Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0419338792562485
cohesive_energy=3.3704402760057754
mass=26.981538
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: 0.012762502739670781
Energy: 0.2698603354995463
Energy: 0.7123961661751624
Energy: 0.2703658452931625
Energy: 0.01276250273985285
Energy: 0.26986026189684964
Energy: 0.712396166091071
Energy: 0.3977241983649877
Energy: 0.04313733670062181
Energy: 0.22419342855151383
Energy: 0.025455879771603403
Energy: 0.39772419836278017
Energy: 0.04313733673906036
Energy: 0.2241934285521055
Energy: 0.012762502739465961
Energy: 0.26986034760462047
Energy: 0.7123961662330138
Energy: 0.27036584553797216
Energy: 0.01276250273985285
Energy: 0.2698603539206062
Energy: 0.7123961662470328
Energy: 0.3977241983643732
Energy: 0.04313733669361228
Energy: 0.22419342855171867
Energy: 0.025455879775813664
Energy: 0.3977241983635767
Energy: 0.04313733672003452
Energy: 0.2241934285525152
Energy: 0.012762502739465961
Energy: 0.2698602808922348
Energy: 0.7123961661937788
Energy: 0.2703658459481656
Energy: 0.01276250273985285
Energy: 0.2698602474524398
Energy: 0.7123961661229098
Energy: 0.3977241983641684
Energy: 0.043137336708018205
Energy: 0.22419342855292484
Energy: 0.025455879788808585
Energy: 0.3977241983621884
Energy: 0.04313733669941562
Energy: 0.22419342855010282

minimum gb energy = 0.012762502739465961 eV
minimum distance =  2.79390664430466 Angstroms
sigma value = 5


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

Energy: 0.7133875274503322
Energy: 0.7381425403032955
Energy: 0.7953117269862878
Energy: 0.729379571693112
Energy: 0.7133875274478854
Energy: 0.738142540315529
Energy: 0.7782728039429013
Energy: 0.6687278988323039
Energy: 0.703923566113713
Energy: 0.7526014021494657
Energy: 0.7031292458371564
Energy: 0.6687278988861316
Energy: 0.7039235661161598
Energy: 0.7526014004864582
Energy: 0.6636540521257985
Energy: 0.6882016981537562
Energy: 0.7919893199844408
Energy: 0.6950372650875882
Energy: 0.663654052113565
Energy: 0.688201698192859
Energy: 0.7919893201287078
Energy: 0.7080139607291811
Energy: 0.6923527415314172
Energy: 0.7683545904012332
Energy: 0.697004693281428
Energy: 0.7080139607414145
Energy: 0.6923527415338638
Energy: 0.7683545903987865
Energy: 0.6826945919493411
Energy: 0.6629607938475303
Energy: 0.8186070988397659
Energy: 0.7099112185716693
Energy: 0.682694591959128
Energy: 0.6629607938401901
Energy: 0.8186070989718439
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Energy: 0.6921864843504862
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Energy: 0.6846021145418397
Energy: 0.6921864845314539
Energy: 0.7487888472065296
Energy: 0.6598900305090011
Energy: 0.7055067705471338
Energy: 0.8008155794482784
Energy: 0.688178669665882
Energy: 0.6598900305114477
Energy: 0.7055067705544739
Energy: 0.8008155794605121
Energy: 0.6611561125715968
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Energy: 0.7998343948200524
Energy: 0.6909585147573407
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Energy: 0.7998343950499542
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Energy: 0.7780435229931933
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Energy: 0.778043518957899
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Energy: 0.6854950170150519
Energy: 0.7319201374507075
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Energy: 0.700117136284602
Energy: 0.7339894486507905
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Energy: 0.7762708960792777
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Energy: 0.779854699860645
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Energy: 0.6999862242720087
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Energy: 0.7216525783237544
Energy: 0.7916275834865825
Energy: 0.7867140170055632
Energy: 0.6964963837610035
Energy: 0.7216525781256596
Energy: 0.7916276206527504
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Energy: 0.680684910855352
Energy: 0.7690919091389825
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Energy: 0.6798091838903664
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Energy: 0.7552713525791915
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Energy: 0.6620798646547982
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Energy: 0.8168721228283241
Energy: 0.6882466465090751
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Energy: 0.7043993984356046
Energy: 0.8168721228039015
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Energy: 0.6892898787879241
Energy: 0.7386587339713842
Energy: 0.7049060181019298
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Energy: 0.6892898787561168
Energy: 0.7386587335409407
Energy: 0.7021833248394116
Energy: 0.6981007203256293
Energy: 0.7687245946616872
Energy: 0.6798662275126529
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Energy: 0.7177584467200203
Energy: 0.7328411519889876
Energy: 0.782558969401708
Energy: 0.7010277021716422
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Energy: 0.7825589693992612
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Energy: 0.6923927675437707
Energy: 0.7837601771943207
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Energy: 0.7612702521039444
Energy: 0.6686295322848257
Energy: 0.6741276041250086
Energy: 0.8160978173915321
Energy: 0.6950868354908486
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Energy: 0.8160978173939787
Energy: 0.6593116850345891
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Energy: 0.7590437233939014
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Energy: 0.6983956461448384
Energy: 0.7963995082792205
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Energy: 0.6461090941953977
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Energy: 0.7963995078781377
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Energy: 0.6790524982418275
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Energy: 0.6893475291110764
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Energy: 0.6790524983787543
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Energy: 0.6608867160722677
Energy: 0.690805020640627
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Energy: 0.685869729075519
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Energy: 0.6908050209683084
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Energy: 0.6775414573102847
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Energy: 0.7736814152016771
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Energy: 0.7736814151869968
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Energy: 0.7902331891524167
Energy: 0.7055982215117483
Energy: 0.6782491594981674
Energy: 0.7490180241206483
Energy: 0.7902331890179366
Energy: 0.6921224977484414
Energy: 0.6855335260053466
Energy: 0.7437134473177963
Energy: 0.6950100654511325
Energy: 0.6921224977459947
Energy: 0.6855335260591298
Energy: 0.7437134473129029
Energy: 0.7015237113377516
Energy: 0.6803902248150543
Energy: 0.77709422933667
Energy: 0.6911282729614469
Energy: 0.7015237113353048
Energy: 0.6803902248150543
Energy: 0.7770942301926186
Energy: 0.7174042052565114
Energy: 0.6867405950033615
Energy: 0.7811807362690325
Energy: 0.7081686198487401
Energy: 0.7174042052931676
Energy: 0.6867405943185937
Energy: 0.7811807362690325
Energy: 0.6768488033885767
Energy: 0.678152896681224
Energy: 0.777881520138753
Energy: 0.7283170886576682
Energy: 0.6768488033934702
Energy: 0.6781528971190074
Energy: 0.777881520495795
Energy: 0.6587936748965135
Energy: 0.7148858593457147
Energy: 0.7782756828612055
Energy: 0.6755020656902933
Energy: 0.6587936748940667
Energy: 0.7148858593432681
Energy: 0.7782756828636521
Energy: 0.6560800922323697
Energy: 0.6979786509174241
Energy: 0.8207456574999167
Energy: 0.7047589746538686
Energy: 0.6560800923693411
Energy: 0.6979786509174241
Energy: 0.8207456574999167
Energy: 0.6549227998810113
Energy: 0.6814625638420146
Energy: 0.7458287458871812
Energy: 0.6610691197784694
Energy: 0.654922799883458
Energy: 0.6814625673490418
Energy: 0.7458287535664738

