Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.430137217044831
cohesive_energy=3.990966885422167
mass=55.845
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: 0.01943601330164041
Energy: 0.31937483302059805
Energy: 0.3193748330222036
Energy: 0.019436013303245923
Energy: 0.31937483302059805
Energy: 0.3193748330238091
Energy: 0.01943601330485144
Energy: 0.31937483301421254
Energy: 0.31937483301742353
Energy: 0.01943601330485144
Energy: 0.20932417552443602
Energy: 0.020317716992537004
Energy: 0.5947666386857903
Energy: 0.20932417552604154
Energy: 0.02031771699574804
Energy: 0.5947666386793682
Energy: 0.20932417552122498
Energy: 0.02031771699574804
Energy: 0.5947666386825794
Energy: 0.20932417551961946
Energy: 1.761978041018837
Energy: 0.43006285981244663
Energy: 0.4300628598108411
Energy: 1.761978041022048
Energy: 0.43006285981244663
Energy: 0.4300628598108411
Energy: 1.761978041022048
Energy: 0.43006285981244663
Energy: 0.4300628598108411
Energy: 1.761978041022048
Energy: 0.2093241755228305
Energy: 0.5947666386825794
Energy: 0.02031771700056459
Energy: 0.20932417552604154
Energy: 0.5947666386841848
Energy: 0.02031771699895907
Energy: 0.20932417552443602
Energy: 0.5947666386809737
Energy: 0.020317716997353553
Energy: 0.20932417552604154
Energy: 0.01943601330485144
Energy: 0.31937483303665326
Energy: 0.31937483303023123
Energy: 0.019436013306456956
Energy: 0.31937483303023123
Energy: 0.3193748330286256
Energy: 0.01943601330485144
Energy: 0.31937483302702013
Energy: 0.31937483302059805
Energy: 0.019436013306456956
Energy: 0.20932417552122498
Energy: 0.020317716992537004
Energy: 0.5947666386825794
Energy: 0.2093241755228305
Energy: 0.02031771699414252
Energy: 0.5947666386809737
Energy: 0.2093241755228305
Energy: 0.02031771699574804
Energy: 0.5947666386809737
Energy: 0.20932417552122498
Energy: 1.761978041018837
Energy: 0.43006285981244663
Energy: 0.4300628598108411
Energy: 1.761978041018837
Energy: 0.4300628598108411
Energy: 0.4300628598108411
Energy: 1.761978041018837
Energy: 0.43006285981244663
Energy: 0.4300628598108411
Energy: 1.7619780410204426

minimum gb energy = 0.01943601330164041 eV
minimum distance =  2.24555670999357 Angstroms
sigma value = 3


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

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Energy: 0.36161695882644407
Energy: 0.3616164381530111
Energy: 0.4757172480861398
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Energy: 0.4500854926033017
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Energy: 0.5334065536672943
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Energy: 0.43559042641784
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Energy: 0.3616164381530111
Energy: 0.49930081399302545
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Energy: 0.36161643814986494
Energy: 0.5074152622030178
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Energy: 0.3616164381427861
Energy: 0.4993008139973157
Energy: 0.5143302457142412
Energy: 0.500202787520722
Energy: 0.5146927024223179
Energy: 0.5143302457063759
Energy: 0.5002027875203645
Energy: 0.514692702423462
Energy: 0.5143302457043737
Energy: 0.5002027875180048
Energy: 0.5146927024183853
Energy: 0.5143302457118816
Energy: 0.6354420941371148
Energy: 0.5121898098223129
Energy: 0.5637662504914431
Energy: 0.6374745951286884
Energy: 0.5121898098325379
Energy: 0.5637662505091046
Energy: 0.6354420941446227
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Energy: 0.5637662505016682
Energy: 0.6374745951357673
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Energy: 0.45496875544731014
Energy: 0.37595337639261445
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Energy: 0.45496875545167187
Energy: 0.3759533763996933
Energy: 0.37129941818677936
Energy: 0.4549687554508853
Energy: 0.3759533763996933
Energy: 0.3712994181812736

minimum gb energy = 0.3614804264350529 eV
minimum distance =  2.26515498998504 Angstroms
sigma value = 75


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

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Energy: 0.329719348758886
Energy: 0.3149293562113589
Energy: 0.3526616007711293
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minimum gb energy = 0.2647332824281214 eV
minimum distance =  2.24717292638953 Angstroms
sigma value = 105


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

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Energy: 0.43157008301992494
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Energy: 0.5130147633366945
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Energy: 0.49409900323792294
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Energy: 0.5035768496259516
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Energy: 0.5060369842397261
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Energy: 0.5035768496302813
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Energy: 0.48097910131865923
Energy: 0.5035768496237867
Energy: 0.46550275560356535
Energy: 0.5476078963058031
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Energy: 0.46550275560356535
Energy: 0.5476078963014733
Energy: 0.4523750722141219
Energy: 0.46550275560789506
Energy: 0.5476078962971436
Energy: 0.45237507221845163
Energy: 0.46550275561005994
Energy: 0.49576555282812546
Energy: 0.4562573074783005
Energy: 0.4877876114595287
Energy: 0.4957655528346201
Energy: 0.4562191547216054
Energy: 0.48778761145086924
Energy: 0.49576555276321854
Energy: 0.45625730748046545
Energy: 0.4877876114573638
Energy: 0.4957655527653833
Energy: 0.5772826414414501
Energy: 0.502813359387152
Energy: 0.4759717387486765
Energy: 0.5772826414327905
Energy: 0.5012916243461385
Energy: 0.47597173873785215
Energy: 0.5772826414349554
Energy: 0.5028133593784925
Energy: 0.47597173874218185
Energy: 0.5772826414414501
Energy: 0.5047296386681466
Energy: 0.5322444418252127
Energy: 0.4180501076479654
Energy: 0.5047296386551573
Energy: 0.5322444418273776
Energy: 0.41805010763281125
Energy: 0.5047296386681466
Energy: 0.5322444418295426
Energy: 0.41805010764363565
Energy: 0.5047296386703114
Energy: 0.518503165562167
Energy: 0.5183716194324792
Energy: 0.5102208633264671
Energy: 0.5185031655686616
Energy: 0.5127006661633855
Energy: 0.5102208633286318
Energy: 0.5185031655751562
Energy: 0.5183716194281494
Energy: 0.5102208633221372
Energy: 0.518503165562167
Energy: 0.5092458638315389
Energy: 0.5020072120318901
Energy: 0.5093991671886805
Energy: 0.5092458638337036
Energy: 0.5019533877747059
Energy: 0.509399167190806
Energy: 0.509245863829374
Energy: 0.5020072120232306
Energy: 0.5093991671821858
Energy: 0.5092458638315389
Energy: 0.438364505264295
Energy: 0.488830497840069
Energy: 0.5184047266956763
Energy: 0.438364505264295
Energy: 0.47394383841743226
Energy: 0.5184047266956763
Energy: 0.4383645052664598
Energy: 0.4888304978487285
Energy: 0.5184047266978412
Energy: 0.438364505264295

