
Energy: 0.66113815504767
Energy: 0.6656452524525419
Energy: 0.6717021043037511
Energy: 0.6174211801723222
Energy: 0.6721796191984539
Energy: 0.6174211801762097
Energy: 0.6721796192010456
Energy: 0.6174211801762097
Energy: 0.6721796192023415
Energy: 0.6174211801736181
Energy: 0.597080563457771
Energy: 0.5799078334489465
Energy: 0.597080563457771
Energy: 0.5799078334476507
Energy: 0.5970805634564752
Energy: 0.5799078334476507
Energy: 0.5970805634558273
Energy: 0.6200197819552611
Energy: 0.5858725464287519
Energy: 0.6200197819572049
Energy: 0.5858725464306954
Energy: 0.6200197819572049
Energy: 0.5858725464287519
Energy: 0.6200197819572049
Energy: 0.6078704167141227
Energy: 0.6362028122850539
Energy: 0.6068094673940938
Energy: 0.6362028122863499
Energy: 0.6068094673966854
Energy: 0.6362028122850539
Energy: 0.611120205870805
Energy: 0.5670943706298202
Energy: 0.6272804519643094
Energy: 0.5670943706304681
Energy: 0.6272804519662531
Energy: 0.5670943706278765
Energy: 0.6272804519630136
Energy: 0.5670943706278765
Energy: 0.5957942648587067
Energy: 0.5795981208093727
Energy: 0.5957942648600024
Energy: 0.5795981208100206
Energy: 0.5957942648606503
Energy: 0.5795981208087247
Energy: 0.5957942648600024
Energy: 0.6372136599865466
Energy: 0.6325579181170656
Energy: 0.6372136599858986
Energy: 0.6325579181203053
Energy: 0.6372136599846029
Energy: 0.6325579181190094
Energy: 0.6372136599858986
Energy: 0.5825555296547887
Energy: 0.6138003537228255
Energy: 0.5913355425314378
Energy: 0.6138003537221776
Energy: 0.5913355425294939
Energy: 0.6138003537215296
Energy: 0.5913355425301419
Energy: 0.5721359711286024
Energy: 0.5756237872090373
Energy: 0.5721359711292503
Energy: 0.5756237872077413
Energy: 0.5721359711279544
Energy: 0.5756237872090373
Energy: 0.5721359711292503

minimum gb energy = 0.555610637831902 eV
minimum distance =  2.26712467068039 Angstroms
sigma value = 39


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

Energy: 0.6313870710095153
Energy: 0.5828787759628068
Energy: 0.6313870710118094
Energy: 0.5828787759628068
Energy: 0.6313870710095153
Energy: 0.5828787759635714
Energy: 0.6313870710110447
Energy: 0.578728639807324
Energy: 0.5002043491047637
Energy: 0.5787286398065594
Energy: 0.5002043491039991
Energy: 0.5787286398080888
Energy: 0.5002043491070578
Energy: 0.5787286398057947
Energy: 0.5323955973577518
Energy: 0.5842867785095025
Energy: 0.5323955973546932
Energy: 0.5842867785102672
Energy: 0.5323955973577518
Energy: 0.5842867785087379
Energy: 0.5323955973539285
Energy: 0.5431051570532449
Energy: 0.5103844754091051
Energy: 0.5431051570509509
Energy: 0.510384475413693
Energy: 0.5431051570532449
Energy: 0.5103844754091051
Energy: 0.5431051570509509
Energy: 0.5498992530295326
Energy: 0.5377639368726405
Energy: 0.5498992530333559
Energy: 0.5377639368741698
Energy: 0.5498992530295326
Energy: 0.5377639368718757
Energy: 0.5498992530356499
Energy: 0.5713129577387126
Energy: 0.5298925756422944
Energy: 0.5713129577394773
Energy: 0.5298925756369417
Energy: 0.5713129577371833
Energy: 0.529892575640765
Energy: 0.571312957737948
Energy: 0.5266006711855665
