Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762046966
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: 0.02022493737705643
Energy: 0.49391583755889396
Energy: 0.27551941486666115
Energy: 0.4936888180682004
Energy: 0.02022493737705643
Energy: 0.4939158375594091
Energy: 0.2755194148691797
Energy: 0.5206443224122096
Energy: 0.021034381671598972
Energy: 0.25052915764952194
Energy: 0.02103830407277529
Energy: 0.5206443224122096
Energy: 0.021034381671598972
Energy: 0.25052915764952194
Energy: 0.02022493737705643
Energy: 0.49391583755915147
Energy: 0.27551941486666115
Energy: 0.4936888180679715
Energy: 0.02022493737705643
Energy: 0.49391583755966667
Energy: 0.2755194148691797
Energy: 0.5206443224122096
Energy: 0.021034381671598972
Energy: 0.25052915764952194
Energy: 0.02103830407277529
Energy: 0.5206443224122096
Energy: 0.021034381671598972
Energy: 0.25052915764952194
Energy: 0.02022493737705643
Energy: 0.49391583755915147
Energy: 0.27551941486666115
Energy: 0.4936888180679715
Energy: 0.02022493737705643
Energy: 0.49391583755966667
Energy: 0.27551941486666115
Energy: 0.5206443224122096
Energy: 0.021034381671598972
Energy: 0.25052915764952194
Energy: 0.02103830407277529
Energy: 0.5206443224122096
Energy: 0.021034381671598972
Energy: 0.25052915764952194

minimum gb energy = 0.02022493737705643 eV
minimum distance =  2.52595859148536 Angstroms
sigma value = 5


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

Energy: 0.99626334244435
Energy: 0.9681431414068907
Energy: 0.8948166072535411
Energy: 0.9679252460994383
Energy: 0.9962633424351752
Energy: 0.9681431414099677
Energy: 0.8841839820596195
Energy: 0.8888223689097642
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Energy: 0.8868558797614061
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Energy: 0.914892691132587
Energy: 0.9366802862611022
Energy: 0.9679856301687565
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Energy: 0.9339003836350795
Energy: 0.8811807653324353
Energy: 0.9813726297584778
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Energy: 0.8618979281512958
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Energy: 0.9406975006242501
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Energy: -0.635956220066518
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Energy: 0.8994284902838667
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Energy: 0.8942555518212165
Energy: 0.9641309213877752
Energy: 0.9646683123023414
Energy: 1.0105342235376642
Energy: 0.8942555518212165
Energy: 0.9641309213939291
Energy: 1.013558589094785
Energy: -0.6606372607401484
Energy: 0.8396439953523841
Energy: 1.0191328764624366
Energy: 1.0135585890978616
Energy: -0.6606372620564883
Energy: 0.8396439953493073
Energy: 0.9110402069779432
Energy: 0.9288645425234364
Energy: 0.9048327977552298
Energy: 0.9526949434040727
Energy: 0.9110402069533282
Energy: 0.9288645425295902
Energy: 0.9048327977583067
Energy: 0.9522980030799773
Energy: 0.9358931036710675
Energy: 0.9426286602483622
Energy: 0.9470414841689838
Energy: 0.952298003083054
Energy: 0.9358931036679905
Energy: 0.942628660251439
Energy: 0.9900405212780132
Energy: 0.9532605839478769
Energy: 0.833867786937852
Energy: 0.9009370986472941
Energy: 0.9900405212810341
Energy: 0.9532605839417232
Energy: 0.833867786937852
Energy: 0.9507447775159692
Energy: 0.8957114484517729
Energy: 0.9921986796446527
Energy: 0.906593437357648
Energy: 0.9507447775159692
Energy: 0.8957114484456192
Energy: 0.992198679638499

minimum gb energy = -0.6606372620564883 eV
minimum distance =  2.23083506545035 Angstroms
sigma value = 401


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

Energy: 1.0524750689086797
Energy: 1.0086204055635801
Energy: 0.9448543651908785
Energy: 1.008478847029829
Energy: 1.0524750689121722
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Energy: 1.008741883944517
Energy: 0.9235816297997671
Energy: 0.9208613150503773
Energy: 0.9449846059080965
Energy: 1.008741883944517
Energy: 0.9207262280059102
Energy: 0.9219110353197868
Energy: 1.008853301878565
Energy: 0.9442478345853522
Energy: 0.9207262280059102
Energy: 0.9219110353197868
Energy: 1.0088533018855501
Energy: 0.9212899627176044
Energy: 1.0597307103532887
Energy: 0.9981484513243114
Energy: 0.7300734640043048
Energy: 0.9212899627106192
Energy: 1.059730710349796
Energy: 0.9981484513208186
Energy: 0.9179115305881573
Energy: 0.9721893916195554
Energy: 0.9724965949248912
Energy: 0.8718250677532647
Energy: 0.9179115305881573
Energy: 0.972189391623048
Energy: 0.9724965949318762
Energy: 0.9179968538687407
Energy: 0.9197717930154812
Energy: 0.9975111802890404
Energy: 0.8709365988767519
Energy: 0.9179968538652481
Energy: 0.9197717930189739
Energy: 0.9975111802855479
Energy: 0.9877825430536642
Energy: 0.905956136475895
Energy: 0.9417193274160093
Energy: 0.7375561355323574
Energy: 0.9877825430606494
Energy: 0.9059561364724024
Energy: 0.9417193274160093
Energy: 0.9255333156573274
Energy: 0.9733620941166042
Energy: 0.9420199703298932
Energy: 0.889610993670059
Energy: 0.9255333156573274
Energy: 0.9733620941131117
Energy: 0.9420199703264005
Energy: 1.0524750689121722
Energy: 1.0086204055635801
Energy: 0.9418251700806316
Energy: 1.008478847029829
Energy: 1.0524750689156648
Energy: 1.0086204055635801
Energy: 0.9418251700841239
Energy: 0.9258657262141718
Energy: 0.889510220125834
Energy: 0.8832907608033929
Energy: 0.9728318202911774
Energy: 0.9258657262211568
Energy: 0.889510220125834
Energy: 0.8832907608033929

minimum gb energy = 0.7300734640043048 eV
minimum distance =  2.30145044102363 Angstroms
sigma value = 311