minimum gb energy = 0.39173068346990403 eV
minimum distance =  2.22613796379116 Angstroms
sigma value = 165


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

Energy: 0.44737163800243046
Energy: 0.5054820560255816
Energy: 0.49902606961466134
Energy: 0.4402501529710261
Energy: 0.5054820560211223
Energy: 0.4990260696116885
Energy: 0.4473716379942551
Energy: 0.5054820560307839
Energy: 0.4990260696154046
Energy: 0.4402501529725125
Energy: 0.49440254351272944
Energy: 0.4724615504559874
Energy: 0.5380468780662296
Energy: 0.4944025435223912
Energy: 0.4724615504619331
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Energy: 0.49440254351198626
Energy: 0.47246155047010846
Energy: 0.5380468780580543
Energy: 0.49440254351198626
Energy: 0.46204869494108136
Energy: 0.5301325831780299
Energy: 0.5877996663856687
Energy: 0.46204869493959494
Energy: 0.5301325831906645
Energy: 0.5810384133738479
Energy: 0.46204869493513573
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Energy: 0.5877996663849255
Energy: 0.4620486949343925
Energy: 0.48662751663056125
Energy: 0.5089388135534432
Energy: 0.42770638787222043
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Energy: 0.42770638785735626
Energy: 0.4866275166320476
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Energy: 0.46169826276667697
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Energy: 0.5076135645146779
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Energy: 0.4684799994084955
Energy: 0.5071431441951264
Energy: 0.4695405519222348
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Energy: 0.47988337219755045
Energy: 0.511244260834881
Energy: 0.5537701112159393
Energy: 0.4650657365702613
Energy: 0.5112442608393402
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Energy: 0.47988337219234795
Energy: 0.5112442608371106
Energy: 0.5537701112203987
Energy: 0.4650657365739774
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Energy: 0.5296776089216061
Energy: 0.600433779592919
Energy: 0.5087891401869263
Energy: 0.529677608928295
Energy: 0.5580379939376089
Energy: 0.5326652502274122
Energy: 0.5296776089253221
Energy: 0.6004337795854869
Energy: 0.5087891401891559
Energy: 0.4827739264487266
Energy: 0.4327640836850722
Energy: 0.4796638223009299
Energy: 0.48277392645095624
Energy: 0.4327640836858154
Energy: 0.47966382230018667
Energy: 0.4827739264450106
Energy: 0.4327640836709512
Energy: 0.47966382229349785
Energy: 0.4827739264457538
Energy: 0.5086074943155336
Energy: 0.5333558223095268
Energy: 0.5618164960108636
Energy: 0.5086074943170201
Energy: 0.5333558223095268
Energy: 0.5618164960108636
Energy: 0.5086074943081016
Energy: 0.5333558223020948
Energy: 0.5618164960078907
Energy: 0.5086074943073584
Energy: 0.5066665134739505
Energy: 0.4495825408192601
Energy: 0.47079868832351685
Energy: 0.5066665134836124
Energy: 0.44958254082000326
Energy: 0.47079868831534155
Energy: 0.5066665134858419
Energy: 0.4495825408207465
Energy: 0.4707986883227736
Energy: 0.5066665134798962
Energy: 0.4402501529591347
Energy: 0.5054820560248383
Energy: 0.49902606961094526
Energy: 0.4402501529710261
Energy: 0.5054820560255816
Energy: 0.49902606961094526
Energy: 0.4402501529591347
Energy: 0.5054820560307839
Energy: 0.4990260696183775
Energy: 0.44025015296879644

minimum gb energy = 0.42770638785735626 eV
minimum distance =  2.31167241592561 Angstroms
sigma value = 41