minimum gb energy = 0.6461090935864335 eV
minimum distance =  2.54553886386921 Angstroms
sigma value = 401


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

Energy: 0.6731987664938525
Energy: 0.7152440007619328
Energy: 0.8033736670819079
Energy: 0.7206065920991606
Energy: 0.6731987664938525
Energy: 0.7152440007630436
Energy: 0.7892223091131818
Energy: 0.6657234300021907
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Energy: 0.6775067496899994
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Energy: 0.7920042793106284
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Energy: 0.8336426744408528
Energy: 0.6964288420127123
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Energy: 0.6873497722937458
Energy: 0.8336426744408528
Energy: 0.6731506183651939
Energy: 0.7164614168599056
Energy: 0.767049290662564
Energy: 0.6839375705844928
Energy: 0.6731506183629721
Energy: 0.7164614168652078
Energy: 0.7670492807981977
Energy: 0.6718742566646678
Energy: 0.7392456477987396
Energy: 0.7680255851411288
Energy: 0.6930534367784306
Energy: 0.6718742566618906
Energy: 0.739245647781571
Energy: 0.7522440685663715
Energy: 0.6808205135403037
Energy: 0.6935791094731626
Energy: 0.7656131677694572
Energy: 0.6917759330528803
Energy: 0.6808205135425255
Energy: 0.6935791092963262
Energy: 0.7656131677866762
Energy: 0.6743484300585432
Energy: 0.6850047407871424
Energy: 0.7823195545301976
Energy: 0.6903013548364687
Energy: 0.6743484300527361
Energy: 0.685004740785779
Energy: 0.7823195530849557
Energy: 0.6602574230719374
Energy: 0.6766742646112135
Energy: 0.7726355135712168
Energy: 0.7038363928694398
Energy: 0.6602574230708265
Energy: 0.6766742679882757
Energy: 0.7726355189936138
Energy: 0.6511022586468459
Energy: 0.7152440008213663
Energy: 0.7714993403061202
Energy: 0.720606592141072
Energy: 0.6511022586462903
Energy: 0.7152440007860698
Energy: 0.7714993403197037
Energy: 0.6657234300035542
Energy: 0.7034819276334529
Energy: 0.73870653245059
Energy: 0.6925765154273669
Energy: 0.665723430000272
Energy: 0.7034819276370885
Energy: 0.7387065324125666

minimum gb energy = 0.651102258632404 eV
minimum distance =  2.55557590083803 Angstroms
sigma value = 311


