Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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=3.56200759857893
cohesive_energy=4.399993240679222
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: 0.02144529556812864
Energy: 0.37481799556726514
Energy: 0.6721636427272276
Energy: 0.37279233842943515
Energy: 0.02144529556812864
Energy: 0.3748179954744302
Energy: 0.6721636427298064
Energy: 0.4140892446424089
Energy: 0.024685380671042593
Energy: 0.23373667722222025
Energy: 0.02263243354466846
Energy: 0.4140892446449877
Energy: 0.024685380668463847
Energy: 0.23373667722222025
Energy: 0.02144529556812864
Energy: 0.37481799554147766
Energy: 0.6721636427272276
Energy: 0.3727923384758526
Energy: 0.02144529556812864
Energy: 0.3748179954976389
Energy: 0.6721636427298064
Energy: 0.4140892446424089
Energy: 0.024685380671042593
Energy: 0.23373667722222025
Energy: 0.022632433547247203
Energy: 0.4140892446449877
Energy: 0.024685380668463847
Energy: 0.23373667722222025
Energy: 0.02144529556812864
Energy: 0.3748179955285839
Energy: 0.6721636427298064
Energy: 0.3727923384474864
Energy: 0.02144529556554989
Energy: 0.3748179954615365
Energy: 0.6721636427298064
Energy: 0.4140892446424089
Energy: 0.024685380671042593
Energy: 0.23373667722222025
Energy: 0.022632433547247203
Energy: 0.4140892446424089
Energy: 0.024685380668463847
Energy: 0.23373667722222025

minimum gb energy = 0.02144529556554989 eV
minimum distance =  2.49467866340765 Angstroms
sigma value = 5