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

Energy: 0.5560546186896971
Energy: 0.5075731208402937
Energy: 0.5081581249324769
Energy: 0.5393418324924556
Energy: 0.5075731208316429
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Energy: 0.4896704050361852
Energy: 0.5407643752694362
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Energy: 0.5242065838566397
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Energy: 0.5021364328525983
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Energy: 0.5313867671096576
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Energy: 0.4581958847868427
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Energy: 0.4581958847897263
Energy: 0.5284547651612967
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Energy: 0.5087082748603112
Energy: 0.5376169862819595
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Energy: 0.5121839293699094
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Energy: 0.5380416029258387
Energy: 0.4995402415818364
Energy: 0.4757670884004293
Energy: 0.5380416029316057
Energy: 0.49954024157606924
Energy: 0.47576708839754567
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Energy: 0.49954024157318555
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Energy: 0.5364954717866844
Energy: 0.5009391787853708
Energy: 0.5951177640739845
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Energy: 0.5364954717982187
Energy: 0.5009391787882542
Energy: 0.5951177640826353
Energy: 0.5364954717982187
Energy: 0.5532038042729948
Energy: 0.5701743746702057
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Energy: 0.553203804264344
Energy: 0.5436462266993878
Energy: 0.5145237455800608
Energy: 0.5532038042614603
Energy: 0.5701743746702057
Energy: 0.5145237455771773
Energy: 0.553203804264344
Energy: 0.4600753278507685
Energy: 0.47468684936191524
Energy: 0.4463459499957023
Energy: 0.4600753278421177
Energy: 0.4757439024998762
Energy: 0.44876648361174165
Energy: 0.4600753278421177
Energy: 0.47468684936768235
Energy: 0.44634594999281874
Energy: 0.4600753278507685
Energy: 0.511776101446363
Energy: 0.5022602310644831
Energy: 0.5321587085369063
Energy: 0.511776101460781
Energy: 0.5000600284398445
Energy: 0.5321587085369063
Energy: 0.511776101460781
Energy: 0.5022602310615994
Energy: 0.5321587085196572
Energy: 0.5117761014492467
Energy: 0.6257536976717576
Energy: 0.5714295369176078
Energy: 0.4940938146864351
Energy: 0.6257536976717576
Energy: 0.5724272979604031
Energy: 0.49409381467778435
Energy: 0.6257536976775249
Energy: 0.5714295369176078
Energy: 0.4940938146806678
Energy: 0.6257536976717576
Energy: 0.5314187908763828
Energy: 0.47255015856285815
Energy: 0.55165965529063
Energy: 0.5314187908706155
Energy: 0.47215796299879165
Energy: 0.55165965529063
Energy: 0.5314187908706155
Energy: 0.4725501585743926
Energy: 0.5516596552963972
Energy: 0.5314187908792662

minimum gb energy = 0.4105661459085891 eV
minimum distance =  2.24179906981208 Angstroms
sigma value = 185


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

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Energy: 0.47676652434557976
Energy: 0.37376369795093695
Energy: 0.33135344699860547
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Energy: 0.3808304738498101
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Energy: 0.23514743625866785
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Energy: 0.33135344699860547
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Energy: 0.37557100832978263
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Energy: 0.3097737871755489
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Energy: 0.5991981907966188
Energy: 0.3008038971707533
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Energy: 0.5468496300577859
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Energy: 0.46370319244421726
Energy: 0.5468496300595285
Energy: 0.22145577026271404
Energy: 0.46370319244010966
Energy: 0.5468496300577859
Energy: 0.2472704683958339
Energy: 0.46370319245068975
Energy: 0.5468496300554209
Energy: 0.4663834551611668
Energy: 0.3111094743131414
Energy: 0.4561737581346838
Energy: 0.45673687771448657
Energy: 0.30548423063146407
Energy: 0.4561737581244149
Energy: 0.46638345514237156
Energy: 0.311109474305922
Energy: 0.45617375811725774
Energy: 0.4567368777274316
Energy: 0.41310724424415346
Energy: 0.2465279123900645
Energy: 0.4828705326670231
Energy: 0.3669321256026289
Energy: 0.2035496383710062
Energy: 0.4828705326731845
Energy: 0.41310724423419576
Energy: 0.24652791239691046
Energy: 0.48287053267287333
Energy: 0.3669321256108441
Energy: 0.44038614951610805
Energy: 0.39253456959821204
Energy: 0.45851674099845036
Energy: 0.3784037882884575
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Energy: 0.4585167409981391
Energy: 0.44038614951025795
Energy: 0.3925345695872585
Energy: 0.4585167410005041
Energy: 0.37840378829978444

minimum gb energy = 0.2035496383706328 eV
minimum distance =  2.26530710022283 Angstroms
sigma value = 33


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

Energy: 0.5384879616090432
Energy: 0.44498452847346054
Energy: 0.45273883225720113
Energy: 0.5211348944217276
Energy: 0.44498452848849346
Energy: 0.45273883226095935
Energy: 0.5384879616278002
Energy: 0.4449845284960099
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Energy: 0.5718090181454688
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Energy: 0.612967664682054
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Energy: 0.48869756457879976
Energy: 0.49305447133213753
Energy: 0.49873311415223875
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Energy: 0.5128313897264762
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Energy: 0.5445253481958586
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Energy: 0.5445253481902211
Energy: 0.5128313897452675
Energy: 0.5301818458239275
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minimum gb energy = 0.4243205580070192 eV
minimum distance =  2.26720290045326 Angstroms
sigma value = 219


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

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Energy: 0.569227683565858
Energy: 0.575373651163423
Energy: 0.5854194067955998

minimum gb energy = 0.4538196874321963 eV
minimum distance =  2.2683310614072 Angstroms
sigma value = 15


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

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minimum gb energy = 0.5017255837930811 eV
minimum distance =  2.27540461541232 Angstroms
sigma value = 293