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

Energy: 0.7466654265918943
Energy: 0.7118654204155783
Energy: 0.7937352315273647
Energy: 0.6977998379858843
Energy: 0.7466654265678426
Energy: 0.7118654204152577
Energy: 0.7891911697171925
Energy: 0.7306912490398981
Energy: 0.7312699299649132
Energy: 0.7517433760422901
Energy: 0.7285126438101461
Energy: 0.7306912490402188
Energy: 0.7312699299642718
Energy: 0.7517433761830153
Energy: 0.6841829996358914
Energy: 0.7148051145651249
Energy: 0.8162033546102341
Energy: 0.6989011063269737
Energy: 0.6841829996355706
Energy: 0.7148051145859698
Energy: 0.8162033546089513
Energy: 0.6718485692702886
Energy: 0.725157363110388
Energy: 0.7591443767664631
Energy: 0.7061392917395038
Energy: 0.6718482187629754
Energy: 0.7251573631199796
Energy: 0.7591438558435368
Energy: 0.6912818366680339
Energy: 0.707788650423401
Energy: 0.7660531356390642
Energy: 0.7204707913654644
Energy: 0.6912818366677131
Energy: 0.7077886503416538
Energy: 0.765802467100331
Energy: 0.6853204389513459
Energy: 0.698737922226283
Energy: 0.771469897790731
Energy: 0.7047544037522909
Energy: 0.6853204496916928
Energy: 0.6987379222541832
Energy: 0.7714698962447053
Energy: 0.6924141464889613
Energy: 0.7385494413508951
Energy: 0.7547067782290564
Energy: 0.713787973065417
Energy: 0.6924141464889613
Energy: 0.7385494413528192
Energy: 0.7233512330956934
Energy: 0.6918789668132238
Energy: 0.7095069600137512
Energy: 0.8021876527851142
Energy: 0.690554752975173
Energy: 0.6918789668116203
Energy: 0.7095069600377738
Energy: 0.8021876526219403
Energy: 0.6680701684531429
Energy: 0.7227557915514782
Energy: 0.7928239874374406
Energy: 0.7116331206672587
Energy: 0.6680701681377279
Energy: 0.7227557915524402
Energy: 0.7792820256623058
Energy: 0.6904784727312481
Energy: 0.7290411034530018
Energy: 0.7842348444966247
Energy: 0.736348556932105
Energy: 0.6904784727309274
Energy: 0.7290411034571708
Energy: 0.7842348268170617
Energy: 0.7055175380527254
Energy: 0.7143836974078028
Energy: 0.7932699700569121
Energy: 0.6994846267814089
Energy: 0.7055175380046508
Energy: 0.7143836974151787
Energy: 0.7932699701502043
Energy: 0.7021988328863712
Energy: 0.7192694238980984
Energy: 0.7311077922582132
Energy: 0.710371934973598
Energy: 0.7021988311355399
Energy: 0.7192694254553486
Energy: 0.7343453342557933
Energy: 0.6854609216034065
Energy: 0.7141003334336105
Energy: 0.7486877192061145
Energy: 0.7316979496408786
Energy: 0.6854609215892962
Energy: 0.7141003334336105
Energy: 0.7486877194773032
Energy: 0.6619724052423982
Energy: 0.7118769785525804
Energy: 0.7692301487044907
Energy: 0.7183705150087394
Energy: 0.6619724052686948
Energy: 0.7118769784503379
Energy: 0.7692301451511965
Energy: 0.6901729068974477
Energy: 0.7303409316958275
Energy: 0.7501091020991614
Energy: 0.7124866827557259
Energy: 0.6901729068891096
Energy: 0.730340931696469
Energy: 0.7501091022350764
Energy: 0.7023778106670424
Energy: 0.7041055657436969
Energy: 0.7336748991151079
Energy: 0.744715895038728
Energy: 0.7023778103853
Energy: 0.7041055517712435
Energy: 0.7336780934100908
Energy: 0.7258466774763198
Energy: 0.7078798148858494
Energy: 0.804673873749603
Energy: 0.7140244909947828
Energy: 0.7258466774756783
Energy: 0.7078798148848874
Energy: 0.8046738737159596
Energy: 0.7068928755289121
Energy: 0.7424503616754633
Energy: 0.7530960195127239
Energy: 0.7166228236795393
Energy: 0.7068928755173671
Energy: 0.7424503616860461
Energy: 0.7530950761477025
Energy: 0.6706366271544691
Energy: 0.7071334002840234
Energy: 0.7626122520938821
Energy: 0.6972836341115921
Energy: 0.670636627158638
Energy: 0.7071334002769971
Energy: 0.7626115575591537
Energy: 0.6859575202636476
Energy: 0.6972383855445697
Energy: 0.8216699454565044
Energy: 0.7111012060062722
Energy: 0.6859575202754841
Energy: 0.6972383858099859
Energy: 0.8216699454946667
Energy: 0.6848113308609396
Energy: 0.7170289599688997
Energy: 0.7803935015992591
Energy: 0.7338490514183584
Energy: 0.6848113309458939
Energy: 0.717028952604592
Energy: 0.7803935015591726
Energy: 0.6805877055993144
Energy: 0.713956186253583
Energy: 0.7835608021252005
Energy: 0.702685912294755
Energy: 0.6805877056384096
Energy: 0.7139561859763305
Energy: 0.7835607959065495
Energy: 0.718186822851094
Energy: 0.7020851390580363
Energy: 0.7875181958530807
Energy: 0.717188573294525
Energy: 0.7181868228520562
Energy: 0.7020851390019445
Energy: 0.7875185302893335
Energy: 0.6896483784236359
Energy: 0.7111760656362432
Energy: 0.7670686912762786
Energy: 0.7249155181779948
Energy: 0.6896483783996131
Energy: 0.7111760656362432
Energy: 0.7670686941551288
Energy: 0.6981975913712772
Energy: 0.6995215022546003
Energy: 0.7445246877054053
Energy: 0.6999160257145788
Energy: 0.6981975913709565
Energy: 0.699521502768436
Energy: 0.7445247572543859
Energy: 0.7205707879050057
Energy: 0.736694730146477
Energy: 0.7520580007580439
Energy: 0.7347823005526677
Energy: 0.720570788297999
Energy: 0.7366947294832572
Energy: 0.7520579974269017
Energy: 0.7330172115004957
Energy: 0.6966573576490802
Energy: 0.7864431398208996
Energy: 0.7159188937884136
Energy: 0.7330172114995336
Energy: 0.6966573567198321
Energy: 0.7864431575014539
Energy: 0.72813024724661
Energy: 0.7364327201355906
Energy: 0.7578937072847409
Energy: 0.738449464333262
Energy: 0.728130247593103
Energy: 0.7364327201359113
Energy: 0.7578937073408328
Energy: 0.7099963072939812
Energy: 0.7023755210639839
Energy: 0.7795214258053014
Energy: 0.6999065243938818
Energy: 0.7099963072898123
Energy: 0.7023755199840397
Energy: 0.7795214256677829
Energy: 0.6763406299939251
Energy: 0.7203525694289333
Energy: 0.7552320602191998
Energy: 0.7133116391040639
Energy: 0.67634062999617
Energy: 0.7203525694276506
Energy: 0.7552320610132036
Energy: 0.6923147551605836
Energy: 0.7132486292401259
Energy: 0.7685558207924419
Energy: 0.7386768988444877
Energy: 0.6923147551567354
Energy: 0.7132486291994271
Energy: 0.7685701453727277
Energy: 0.6847535813350586
Energy: 0.7116932683912983
Energy: 0.7580353043089371
Energy: 0.7121505638247975
Energy: 0.6847535812552645
Energy: 0.7116932683877707
Energy: 0.7580353047150786
Energy: 0.685819930287582
Energy: 0.7245937564796942
Energy: 0.7686058834879087
Energy: 0.7084957388116191
Energy: 0.685819930287582
Energy: 0.7245937564171884
Energy: 0.7686058834702707
Energy: 0.6894326182605337
Energy: 0.7069647903819599
Energy: 0.8054510785606849
Energy: 0.6827991251027252
Energy: 0.6894326104365579
Energy: 0.7069647903726598
Energy: 0.8054510780394734
Energy: 0.6758369876980719
Energy: 0.6977653950658332
Energy: 0.768811038373577
Energy: 0.7031841078639219
Energy: 0.675836988403273
Energy: 0.697765394206146
Energy: 0.7688143542497531
Energy: 0.689510628427648
Energy: 0.7247055204599561
Energy: 0.7894242453403001
Energy: 0.7453972189726242
Energy: 0.689510628436948
Energy: 0.7247055204977976
Energy: 0.789424245337414

minimum gb energy = 0.6619724052423982 eV
minimum distance =  2.52596988886824 Angstroms
sigma value = 39