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

Energy: 1.473738700487172
Energy: 1.4335641462821125
Energy: 1.450368004639285
Energy: 1.4336953821671488
Energy: 1.473738700493473
Energy: 1.4335641462821125
Energy: 1.450368004639285
Energy: 1.3310247780998696
Energy: 1.3401537680401612
Energy: 1.3675062818212818
Energy: 1.3600573834804062
Energy: 1.331024778096719
Energy: 1.3401537680496125
Energy: 1.3675062818244323
Energy: 1.302835942135167
Energy: 1.3575564712258092
Energy: 1.4725002693696612
Energy: 1.366450095313779
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Energy: 1.3575564712289594
Energy: 1.4725002693728115
Energy: 1.470886340415041
Energy: 1.3403104961701675
Energy: 1.3424289690487392
Energy: 1.3465707419123425
Energy: 1.47088634040874
Energy: 1.3403104961670174
Energy: 1.3424289690455888
Energy: 1.329177496397048
Energy: 1.293724204474815
Energy: 1.4205262456101817
Energy: 1.3781359492282879
Energy: 1.3291774963938976
Energy: 1.293724204474815
Energy: 1.4205262456038805
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Energy: 1.346240962012535
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Energy: 1.3850690371673793
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Energy: 1.3883118851025003
Energy: 1.2989677937279742
Energy: 1.377494352046112
Energy: 1.4126795445413085
Energy: 1.3889512868602507
Energy: 1.2989677937311248
Energy: 1.377494352046112
Energy: 1.4877246092012457
Energy: 1.308032700089364
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Energy: 1.3373239344951897
Energy: 1.3080327000988154
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Energy: 1.371101005798596
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Energy: 1.3731200252621603
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Energy: 1.3889548810804293
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Energy: 1.3571291074976555
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Energy: 1.3355877203184732
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Energy: 1.3797101390337987
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Energy: 1.376053137356583
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Energy: 1.4568529319174377
Energy: 1.4526207113792795
Energy: 1.480851989729038
Energy: 1.4033250379136812
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Energy: 1.4033250379105306
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Energy: 1.3901173410014205
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Energy: 1.3294279033711769
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Energy: 1.321162078518846
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Energy: 1.3592683434677688
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Energy: 1.3993455742500904
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Energy: 1.3113709183432087
Energy: 1.3448356443188132
Energy: 1.4080796801094442
Energy: 1.3351392317400201
Energy: 1.3113709183400584
Energy: 1.3448356443125125
Energy: 1.4080796801062938
Energy: 1.3158541588232644
Energy: 1.3617037526674665
Energy: 1.4210603604884249
Energy: 1.3947712870905842
Energy: 1.315854158820114
Energy: 1.361703752670617
Energy: 1.4210603604884249
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Energy: 1.3890610339910656
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Energy: 1.359939968737751
Energy: 1.3917595493056696
Energy: 1.3890610339879153
Energy: 1.390646187072512
Energy: 1.3963610036681273
Energy: 1.376532196311137
Energy: 1.4609100353330868
Energy: 1.4022858989571214
Energy: 1.3963610036744283
Energy: 1.3765321963237387
Energy: 1.4609100353299365
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Energy: 1.3380365448819311
Energy: 1.433993417376739
Energy: 1.4124713437699725
Energy: 1.4263403852547214
Energy: 1.338036544888232
Energy: 1.4339934173893405
Energy: 1.3908621449466803
Energy: 1.3760185614821576
Energy: 1.4273939306165024
Energy: 1.3515109464909771
Energy: 1.3908621449466803
Energy: 1.376018561475914
Energy: 1.4273939306196528
Energy: 1.5927124421300636
Energy: 1.3700624222897262
Energy: 1.3774347059373866
Energy: 1.4434418091246959
Energy: 1.5927124421332142
Energy: 1.3700624222834252
Energy: 1.3774347059373866
Energy: 1.4059735066555101
Energy: 1.3348837912415223
Energy: 1.3518466275898398
Energy: 1.41093391539441
Energy: 1.4059735066492094
Energy: 1.334883791247823
Energy: 1.3518466275898398
Energy: 1.318652069010794
Energy: 1.33960814772256
Energy: 1.4575112755382045
Energy: 1.3488766929877385
Energy: 1.3186520690139443
Energy: 1.33960814772256
Energy: 1.4575112755382045
Energy: 1.3352708058727543
Energy: 1.4107557916638769
Energy: 1.414275821782645
Energy: 1.3733197659957295
Energy: 1.335270805869604
Energy: 1.4107557916670275
Energy: 1.414275821782645
Energy: 1.299425460070167
Energy: 1.3825612923579582
Energy: 1.468876393252745
Energy: 1.3099187889069208
Energy: 1.2994254600638657
Energy: 1.3825612923453565
Energy: 1.4688763932464446

minimum gb energy = 1.2878019590249863 eV
minimum distance =  2.30693020870054 Angstroms
sigma value = 401