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

Energy: 0.9703857011853257
Energy: 1.0361888979238727
Energy: 1.0535121531557823
Energy: 1.035974746942903
Energy: 0.9703857011841159
Energy: 1.0361888979218563
Energy: 0.9656890764607969
Energy: 1.0413226980169263
Energy: 0.9976374414487826
Energy: 0.9088820896603147
Energy: 0.9708994232903232
Energy: 1.0413226980173296
Energy: 0.9976374414483793
Energy: 0.908882089660718
Energy: 0.9636127578445104
Energy: 0.8882653029190539
Energy: 0.9408355783212745
Energy: 0.8994697228641125
Energy: 0.9636127578449137
Energy: 0.8882653029198605
Energy: 0.9408355783240975
Energy: 0.9272429605793817
Energy: 0.9032541498778267
Energy: 0.949326833331106
Energy: 0.9646483933720772
Energy: 0.9272429605797851
Energy: 0.90325414987702
Energy: 0.9493268333315094
Energy: 0.9411329581088508
Energy: 0.9615796077208891
Energy: 1.005444761795154
Energy: 0.8877152819314236
Energy: 0.9411329581060279
Energy: 0.9615796077188726
Energy: 0.9487866672776858
Energy: 0.9763357012935522
Energy: 0.9240556361441218
Energy: 0.9543822935593035
Energy: 0.9848635454985791
Energy: 0.9763357012927456
Energy: 0.9240556361433152
Energy: 0.9543822935597068
Energy: 1.0205290804553095
Energy: 0.9536358334154181
Energy: 0.8365738259249059
Energy: 0.8652444483809832
Energy: 1.0205290804524865
Energy: 0.9536358334186444
Energy: 0.9004663233889517
Energy: 0.8967759611467927
Energy: 0.9134172983602535
Energy: 0.985253160785747
Energy: 0.903296629318293
Energy: 0.8967759611488092
Energy: 0.9134172983598502
Energy: 0.9852531607833275
Energy: 0.9739058410785776
Energy: 0.9105376692544082
Energy: 1.034697490236685
Energy: 0.914846871552681
Energy: 0.9739058410793842
Energy: 0.9105376692576344
Energy: 1.034697490235475
Energy: 0.9362124584915631
Energy: 0.8684381392596193
Energy: 0.9687637739751825
Energy: 0.9570126030547043
Energy: 0.9362124584923696
Energy: 0.8684381392559896
Energy: 0.9687637739751825
Energy: 0.95020181805119
Energy: 0.9366019159992647
Energy: 0.9903655376244248
Energy: 0.9208108149268076
Energy: 0.9502018180519965
Energy: 0.9366019159992647
Energy: 0.9903655376228117
Energy: 0.9586799505568683
Energy: 0.9542329212675653
Energy: 0.9675893726382689
Energy: 0.9563998364329557
Energy: 0.9586799505588848
Energy: 0.9542329212675653
Energy: 0.9675893726390754
Energy: 0.9729991602138803
Energy: 0.957574405960695
Energy: 1.0438255937686123
Energy: 0.9066390576239385
Energy: 0.9729991602130739
Energy: 0.9575744059582751
Energy: 1.0438255937690155
Energy: 1.005840917703608
Energy: 0.8879092503272586
Energy: 0.9454958294359791
Energy: 0.8879704125042016
Energy: 1.0058409177015917
Energy: 0.8879092503268554
Energy: 0.945495829437189
Energy: 0.9724276487108027
Energy: 0.9067196227133539
Energy: 1.0434732440079297
Energy: 0.9576904691333947
Energy: 0.9724276487108027
Energy: 0.9067196227125472
Energy: 1.0434732440079297
Energy: 0.9586065978254933
Energy: 0.9568762456768288
Energy: 0.9674957961257304
Energy: 0.9542572630105889
Energy: 0.9586065978230737
Energy: 0.9568762456744091
Energy: 0.9674957961233107
Energy: 0.9142417700274142
Energy: 0.9205214849247676
Energy: 0.9902115781738887
Energy: 0.9365520935902759
Energy: 0.9142417700266078
Energy: 0.9205214849247676
Energy: 0.9902115781726789
Energy: 0.936032560558801
Energy: 0.9567096433269539
Energy: 0.9686226941416161
Energy: 0.8681045168880858
Energy: 0.9360325605604142
Energy: 0.956709643328567