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

Energy: 0.677941217997264
Energy: 0.7553560118757803
Energy: 0.7571290840888802
Energy: 0.7497928549549812
Energy: 0.6779412190682549
Energy: 0.7553560118738879
Energy: 0.7224782406478814
Energy: 0.671125426856056
Energy: 0.7333027331555553
Energy: 0.7422690254976367
Energy: 0.7438006705744412
Energy: 0.671125426853785
Energy: 0.733302734180406
Energy: 0.7422690254950218
Energy: 0.6838906250781158
Energy: 0.6691287442657378
Energy: 0.809550457914404
Energy: 0.735765680943523
Energy: 0.6838906250959043
Energy: 0.6691287442661161
Energy: 0.8095504579128902
Energy: 0.6680197843076094
Energy: 0.734841193005943
Energy: 0.7020200505475417
Energy: 0.7291625568277087
Energy: 0.6680197843151446
Energy: 0.7348411930104848
Energy: 0.702020050816915
Energy: 0.6932803979176324
Energy: 0.7621377860137004
Energy: 0.6859077860866823
Energy: 0.7292850931203876
Energy: 0.6932803979353865
Energy: 0.7621377860152144
Energy: 0.6859066558923594
Energy: 0.6617438354969847
Energy: 0.7170966824446016
Energy: 0.805120021467996
Energy: 0.7859222910755651
Energy: 0.6617438259605327
Energy: 0.7170966824117083
Energy: 0.8051200217252582
Energy: 0.7378818289228686
Energy: 0.7604271530536099
Energy: 0.6995381387780168
Energy: 0.7891351947145724
Energy: 0.737881828920632
Energy: 0.7604271530547453
Energy: 0.6807022243295356
Energy: 0.6695760905084094
Energy: 0.7232344197318297
Energy: 0.7334220248648627
Energy: 0.7300476977405305
Energy: 0.6695760898811673
Energy: 0.7232344197314512
Energy: 0.7334220273597924
Energy: 0.7401492878082272
Energy: 0.7879043809811547
Energy: 0.7389295487921914
Energy: 0.7529207670910852
Energy: 0.7401492878089841
Energy: 0.7879043809811547
Energy: 0.7310333313125689
Energy: 0.6643549910394043
Energy: 0.7894905895589547
Energy: 0.7286525114847457
Energy: 0.7191999393660705
Energy: 0.6643549910503458
Energy: 0.7894905895608472
Energy: 0.7236220388641442
Energy: 0.701728414101403
Energy: 0.7374463150638191
Energy: 0.8179162595184274
Energy: 0.752631885296953
Energy: 0.7017284141010246
Energy: 0.7374463150626838
Energy: 0.8200756000248939
Energy: 0.6635796801943477
Energy: 0.7336008681727307
Energy: 0.6970383332827322
Energy: 0.7411822473718184
Energy: 0.6635796802053237
Energy: 0.7336008681927557
Energy: 0.6970383332649436
Energy: 0.6820288905886811
Energy: 0.7325469475869716
Energy: 0.7478726005061138
Energy: 0.6656725008927287
Energy: 0.6820288903806213
Energy: 0.7325469475869716
Energy: 0.7478725932765912
Energy: 0.67728638120342
Energy: 0.7459144768776109
Energy: 0.6956107407937739
Energy: 0.7510417751487569
Energy: 0.6772863810630733
Energy: 0.7459144768783678
Energy: 0.6956107408096702
Energy: 0.6779412114589118
Energy: 0.7553560118769157
Energy: 0.7152302705272405
Energy: 0.7497928549553596
Energy: 0.6779412096778268
Energy: 0.7553560118754018
Energy: 0.7152304013885618
Energy: 0.6711254268500003
Energy: 0.7333027347062503
Energy: 0.7422690254923726
Energy: 0.7438006705714135
Energy: 0.6711254268375105
Energy: 0.7333027354904919
Energy: 0.7422690254908586
Energy: 0.6838906250928766
Energy: 0.6691287442649806
Energy: 0.809550457915161
Energy: 0.735765680943523
Energy: 0.6838906251121445
Energy: 0.6691287442661161
Energy: 0.8095504579147825
Energy: 0.6680197843140092
Energy: 0.7348411930066999
Energy: 0.702020050602008
Energy: 0.7291625568261948
Energy: 0.6680197843268774
Energy: 0.7348411930172972
Energy: 0.7020200508997674
Energy: 0.69328039796188
Energy: 0.7621377860144574
Energy: 0.6859180146676338
Energy: 0.7292850931200435
Energy: 0.6932803979671788
Energy: 0.7621377860152144
Energy: 0.6859014880442803
Energy: 0.6617438341471585
Energy: 0.7170966822142114
Energy: 0.8051200215270042
Energy: 0.785922291069131
Energy: 0.6617438303182989
Energy: 0.7170966822350278
Energy: 0.8051200215527409
Energy: 0.73788182892249
Energy: 0.7604271530536099
Energy: 0.6995381387776385
Energy: 0.7891351947141939
Energy: 0.737881828920632
Energy: 0.7604271530543669
Energy: 0.6889660019477418
Energy: 0.669576090588234
Energy: 0.723234419732965
Energy: 0.7334220210268851
Energy: 0.7300476977416658
Energy: 0.6695760903555728
Energy: 0.7232344197314512
Energy: 0.7334220257731765
Energy: 0.7401492878078486
Energy: 0.7879043809811547
Energy: 0.7310333313125689
Energy: 0.7529207670929776
Energy: 0.7401492878093626
Energy: 0.7879043809815331
Energy: 0.7310333312909956
Energy: 0.6643549910159388
Energy: 0.7894905895597116
Energy: 0.7286990531539608
Energy: 0.7191999393361707
Energy: 0.6643549910333487
Energy: 0.7894905895593332
Energy: 0.7199315874856802
Energy: 0.7017284141025385
Energy: 0.7374463150638191
Energy: 0.8992723636733724
Energy: 0.7526318852961961
Energy: 0.7017284141006461
Energy: 0.7374463150623054
Energy: 0.8992723636661812
Energy: 0.6635796802136501
Energy: 0.7336008682222771
Energy: 0.6970383332513528
Energy: 0.7411822473767385
Energy: 0.6635796802344319
Energy: 0.7336008682396871
Energy: 0.6970383332354568
Energy: 0.682028895159049
Energy: 0.7325469475869716
Energy: 0.7340388242189556
Energy: 0.6656725008927287
Energy: 0.6820288972934607
Energy: 0.7325469475865931
Energy: 0.7401820791242317
Energy: 0.6772863809877905
Energy: 0.7459144768779893
Energy: 0.6956107407911246
Energy: 0.7510417751502708
Energy: 0.6772863809745439
Energy: 0.7459144768764754
Energy: 0.6956107407869614
Energy: 0.6779412115349516
Energy: 0.7553560118754018
Energy: 0.7152303761832753
Energy: 0.7497928549542241
Energy: 0.6779412134499835
Energy: 0.7553560118746449
Energy: 0.715230477907883
Energy: 0.6711254268488649
Energy: 0.733302737502724
Energy: 0.7422690254829106
Energy: 0.7438006704934814
Energy: 0.6711254268420521
Energy: 0.7333027396507611
Energy: 0.7422690254829106