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

Energy: 1.488866710138074
Energy: 1.4468343384625018
Energy: 1.4739113154857444
Energy: 1.3579231952489488
Energy: 1.48886671014165
Energy: 1.4468343384625018
Energy: 1.4739113154857444
Energy: 1.2964961212615767
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Energy: 1.5094408658095617
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Energy: 1.4412396917110266
Energy: 1.462293853595907
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Energy: 1.3214777549690568
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Energy: 1.3584636056398396
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Energy: 1.3239209725280792
Energy: 1.4117829895414555
Energy: 1.3016236216025987
Energy: 1.3323782612800463
Energy: 1.3429905282430412
Energy: 1.3508610803065426
Energy: 1.3016236216025987
Energy: 1.33237826127647
Energy: 1.426161115777422
Energy: 1.3991134082104464
Energy: 1.354992012486786
Energy: 1.3259100960233268
Energy: 1.3530228407707254
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Energy: 1.3276932479911492
Energy: 1.2954628581509324
Energy: 1.3630598198656385
Energy: 1.3317295211188753
Energy: 1.3607001136825017
Energy: 1.2954628581437804
Energy: 1.3630598198656385
Energy: 1.3317295211224514
Energy: 1.294702826612748
Energy: 1.3598850007565702
Energy: 1.4586086733072896
Energy: 1.3230087815750844
Energy: 1.2947028266199
Energy: 1.3598850007565702
Energy: 1.507268014100715
Energy: 1.3240244721314014
Energy: 1.542342147876681
Energy: 1.40832483146761
Energy: 1.3972751678791162
Energy: 1.3240244721278251
Energy: 1.542342147876681
Energy: 1.40832483146761
Energy: 1.328901876852177
Energy: 1.3890161819071274
Energy: 1.4383759232941298
Energy: 1.3953244495895576
Energy: 1.3289018768486014
Energy: 1.3890161819107036
Energy: 1.457076809166947
Energy: 1.306604305450655
Energy: 1.3133642698066204
Energy: 1.4298085255506476
Energy: 1.406957462877431
Energy: 1.306604305450655
Energy: 1.3133642698066204
Energy: 1.4430994279576723
Energy: 1.3083162475823649
Energy: 1.3381064313527034
Energy: 1.4691341530404423
Energy: 1.413906992006135
Energy: 1.3083162475859411
Energy: 1.338106431345551
Energy: 1.4691341530368662
Energy: 1.4252788909779375
Energy: 1.4468343384660773
Energy: 1.4601841431736566
Energy: 1.3579231952525248
Energy: 1.4252788909815135
Energy: 1.4468343384625018
Energy: 1.4601841431665044
Energy: 1.2964961212580006
Energy: 1.4089742326677628
Energy: 1.4913649720010267
Energy: 1.3607382506621875
Energy: 1.2964961212615767
Energy: 1.4089742326677628
Energy: 1.4913649720010267

minimum gb energy = 1.294702826612748 eV
minimum distance =  2.31895913831375 Angstroms
sigma value = 311