Energy: 0.9686226941428259
Energy: 0.9739424196144657
Energy: 0.9144144930276176
Energy: 1.0133860573382274
Energy: 0.9107648280135588
Energy: 0.9739424196164821
Energy: 0.9144144930260044
Energy: 1.0133860573374207
Energy: 0.8968268725349657
Energy: 0.9027426962757699
Energy: 0.9857769102097418
Energy: 0.9142249271018094
Energy: 0.8968268725333525
Energy: 0.9027426962749634
Energy: 0.9857769102101451
Energy: 0.9765209896417966
Energy: 0.8650142900530918
Energy: 1.077481518291981
Energy: 0.953853143277304
Energy: 0.9765209896421999
Energy: 0.8650142900486558
Energy: 1.0774815182944006
Energy: 0.976645688762907
Energy: 0.984898875533948
Energy: 0.954395151856742
Energy: 0.9239124597940279
Energy: 0.9766456887616973
Energy: 0.9848988755347545
Energy: 0.9543951518555321
Energy: 0.9411816797356635
Energy: 0.8876980614497691
Energy: 0.9291175525991185
Energy: 0.962614136327743
Energy: 0.9411816797340501
Energy: 0.8876980614509791
Energy: 0.9291175525991185
Energy: 0.9273680553703837
Energy: 0.9647148391147928
Energy: 0.9491448472733329
Energy: 0.9032748237399555
Energy: 0.9273680553703837
Energy: 0.9647148391155993
Energy: 0.94914484727051
Energy: 0.9635959280132945
Energy: 0.8992763585097675
Energy: 0.9760193541721326
Energy: 0.8883969830538929
Energy: 0.9635959280136978
Energy: 0.8992763585093643
Energy: 0.9760193541705194
Energy: 1.041096769625315
Energy: 0.9708390727008679
Energy: 0.9106461818090167
Energy: 0.9975955570177607
Energy: 1.041096769624912
Energy: 0.9708390727004645
Energy: 0.9106461818098233
Energy: 0.9703857011825026
Energy: 1.036188897923066
Energy: 0.9347104512982941
Energy: 1.0359747469433063
Energy: 0.9703857011829059
Energy: 1.0361888979226628
Energy: 0.9347104513015204
Energy: 1.0413226980165229
Energy: 0.9976374414483793
Energy: 0.908882089657895
Energy: 0.9708994232907264
Energy: 1.041322698017733
Energy: 0.9976374414503958
Energy: 0.9088820896599114
Energy: 0.9636127578433006
Energy: 0.8882653029210703
Energy: 0.9374571453165241
Energy: 0.8994697228641125
Energy: 0.9636127578461235
Energy: 0.8882653029198605
Energy: 0.9374571453169275
Energy: 0.9272429605818016
Energy: 0.9032541498778267
Energy: 0.9493268333307028
Energy: 0.9646483933712705
Energy: 0.9272429605797851
Energy: 0.9032541498778267
Energy: 0.949326833331106
Energy: 0.9411329581052212
Energy: 0.9615796077212924
Energy: 0.9272670972867572
Energy: 0.8877152819294072
Energy: 0.9411329581072376
Energy: 0.9615796077216957
Energy: 0.9272670972847408
Energy: 0.9763357012911325
Energy: 0.9240556361449282
Energy: 0.9543822935584969
Energy: 0.9848635454981759
Energy: 0.9763357012923425
Energy: 0.9240556361437184
Energy: 0.9543822935593035
Energy: 1.0205290804536962
Energy: 0.9536358334158214
Energy: 0.9004663233885484
Energy: 0.86524444838058
Energy: 1.0205290804553095
Energy: 0.9536358334166279
Energy: 0.9004663233897582
Energy: 0.8967759611480026
Energy: 0.9134172983598502
Energy: 0.9852531607821174
Energy: 0.9032966293190997
Energy: 0.8967759611459862
Energy: 0.9134172983582372
Energy: 0.9852531607845373
Energy: 0.9739058410781744
Energy: 0.9105376692556179
Energy: 1.0133950812970887
Energy: 0.9148468715510679
Energy: 0.9739058410797875
Energy: 0.9105376692556179
Energy: 1.0133950812970887
Energy: 0.9362124584915631
Energy: 0.8684381392584094
Energy: 0.9687637739751825
Energy: 0.9570126030534944
Energy: 0.9362124584919663
Energy: 0.8684381392580061
Energy: 0.9687637739751825