Energy: 0.5568815385554851
Energy: 0.5266006711886253
Energy: 0.5568815385524263
Energy: 0.5266006711840373
Energy: 0.5568815385539556
Energy: 0.5266006711878606
Energy: 0.5636012843478483
Energy: 0.546994063254198
Energy: 0.5636012843470836
Energy: 0.5469940632557273
Energy: 0.5636012843470836
Energy: 0.546994063254198
Energy: 0.563601284346319
Energy: 0.5238617841376039
Energy: 0.49970663432285783
Energy: 0.5238617841414273
Energy: 0.4997066343251519
Energy: 0.5238617841391333
Energy: 0.49970663432285783
Energy: 0.5238617841437212
Energy: 0.525399551259997
Energy: 0.5835639055495141
Energy: 0.5253995512554092
Energy: 0.5835639055487495
Energy: 0.5253995512592324
Energy: 0.5835639055464555
Energy: 0.5253995512577031
Energy: 0.5911444960558512
Energy: 0.5901763379466237
Energy: 0.5911444960550866
Energy: 0.5901763379519763
Energy: 0.5911444960543221
Energy: 0.5901763379466237
Energy: 0.5911444960504987
Energy: 0.5616360311793871
Energy: 0.5473732857044489
Energy: 0.5616360311793871
Energy: 0.5473732857059782
Energy: 0.5616360311786224
Energy: 0.5473732857044489
Energy: 0.5616360311793871
Energy: 0.5232058956746991
Energy: 0.5416895314879607
Energy: 0.5232058956769932
Energy: 0.5416895314925487
Energy: 0.5232058956754638
Energy: 0.5416895314879607
Energy: 0.5232058956769932
Energy: 0.5235068594056781
Energy: 0.5694508056564183
Energy: 0.5235068594033842
Energy: 0.5694508056610063
Energy: 0.5235068594041489
Energy: 0.5694508056579475
Energy: 0.5235068594033842
Energy: 0.582706090139685
Energy: 0.6393323842786216
Energy: 0.5827060901419789
Energy: 0.6393323842763278
Energy: 0.5827060901450376
Energy: 0.6393323842786216
Energy: 0.5827060901412143
Energy: 0.5234571717237685
Energy: 0.5694166383270635
Energy: 0.5234571717191805
Energy: 0.5694166383262987
Energy: 0.5234571717245332
Energy: 0.5694166383262987
Energy: 0.5234571717184159
Energy: 0.5231915291135909
Energy: 0.5416255521623229
Energy: 0.5231915291143555
Energy: 0.5416255521646168
Energy: 0.5231915291128262
Energy: 0.5416255521615583
Energy: 0.5231915291143555
Energy: 0.5613350633458226
Energy: 0.5473942556270708
Energy: 0.5613350633458226
Energy: 0.5473942556247768
Energy: 0.5613350633465872
Energy: 0.5473942556263063
Energy: 0.5613350633465872
Energy: 0.568211177523037
Energy: 0.5901357591572846
Energy: 0.5682111775184491
Energy: 0.5901357591572846
Energy: 0.568211177523037
Energy: 0.5901357591557553
Energy: 0.5682111775184491
Energy: 0.5250696916393125
Energy: 0.5834850634760446
Energy: 0.5250696916400771
Energy: 0.5834850634821619
Energy: 0.5250696916400771
Energy: 0.5834850634752798
Energy: 0.5250696916400771
Energy: 0.5236369098629619
Energy: 0.49974237570260593
Energy: 0.5236369098644912
Energy: 0.49974237569954727
Energy: 0.5236369098629619
Energy: 0.4997423757018412
Energy: 0.5236369098644912
Energy: 0.563810376667481
Energy: 0.5468456689990855
Energy: 0.5638103766682456
Energy: 0.546845668997556
Energy: 0.563810376667481
Energy: 0.5468456689983209
Energy: 0.5638103766690102
Energy: 0.526370195528855
Energy: 0.5568812303913343
Energy: 0.5263701955273256
Energy: 0.5568812309859981
Energy: 0.5263701955280904