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

Energy: 1.3634778452044531
Energy: 1.3262443867207674
Energy: 1.5275141161415953
Energy: 1.313143063937707
Energy: 1.363477845210647
Energy: 1.3262443867195286
Energy: 1.527514116143247
Energy: 1.41224398353629
Energy: 1.4016847436161315
Energy: 1.4548419343367924
Energy: 1.387027166333206
Energy: 1.412243983536703
Energy: 1.4016847436148927
Energy: 1.4548419343355536
Energy: 1.3322647935213008
Energy: 1.4101850549272055
Energy: 1.484045404784629
Energy: 1.417987873347644
Energy: 1.3322647935184104
Energy: 1.410185054927618
Energy: 1.4735420133877857
Energy: 1.3381807649090582
Energy: 1.3718195310608756
Energy: 1.4770312174246527
Energy: 1.3522610691824222
Energy: 1.3381807649107096
Energy: 1.37181953106294
Energy: 1.4770312174225881
Energy: 1.3754751566473649
Energy: 1.382627006814315
Energy: 1.478013105178333
Energy: 1.3549071652751594
Energy: 1.3754751566453003
Energy: 1.3826270068151407
Energy: 1.4802270075654327
Energy: 1.3163094123541208
Energy: 1.3111255604604988
Energy: 1.5078294515035497
Energy: 1.3558377132379469
Energy: 1.3163094123532948
Energy: 1.311125560460086
Energy: 1.5078294515052015
Energy: 1.3201197282291128
Energy: 1.3581702676532685
Energy: 1.3467053302763219
Energy: 1.3827295971266904
Energy: 1.3201197282299388
Energy: 1.3581702676561587
Energy: 1.341333765140311
Energy: 1.3156657328095636
Energy: 1.3684053094876636
Energy: 1.4810353061394768
Energy: 1.399957535608291
Energy: 1.3156657328112153
Energy: 1.3684053094901412
Energy: 1.4810353061423676
Energy: 1.3535054098622503
Energy: 1.3766777904034349
Energy: 1.515216184275129
Energy: 1.342978624712774
Energy: 1.3535054098610118
Energy: 1.3766777904042609
Energy: 1.5152161842755418
Energy: 1.3629255962553815
Energy: 1.3867579322005747
Energy: 1.4594788725496994
Energy: 1.3562114593272716
Energy: 1.3629255962537299
Energy: 1.3867579321947936
Energy: 1.4594788725501127
Energy: 1.4102527155397826
Energy: 1.371131147739674
Energy: 1.4627278151337622
Energy: 1.339215738058858
Energy: 1.4102527155393696
Energy: 1.3711311477380224
Energy: 1.4627278151354137
Energy: 1.4061493829805962
Energy: 1.4118252255068457
Energy: 1.3906380696074823
Energy: 1.3826708393193023
Energy: 1.4061493829797704
Energy: 1.4118252255076718
Energy: 1.3906380696054177
Energy: 1.3411387821375649
Energy: 1.3313908599126438
Energy: 1.3901214991598234
Energy: 1.376554490162731
Energy: 1.3411387821375649
Energy: 1.3313908599126438
Energy: 1.3901214991577964
Energy: 1.3239123180052972
Energy: 1.4048882274809513
Energy: 1.4731757947355058
Energy: 1.405002506792739
Energy: 1.3239123180069485
Energy: 1.4048882274826031
Energy: 1.4731757947388093
Energy: 1.3412323216795783
Energy: 1.3765298442292173
Energy: 1.3901095648284196
Energy: 1.331339951287123
Energy: 1.34123232168123
Energy: 1.376529844230043
Energy: 1.3901095648280068
Energy: 1.406094562562723
Energy: 1.3829564148262015
Energy: 1.3906483840654356
Energy: 1.4141724922818752
Energy: 1.4060945625647876
Energy: 1.382956414828266
Energy: 1.3906483840646098
Energy: 1.409943174500875
Energy: 1.3389695362504024
Energy: 1.4632076687938487
Energy: 1.3711264052448477
Energy: 1.409943174501288
Energy: 1.3389695362487506
Energy: 1.4632076687917839
Energy: 1.3628291970179232
Energy: 1.3623027867890676
Energy: 1.4595190659545507
Energy: 1.3866341386276073
Energy: 1.3628291970179232
Energy: 1.3623027867886546