minimum gb energy = 0.8365738259249059 eV
minimum distance =  2.28838152530102 Angstroms
sigma value = 39


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

Energy: 0.9513802787636805
Energy: 1.0625250615151596
Energy: 1.0905096563892938
Energy: 1.0760555854172442
Energy: 0.9513802787646323
Energy: 1.0625250615170634
Energy: 0.8571586676470753
Energy: 1.0523483079657736
Energy: 0.8883311092690035
Energy: 0.7843833934231189
Energy: 0.8870659252420214
Energy: 1.0523483079648217
Energy: 0.888331109273763
Energy: 0.7843833934235949
Energy: 0.9513874236277339
Energy: 0.9957967069543462
Energy: 0.7764876613308661
Energy: 1.061300993146317
Energy: 0.9513874236272578
Energy: 0.9957967069514906
Energy: 0.7764876613294383
Energy: 1.0761483965265317
Energy: 0.8887091501500377
Energy: 0.7843942692967115
Energy: 0.837741326584817
Energy: 1.0761483965303393
Energy: 0.8887091501481339
Energy: 0.7843942693005191
Energy: 0.9647230977498156
Energy: 1.0610500461833527
Energy: 1.0621826194055715
Energy: 1.061144671938071
Energy: 0.9647230977526713
Energy: 1.0610500461857326
Energy: 1.0621826194046196
Energy: 1.0642551129270397
Energy: 0.7725232400268124
Energy: 1.2099136703816156
Energy: 0.8351866283095
Energy: 1.0642551129279918
Energy: 0.7725232400291923
Energy: 1.2099136703849471
Energy: 1.1179159621680943
Energy: 1.0610955280089338
Energy: 0.8891271881215941
Energy: 1.0597433593034074
Energy: 1.1179159621680943
Energy: 1.061095528008458
Energy: 0.9250071648277645
Energy: 1.0765210307548438
Energy: 0.8789065788829011
Energy: 1.2099796130447655
Energy: 0.8789574243867109
Energy: 1.0765210307519881
Energy: 0.8789065788795694
Energy: 1.209979613041477
Energy: 1.1181443769702186
Energy: 1.0597426747561574
Energy: 0.9437836529596846
Energy: 1.0611780535105821
Energy: 1.1181443769692665
Energy: 1.0597426747547296
Energy: 0.989362167569242
Energy: 1.0760693151739367
Energy: 0.8350736784201928
Energy: 1.210194294585514
Energy: 0.7724764549403297
Energy: 1.0760693151725087
Energy: 0.8350736784154332
Energy: 1.210194294587418
Energy: 0.965383285180506
Energy: 1.0611077585847537
Energy: 0.9422938857071544
Energy: 1.0610442718091306
Energy: 0.9653832851795542
Energy: 1.061107758584278
Energy: 0.903033240814133
Energy: 1.0765402168134353
Energy: 0.8378122101091503
Energy: 0.7844085384997173
Energy: 0.8883711900232734
Energy: 1.0765402168096707
Energy: 0.8378122101143858
Energy: 0.7844085384987652
Energy: 0.9517495500807374
Energy: 1.0610511598326962
Energy: 0.7910119878428749
Energy: 0.9959313579648266
Energy: 0.9517495500802614
Energy: 1.0610511598326962
Energy: 0.9076678784648736
Energy: 1.0529548197921446
Energy: 0.8872462004780968
Energy: 0.7844255927416701
Energy: 0.8882231579288298
Energy: 1.0529548197859573
Energy: 0.8872462004814284
Energy: 0.7844255927373865
Energy: 0.9513802787632046
Energy: 1.0625250615151596
Energy: 1.0140447516755238
Energy: 1.0760555854167684
Energy: 0.9513802787679642
Energy: 1.0625250615165873
Energy: 0.8571586676470753
Energy: 1.0523483079648217
Energy: 0.8883311092685275
Energy: 0.7843833934231189
Energy: 0.8870659252424974
Energy: 1.0523483079652975
Energy: 0.8883311092728111
Energy: 0.7843833934231189
Energy: 0.9513874236277339
Energy: 0.9957967069538702
Energy: 0.7764876613270585
Energy: 1.0613009931467932
Energy: 0.9513874236291616
Energy: 0.9957967069510145
Energy: 0.7764876613284862
Energy: 1.0761483965270078
Energy: 0.8887091501490857
Energy: 0.7843942692967115
Energy: 0.8377413265843413
Energy: 1.0761483965312912
Energy: 0.8887091501481339
Energy: 0.7843942693000433
Energy: 0.9647230977507676
Energy: 1.0610500461843049
Energy: 1.0621826194060475
Energy: 1.061144671937595
Energy: 0.9647230977531474
Energy: 1.0610500461852566
Energy: 1.0621826194046196
Energy: 1.0642551129270397
Energy: 0.7725232400277644
Energy: 1.2099136703801876
Energy: 0.8351866283095
Energy: 1.0642551129270397
Energy: 0.7725232400268124
Energy: 1.2099136703849471
Energy: 1.1179159621680943
Energy: 1.0610955280103618
Energy: 0.88912718812207
Energy: 1.0597433593024557
Energy: 1.1179159621680943
Energy: 1.061095528008458
Energy: 0.9542699743156008
Energy: 1.0765210307562718
Energy: 0.8789065788829011
Energy: 1.2099796130452416
Energy: 0.8789574243871868
Energy: 1.076521030751036
Energy: 0.8789065788795694
Energy: 1.209979613041477
Energy: 1.1181443769706945
Energy: 1.0597426747561574
Energy: 0.9437836529592086
Energy: 1.061178053511058
Energy: 1.1181443769692665
Energy: 1.0597426747542535
Energy: 0.989362167568766
Energy: 1.0760693151744127
Energy: 0.8350736784192409
Energy: 1.210194294584562
Energy: 0.7724764549412816
Energy: 1.0760693151725087
Energy: 0.8350736784154332
Energy: 1.210194294587418
Energy: 0.965383285180982
Energy: 1.061107758583326
Energy: 0.9422938857076305
Energy: 1.0610442718091306
Energy: 0.9653832851786023
Energy: 1.061107758583802
Energy: 0.9069086199026649
Energy: 1.0765402168129594
Energy: 0.8378122101105782
Energy: 0.7844085384992413
Energy: 0.8883711900227974
Energy: 1.0765402168106226
Energy: 0.8378122101134338
Energy: 0.7844085384987652
Energy: 0.9517495500802614
Energy: 1.0610511598312684
Energy: 0.7910119878433507
Energy: 0.9959313579667303
Energy: 0.9517495500802614
Energy: 1.0610511598326962
Energy: 0.8934344471481276
Energy: 1.0529548197911927
Energy: 0.8872462004761931
Energy: 0.7844255927416701
Energy: 0.8882231579288298
Energy: 1.052954819786909
Energy: 0.8872462004804765
Energy: 0.7844255927378624
Energy: 0.9513802787636805
Energy: 1.0625250615161113
Energy: 1.014044751675048
Energy: 1.0760555854158165
Energy: 0.9513802787641563
Energy: 1.0625250615170634
Energy: 0.8571586676465993
Energy: 1.0523483079657736
Energy: 0.8883311092675755
Energy: 0.7843833934231189
Energy: 0.8870659252424974
Energy: 1.0523483079652975
Energy: 0.8883311092732871
Energy: 0.7843833934235949

minimum gb energy = 0.7724764549403297 eV
minimum distance =  2.25916488268733 Angstroms
sigma value = 21