Energy: 0.5568812310731348
Energy: 0.5263701955273256
Energy: 0.5713554261703141
Energy: 0.5297980800162456
Energy: 0.5713554261703141
Energy: 0.5297980800185398
Energy: 0.5713554261703141
Energy: 0.5297980800162456
Energy: 0.5713554261710787
Energy: 0.5507626866413892
Energy: 0.5373866786365438
Energy: 0.5507626866421538
Energy: 0.5373866786411317
Energy: 0.5507626866421538
Energy: 0.5373866786380731
Energy: 0.5507626866444479
Energy: 0.5432168219339649
Energy: 0.5101160948499588
Energy: 0.5432168219347295
Energy: 0.5101160948530175
Energy: 0.5432168219339649
Energy: 0.5101160948507235
Energy: 0.5432168219347295
Energy: 0.532277651327136
Energy: 0.5845324692598125
Energy: 0.5322776513301946
Energy: 0.5845324692621066
Energy: 0.5322776513279006
Energy: 0.5845324692598125
Energy: 0.5322776513301946
Energy: 0.5786903035365156
Energy: 0.5000852734528342
Energy: 0.5786903035342216
Energy: 0.5000852734566574
Energy: 0.5786903035372801
Energy: 0.5000852734513048
Energy: 0.5786903035349862
Energy: 0.6313870710041628
Energy: 0.5828787759658655
Energy: 0.6313870710064569
Energy: 0.5828787759658655
Energy: 0.6313870710049274
Energy: 0.5828787759658655
Energy: 0.6313870710064569
Energy: 0.5787286398080888
Energy: 0.5002043491047637
Energy: 0.5787286398080888
Energy: 0.5002043491055286
Energy: 0.5787286398080888
Energy: 0.5002043491085871
Energy: 0.578728639807324

minimum gb energy = 0.49970663432285783 eV
minimum distance =  2.28848534017631 Angstroms
sigma value = 21


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

Energy: 0.5755021297546478
Energy: 0.6154378382801362
Energy: 0.5755021297500065
Energy: 0.615437838279208
Energy: 0.5755021297500065
Energy: 0.6154378382801362
Energy: 0.575502129751863
Energy: 0.611875584972711
Energy: 0.5512453872260731
Energy: 0.611875584972711
Energy: 0.5512453872251448
Energy: 0.611875584972711
Energy: 0.5512453872232883
Energy: 0.6118755849736394
Energy: 0.5963872006634582
Energy: 0.6549499587093589
Energy: 0.5963872006643864
Energy: 0.6549499587075024
Energy: 0.59638720066253
Energy: 0.6549499587084306
Energy: 0.5963872006643864
Energy: 0.5945763675629243
Energy: 0.5424268625317784
Energy: 0.5945763675629243
Energy: 0.5424268625317784
Energy: 0.5945763675638526
Energy: 0.5424268625308503
Energy: 0.5945763675647809
Energy: 0.5029414737277906
Energy: 0.5205955565151587
Energy: 0.5029414737268623
Energy: 0.5205955565151587
Energy: 0.5029414737268623
Energy: 0.5205955565160869
Energy: 0.5029414737268623
Energy: 0.5039777300261301
Energy: 0.5415309028794724
Energy: 0.5039777300307714
Energy: 0.5415309028804006
Energy: 0.5039777300298431
Energy: 0.5415309028813289
Energy: 0.5039777300298431
Energy: 0.5137202079145415
Energy: 0.569057375425998
Energy: 0.5137202079136132
Energy: 0.5690573754250696
Energy: 0.5137202079145415
Energy: 0.569057375425998
Energy: 0.5137202079126849
Energy: 0.5412689160807747
Energy: 0.560893183944512
Energy: 0.5412689160798463
Energy: 0.560893183944512
Energy: 0.5412689160807747
Energy: 0.5608931839435838
Energy: 0.5412689160807747
Energy: 0.5413084968004159
Energy: 0.5590021462775724