minimum gb energy = 0.6617438259605327 eV
minimum distance =  2.53822904284689 Angstroms
sigma value = 21


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

Energy: 0.7055959103778591
Energy: 0.7704951238473198
Energy: 0.7716373778089042
Energy: 0.7697728597410215
Energy: 0.7055959103769402
Energy: 0.7704951238454819
Energy: 0.7912245577182361
Energy: 0.7624873001978572
Energy: 0.7523506490840035
Energy: 0.7754631073930407
Energy: 0.7051667045047858
Energy: 0.762487300083954
Energy: 0.7523506483827284
Energy: 0.7754631074063648
Energy: 0.7262775994026169
Energy: 0.7476058988883215
Energy: 0.7748477720841745
Energy: 0.7449298188074688
Energy: 0.7262775994016981
Energy: 0.7476058988883215
Energy: 0.7748478584698042
Energy: 0.7661251928580207
Energy: 0.7514040858955562
Energy: 0.7648293827782116
Energy: 0.7055905586462363
Energy: 0.766125193319105
Energy: 0.7514040858955562
Energy: 0.7648293827786711
Energy: 0.716506187984546
Energy: 0.775414750072843
Energy: 0.7409538690997319
Energy: 0.7538609381573862
Energy: 0.7165061881250767
Energy: 0.7754147500742213
Energy: 0.7409538691181102
Energy: 0.767999520028358
Energy: 0.7293243077288719
Energy: 0.7327961548980592
Energy: 0.6892958174621759
Energy: 0.7679995197734646
Energy: 0.7293243077288719
Energy: 0.7327961557811951
Energy: 0.7430383137739838
Energy: 0.7848031515838231
Energy: 0.727054836753675
Energy: 0.7298805986894101
Energy: 0.7430383140564235
Energy: 0.7848031515833637
Energy: 0.7270548367541345
Energy: 0.6887629966460386
Energy: 0.7373469560224211
Energy: 0.7596845809543684
Energy: 0.7376986273531884
Energy: 0.6887629830760869
Energy: 0.737348388037596
Energy: 0.7596852564598789
Energy: 0.726317417528778
Energy: 0.7308631429251515
Energy: 0.8049567498402024
Energy: 0.7645710610968195
Energy: 0.72631741751867
Energy: 0.7308631429251515
Energy: 0.8049567412255603
Energy: 0.7501008824362447
Energy: 0.721124081772473
Energy: 0.6901478745185986
Energy: 0.7735152734860394
Energy: 0.7501008824192449
Energy: 0.7211241493641642
Energy: 0.6901478741608501
Energy: 0.7663963057133197
Energy: 0.7487108427336342
Energy: 0.793256488101943
Energy: 0.712062281374184
Energy: 0.7663963057124008
Energy: 0.7487108427345532
Energy: 0.793256488102862
Energy: 0.7272816447752962
Energy: 0.7690825367496144
Energy: 0.7930738728941857
Energy: 0.6861075455286209
Energy: 0.7272816447757556
Energy: 0.7690825367491548
Energy: 0.7930738728969422
Energy: 0.768464531997601
Energy: 0.7264291024614482
Energy: 0.7518147240749302
Energy: 0.7139096882785148
Energy: 0.7684645319980603
Energy: 0.7264290152666132
Energy: 0.7518147240744708
Energy: 0.7475735548856608
Energy: 0.7203471157936766
Energy: 0.7474388783281852
Energy: 0.7439665233766687
Energy: 0.7475735548861202
Energy: 0.7203471238526282
Energy: 0.7474388785890306
Energy: 0.7505626377167658
Energy: 0.7470989589555954
Energy: 0.7528794689763344
Energy: 0.7051687277758079
Energy: 0.7505626405292175
Energy: 0.7470989589588117
Energy: 0.7528794689767939
Energy: 0.7172562179497745
Energy: 0.7494399499154297
Energy: 0.7056751173044721
Energy: 0.6901338535056063
Energy: 0.7172562170464225
Energy: 0.7494399499094776
Energy: 0.7061631036276974
Energy: 0.7758776104411685
Energy: 0.7177363531602892
Energy: 0.7251298427700499
Energy: 0.7255799782058828
Energy: 0.7758776104411685
Energy: 0.7177363531593703
Energy: 0.7251298423080466
Energy: 0.7285965115452984
Energy: 0.6975116680732681
Energy: 0.7157798306430696
Energy: 0.7431314162467899
Energy: 0.728596511559082
Energy: 0.6975116596198323
Energy: 0.7157798442456427
Energy: 0.7357450740346093
Energy: 0.7234378247731226
Energy: 0.7881931364199876
Energy: 0.7050844504585116
Energy: 0.7357450772548902
Energy: 0.7234378247703658
Energy: 0.7881931364190686
Energy: 0.6822172833219157
Energy: 0.745046650788424
Energy: 0.6961899184940054
Energy: 0.7308535996587717
Energy: 0.6822172833379757
Energy: 0.7450466507875052
Energy: 0.6961892343982039
Energy: 0.7521907876638108
Energy: 0.7020458456068869
Energy: 0.7189045203142284
Energy: 0.7197901910421658
Energy: 0.7521907876656487
Energy: 0.7020458455999952
Energy: 0.7189243705327396
Energy: 0.7214030800333127
Energy: 0.7472398297418698
Energy: 0.7227547450143138
Energy: 0.7092021410243933
Energy: 0.7214030800333127
Energy: 0.7472398297046747
Energy: 0.7227547447819338
Energy: 0.7374201273625942
Energy: 0.7075083992143978
Energy: 0.7127124403973262
Energy: 0.7202110484250465
Energy: 0.7374201276390612
Energy: 0.7075083984644203
Energy: 0.7127124349124941
Energy: 0.7267246753067064
Energy: 0.6889013357624141
Energy: 0.6964392124255472
Energy: 0.7432112600600603
Energy: 0.7267246753076253
Energy: 0.6889007182640214
Energy: 0.6964083563256491
Energy: 0.7581186584293682
Energy: 0.7183572311977965
Energy: 0.7720221111763894
Energy: 0.7531424422598294
Energy: 0.7581186584353202
Energy: 0.7183572312046882
Energy: 0.7720221111754705