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

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Energy: 0.5646710296407037
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Energy: 0.6134825221286371
Energy: 0.4780874753204114
Energy: 0.5015102673404521
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Energy: 0.5015102673309523
Energy: 0.6134825221297606
Energy: 0.478087475331903
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Energy: 0.535046081673964
Energy: 0.6171943715253291
Energy: 0.5071751769594438
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Energy: 0.5071751769605675
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Energy: 0.6171943715275764
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Energy: 0.5350460816722785
Energy: 0.5341222678302312
Energy: 0.5426154802853799
Energy: 0.4669943303257544
Energy: 0.5341222678316613
Energy: 0.5426154802870654
Energy: 0.4669943303246307
Energy: 0.5341222678307931
Energy: 0.5426154802856353
Energy: 0.4669943303257544
Energy: 0.5341222678324785
Energy: 0.5272020445238986
Energy: 0.5653107522861764
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Energy: 0.5056471882773778
Energy: 0.5056567508960819
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Energy: 0.5272341450329109
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Energy: 0.572713459308889
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Energy: 0.5727134592956609
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Energy: 0.5318917680897823
Energy: 0.5727134593100126
Energy: 0.5272341450362817
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Energy: 0.46692587684170905
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Energy: 0.4669258768430881
Energy: 0.5323935780133057
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Energy: 0.46692587684339454
Energy: 0.5323935780127438
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Energy: 0.5355913768350213
Energy: 0.5071557208686799
Energy: 0.6180525972928799
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Energy: 0.6180525972908879
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Energy: 0.5324530820691485
Energy: 0.4915875688555094
Energy: 0.6134775902171917
Energy: 0.5324530820674631
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Energy: 0.6134775902203071
Energy: 0.5324530820685867
Energy: 0.49158756885326216
Energy: 0.6134775902194389
Energy: 0.5324530820665949
Energy: 0.5090228223900153
Energy: 0.6318752039311234
Energy: 0.5644895120906441
Energy: 0.5090228223919561
Energy: 0.631875203930306
Energy: 0.5644895120931979
Energy: 0.5090228223852142
Energy: 0.6318752039311234
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Energy: 0.5090228223860827
Energy: 0.5111844771180765
Energy: 0.5388348625666106
Energy: 0.5343154089110982
Energy: 0.5111844771200174
Energy: 0.5388348625691642
Energy: 0.5343154089066037
Energy: 0.5111844771192001
Energy: 0.5388348625666106
Energy: 0.5343154089099746
Energy: 0.5111844771186383
Energy: 0.4988691414202692
Energy: 0.5293444927088885
Energy: 0.529178995309301
Energy: 0.4988691414225165
Energy: 0.5293444927055176
Energy: 0.5291789952935703
Energy: 0.498869141420831
Energy: 0.5293444927072031
Energy: 0.5291789952961239
Energy: 0.49886914141883915
Energy: 0.5108433419608703
Energy: 0.5342886902747118
Energy: 0.5390795882298786
Energy: 0.5108433419653648
Energy: 0.5342886902752737
Energy: 0.5390795882293167
Energy: 0.5108433419678675
Energy: 0.5342886902752737
Energy: 0.5390795882296232
Energy: 0.5108433419636795
Energy: 0.5090494273458527
Energy: 0.5646710296403972
Energy: 0.6328602584883601
Energy: 0.5090494273407964
Energy: 0.5646710296403972
Energy: 0.6328602584894838
Energy: 0.5090494273421753
Energy: 0.5646710296407037
Energy: 0.6328602584889219
Energy: 0.5090494273421753
Energy: 0.5015102673143532
Energy: 0.6134825221317014
Energy: 0.4780874753274085
Energy: 0.501510267316907
Energy: 0.6134825221333868
Energy: 0.47808747532965573
Energy: 0.5015102673216567
Energy: 0.613482522129199
Energy: 0.47808747532122847
Energy: 0.5015102673126678
Energy: 0.535046081673964
Energy: 0.6171943715258909
Energy: 0.5071751769605675
Energy: 0.5350460816745258
Energy: 0.6171943715247672
Energy: 0.5071751769596993
Energy: 0.535046081673964
Energy: 0.6171943715264527
Energy: 0.5071751769608228
Energy: 0.5350460816750876

minimum gb energy = 0.4669258768411472 eV
minimum distance =  2.28606313928885 Angstroms
sigma value = 293