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

Energy: 1.09615027185829
Energy: 1.074474953835285
Energy: 0.9498181948648047
Energy: 1.0744685701382772
Energy: 1.096150271858868
Energy: 1.0744749538335516
Energy: 0.8898432652850864
Energy: 0.9787237613420753
Energy: 0.9076133472540203
Energy: 0.8906518223521072
Energy: 0.9080735006154959
Energy: 0.9787237613420753
Energy: 0.9076133472528646
Energy: 0.8906518223509516
Energy: 1.0963852384314103
Energy: 0.9500679392028919
Energy: 0.8219691980319207
Energy: 1.0389015268369985
Energy: 1.0963852384308324
Energy: 0.950067939205203
Energy: 0.8219691980313428
Energy: 0.999325578724595
Energy: 0.9098174286006432
Energy: 0.9060043107225941
Energy: 0.8754441132413366
Energy: 0.9993255787263283
Energy: 0.909817428598332
Energy: 0.9060043107225941
Energy: 0.9772144889795439
Energy: 0.7867377294855642
Energy: 0.901813763779634
Energy: 0.9284211677594056
Energy: 0.9772144889783883
Energy: 0.7867377294849865
Energy: 0.9018137637802119
Energy: 0.9987648112728977
Energy: 0.9056561412513856
Energy: 0.9596706938195119
Energy: 0.8733766637592163
Energy: 0.9987648112740534
Energy: 0.9056561412502301
Energy: 0.9596706938189342
Energy: 1.0870236745595607
Energy: 0.788975247706059
Energy: 0.9020264079011577
Energy: 0.8983244340925386
Energy: 1.087023674558983
Energy: 0.7889752477072145
Energy: 0.90202640790058
Energy: 1.0364272724270938
Energy: 0.9847411180952125
Energy: 0.9626164354406593
Energy: 0.8722311651430635
Energy: 1.036427272425938
Energy: 0.9847411180952125
Energy: 0.9626164354395037
Energy: 0.8612137507351937
Energy: 0.8739046302668757
Energy: 1.0035625437185376
Energy: 0.9592105939978456
Energy: 0.8612137507346159
Energy: 0.8739046302686091
Energy: 1.003562543720271
Energy: 1.0839200117230832
Energy: 0.9092348980981414
Energy: 0.8836988752431356
Energy: 0.8709020804395181
Energy: 1.0839200117213499
Energy: 0.9092348980998748
Energy: 0.8836988752431356
Energy: 0.9320323162785472
Energy: 0.8140502565649217
Energy: 0.9705718433230685
Energy: 0.8136909958024131
Energy: 0.9320323162785472
Energy: 0.8140502565660772
Energy: 0.9705718433236462
Energy: 0.8606321002902938
Energy: 0.97157314339964
Energy: 0.840107389444796
Energy: 0.8714171884234664
Energy: 0.860632100289716
Energy: 0.97157314339964
Energy: 0.8401073894453739
Energy: 0.9294289251832187
Energy: 0.8227032927595523
Energy: 0.9284112785576035
Energy: 0.8003011553334384
Energy: 0.9294289251849522
Energy: 0.8227032927572411
Energy: 0.9284112785581812
Energy: 0.8765273096475321
Energy: 0.9317814230062784
Energy: 0.840344382144259
Energy: 0.9061675501360804
Energy: 0.8765273096469542
Energy: 0.9317814230051229
Energy: 0.8403443821454146
Energy: 0.9891039294135732
Energy: 0.8464371893926742
Energy: 0.968047511170066
Energy: 0.7990863297679456
Energy: 0.9891039294129953
Energy: 0.8464371893915186
Energy: 0.9680475111689104
Energy: 0.8763948419643506
Energy: 0.9538990609301014
Energy: 0.9245576856170227
Energy: 0.9827879123758859
Energy: 0.876394841965506
Energy: 0.9538990609289457
Energy: 0.924557685615867
Energy: 0.9875009429963079
Energy: 0.8544860626295829
Energy: 0.8893216767102263
Energy: 0.8681380032115299
Energy: 0.9875009429968856
Energy: 0.8544860626290052
Energy: 0.8893216767108041
Energy: 0.8764341788054634
Energy: 0.9723431084064487
Energy: 0.8614140343994291
Energy: 1.006230503753342
Energy: 0.8764341788060411
Energy: 0.9723431084070265
Energy: 0.861414034400007
Energy: 1.0907535848873509
Energy: 0.8386930856246204
Energy: 0.9196725058525832
Energy: 0.866872262828991
Energy: 1.0907535848873509
Energy: 0.8386930856240427
Energy: 0.9196725058525832
Energy: 0.8793574205471753
Energy: 1.0188457352085682
Energy: 0.8256258736325268
Energy: 1.0194754938627282
Energy: 0.8793574205465974
Energy: 1.018845735206835
Energy: 0.8256258736307933
Energy: 1.0896318306053143
Energy: 0.867328808312856
Energy: 0.9206731597203992
Energy: 0.8385721132135758
Energy: 1.0896318306064698
Energy: 0.8673288083134336
Energy: 0.9206731597192437
Energy: 0.8766072571172715
Energy: 1.0073847754749752
Energy: 0.8615343898427613
Energy: 0.9723651928273968
Energy: 0.876607257118427
Energy: 1.0073847754749752
Energy: 0.8615343898416057
Energy: 0.9873645104175399
Energy: 0.7791450953017723
Energy: 0.8889535250186297
Energy: 0.8545160311450147
Energy: 0.9873645104175399
Energy: 0.7791450953011946
Energy: 0.8889535250168963
Energy: 0.8763603572048471
Energy: 0.9825292521084825
Energy: 0.9246434636940378
Energy: 0.9540208531117533
Energy: 0.8763603572036914
Energy: 0.9825292521090604
Energy: 0.9246434636946157
Energy: 0.9887632332675665
Energy: 0.7986038983422923
Energy: 0.9307521956316046
Energy: 0.8466430070165375
Energy: 0.9887632332675665
Energy: 0.7986038983417144
Energy: 0.9307521956287157

minimum gb energy = 0.7791450953011946 eV
minimum distance =  2.26267248887318 Angstroms
sigma value = 113