Energy: 1.4595190659545507
Energy: 1.3535072269737976
Energy: 1.3427893519361225
Energy: 1.5152852104364103
Energy: 1.3766487982549667
Energy: 1.3535072269729718
Energy: 1.3427893519340577
Energy: 1.5152852104359973
Energy: 1.3156254745886113
Energy: 1.4000743301024101
Energy: 1.4411585605450876
Energy: 1.3685100870523061
Energy: 1.3156254745902631
Energy: 1.4000743301036491
Energy: 1.4411585605459136
Energy: 1.3202598927796454
Energy: 1.3826990183254875
Energy: 1.37070121474079
Energy: 1.3580434783905269
Energy: 1.3202598927763423
Energy: 1.3826990183275523
Energy: 1.3707012147366608
Energy: 1.3166830809854886
Energy: 1.3559395153452647
Energy: 1.507588753834863
Energy: 1.3112217100051606
Energy: 1.3166830809859018
Energy: 1.3559395153469167
Energy: 1.5075887538315593
Energy: 1.3753538668355705
Energy: 1.3550259870898458
Energy: 1.4104805143727717
Energy: 1.3824659814539428
Energy: 1.375353866834745
Energy: 1.3550259870890198
Energy: 1.4104805143727717
Energy: 1.338298313784191
Energy: 1.352254460896731
Energy: 1.4771825698866807
Energy: 1.3718762514087608
Energy: 1.3382983137858429
Energy: 1.3522544608913631
Energy: 1.47718256988379
Energy: 1.3322935331760672
Energy: 1.4179721653858748
Energy: 1.3975284076748276
Energy: 1.4103135400096165
Energy: 1.3322935331744155
Energy: 1.4179721653833972
Energy: 1.3975284076744146
Energy: 1.4125468519641544
Energy: 1.3871173114423325
Energy: 1.4546313952216583
Energy: 1.401599497772514
Energy: 1.412546851966219
Energy: 1.3871173114431583
Energy: 1.4546313952224843
Energy: 1.3634778452069307
Energy: 1.3262443867203544
Energy: 1.495070446691736
Energy: 1.313143063932752
Energy: 1.3634778452044531
Energy: 1.3262443867215934
Energy: 1.5142265978238914
Energy: 1.4122439835354643
Energy: 1.4016847436157185
Energy: 1.4548419343355536
Energy: 1.387027166334032
Energy: 1.4122439835350515
Energy: 1.4016847436157185
Energy: 1.4548419343367924
Energy: 1.3322647935217138
Energy: 1.410185054927618
Energy: 1.4923320823227075
Energy: 1.417987873348057
Energy: 1.3322647935204748
Energy: 1.4101850549263795
Energy: 1.4923320823185784
Energy: 1.3381807649090582
Energy: 1.3718195310612882
Energy: 1.4770312174217999
Energy: 1.3522610691832482
Energy: 1.338180764908645
Energy: 1.3718195310604626
Energy: 1.477031217423001
Energy: 1.375475156644887
Energy: 1.382627006814315
Energy: 1.495296032775037
Energy: 1.3549071652743336
Energy: 1.3754751566440613
Energy: 1.3826270068159667
Energy: 1.4952960327783404
Energy: 1.3163094123532948
Energy: 1.311125560460086
Energy: 1.5078294515043755
Energy: 1.3558377132400117
Energy: 1.3163094123532948
Energy: 1.311125560459673
Energy: 1.5078294515060273
Energy: 1.3201197282307646
Energy: 1.358170267654094
Energy: 1.3119936964218522
Energy: 1.3827295971271034
Energy: 1.3201197282278743
Energy: 1.358170267653681
Energy: 1.3119936964214394
Energy: 1.3156657328116281
Energy: 1.3684053094880764
Energy: 1.4810353061419546
Energy: 1.3999575356115943
Energy: 1.315665732812041
Energy: 1.3684053094893154
Energy: 1.481035306138651
Energy: 1.353505409860599
Energy: 1.3766777904054996
Energy: 1.5152161842763678
Energy: 1.3429786247136
Energy: 1.353505409860599
Energy: 1.3766777904038479
Energy: 1.5152161842763678
Energy: 1.362925596252491
Energy: 1.3867579321947936
Energy: 1.4594788725480479
Energy: 1.3562114593276846
Energy: 1.362925596252491
Energy: 1.38675793219851
Energy: 1.4594788725496994