Energy: 0.5413084967809224
Energy: 0.5590021462794289
Energy: 0.5413084967809224
Energy: 0.5590021462785005
Energy: 0.5413084967809224
Energy: 0.5206691768407053
Energy: 0.6087849684470232
Energy: 0.5206691768434902
Energy: 0.6087849684544493
Energy: 0.5206691768407053
Energy: 0.6087849682642396
Energy: 0.5206691768397772
Energy: 0.5038048770434953
Energy: 0.5495461641456744
Energy: 0.5038048770453518
Energy: 0.5495461641456744
Energy: 0.5038048770434953
Energy: 0.5495461641447461
Energy: 0.5038048770444236
Energy: 0.49568513987679996
Energy: 0.5601003397237164
Energy: 0.49568513987494345
Energy: 0.5601003397237164
Energy: 0.49568513987679996
Energy: 0.5601003397237164
Energy: 0.49568513987494345
Energy: 0.534992517634935
Energy: 0.532207508077866
Energy: 0.5349925176340069
Energy: 0.5322075080769378
Energy: 0.5349925176358634
Energy: 0.532207508077866
Energy: 0.5349925176340069
Energy: 0.6343023976066616
Energy: 0.6541441457491751
Energy: 0.6343023976066616
Energy: 0.6541441457491751
Energy: 0.6343023976075898
Energy: 0.6541441457491751
Energy: 0.6343023976075898
Energy: 0.5669390326979575
Energy: 0.5717259221373631
Energy: 0.5669390327007424
Energy: 0.5717259221392196
Energy: 0.566939032698886
Energy: 0.5717259221382914
Energy: 0.566939032698886
Energy: 0.5764059484613792
Energy: 0.6224794448480998
Energy: 0.5764059484623074
Energy: 0.6224794448480998
Energy: 0.5764059484613792
Energy: 0.6224794448480998
Energy: 0.5764059484613792
Energy: 0.5988281050112441
Energy: 0.5379748505319468
Energy: 0.598828105014957
Energy: 0.5379748505338032
Energy: 0.5988281050140288
Energy: 0.5379748505310186
Energy: 0.5988281050131006
Energy: 0.6117837078562629
Energy: 0.5972677405952576
Energy: 0.6117837078544065
Energy: 0.5972677405906163
Energy: 0.6117837078562629
Energy: 0.597267740593401
Energy: 0.6117837078544065
Energy: 0.5890876315279902
Energy: 0.5820069077244944
Energy: 0.5890876315289185
Energy: 0.5820069077254225
Energy: 0.5890876315289185
Energy: 0.5820069077244944
Energy: 0.5890876315289185
Energy: 0.49527581448708724
Energy: 0.5339123550357888
Energy: 0.4952758144880155
Energy: 0.5339123550367172
Energy: 0.4952758144880155
Energy: 0.5339123550357888
Energy: 0.4952758144880155
Energy: 0.5511784091726208
Energy: 0.5494251588326112
Energy: 0.5511784091754057
Energy: 0.5494251588307547
Energy: 0.5511784091744775
Energy: 0.5494251588344677
Energy: 0.551178409176334
Energy: 0.5067339271681787
Energy: 0.6291459751724392
Energy: 0.5067339271672504
Energy: 0.6291459751705827
Energy: 0.5067339271681787
Energy: 0.6291459751724392
Energy: 0.5067339271672504
Energy: 0.5481832185511699
Energy: 0.581156129661453
Energy: 0.5481832185511699
Energy: 0.581156129661453
Energy: 0.5481832185511699
Energy: 0.5811561296605249
Energy: 0.5481832185511699
Energy: 0.5633457001253399
Energy: 0.5204914976518155
Energy: 0.5633457001271964
Energy: 0.5204914976527437
Energy: 0.5633457001262682
Energy: 0.5204914976564569
Energy: 0.5633457001262682
Energy: 0.5281460736576905
Energy: 0.6104986718138778
Energy: 0.5281460736586188
Energy: 0.6104986718138778
Energy: 0.5281460736576905