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

Energy: 0.870219088194186
Energy: 0.8836607781740148
Energy: 0.8121698255260412
Energy: 0.883590164657121
Energy: 0.8702190881974108
Energy: 0.8836607781998118
Energy: 0.8079992373512034
Energy: 0.961301478585495
Energy: 0.9044071506312418
Energy: 0.85015964940635
Energy: 0.899796769154018
Energy: 0.961301478585495
Energy: 0.9044071506376911
Energy: 0.85015964940635
Energy: 0.8691785293658933
Energy: -0.9826540732770572
Energy: 0.9435325203670233
Energy: 0.8240919191794241
Energy: 0.8691785293691181
Energy: -0.9824660908588175
Energy: 0.9435325203670233
Energy: 0.81788569421776
Energy: 0.8894910721555189
Energy: 0.8275700871211978
Energy: 0.9012105760246181
Energy: 0.8178856942209847
Energy: 0.8894910721555189
Energy: 0.8275700871308719
Energy: 0.8641452146004501
Energy: 0.8545909919479001
Energy: 0.9092432984733637
Energy: 0.8197775316117841
Energy: 0.8641452146004501
Energy: 0.8545909919543495
Energy: 0.9092432984733637
Energy: 0.8164566454703421
Energy: 0.8573055521999994
Energy: 0.8701853622562016
Energy: 0.8304045436445313
Energy: 0.8164566454671175
Energy: 0.8573055521935502
Energy: 0.8701853622562016
Energy: 0.8844415593228023
Energy: 0.8543897712605283
Energy: 0.963606318383834
Energy: 0.815279012258253
Energy: 0.8844415593228023
Energy: 0.8543897712573035
Energy: 0.9636063183806094
Energy: 0.8125353487267818
Energy: 0.8239389273468147
Energy: 0.9615513784257834
Energy: 0.8138854099806933
Energy: 0.8125353487267818
Energy: 0.823938927353264
Energy: 0.9615513784290082
Energy: 0.8271779534200224
Energy: 0.8890251338021469
Energy: 0.8688376501831279
Energy: 0.81646151660549
Energy: 0.8271779534232471
Energy: 0.8890251337956976
Energy: 0.8688376501831279
Energy: 0.8132240599614975
Energy: 0.8237899675260635
Energy: 0.7730825742420496
Energy: 0.831137663983748
Energy: 0.8132240599711714
Energy: 0.8237899675228388
Energy: 0.773082574238825
Energy: 0.8606070468320752
Energy: 0.8253481786088656
Energy: 0.8116128205857895
Energy: 0.8167966025245281
Energy: 0.8606070468320752
Energy: 0.8253481786056411
Energy: 0.8116128205825649
Energy: 0.8126454353006675
Energy: 0.8154354968013283
Energy: 0.9266784083885767
Energy: 0.8184135037500211
Energy: 0.8126454352909935
Energy: 0.8154354968013283
Energy: 0.9266784083950259
Energy: 0.8578206790447916
Energy: 0.8318848148312268
Energy: 0.8033885736502349
Energy: 0.815998203671944
Energy: 0.8578206790480163
Energy: 0.8318848148312268
Energy: 0.8033885736437857
Energy: -0.1016086990136158
Energy: 0.8434298071669208
Energy: 0.9031461239089823
Energy: 0.8059997312673798
Energy: -0.10160869863328413
Energy: 0.84342980717337
Energy: 0.9031461239122069
Energy: 0.8572487818489706
Energy: 0.8049172838325315
Energy: 0.7830904182809147
Energy: 0.8440356450077143
Energy: 0.8572487818554199
Energy: 0.8049172838325315
Energy: 0.7830904182712407
Energy: 0.8211595497357518
Energy: 0.8153627706290877
Energy: 1.0014253324413405
Energy: 0.8185345508771488
Energy: 0.8211595497325272
Energy: 0.8153627706290877
Energy: 1.0014253324413405
Energy: 0.830334879907508
Energy: 0.834246654631973
Energy: 0.8651327238524488
Energy: 0.8160625043928733
Energy: 0.830334879907508
Energy: 0.8342466546384224
Energy: 0.8651327238492241
Energy: 0.8128333513079676
Energy: 0.8038909555440341
Energy: 0.7665038047487087
Energy: 0.8070090970781203
Energy: 0.8128333512950692
Energy: 0.8038909555440341
Energy: 0.7665038047487087
Energy: 0.8303042913705342
Energy: 0.8342794642626742
Energy: 1.0135372348502099
Energy: 0.8564522040927722
Energy: 0.8303042913673095
Energy: 0.8342794642626742
Energy: 1.0135372348534346
Energy: 0.8531593544513832
Energy: 0.8255285963557092
Energy: 0.7237144875186875
Energy: 0.8337484754374556
Energy: 0.8531593544546079
Energy: 0.8255285963524845
Energy: 0.7237144875186875
Energy: 0.8198687266475203
Energy: 0.8227226623416567
Energy: 0.9784220327335165
Energy: 0.939004282907606
Energy: 0.8198687266539697
Energy: 0.8227226623416567
Energy: 0.978422032730292
Energy: 0.8533952075938975
Energy: 0.8194011245608549
Energy: 0.8283589264853629
Energy: 0.8281735318588558
Energy: 0.8533952075874484
Energy: 0.8194011245576303
Energy: 0.8283589264853629
Energy: 0.8196322812952395
Energy: 0.8190405943553577
Energy: 0.9505723769494668
Energy: 0.9094130899728137
Energy: 0.8196322812952395