minimum gb energy = 1.311125560459673 eV
minimum distance =  2.31784518572117 Angstroms
sigma value = 39


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

Energy: 1.2808615719557552
Energy: 1.3445003540156633
Energy: 1.6561306888499128
Energy: 1.34335193931569
Energy: 1.280861571964527
Energy: 1.3445003540117644
Energy: 1.6561306888494254
Energy: 1.2766427244549075
Energy: 1.423081282198791
Energy: 1.3210601171851688
Energy: 1.4173405938994603
Energy: 1.2766427244534455
Energy: 1.423081282194405
Energy: 1.3210601171876055
Energy: 1.281229662419981
Energy: 1.2236639465441614
Energy: 1.3218645644284885
Energy: 1.4564624358200335
Energy: 1.281229662409747
Energy: 1.2236639465470855
Energy: 1.3218645644270266
Energy: 1.267877991385512
Energy: 1.4229866161110585
Energy: 1.347506707062762
Energy: 1.4564362761060408
Energy: 1.2678779913806386
Energy: 1.4229866161134954
Energy: 1.347506707062762
Energy: 1.3818434704725215
Energy: 1.359641776241509
Energy: 1.436094129104893
Energy: 1.4570421724128
Energy: 1.3818434704710596
Energy: 1.3596417762527175
Energy: 1.436094129104893
Energy: 1.2552811966978652
Energy: 1.338929647121518
Energy: 1.479823731776279
Energy: 1.5460902138868333
Energy: 1.25528119669884
Energy: 1.3389296471176193
Energy: 1.4798237317767662
Energy: 1.5705483379441596
Energy: 1.3921234300139045
Energy: 1.3813940071478579
Energy: 1.401365116987725
Energy: 1.5705483379358745
Energy: 1.392123430016341
Energy: 1.381394007149807
Energy: 1.2693615517069932
Energy: 1.286248969014374
Energy: 1.4308628303516786
Energy: 1.2862229653440815
Energy: 1.2693615517074803
Energy: 1.2862489690163232
Energy: 1.430862830351191
Energy: 1.5351932658648189
Energy: 1.4015024405464012
Energy: 1.5686911200575446
Energy: 1.3880456165928565
Energy: 1.535193265866281
Energy: 1.4015024405410403
Energy: 1.5686911200580318
Energy: 1.255239435386164
Energy: 1.5480036872353344
Energy: 1.4801538554193774
Energy: 1.3357013249274146
Energy: 1.2552394353886007
Energy: 1.5480036872285556
Energy: 1.4801538554193774
Energy: 1.381775658831151
Energy: 1.4568943950262516
Energy: 1.348868579085583
Energy: 1.3479528009902917
Energy: 1.3817756588326129
Energy: 1.4568943950301503
Energy: 1.348868579085583
Energy: 1.2680535952267424
Energy: 1.4559785501092337
Energy: 1.3472637861678858
Energy: 1.423033321105214
Energy: 1.268053595223331
Energy: 1.455978550109721
Energy: 1.3472637861639867
Energy: 1.29131261452067
Energy: 1.456732422877258
Energy: 1.3682388259096225
Energy: 1.223669663646892
Energy: 1.291312614519208
Energy: 1.456732422874334
Energy: 1.3682388259091354
Energy: 1.2762097551450182
Energy: 1.4179624876414767
Energy: 1.321210714238843
Energy: 1.4232574403152052
Energy: 1.2762097551464804
Energy: 1.4179624876429389
Energy: 1.321210714244691
Energy: 1.2808615719562426
Energy: 1.3445003540142013
Energy: 1.518988812501421
Energy: 1.3433519393191016