Energy: 0.6104986718138778
Energy: 0.5281460736586188

minimum gb energy = 0.49527581448708724 eV
minimum distance =  2.2925033906402 Angstroms
sigma value = 113


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

Energy: 0.6780368395855296
Energy: 0.6839211349119013
Energy: 0.678036839579831
Energy: 0.6839211349124193
Energy: 0.6780368395844935
Energy: 0.6839211349113833
Energy: 0.6780368395808671
Energy: 0.573374619991739
Energy: 0.5652101587283634
Energy: 0.5733746199896669
Energy: 0.5652101587299175
Energy: 0.573374619992257
Energy: 0.5652101587257731
Energy: 0.5733746199865585
Energy: 0.6095668844817328
Energy: 0.5994114891083828
Energy: 0.6095668844812148
Energy: 0.5994114890980214
Energy: 0.6095668844791426
Energy: 0.5994114891052744
Energy: 0.6095668844812148
Energy: 0.5654840068135066
Energy: 0.553868445338315
Energy: 0.565484006817086
Energy: 0.5538684453346887
Energy: 0.5654840068109163
Energy: 0.5538684453346887
Energy: 0.565484006817086
Energy: 0.6018212479330483
Energy: 0.6055186904060315
Energy: 0.601821247938747
Energy: 0.6055186904024049
Energy: 0.6018212479340844
Energy: 0.6055186904049953
Energy: 0.601821247938747
Energy: 0.531268460710262
Energy: 0.5433731976175854
Energy: 0.531268460710262
Energy: 0.5433731976165492
Energy: 0.5312684607055994
Energy: 0.5433731976186215
Energy: 0.5312684607123344
Energy: 0.5719827931168752
Energy: 0.5723523864091338
Energy: 0.5719827931194655
Energy: 0.5723523864137964
Energy: 0.5719827931173932
Energy: 0.5723523864060254
Energy: 0.5719827931194655
Energy: 0.5515246702911074
Energy: 0.5306163766366294
Energy: 0.5515246702999145
Energy: 0.530616376640256
Energy: 0.5515246702895532
Energy: 0.5306163766361114
Energy: 0.551524670294734
Energy: 0.5327260881259903
Energy: 0.5813197483302494
Energy: 0.5327260881306529
Energy: 0.58131974833543
Energy: 0.5327260881249541
Energy: 0.5813197483312855
Energy: 0.5327260881249541
Energy: 0.5286239930342206
Energy: 0.5226938009228519
Energy: 0.5286239930419915
Energy: 0.5226938009264784
Energy: 0.5286239930388831
Energy: 0.5226938009244061
Energy: 0.5286239930435458
Energy: 0.5490270133419187
Energy: 0.5463858893391069
Energy: 0.5490270133424369
Energy: 0.5463858893452765
Energy: 0.5490270133419187
Energy: 0.5463858893421683
Energy: 0.5490270133429548
Energy: 0.5623498386334171
Energy: 0.5330354111372329
Energy: 0.5623498386334171
Energy: 0.5330354111393051
Energy: 0.562349838632899
Energy: 0.5330354111372329
Energy: 0.5623498386339352
Energy: 0.5500488171877331
Energy: 0.5769307286827842
Energy: 0.5500488171913596
Energy: 0.57693072868123
Energy: 0.5500488171908415
Energy: 0.576930728682266
Energy: 0.5500488171923956
Energy: 0.576847030828827
Energy: 0.5574391046754239
Energy: 0.576847030828309
Energy: 0.5574391046774961
Energy: 0.576847030828827
Energy: 0.5574391046749058
Energy: 0.576847030828309
Energy: 0.5559880312052231
Energy: 0.5470217280270527
Energy: 0.5559880312036689
Energy: 0.5470217280265347
Energy: 0.5559880312057411
Energy: 0.5470217280280889
Energy: 0.5559880312026327
Energy: 0.5274117326662855
Energy: 0.5762819374668249
Energy: 0.5274117326683577