Energy: 0.8190405943585823
Energy: 0.9505723768785835
Energy: 0.8276147798267754
Energy: 0.8753585201478651
Energy: 0.753111815201851
Energy: 0.8304702412524984
Energy: 0.8276147798235507
Energy: 0.8753585201446404
Energy: 0.753111815201851
Energy: 0.8202625254750341
Energy: 0.8883673716205407
Energy: 0.9683515066177498
Energy: 0.973254823857232
Energy: 0.8202625254718094
Energy: 0.8883673716269899
Energy: 0.9683515066209745
Energy: 0.8732005364078432
Energy: 0.7971997250390037
Energy: 0.8685861834700016
Energy: 0.770463748128416
Energy: 0.8732005364078432
Energy: 0.7971997250390037
Energy: 0.868586183466777
Energy: 0.9296328639353113
Energy: 0.8886799530194431
Energy: 0.8443867434979989
Energy: 0.8548638018758508
Energy: 0.9296328639385358
Energy: 0.8886799530162186
Energy: 0.8443867435076727
Energy: 0.8714053769397768
Energy: 0.835816166870533
Energy: 0.848579071506459
Energy: 0.8301318524990209
Energy: 0.8714053769365521
Energy: 0.835816166870533
Energy: 0.8485790715000098
Energy: 0.9317388430963232
Energy: 0.881822378530336
Energy: 0.84883060658366
Energy: 0.9733107265466702
Energy: 0.9317388430963232
Energy: 0.8818223785335605
Energy: 0.8488306065868847
Energy: 0.8713414842093686
Energy: 0.8772038800013581
Energy: 0.8306583735824488
Energy: 0.7706712553071888
Energy: 0.871341484206144
Energy: 0.8772038800013581
Energy: 0.8306583735824488
Energy: 0.941969444028941
Energy: 0.8909597587820242
Energy: 0.867646273493053
Energy: 0.9751185259273517
Energy: 0.9419694440353903
Energy: 0.8909597587852488
Energy: 0.8676462822666543
Energy: 0.8713753123707961
Energy: 0.8139909722333077
Energy: 0.7951289937661739
Energy: 0.8196093378060495
Energy: 0.8713753123675716
Energy: 0.8139909722429816
Energy: 0.7951289937855217
Energy: 0.9412840229876057
Energy: 0.8358443140683253
Energy: 0.8490830458458419
Energy: 0.8710043462246853
Energy: 0.9412840229876057
Energy: 0.8358443140651005
Energy: 0.8490830459941167
Energy: 0.9376912970334862
Energy: 0.8144766791375249
Energy: 0.8921847426797066
Energy: 0.8722751526327417
Energy: 0.9376912970399356
Energy: 0.8144766791407496
Energy: 0.892184742676482
Energy: 0.9908862671269492
Energy: 0.8293470896650431
Energy: 0.8525182625983465
Energy: 0.9262666423546262
Energy: 0.9908862671269492
Energy: 0.8293470896618185
Energy: 0.8525182625983465
Energy: 0.9371615685027661
Energy: 0.8863058341410462
Energy: 0.8496292833903892
Energy: 0.8204480947668219
Energy: 0.9371615685027661
Energy: 0.8863058341442709
Energy: 0.84962928338394
Energy: 0.9889473384546353
Energy: 0.8923754058497272
Energy: 0.8600921868240408
Energy: 0.9150097509420667
Energy: 0.9889473384514108
Energy: 0.8923754058497272
Energy: 0.8600921868143669
Energy: 0.843227439204589
Energy: 0.8871270521635557
Energy: 0.9014832922726048
Energy: 0.8275155407388096
Energy: 0.8432274392078136
Energy: 0.8871270521571649
Energy: 0.9014832922758295
Energy: 0.9885017955924239
Energy: 0.948745532866729
Energy: 0.80421827375642
Energy: 0.9315681922667565
Energy: 0.9885017955891993
Energy: 0.9487455328635044
Energy: 0.8042182737531954
Energy: 0.8432144215060722
Energy: 0.8653268378065134
Energy: 0.7554522650293158
Energy: 0.9052905300600008
Energy: 0.8432144215028475
Energy: 0.8653268378129628
Energy: 0.7554522650293158
Energy: 0.8770192604473445
Energy: 0.9202977525734216
Energy: 0.9011796120194379
Energy: 0.9316907139861349
Energy: 0.8770192604537937
Energy: 0.9202977525701971
Energy: 0.9011796119163079
Energy: 0.8428081535090064
Energy: 0.8525616767666384
Energy: 0.7425029048029974
Energy: 0.8454825649934591
Energy: 0.8428081535090064
Energy: 0.852561676769863
Energy: 0.742502904925475
Energy: -0.11357125195455008
Energy: 0.920251836470618
Energy: 0.7506646357046531
Energy: 0.9238895067978957
Energy: -0.11357124813505158
Energy: 0.9202518364641687
Energy: 0.75066463577882
Energy: 0.8317736726278901
Energy: 0.8321273141365387
Energy: 0.9551190662094594
Energy: 0.8156610088107028
Energy: 0.8317736726246655
Energy: 0.8321273141333141
Energy: 0.9551190662159086
Energy: 0.8149825575358428
Energy: 0.9201170459556185
Energy: 0.8645042001697016
Energy: 0.9116384413111881
Energy: 0.8149825575358428
Energy: 0.9201170459459446
Energy: 0.8645042001729264

minimum gb energy = -0.9826540732770572 eV
minimum distance =  2.18443179568002 Angstroms
sigma value = 365