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

Energy: 0.5036233558511294
Energy: 0.5314917403849616
Energy: 0.5315439547275417
Energy: 0.5036233558521447
Energy: 0.5314917403890234
Energy: 0.5315439547295725
Energy: 0.5036233558501139
Energy: 0.531491740355053
Energy: 0.5315439547199261
Energy: 0.5036233558511294
Energy: 0.5514438501921307
Energy: 0.501271899971131
Energy: 0.6025778145682825
Energy: 0.551443850191623
Energy: 0.5012718999716388
Energy: 0.602577814570821
Energy: 0.5514438501921307
Energy: 0.5012718999716388
Energy: 0.6025778145611747
Energy: 0.5514438501972077
Energy: 0.5019741915944574
Energy: 0.6271670629944347
Energy: 0.5264801794554984
Energy: 0.501974191586334
Energy: 0.6271670629847882
Energy: 0.5264787687108212
Energy: 0.50197419160055
Energy: 0.6271670629913885
Energy: 0.5264795260423609
Energy: 0.5019741915853188
Energy: 0.5264751105274751
Energy: 0.6245365070185386
Energy: 0.5022488183796219
Energy: 0.5264723958658802
Energy: 0.6245365070342775
Energy: 0.5022488183821604
Energy: 0.5264891722543984
Energy: 0.6245365070297082
Energy: 0.5022488183887606
Energy: 0.5264724535764327
Energy: 0.6025230076079082
Energy: 0.5011966792401488
Energy: 0.5512903561758099
Energy: 0.6025230076206011
Energy: 0.5011966792376102
Energy: 0.5512903561758099
Energy: 0.6025230076256781
Energy: 0.5011966792406566
Energy: 0.5512903561747945
Energy: 0.6025230076150162
Energy: 0.531491740347945
Energy: 0.531543954718403
Energy: 0.5036233558501139
Energy: 0.5314917403915619
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Energy: 0.5315439547173876
Energy: 0.5036233558496063
Energy: 0.5314917403804383
Energy: 0.5012718999701157
Energy: 0.6025778145591437
Energy: 0.5514438501865919
Energy: 0.501271899971131
Energy: 0.6025778145642209
Energy: 0.5514438501900999
Energy: 0.5012718999706234
Energy: 0.6025778145647286
Energy: 0.5514438501931461
Energy: 0.501271899971131
Energy: 0.6271670629913885
Energy: 0.5264797760476345
Energy: 0.5019741915939498
Energy: 0.6271670629898651
Energy: 0.526480082231287
Energy: 0.5019741915954729
Energy: 0.6271670629918961
Energy: 0.5264779452535898
Energy: 0.5019741915934419
Energy: 0.6271670629974808
Energy: 0.6245365070251387
Energy: 0.5022488184314081
Energy: 0.5264913760281019
Energy: 0.624536507019554
Energy: 0.502248818467917
Energy: 0.5264972460744344
Energy: 0.6245365070205694
Energy: 0.5022488183811449
Energy: 0.52648580479524
Energy: 0.6245365070205694
Energy: 0.5011966792391334
Energy: 0.5512903561742868
Energy: 0.602523007608416
Energy: 0.5011966792401488
Energy: 0.5512903561768254
Energy: 0.6025230076129855
Energy: 0.5011966792381178
Energy: 0.5512903561783484
Energy: 0.6025230076206011
Energy: 0.5011966792411642
Energy: 0.5315439547072333
Energy: 0.5036233558521447
Energy: 0.5314917403814539
Energy: 0.5315439547148489
Energy: 0.5036233558496063
Energy: 0.5314917403819616
Energy: 0.5315439547077411
Energy: 0.5036233558511294
Energy: 0.5314917403448988
Energy: 0.5315439547244954
Energy: 0.6025778145738674
Energy: 0.5514438501956846
Energy: 0.501271899971131
Energy: 0.6025778145626979
Energy: 0.5514438501906076
Energy: 0.5012718999716388
Energy: 0.6025778145647286
Energy: 0.5514438501992386
Energy: 0.5012718999706234
Energy: 0.6025778145682825
Energy: 0.5264784640343725
Energy: 0.5019741915939498
Energy: 0.6271670629913885
Energy: 0.5264775231002757
Energy: 0.5019741915934419
Energy: 0.6271670629934193
Energy: 0.5264767469308831
Energy: 0.5019741915924266
Energy: 0.6271670629908807
Energy: 0.5264783811318033
Energy: 0.5022488184613169
Energy: 0.5264853162417481
Energy: 0.6245365070271696
Energy: 0.5022488184395315
Energy: 0.5264794465491042
Energy: 0.6245365070261543
Energy: 0.5022488184425317
Energy: 0.5264815615441522
Energy: 0.6245365070256466
Energy: 0.5022488184501472
Energy: 0.5512903561763176
Energy: 0.602523007617047
Energy: 0.5011966792391334
Energy: 0.5512903561763176
Energy: 0.60252300761197
Energy: 0.5011966792401488
Energy: 0.5512903561747945
Energy: 0.6025230076150162
Energy: 0.5011966792386258
Energy: 0.5512903561819025
Energy: 0.5036233558506216
Energy: 0.531491740346422
Energy: 0.5315439547148489
Energy: 0.503623355851637
Energy: 0.5314917403474374
Energy: 0.5315439547229723
Energy: 0.5036233558506216
Energy: 0.5314917403347446
Energy: 0.5315439547168799
Energy: 0.503623355851637
Energy: 0.5514438501926383
Energy: 0.5012718999721464
Energy: 0.6025778145616824
Energy: 0.5514438501982232
Energy: 0.501271899971131
Energy: 0.6025778145662517
Energy: 0.5514438501906076
Energy: 0.5012718999716388
Energy: 0.6025778145677748
Energy: 0.551443850191623
Energy: 0.5019741915898881
Energy: 0.6271670629863113
Energy: 0.526476834824002
Energy: 0.5019741915944574
Energy: 0.6271670629898651
Energy: 0.5264792203616173
Energy: 0.5019741915878573
Energy: 0.6271670629908807
Energy: 0.5264798699214277
Energy: 0.5019741915903958
Energy: 0.5264868060899921
Energy: 0.6245365070246311
Energy: 0.5022488184531935
Energy: 0.5264862319990593
Energy: 0.6245365070236157
Energy: 0.5022488184253157
Energy: 0.5264873958661815
Energy: 0.6245365070337698
Energy: 0.502248818447101
Energy: 0.526487686754821
Energy: 0.6025230076165393
Energy: 0.5011966792421796
Energy: 0.5512903561747945
Energy: 0.6025230076094314
Energy: 0.5011966792381178
Energy: 0.5512903561793638
Energy: 0.6025230076145085
Energy: 0.5011966792421796
Energy: 0.5512903561763176
Energy: 0.6025230076068928
Energy: 0.5314917403494682
Energy: 0.5315439547158644
Energy: 0.5036233558501139
Energy: 0.5314917403443912
Energy: 0.531543954718403
Energy: 0.503623355851637
Energy: 0.5314917403520067
Energy: 0.5315439547199261
Energy: 0.5036233558501139
Energy: 0.5314917403418525
Energy: 0.5012718999706234
Energy: 0.6025778145616824
Energy: 0.5514438501997464
Energy: 0.501271899971131
Energy: 0.6025778145672672
Energy: 0.5514438502017771
Energy: 0.5012718999701157
Energy: 0.6025778145550821
Energy: 0.5514438501972077
Energy: 0.501271899971131

minimum gb energy = 0.5011966792376102 eV
minimum distance =  2.27339408803269 Angstroms
sigma value = 15