Energy: 1.2808615719635525
Energy: 1.3445003540107898
Energy: 1.5189888125004463
Energy: 1.2766427244568568
Energy: 1.4230812821997656
Energy: 1.3210601171851688
Energy: 1.4173405939018973
Energy: 1.2766427244544203
Energy: 1.4230812821934302
Energy: 1.3210601171876055
Energy: 1.2812296624190063
Energy: 1.2236639465441614
Energy: 1.3249741126759522
Energy: 1.4564624358200335
Energy: 1.2812296624107218
Energy: 1.2236639465461108
Energy: 1.3249741126749774
Energy: 1.2678779913864868
Energy: 1.422986616113008
Energy: 1.3475067070622748
Energy: 1.4564362761045788
Energy: 1.267877991381126
Energy: 1.4229866161134954
Energy: 1.347506707063737
Energy: 1.3818434704720342
Energy: 1.359641776240047
Energy: 1.4274933018699316
Energy: 1.4570421724137745
Energy: 1.3818434704705722
Energy: 1.3596417762507682
Energy: 1.4274933018655453
Energy: 1.2552811966964033
Energy: 1.3389296471249292
Energy: 1.4798237317767662
Energy: 1.5460902138873207
Energy: 1.2552811966983526
Energy: 1.3389296471185939
Energy: 1.479823731776279
Energy: 1.5705483379431848
Energy: 1.3921234300173158
Energy: 1.3272290199928356
Energy: 1.4013651169882122
Energy: 1.5705483379344127
Energy: 1.3921234300158538
Energy: 1.3272290199928356
Energy: 1.269361551708455
Energy: 1.286248969014861
Energy: 1.4308628303487545
Energy: 1.286222965344569
Energy: 1.269361551708455
Energy: 1.2862489690153485
Energy: 1.4308628303472923
Energy: 1.535193265863357
Energy: 1.4015024405459136
Energy: 1.4937014246069187
Energy: 1.3880456165918817
Energy: 1.5351932658657936
Energy: 1.4015024405400658
Energy: 1.4937014246113045
Energy: 1.2552394353847018
Energy: 1.5480036872358216
Energy: 1.4801538554193774
Energy: 1.3357013249274146
Energy: 1.2552394353886007
Energy: 1.5480036872285556
Energy: 1.4801538554198646
Energy: 1.3817756588404104
Energy: 1.4568943950272264
Energy: 1.2982036762566886
Energy: 1.3479528009902917
Energy: 1.3817756588345622
Energy: 1.4568943950306374
Energy: 1.2982036762620492
Energy: 1.2680535952272296
Energy: 1.455978550111183
Energy: 1.3472637861673982
Energy: 1.4230333211003405
Energy: 1.2680535952243057
Energy: 1.4559785501102085
Energy: 1.3472637861649617
Energy: 1.2913126145167713
Energy: 1.456732422877258
Energy: 1.4128087420822264
Energy: 1.2236696636464046
Energy: 1.2913126145201828
Energy: 1.4567324228738467
Energy: 1.4128087420812516
Energy: 1.2762097551440437
Energy: 1.4179624876341668
Energy: 1.321210714238843
Energy: 1.423257440310332
Energy: 1.276209755147455
Energy: 1.4179624876341668
Energy: 1.3212107142432288
Energy: 1.280861571955268
Energy: 1.3445003540166378
Energy: 1.503952344711119
Energy: 1.3433519393230002
Energy: 1.2808615719630652
Energy: 1.3445003540112772
Energy: 1.5039523447135554
Energy: 1.276642724453933
Energy: 1.4230812822007404
Energy: 1.3210601171846814
Energy: 1.417340593896049
Energy: 1.2766427244529583
Energy: 1.4230812821968415
Energy: 1.3210601171876055