minimum gb energy = 0.6822172833219157 eV
minimum distance =  2.54558701164963 Angstroms
sigma value = 113


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

Energy: 0.7667674980211335
Energy: 0.7564747432367721
Energy: 0.7816800392064575
Energy: 0.7683089980046398
Energy: 0.7667674983125687
Energy: 0.7564747439265005
Energy: 0.7816807581204847
Energy: 0.7632471426821867
Energy: 0.7490484396630793
Energy: 0.7804307687428491
Energy: 0.7601349268874397
Energy: 0.7632471392822646
Energy: 0.7490484392842275
Energy: 0.7804307687341772
Energy: 0.7763674787824802
Energy: 0.7500890838571885
Energy: 0.7862457619039144
Energy: 0.737556052066657
Energy: 0.7763674788145096
Energy: 0.750089085164148
Energy: 0.7862457619165024
Energy: 0.7387488790847095
Energy: 0.7675450830014211
Energy: 0.8330837199784015
Energy: 0.7656401398972953
Energy: 0.7387488790823784
Energy: 0.7675450829993697
Energy: 0.833083719974019
Energy: 0.7630849329318447
Energy: 0.7049150458975479
Energy: 0.7319416207548209
Energy: 0.7343454801483466
Energy: 0.7630849331979174
Energy: 0.7049150457614578
Energy: 0.7319416358490765
Energy: 0.7347368452265927
Energy: 0.729264003922881
Energy: 0.8174138703915116
Energy: 0.7282392081816879
Energy: 0.7347368452786229
Energy: 0.7292640024745165
Energy: 0.8174138703922577
Energy: 0.7510915922316067
Energy: 0.6983135110035396
Energy: 0.7543109501251738
Energy: 0.7217956692684804
Energy: 0.7510916957180552
Energy: 0.6983135310732201
Energy: 0.7543109488639043
Energy: 0.7256899095788859
Energy: 0.7352706431152093
Energy: 0.7729437053281626
Energy: 0.7443324355231534
Energy: 0.7256899095760421
Energy: 0.7352706427996702
Energy: 0.772943709937324
Energy: 0.7503567781158179
Energy: 0.7112059218646639
Energy: 0.7837569043153854
Energy: 0.7138184504446593
Energy: 0.7503567450284799
Energy: 0.7112059207517926
Energy: 0.783756904297156
Energy: 0.7458251180736234
Energy: 0.7271009782672925
Energy: 0.8094878827588753
Energy: 0.7423549489014712
Energy: 0.7458251180731107
Energy: 0.7271009785697304
Energy: 0.809487882759901
Energy: 0.735794885459829
Energy: 0.7408301220597595
Energy: 0.7712273853697204
Energy: 0.7236402565111245
Energy: 0.7357949729595805
Energy: 0.7408301219218512
Energy: 0.77122738533177
Energy: 0.7530491869800524
Energy: 0.7322551009356185
Energy: 0.8101099324354819
Energy: 0.7305138036765697
Energy: 0.7530491869815911
Energy: 0.732255101170128
Energy: 0.8101099324462516
Energy: 0.7433323741342744
Energy: 0.7290324808720766
Energy: 0.7887222004605395
Energy: 0.7340404385223789
Energy: 0.7433326371651152
Energy: 0.7290324809635494
Energy: 0.7887222004625908
Energy: 0.7646101456169491
Energy: 0.757838900492289
Energy: 0.8000265783659459
Energy: 0.7521692871263195
Energy: 0.764610145580304
Energy: 0.7578389005158798
Energy: 0.8000265783134028
Energy: 0.7673019609482643
Energy: 0.7386048795528024
Energy: 0.8153961431070693
Energy: 0.7375220833294341
Energy: 0.7673019609431361
Energy: 0.7386048797614365
Energy: 0.815396143047626
Energy: 0.7573866653988361
Energy: 0.7453983098992953
Energy: 0.7906110455901031
Energy: 0.7614199948660582
Energy: 0.7573866654075545
Energy: 0.7453983099064752
Energy: 0.79061104559346
Energy: 0.7810807759134362
Energy: 0.7228231683541404
Energy: 0.8214503093015506
Energy: 0.7137819854948484
Energy: 0.7810807759144619
Energy: 0.722823150929802
Energy: 0.8214503093002916
Energy: 0.7359534793137475
Energy: 0.7221310278073602
Energy: 0.749310495972848
Energy: 0.7273345819763789
Energy: 0.7359534793009265
Energy: 0.7221310277609712
Energy: 0.7493104892411656
Energy: 0.7754420325489815
Energy: 0.7221222392341761
Energy: 0.7841178195373549
Energy: 0.7568575130238033
Energy: 0.7754420325476761
Energy: 0.7221222281060691
Energy: 0.7841178195396395
Energy: 0.7398578943596765
Energy: 0.7303298037988857
Energy: 0.7679319898745399
Energy: 0.7360970039930241
Energy: 0.7398578943486269
Energy: 0.7303298037986061
Energy: 0.7679319895154559
Energy: 0.7497813806225984
Energy: 0.7184046450062087
Energy: 0.7845302945414986
Energy: 0.7530122094030663
Energy: 0.7497813805715937
Energy: 0.718404645098474
Energy: 0.7845302957381965
Energy: 0.7450690512120379
Energy: 0.7353221382639902
Energy: 0.7261019701522248
Energy: 0.6922211285366506
Energy: 0.7450690512156278
Energy: 0.7353221382624516
Energy: 0.7261019713845887