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

Energy: 0.8279223214693614
Energy: 0.5458684445989209
Energy: 1.4481844324376467
Energy: 0.5458684445974669
Energy: 0.8279223214649992
Energy: 0.5458684445952857
Energy: 0.4433537963197913
Energy: 0.8279223214671803
Energy: 0.5458684445974669
Energy: 1.4481844324369197
Energy: 0.5458684445981938
Energy: 0.8279223214679075
Energy: 0.5458684445981938
Energy: 1.4481844324369197
Energy: 0.8279223214671803
Energy: 0.5458684445967398
Energy: 1.2604791498967345
Energy: 0.5458684445967398
Energy: 0.8279223214679075
Energy: 0.5458684445967398
Energy: 1.2604791498858618
Energy: 0.8279223214686344
Energy: 0.5458684445989209
Energy: 1.2604791498960073
Energy: 0.5458684445974669
Energy: 0.8279223214649992
Energy: 0.5458684445967398
Energy: 0.44335383519530086
Energy: 0.8279223214671803
Energy: 0.5458684445967398
Energy: 1.260479149909821
Energy: 0.5458684445981938
Energy: 0.8279223214693614
Energy: 0.5458684445974669
Energy: 1.2604791499010963
Energy: 0.8279223214671803
Energy: 0.5458684445967398
Energy: 0.6961966070451198
Energy: 0.5458684445967398
Energy: 0.8279223214679075
Energy: 0.5458684445967398
Energy: 0.6961965939730228
Energy: 0.8279223214693614
Energy: 0.5458684445981938
Energy: 0.6961966115042263
Energy: 0.5458684445974669
Energy: 0.8279223214649992
Energy: 0.5458684445960127
Energy: 0.44335386883556055
Energy: 0.8279223214664533
Energy: 0.5458684445967398
Energy: 0.6961966228256882
Energy: 0.5458684445981938
Energy: 0.8279223214693614
Energy: 0.5458684445981938
Energy: 0.6961966100835
Energy: 0.8279223214671803
Energy: 0.5458684445960127
Energy: 0.4014688035252014
Energy: 0.5458684445967398
Energy: 0.8279223214671803
Energy: 0.5458684445974669
Energy: 0.40071094713634714
Energy: 0.8279223214686344
Energy: 0.5458684445989209
Energy: 0.39129600626568517
Energy: 0.5458684445981938
Energy: 0.8279223214649992
Energy: 0.5458684445960127
Energy: 0.44335390693129156
Energy: 0.8279223214671803
Energy: 0.5458684445974669
Energy: 0.39140668053789196
Energy: 0.5458684445974669
Energy: 0.8279223214693614
Energy: 0.5458684445974669
Energy: 0.39129293380676833
Energy: 0.8279223214686344
Energy: 0.5458684445974669
Energy: 0.44335395361820196
Energy: 0.5458684445967398
Energy: 0.8279223214671803
Energy: 0.5458684445974669
Energy: 0.4433539356168048
Energy: 0.8279223214693614
Energy: 0.5458684445996479
Energy: 0.4433539657862634
Energy: 0.5458684445974669
Energy: 0.8279223214657263
Energy: 0.5458684445945586
Energy: 0.4433539481257137
Energy: 0.8279223214664533
Energy: 0.5458684445967398
Energy: 0.44335397847395697
Energy: 0.5458684445974669
Energy: 0.8279223214693614
Energy: 0.5458684445981938
Energy: 0.4433539650057909
Energy: 0.8279223214686344
Energy: 0.5458684445967398
Energy: 0.4433539915424187
Energy: 0.5458684445967398
Energy: 0.8279223214671803
Energy: 0.5458684445967398
Energy: 0.4433539705724037
Energy: 0.8279223214686344
Energy: 0.5458684445989209
Energy: 0.44335399383158886
Energy: 0.5458684445967398
Energy: 0.8279223214649992
Energy: 0.5458684445952857
Energy: 0.4433539754493904
Energy: 0.8279223214671803
Energy: 0.5458684445974669
Energy: 0.4433540092277207
Energy: 0.5458684445974669
Energy: 0.8279223214686344
Energy: 0.5458684445974669
Energy: 0.44335399410409504
Energy: 0.8279223214679075
Energy: 0.5458684445960127
Energy: 0.4433540291941294
Energy: 0.5458684445967398
Energy: 0.8279223214664533
Energy: 0.5458684445974669
Energy: 0.4433540142957855
Energy: 0.8279223214693614
Energy: 0.5458684445996479
Energy: 0.4433540358064835
Energy: 0.5458684445974669
Energy: 0.8279223214649992
Energy: 0.5458684445960127
Energy: 0.4433540142594668
Energy: 0.8279223214671803
Energy: 0.5458684445974669
Energy: 0.44335404448926935
Energy: 0.5458684445974669
Energy: 0.8279223214686344
Energy: 0.5458684445974669
Energy: 0.4433540311337277

minimum gb energy = 0.39129293380676833 eV
minimum distance =  2.40714878363312 Angstroms
sigma value = 23