Energy: 0.5762819374699333
Energy: 0.5274117326647313
Energy: 0.5762819374668249
Energy: 0.5274117326688758
Energy: 0.5234682441846801
Energy: 0.5312232520477307
Energy: 0.5234682441883065
Energy: 0.5312232520487669
Energy: 0.5234682441898607
Energy: 0.5312232520472127
Energy: 0.523468244192451
Energy: 0.5500113325021173
Energy: 0.566847572245928
Energy: 0.5500113324979727
Energy: 0.566847572245928
Energy: 0.5500113325026353
Energy: 0.5668475722464461
Energy: 0.5500113324969367
Energy: 0.527422122136748
Energy: 0.5274755514686456
Energy: 0.5274221221408926
Energy: 0.527475551473308
Energy: 0.5274221221346758
Energy: 0.5274755514676094
Energy: 0.5274221221434829
Energy: 0.5459214838935098
Energy: 0.5746829665647791
Energy: 0.545921483887811
Energy: 0.5746829665678874
Energy: 0.5459214838883291
Energy: 0.574682966564261
Energy: 0.5459214838862568
Energy: 0.5576913494308778
Energy: 0.5242487367328398
Energy: 0.5576913494293236
Energy: 0.5242487367380204
Energy: 0.5576913494293236
Energy: 0.5242487367312856
Energy: 0.5576913494277694
Energy: 0.5574203373458121
Energy: 0.5285121024267825
Energy: 0.5574203373484025
Energy: 0.5285121024262643
Energy: 0.557420337345294
Energy: 0.5285121024262643
Energy: 0.5574203373494385
Energy: 0.5314187353673742
Energy: 0.5206017259022232
Energy: 0.5314187353689284
Energy: 0.5206017259089579
Energy: 0.531418735366338
Energy: 0.5206017259017052
Energy: 0.5314187353601212
Energy: 0.582371305184728
Energy: 0.6554429134068578
Energy: 0.5823713051831739
Energy: 0.6554429134063398
Energy: 0.58237130518421
Energy: 0.6554429134068578
Energy: 0.5823713051816197
Energy: 0.5460109936648601
Energy: 0.5521356118160815
Energy: 0.5460109936684865
Energy: 0.5521356118191898
Energy: 0.5460109936648601
Energy: 0.5521356118243704
Energy: 0.5460109936690045
Energy: 0.6156893549667127
Energy: 0.6100091365003485
Energy: 0.6156893549713753
Energy: 0.6100091364977582
Energy: 0.6156893549739185
Energy: 0.6100091364977582
Energy: 0.6156893549723643
Energy: 0.5866507839412818
Energy: 0.5827340338001957
Energy: 0.5866507839474985
Energy: 0.5827340337965694
Energy: 0.5866507839474985
Energy: 0.5827340337991596
Energy: 0.586650783942836
Energy: 0.5872087864007401
Energy: 0.6536052986751889
Energy: 0.5872087864100652
Energy: 0.6536052986575747
Energy: 0.5872087864095472
Energy: 0.6536052986648275
Energy: 0.587208786416235
Energy: 0.5848988877672876
Energy: 0.557717827693866
Energy: 0.5848988877657334
Energy: 0.5577178276881674
Energy: 0.5848988877678057
Energy: 0.5577178276959383
Energy: 0.5848988877709141
Energy: 0.593550189595827
Energy: 0.6098944178989036
Energy: 0.593550189588056
Energy: 0.6098944178989036
Energy: 0.5935501895999715
Energy: 0.6098944178999398
Energy: 0.5935501895916824
Energy: 0.5542604631551608
Energy: 0.5703800272984076
Energy: 0.5542604631473899
Energy: 0.5703800272958173
Energy: 0.5542604631510162
Energy: 0.5703800272989257
Energy: 0.5542604631458357
Energy: 0.5829914737348857
Energy: 0.6204910583677246
Energy: 0.5829914737442108
Energy: 0.6204910583682426
Energy: 0.5829914737442108
Energy: 0.6204910583672064
Energy: 0.5829914737462831