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

Energy: 0.4887727879459827
Energy: 0.6198475206967333
Energy: 0.5945962165714506
Energy: 0.47390409631894614
Energy: 0.619847520715103
Energy: 0.5945962165691491
Energy: 0.48877278794828416
Energy: 0.6198475207036376
Energy: 0.5945962165668477
Energy: 0.4739040963166447
Energy: 0.5567487483173186
Energy: 0.5585273968142385
Energy: 0.528453706439893
Energy: 0.55674874830351
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Energy: 0.5567487482873998
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Energy: 0.5542925113784358
Energy: 0.5853143945056297
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Energy: 0.5542925113784358
Energy: 0.5853143945170951
Energy: 0.5970063176155119
Energy: 0.5542925113784358
Energy: 0.5397459182626181
Energy: 0.5559570585954721
Energy: 0.5372350151419304
Energy: 0.5397459182718237
Energy: 0.5559570585747591
Energy: 0.5372350151557391
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Energy: 0.5590342826229666
Energy: 0.5724877971473744
Energy: 0.5529943035436707
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Energy: 0.5590342826321724
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Energy: 0.529040420847166
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Energy: 0.5570733980255275
Energy: 0.5450321824070116
Energy: 0.6007757061427835
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Energy: 0.5151710224679553
Energy: 0.5507505814406852
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Energy: 0.550750581461398
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Energy: 0.5151710224495438
Energy: 0.5507505814521924
Energy: 0.6485665529754954
Energy: 0.5441085682272504
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Energy: 0.5486767087310435
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Energy: 0.5441085682295519
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Energy: 0.6045149020704836
Energy: 0.5633184806980331
Energy: 0.5503907904165986
Energy: 0.6045149020543735
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Energy: 0.5531589431138706
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Energy: 0.5575261840702486
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Energy: 0.5510493161854967
Energy: 0.5727762425049421
Energy: 0.5575261840840153
Energy: 0.558091709216563
Energy: 0.5365285129114676
Energy: 0.5855027334042922
Energy: 0.5580917092142615
Energy: 0.5353242981897688
Energy: 0.5855027334157993
Energy: 0.5580917092073573
Energy: 0.5365285128815489
Energy: 0.5855027334134978
Energy: 0.558091709216563
Energy: 0.6086070128351525
Energy: 0.5581678194141557
Energy: 0.5395933811953647
Energy: 0.608607012842057
Energy: 0.5581678194187586
Energy: 0.5395933811999676
Energy: 0.6086070128282484
Energy: 0.5581678194026486
Energy: 0.5395933811999676
Energy: 0.6086070128328511
Energy: 0.5570863935184952
Energy: 0.5237072586834238
Energy: 0.606704064449998
Energy: 0.5570863935207966
Energy: 0.5237072586948891
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Energy: 0.5570863935184952
Energy: 0.5487150273508641
Energy: 0.6078630347954833
Energy: 0.52162716891196
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Energy: 0.6078630347908804
Energy: 0.522880919652091
Energy: 0.5487150273485627
Energy: 0.6078630347908804
Energy: 0.5216271689441383
Energy: 0.5487150273416584
Energy: 0.519283762732964
Energy: 0.5499602314986637
Energy: 0.5501735671248565
Energy: 0.5192837627467725
Energy: 0.5499602314963622
Energy: 0.5501735671294593
Energy: 0.5192837627214567
Energy: 0.5499602314871564
Energy: 0.5501735671133912
Energy: 0.519283762707648
Energy: 0.5023278702749673
Energy: 0.5966193761203807
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Energy: 0.5966193761341892
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Energy: 0.5296375440746828
Energy: 0.5895262975281907
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Energy: 0.5654639813424118
Energy: 0.5207291279989973
Energy: 0.5618437346448175
Energy: 0.5654639813493162
Energy: 0.5721200848756313
Energy: 0.5489660040163571
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Energy: 0.5721200848802341
Energy: 0.5489660040255628
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Energy: 0.5721200848756313
Energy: 0.5489660040163571
Energy: 0.5212430775844872
Energy: 0.5721200848733299
Energy: 0.5576685110398746
Energy: 0.5743711655832507
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Energy: 0.574371165594758
Energy: 0.5366951944635413
Energy: 0.5576685110444773
Energy: 0.574371165594758
Energy: 0.5366951944750068
Energy: 0.5576685110330122
Energy: 0.5459759207279493
Energy: 0.5504772008957275
Energy: 0.5489518239116911
Energy: 0.5415432731897489
Energy: 0.5450712984691313
Energy: 0.5489518239024853
Energy: 0.5459759207233464
Energy: 0.5504772009002884
Energy: 0.5489518238955808
Energy: 0.5415432731782417
Energy: 0.5898457739499938
Energy: 0.6506546286058752
Energy: 0.5379703906181064
Energy: 0.5898457739615011
Energy: 0.6506546286150808
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Energy: 0.5898457739499938
Energy: 0.5957120197978542
Energy: 0.5570356458469795
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Energy: 0.5957120197978542
Energy: 0.556128167469572
Energy: 0.5094206027841864
Energy: 0.5948777897642269
Energy: 0.5521077628470791
Energy: 0.5094206027910908
Energy: 0.6051712445439914
Energy: 0.556128167483339
Energy: 0.5094206027887893
Energy: 0.594877789755063
Energy: 0.5521077628700934
Energy: 0.5616779079902969
Energy: 0.556503704511553
Energy: 0.5862349562925377
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Energy: 0.5616779080041054
Energy: 0.5565037045253615
Energy: 0.5862349562948393
Energy: 0.5616779079879954
Energy: 0.5429915360922568
Energy: 0.5299012600972847
Energy: 0.5717344327275508
Energy: 0.5429915360945584
Energy: 0.5299012600811746
Energy: 0.5717344327321535