Energy: 0.74547413125943
Energy: 0.7063714662593037
Energy: 0.8250058225819316
Energy: 0.741306063835961
Energy: 0.7454738827017908
Energy: 0.7063714664315727
Energy: 0.82500582258347
Energy: 0.7393949484939251
Energy: 0.7256300027795335
Energy: 0.7470541341892218
Energy: 0.7112842267390448
Energy: 0.7393949519261563
Energy: 0.7256300027705821
Energy: 0.747054141424797
Energy: 0.7568449165770879
Energy: 0.7072143388529903
Energy: 0.7710607323204325
Energy: 0.7645147942753415
Energy: 0.756844916572752
Energy: 0.7072143896971294
Energy: 0.7710607323186142
Energy: 0.7229455277683036
Energy: 0.7679372684150603
Energy: 0.7727829621142713
Energy: 0.7450777955594737
Energy: 0.7229455138943834
Energy: 0.7679372685232236
Energy: 0.7727829616301
Energy: 0.7951889985195176
Energy: 0.706545773201265
Energy: 0.7572888703137953
Energy: 0.7838080518051738
Energy: 0.7951889985182122
Energy: 0.7077297507285276
Energy: 0.757288870288666
Energy: 0.7195935133950838
Energy: 0.7780096148013093
Energy: 0.7489416770778528
Energy: 0.7453744235579032
Energy: 0.7195935163251943
Energy: 0.7780096148023349
Energy: 0.7489424077046756
Energy: 0.7885030361152958
Energy: 0.7170869967653063
Energy: 0.7955255039151282
Energy: 0.7858737202823766
Energy: 0.7885030361096547
Energy: 0.7170869261575613
Energy: 0.7955255039174128
Energy: 0.7386916463951096
Energy: 0.743543344245351
Energy: 0.7387070635049339
Energy: 0.7408053223997556
Energy: 0.7386916464084435
Energy: 0.7435433592409073
Energy: 0.7387065588163028
Energy: 0.7608825839789124
Energy: 0.7182122683156741
Energy: 0.7737212214436286
Energy: 0.7597539323620932
Energy: 0.7608825843174827
Energy: 0.7182124256624832
Energy: 0.7737211987470215
Energy: 0.7229194291691492
Energy: 0.7245181145718925
Energy: 0.7315266789651668
Energy: 0.7080352141047951
Energy: 0.7229194291809447
Energy: 0.7245181145652255
Energy: 0.7315266790246099
Energy: 0.7349915885273597
Energy: 0.6895434273132595
Energy: 0.7617196163502167
Energy: 0.7419750099896232
Energy: 0.7349914513417504
Energy: 0.6904655921914788
Energy: 0.7617194700469886
Energy: 0.7315477969707337
Energy: 0.7062620069123815
Energy: 0.7216120581394968
Energy: 0.7150275767933644
Energy: 0.7315477975663787
Energy: 0.7062620096756778
Energy: 0.7216120587508067
Energy: 0.7259944037540842
Energy: 0.7025708436748244
Energy: 0.7852477530566496
Energy: 0.7336950969484276
Energy: 0.7259944036108144
Energy: 0.702570843693753
Energy: 0.7852477530579084
Energy: 0.7203641823060265
Energy: 0.7048225043381794
Energy: 0.7223787314748671
Energy: 0.6969792573494351
Energy: 0.7203641830285304
Energy: 0.7048225039585817
Energy: 0.7223910703949092
Energy: 0.748066906702638
Energy: 0.6996569030129941
Energy: 0.7648643681511018
Energy: 0.7498500741128579
Energy: 0.7480669067087922
Energy: 0.6996569282680397
Energy: 0.7648643681303549
Energy: 0.7354603978534303
Energy: 0.7362691119477591
Energy: 0.7307767912176094
Energy: 0.72604790809989
Energy: 0.7354601626512725
Energy: 0.7362691119480389
Energy: 0.7307770721948635
Energy: 0.749712846904387
Energy: 0.6976295458068011
Energy: 0.7984899042341386
Energy: 0.7384313368377058
Energy: 0.7497128493777867
Energy: 0.6976296102749185
Energy: 0.7984899044389497
Energy: 0.7268268551630962
Energy: 0.7450794428602595
Energy: 0.7467350620448798
Energy: 0.7473356933587595
Energy: 0.7268268546246099
Energy: 0.7450786959422968
Energy: 0.7467350624223796
Energy: 0.7787169153639873
Energy: 0.7210471070544342
Energy: 0.8249132914140396
Energy: 0.7425872489911469
Energy: 0.77871691536119
Energy: 0.7210470917438986
Energy: 0.8249132914122214
Energy: 0.7375271737475216
Energy: 0.7246025833127524
Energy: 0.7754337545964941
Energy: 0.7444204662304228
Energy: 0.7375271714415422
Energy: 0.7246026135407055
Energy: 0.7754337548051283
Energy: 0.7621879650569874
Energy: 0.7393915802788303
Energy: 0.7904474040228437
Energy: 0.7550671844596251
Energy: 0.7621879649595936
Energy: 0.7393915829410963
Energy: 0.790447404021818
Energy: 0.7544661466631354
Energy: 0.7292290723421753
Energy: 0.7922590187744383
Energy: 0.7203135658725994
Energy: 0.7544661466690099
Energy: 0.7292290722860422
Energy: 0.7922589375924577
Energy: 0.7341881028087438
Energy: 0.7036223719072294
Energy: 0.7584474307310056
Energy: 0.7343286881514763
Energy: 0.7341881028087438
Energy: 0.7036223732507872
Energy: 0.758447572226695