Energy: 0.5475432632963186
Energy: 0.5382941413962171
Energy: 0.5475432632921741
Energy: 0.5382941414003616
Energy: 0.5475432632926922
Energy: 0.5382941413972533
Energy: 0.5475432632926922
Energy: 0.5669957751960382
Energy: 0.5902674518147913
Energy: 0.56699577519552
Energy: 0.590267451819972
Energy: 0.56699577519552
Energy: 0.5902674518158275
Energy: 0.56699577519552
Energy: 0.5554999379939547
Energy: 0.5351945033867921
Energy: 0.5554999379939547
Energy: 0.5351945033862741
Energy: 0.5554999379965451
Energy: 0.5351945033873101
Energy: 0.5554999379934367
Energy: 0.5451771055978674
Energy: 0.5732760999330827
Energy: 0.5451771056040842
Energy: 0.5732760999325646
Energy: 0.5451771056056383
Energy: 0.5732760999325646
Energy: 0.5451771056103009
Energy: 0.5502840353145868
Energy: 0.5295361439850456
Energy: 0.5502840353187313
Energy: 0.5295361439772746
Energy: 0.5502840353171771
Energy: 0.5295361439783106
Energy: 0.5502840353176952
Energy: 0.552123258201424
Energy: 0.5461792592376417
Energy: 0.5521232582107491
Energy: 0.5461792592350514
Energy: 0.5521232582009059
Energy: 0.5461792592371236
Energy: 0.5521232582102311
Energy: 0.5566648312729227
Energy: 0.4938804326821047
Energy: 0.5566648312656697
Energy: 0.49388043267951437
Energy: 0.5566648312734407
Energy: 0.493880432676924
Energy: 0.5566648312687781
Energy: 0.5227203592890757
Energy: 0.5696304596054559
Energy: 0.5227203592849311
Energy: 0.5696304596064921
Energy: 0.5227203592895937
Energy: 0.5696304596054559
Energy: 0.5227203592838949
Energy: 0.5500677192702832
Energy: 0.5727513492228862
Energy: 0.5500677192697652
Energy: 0.5727513492208139
Energy: 0.5500677192713194
Energy: 0.5727513492228862
Energy: 0.550067719269247
Energy: 0.5384297988613475
Energy: 0.5481776105196301
Energy: 0.5384297988613475
Energy: 0.5481776105165218
Energy: 0.5384297988639378
Energy: 0.5481776105196301
Energy: 0.538429798865492
Energy: 0.5021277998698477
Energy: 0.580022067729818
Energy: 0.5021277998667393
Energy: 0.5800220677272278
Energy: 0.5021277998703657
Energy: 0.580022067729818
Energy: 0.5021277998693295
Energy: 0.5012250328766055
Energy: 0.5260317608977659
Energy: 0.5012250328760874
Energy: 0.5260317609019105
Energy: 0.5012250328760874
Energy: 0.5260317608962117
Energy: 0.5012250328745333
Energy: 0.5509995114403347
Energy: 0.542728025308498
Energy: 0.5509995114361902
Energy: 0.5427280253079799
Energy: 0.5509995114403347
Energy: 0.5427280253090161
Energy: 0.5509995114361902

minimum gb energy = 0.493880432676924 eV
minimum distance =  2.27930576010336 Angstroms
sigma value = 365


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

Energy: 0.21872036082756033
Energy: 0.19472301622655977
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.21872036082756033
Energy: 0.19472301622655977
Energy: 0.2187203608263923
Energy: 0.8704719380524985
Energy: 0.5220328208686739
Energy: 0.8704719377687973
Energy: 0.5220328208686739
Energy: 0.8704719388102116
Energy: 0.5220328208686739
Energy: 0.8704719376041832
Energy: 0.21872036082405621
Energy: 0.19472301622422367
Energy: 0.21872036082522425
Energy: 0.1947230162253917