Energy: 0.5429915360876539
Energy: 0.5299012600903804
Energy: 0.571734432734455
Energy: 0.5429915360922568
Energy: 0.7498842895769005
Energy: 0.5595075248712706
Energy: 0.5984903994294823
Energy: 0.7626908375596813
Energy: 0.5594927682446602
Energy: 0.5984903994409895
Energy: 0.7498842895699962
Energy: 0.5595075248390925
Energy: 0.598490399438688
Energy: 0.7626908375367089
Energy: 0.547380054535272
Energy: 0.5455011069176443
Energy: 0.6206238829872972
Energy: 0.5473800545306693
Energy: 0.54550110692685
Energy: 0.6206238829965028
Energy: 0.5473800545306693
Energy: 0.5455011069360558
Energy: 0.6206238829942015
Energy: 0.5473800545306693
Energy: 0.6355025932851099
Energy: 0.5603989123361498
Energy: 0.5247074681337758
Energy: 0.6355025932897127
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Energy: 0.6355025932920141
Energy: 0.5603989123407526
Energy: 0.5247074681176656
Energy: 0.6355025932897127
Energy: 0.5675675379023198
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Energy: 0.5551428891361545
Energy: 0.5675675379092242
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Energy: 0.5675675378862516
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Energy: 0.5551428891499631
Energy: 0.5675675378908545
Energy: 0.547033028483123
Energy: 0.5488519478660667
Energy: 0.5963412315643066
Energy: 0.5400529384039205
Energy: 0.5488519478775319
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Energy: 0.5470330284808215
Energy: 0.5488519478660667
Energy: 0.5963412315758139
Energy: 0.5400529384085235
Energy: 0.5445583556423653
Energy: 0.5969926485785352
Energy: 0.5762513265730937
Energy: 0.542563380160221
Energy: 0.5969926485785352
Energy: 0.5547463742209333
Energy: 0.5445583556423653
Energy: 0.5969926485785352
Energy: 0.5762513265822995
Energy: 0.5425633801579196
Energy: 0.5666667688324338
Energy: 0.555997962981669
Energy: 0.5437258673981316
Energy: 0.5666667688324338
Energy: 0.555997962997779
Energy: 0.5437258673820633
Energy: 0.5666667688370366
Energy: 0.5559979629885734
Energy: 0.5437258673820633
Energy: 0.5666667688370366
Energy: 0.656658753737884
Energy: 0.5424338915212199
Energy: 0.5401681718690563
Energy: 0.6566587537447883
Energy: 0.5424338915235214
Energy: 0.5401681718391377
Energy: 0.6566587537585968
Energy: 0.5424338915097127
Energy: 0.5401681718437406
Energy: 0.6566587537516926
Energy: 0.564047858620831
Energy: 0.5927911942715064
Energy: 0.5524918459359925
Energy: 0.564047858620831
Energy: 0.5927911942669035
Energy: 0.5575155277934932
Energy: 0.5640478586185296
Energy: 0.5927911942738078
Energy: 0.5524918459474997
Energy: 0.5640478586139266
Energy: 0.6112026232822707
Energy: 0.5925623171956445
Energy: 0.5333861558590102
Energy: 0.6112026232822707
Energy: 0.5925623172002473
Energy: 0.5333861558590102
Energy: 0.6112026232960793
Energy: 0.5925623172071516
Energy: 0.5333861558590102
Energy: 0.6112026232868736
Energy: 0.5302272975924197
Energy: 0.5688976071583141
Energy: 0.542267142567959
Energy: 0.5302272975970226
Energy: 0.5688976071560125
Energy: 0.5422671425610547
Energy: 0.5302272976062282
Energy: 0.5688976071491083
Energy: 0.5422671425587533
Energy: 0.5302272975855155
Energy: 0.6056076416255887
Energy: 0.5802248355945046
Energy: 0.5778815186281273
Energy: 0.6056076416163829
Energy: 0.5802248356082714
Energy: 0.5778815186143187
Energy: 0.6056076416117802
Energy: 0.5802248355922032
Energy: 0.5778815186235244
Energy: 0.6056076416140814
Energy: 0.5405134641180919
Energy: 0.5383840220669496
Energy: 0.5621598172290295
Energy: 0.5405134641111876
Energy: 0.5383840220669496
Energy: 0.5621598172175224
Energy: 0.5405134641157904
Energy: 0.5383840220669496
Energy: 0.562159817215221
Energy: 0.5405134641203932
Energy: 0.558998703301829
Energy: 0.5447327323932601
Energy: 0.5440584658947939
Energy: 0.5589987033110346
Energy: 0.5451552712732167
Energy: 0.5499570921327414
Energy: 0.5589987033064318
Energy: 0.5447327323909587
Energy: 0.544058465890233
Energy: 0.5589987033064318
Energy: 0.6385306588465348
Energy: 0.5395256913619221
Energy: 0.546684829296501
Energy: 0.6385306588626449
Energy: 0.5395256913596207
Energy: 0.5466848292872952
Energy: 0.6385306588534393
Energy: 0.5395256913734292
Energy: 0.546684829291898
Energy: 0.638530658858042
Energy: 0.5600696560558002
Energy: 0.6609223994179962
Energy: 0.5517853293294558
Energy: 0.5600696560741698
Energy: 0.6609223994179962
Energy: 0.5517853293340587
Energy: 0.5600696560764713
Energy: 0.6609223994225991
Energy: 0.5517853293225514
Energy: 0.5600696560581017
Energy: 0.5835932836216536
Energy: 0.5339092290400272
Energy: 0.6160838264408683
Energy: 0.5835932836193521
Energy: 0.5303474916120364
Energy: 0.6160838264408683
Energy: 0.5835932836170507
Energy: 0.5339092290239172
Energy: 0.6160838264477725
Energy: 0.5835932836193521
Energy: 0.5241592845598809
Energy: 0.525831239697124
Energy: 0.5771243460722644
Energy: 0.5241592845667853
Energy: 0.525831239697124
Energy: 0.5771243460699629
Energy: 0.524159284575991
Energy: 0.5258312396787125
Energy: 0.5771243460699629
Energy: 0.5241592845713882
Energy: 0.6138375335098842
Energy: 0.5654697368859434
Energy: 0.533705087140137
Energy: 0.6138375335144871
Energy: 0.565469736879039
Energy: 0.536896221789386
Energy: 0.613837533498377
Energy: 0.565469736883642
Energy: 0.5337050871263282
Energy: 0.6138375335121857
Energy: 0.5773661771939674
Energy: 0.5733675584072598
Energy: 0.5167661390089248
Energy: 0.5773661771962688
Energy: 0.5733675584118627
Energy: 0.5167661390089248
Energy: 0.5773661771939674
Energy: 0.5733675584141642
Energy: 0.516766139011226
Energy: 0.5773661772008718
Energy: 0.5166976674499069
Energy: 0.5703232648012087
Energy: 0.5488133224756303
Energy: 0.5166976674522082
Energy: 0.5703232647989072
Energy: 0.5488133224825347
Energy: 0.5166976674476055
Energy: 0.5703232647989072
Energy: 0.5488133224641232
Energy: 0.5166976674430025

minimum gb energy = 0.4739040963166447 eV
minimum distance =  2.2299861985314 Angstroms
sigma value = 437