minimum gb energy = 0.6895434273132595 eV
minimum distance =  2.53518006670358 Angstroms
sigma value = 365


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

Energy: 0.6965190781351978
Energy: 0.7082862169603614
Energy: 0.8528353634397807
Energy: 0.708286216970768
Energy: 0.6965190781357758
Energy: 0.7082862170013827
Energy: 0.7122919321264937
Energy: 0.6965190781351978
Energy: 0.7082862169909765
Energy: 0.8528353634397807
Energy: 0.7082862169268297
Energy: 0.6965190781351978
Energy: 0.708286217010633
Energy: 0.8528353634392025
Energy: 0.6965190781351978
Energy: 0.7082862169210746
Energy: 0.8528353634397807
Energy: 0.7082862169482206
Energy: 0.6965190781334634
Energy: 0.7082862169505331
Energy: 0.732132011075596
Energy: 0.6965190781351978
Energy: 0.708286216945908
Energy: 0.7321329960969244
Energy: 0.7082862169447517
Energy: 0.6965190781346197
Energy: 0.7082862169782836
Energy: 0.6713149932976864
Energy: 0.6965190781351978
Energy: 0.7082862169239652
Energy: 0.7321324949478277
Energy: 0.7082862169170275
Energy: 0.6965190781357758
Energy: 0.7082862169522676
Energy: 0.732134250449009
Energy: 0.6965190781340415
Energy: 0.7082862169297204
Energy: 0.7321355972038592
Energy: 0.7082862169233871
Energy: 0.6965190781340415
Energy: 0.7082862169482206
Energy: 0.704968777174536
Energy: 0.6965190781357758
Energy: 0.7082862169453299
Energy: 0.7049687770335236
Energy: 0.7082862168696205
Energy: 0.6965190781346197
Energy: 0.7082862169880857
Energy: 0.6713149866214585
Energy: 0.6965190781346197
Energy: 0.7082862168898552
Energy: 0.7049687766001321
Energy: 0.7082862169054649
Energy: 0.6965190781346197
Energy: 0.7082862169302984
Energy: 0.7049687765949291
Energy: 0.6965190781363539
Energy: 0.708286216954002
Energy: 0.6713149881840268
Energy: 0.7082862169719242
Energy: 0.6965190781351978
Energy: 0.7082862169568926
Energy: 0.6713149905857061
Energy: 0.6965190781357758
Energy: 0.7082862169672992
Energy: 0.6713149775227646
Energy: 0.7082862169279859
Energy: 0.6965190781363539
Energy: 0.7082862169701898
Energy: 0.6713149766617108
Energy: 0.6965190781357758
Energy: 0.708286216993289
Energy: 0.6713149801815826
Energy: 0.7082862169615178
Energy: 0.6965190781357758
Energy: 0.7082862170054298
Energy: 0.6713149798498644
Energy: 0.6965190781346197
Energy: 0.7082862169407049
Energy: 0.6713149802607347
Energy: 0.708286216937236
Energy: 0.6965190781351978
Energy: 0.7082862169534238
Energy: 0.6357045098316504
Energy: 0.6965190781357758
Energy: 0.7082862169672992
Energy: 0.6357045099449122
Energy: 0.7082862169181839
Energy: 0.6965190781351978
Energy: 0.7082862170262427
Energy: 0.6357045099188962
Energy: 0.6965190781363539
Energy: 0.7082862169545802
Energy: 0.6357045098547495
Energy: 0.7082862169095119
Energy: 0.6965190781351978
Energy: 0.7082862169880857
Energy: 0.6357045099154274
Energy: 0.6965190781340415
Energy: 0.7082862169383923
Energy: 0.6357045100338926
Energy: 0.7082862169464862
Energy: 0.6965190781351978
Energy: 0.7082862169655646
Energy: 0.6357045098622652
Energy: 0.6965190781357758
Energy: 0.7082862169857994
Energy: 0.635704509966277
Energy: 0.7082862169100899
Energy: 0.6965190781351978
Energy: 0.7082862170221956
Energy: 0.6357045099697458
Energy: 0.6965190781346197
Energy: 0.7082862169794399
Energy: 0.635704510117696
Energy: 0.7082862169256997
Energy: 0.6965190781357758
Energy: 0.7082862169690335
Energy: 0.6357045098801875
Energy: 0.6965190781351978
Energy: 0.7082862169100899
Energy: 0.6357045100073246
Energy: 0.7082862169262778
Energy: 0.6965190781346197
Energy: 0.7082862169071993
Energy: 0.63570450991774
Energy: 0.6965190781346197
Energy: 0.7082862170141018
Energy: 0.6357045099188962
Energy: 0.708286216901996
Energy: 0.6965190781346197
Energy: 0.7082862170175707
Energy: 0.6357045098102593
Energy: 0.6965190781363539
Energy: 0.7082862169251215
Energy: 0.6357045099541362
Energy: 0.7082862169216526
Energy: 0.6965190781357758
Energy: 0.7082862169597832
Energy: 0.6357045100246425

minimum gb energy = 0.6357045098102593 eV
minimum distance =  2.63970373695761 Angstroms
sigma value = 23