Energy: 0.21872036082405621
Energy: 0.19472301622422367
Energy: 0.21872036082522425
Energy: 1.2433474741237043
Energy: 0.5220328208686739
Energy: 1.2433474741307127
Energy: 0.5220328208686739
Energy: 1.243347474116696
Energy: 0.5220328208686739
Energy: 1.2433474741330486
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.21872036082756033
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.21872036082756033
Energy: 0.8704719378808761
Energy: 0.5220328208698419
Energy: 0.8704719382824961
Energy: 0.5220328208686739
Energy: 0.8704719379357474
Energy: 0.5220328208698419
Energy: 0.8704719374500549
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.21872036082405621
Energy: 0.1947230162253917
Energy: 0.21872036082522425
Energy: 0.1947230162253917
Energy: 0.21872036082405621
Energy: 0.8659476830902143
Energy: 0.5220328208686739
Energy: 0.8659477596948526
Energy: 0.5220328208698419
Energy: 0.8659477376800491
Energy: 0.5220328208686739
Energy: 0.8659476877054345
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.8704719392982402
Energy: 0.5220328208686739
Energy: 0.8704719392865597
Energy: 0.5220328208686739
Energy: 0.8704719393122567
Energy: 0.5220328208686739
Energy: 0.8704719379976269
Energy: 0.21872036082405621
Energy: 0.1947230162253917
Energy: 0.21872036082522425
Energy: 0.19472301622422367
Energy: 0.21872036082405621
Energy: 0.1947230162253917
Energy: 0.21872036082522425
Energy: 0.8659476560329002
Energy: 0.5220328208698419
Energy: 0.8659477320537572
Energy: 0.5220328208675059
Energy: 0.8659478233598317
Energy: 0.5220328208686739
Energy: 0.8659477135415355
Energy: 0.21872036082756033
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.19472301622655977
Energy: 0.21872036082756033
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.8659477534696213
Energy: 0.5220328208686739
Energy: 0.8659477083694256
Energy: 0.5220328208698419
Energy: 0.8659477628670118
Energy: 0.5220328208686739
Energy: 0.8659477550831365
Energy: 0.21872036082405621
Energy: 0.19472301622422367
Energy: 0.21872036082522425
Energy: 0.1947230162253917
Energy: 0.21872036082405621
Energy: 0.1947230162253917
Energy: 0.21872036082522425
Energy: 0.8659477644630065
Energy: 0.5220328208686739
Energy: 0.8659477892401461
Energy: 0.5220328208686739
Energy: 0.8659477575162446
Energy: 0.5220328208686739
Energy: 0.865947806684115
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.1947230162253917
Energy: 0.2187203608263923
Energy: 0.8659477666065732
Energy: 0.5220328208698419
Energy: 0.8659477714167767
Energy: 0.5220328208686739
Energy: 0.8659477853499605
Energy: 0.5220328208698419
Energy: 0.8659477487761689
Energy: 0.21872036082522425
Energy: 0.1947230162253917
Energy: 0.21872036082405621
Energy: 0.1947230162253917
Energy: 0.21872036082522425
Energy: 0.1947230162253917
Energy: 0.21872036082405621
Energy: 0.8659478522641629
Energy: 0.5220328208686739
Energy: 0.8659479073326556
Energy: 0.5220328208698419
Energy: 0.8659478486039751
Energy: 0.5220328208686739
Energy: 0.865948020993274

minimum gb energy = 0.19472301622422367 eV
minimum distance =  2.28294875316792 Angstroms
sigma value = 23