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

Energy: 0.5235539827792175
Energy: 0.5341736108541757
Energy: 0.5345194875622324
Energy: 0.5235539827834098
Energy: 0.5341736108533371
Energy: 0.5345194875697784
Energy: 0.5235539827783791
Energy: 0.5341736108533371
Energy: 0.5345194875639093
Energy: 0.5235539827825714
Energy: 0.5197434072867013
Energy: 0.517109621038753
Energy: 0.49925540867169577
Energy: 0.5197434072833476
Energy: 0.5171096210379146
Energy: 0.49925540867840346
Energy: 0.5197434072858628
Energy: 0.5171096210412685
Energy: 0.49925540867169577
Energy: 0.5197434072833476
Energy: 0.5518063000408849
Energy: 0.5529719672466546
Energy: 0.7309770745311285
Energy: 0.5518063000350159
Energy: 0.5529719672490938
Energy: 0.7309770745378362
Energy: 0.5518063000400465
Energy: 0.5529719672466546
Energy: 0.7309770745328055
Energy: 0.5518063000358544
Energy: 0.4912133458538391
Energy: 0.5531472024315489
Energy: 0.49139844462576543
Energy: 0.49121334585635446
Energy: 0.5531472024307105
Energy: 0.4913984446173809
Energy: 0.4912133458522384
Energy: 0.5531472024315489
Energy: 0.49139844462576543
Energy: 0.49121334585635446
Energy: 0.4759521415254426
Energy: 0.4997436571955296
Energy: 0.5761877729454729
Energy: 0.4759521415237657
Energy: 0.4997436572029995
Energy: 0.5761877729538574
Energy: 0.4759521415254426
Energy: 0.49974365719385266
Energy: 0.5761877729463112
Energy: 0.47595214152292725
Energy: 0.5425199810109156
Energy: 0.49278013353632
Energy: 0.5161668485502777
Energy: 0.5425199810151079
Energy: 0.49278013353632
Energy: 0.5161668485494392
Energy: 0.5425199810109156
Energy: 0.4927801335354815
Energy: 0.5161668485502777
Energy: 0.5425199810151079
Energy: 0.564112994594426
Energy: 0.5120205169988663
Energy: 0.5428439802904274
Energy: 0.5641129945952644
Energy: 0.512020517031566
Energy: 0.542843980282043
Energy: 0.564112994594426
Energy: 0.5120205170122817
Energy: 0.5428439802895889
Energy: 0.5641129945969412
Energy: 0.5095944123234876
Energy: 0.5900458677632019
Energy: 0.5572006545885738
Energy: 0.5095944123201338
Energy: 0.5900458677539789
Energy: 0.5572006546011508
Energy: 0.5095944123226491
Energy: 0.5900458677648789
Energy: 0.5572006545894124
Energy: 0.5095944123218108
Energy: 0.5453629160051813
Energy: 0.5078373557021161
Energy: 0.5068792317787427
Energy: 0.5453629159967969
Energy: 0.5078373557071467
Energy: 0.5068792317812582
Energy: 0.5453629160018275
Energy: 0.5078373557071467
Energy: 0.5068792317795812
Energy: 0.5453629159976353
Energy: 0.5030527937887983
Energy: 0.5306562751273318
Energy: 0.5547433280341549
Energy: 0.5030527937879599
Energy: 0.5306562751390702
Energy: 0.5547433280266086
Energy: 0.5030527937871215
Energy: 0.5306562751264934
Energy: 0.5547433280349933
Energy: 0.503052793786283
Energy: 0.5765029260979311
Energy: 0.5286042108466469
Energy: 0.5241238890650216
Energy: 0.5765029260962541
Energy: 0.5286042108491623
Energy: 0.5241238890633446
Energy: 0.5765029260979311
Energy: 0.5286042108466469
Energy: 0.52412388906586
Energy: 0.5765029260970926
Energy: 0.5926924328123115
Energy: 0.5086394909385389
Energy: 0.607965471297119
Energy: 0.5926924328139884
Energy: 0.508639490932746
Energy: 0.6079654713088574
Energy: 0.5926924328139884
Energy: 0.5086394909360236
Energy: 0.607965471297119
Energy: 0.5926924328131499
Energy: 0.5016096541079574
Energy: 0.5044903382584311
Energy: 0.5028661408885896
Energy: 0.5016096541104729
Energy: 0.5044903382643002
Energy: 0.5028661408894282
Energy: 0.5016096541079574
Energy: 0.5044903382575927
Energy: 0.5028661408885896
Energy: 0.5016096541096344
Energy: 0.5150093396889314
Energy: 0.5116853449804657
Energy: 0.5942825810619344
Energy: 0.5150093396973159
Energy: 0.5116853449737581
Energy: 0.5942825810736728
Energy: 0.5150093396897698
Energy: 0.5116853449804657
Energy: 0.594282581061096
Energy: 0.5150093396981543

minimum gb energy = 0.47595214152292725 eV
minimum distance =  2.26398004685095 Angstroms
sigma value = 33