minimum gb energy = 1.2236639465441614 eV
minimum distance =  2.34608346061735 Angstroms
sigma value = 21


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

Energy: 1.314774349026577
Energy: 1.5166336870644535
Energy: 1.4594456205552861
Energy: 1.5165396026390623
Energy: 1.314774349023619
Energy: 1.5166336870650452
Energy: 1.4594456205558777
Energy: 1.4230844226397843
Energy: 1.2739997237278764
Energy: 1.3597605780743902
Energy: 1.2846040310780928
Energy: 1.4230844226397843
Energy: 1.273999723728468
Energy: 1.3597605780755735
Energy: 1.312846485725775
Energy: 1.4014374137771926
Energy: 1.4305513209924756
Energy: 1.3548740808763722
Energy: 1.3128464857293247
Energy: 1.4014374137771926
Energy: 1.4305513209942502
Energy: 1.472868123711943
Energy: 1.3811557196540405
Energy: 1.4644736326226917
Energy: 1.3412488873607293
Energy: 1.472868123713718
Energy: 1.3811557196575903
Energy: 1.4644736326203251
Energy: 1.3520738272932304
Energy: 1.4624534866188135
Energy: 1.2963028548669222
Energy: 1.297481465360862
Energy: 1.352073827293822
Energy: 1.462453486618222
Energy: 1.2963028548681053
Energy: 1.473055955871137
Energy: 1.4026783862176415
Energy: 1.4226169209901425
Energy: 1.3453367182194482
Energy: 1.4730559558699539
Energy: 1.4026783862194163
Energy: 1.4226169209913258
Energy: 1.3663874025345764
Energy: 1.5271126156678494
Energy: 1.3830060405604863
Energy: 1.3646173728151068
Energy: 1.3663874025345764
Energy: 1.5271126156713721
Energy: 1.3830060405598945
Energy: 1.3782986633480179
Energy: 1.3433739732433916
Energy: 1.4543023874159753
Energy: 1.3018234868070127
Energy: 1.3782986633474263
Energy: 1.3433739732439829
Energy: 1.4543023874159753
Energy: 1.4674207090977236
Energy: 1.304259899513203
Energy: 1.4436005825464662
Energy: 1.4864230482010423
Energy: 1.4674207090959486
Energy: 1.3042598995137946
Energy: 1.4436005825458746
Energy: 1.4205620241825199
Energy: 1.3594159872991252
Energy: 1.386677981010863
Energy: 1.3954249745940832
Energy: 1.4205620241813366
Energy: 1.3594159872985336
Energy: 1.3866779810096796
Energy: 1.4975442492916518
Energy: 1.4485039265643878
Energy: 1.462958566458428
Energy: 1.3122118410968917
Energy: 1.4975442492916518
Energy: 1.4485039265649795
Energy: 1.462958566457245
Energy: 1.347203848264842
Energy: 1.2850781333616044
Energy: 1.4315900172388234
Energy: 1.380739571834761
Energy: 1.3472038482654336
Energy: 1.285078133362196
Energy: 1.4315900172376401
Energy: 1.4983131829648033
Energy: 1.4325342311946976
Energy: 1.4006960403660873
Energy: 1.2966183868217704
Energy: 1.4983131829665783
Energy: 1.4325342311964724
Energy: 1.4006960403660873
Energy: 1.405174397586968
Energy: 1.3654326881573875
Energy: 1.4597853818747368
Energy: 1.4781400534289197
Energy: 1.405174397588151
Energy: 1.3654326881556125
Energy: 1.4597853818753286
Energy: 1.5008628754614843
Energy: 1.5606398690109025
Energy: 1.3738205278360387
Energy: 1.3052966381704554
Energy: 1.5008628754626678
Energy: 1.560639869006761
Energy: 1.3738205278360387
Energy: 1.3983442992041277
Energy: 1.396801244925634
Energy: 1.3412233176013368
Energy: 1.3415351217740565
Energy: 1.3983442992059025
Energy: 1.3968012449232676
Energy: 1.3412233175995618
Energy: 1.5245946343468393
Energy: 1.3621559816941735
Energy: 1.4247753017875766
Energy: 1.3053455296827945
Energy: 1.5245946343450645
Energy: 1.3621559816959483
Energy: 1.4247753017846185
Energy: 1.34100813601411
Energy: 1.3919636609365955
Energy: 1.3423793974103766
Energy: 1.362407148851685
Energy: 1.3410081360147017
Energy: 1.3919636609336643
Energy: 1.3423793974103766
Energy: 1.4724322823567697
Energy: 1.3847751172543101
Energy: 1.4181816881142744
Energy: 1.2965294295730998
Energy: 1.4724322823573612
Energy: 1.3847751172519436
Energy: 1.4181816881107248
Energy: 1.3251373996473885
Energy: 1.4584222815453114
Energy: 1.393704119632568
Energy: 1.4582475308363838
Energy: 1.3251373996485716
Energy: 1.4584222815464947
Energy: 1.3937041196290183
Energy: 1.4724317344588875
Energy: 1.2964610939836072
Energy: 1.4184901291935295
Energy: 1.3847430151719913
Energy: 1.4724317344577043
Energy: 1.2964610939836072
Energy: 1.4184901291935295
Energy: 1.341042061817264
Energy: 1.362165457697307
Energy: 1.342806498958775
Energy: 1.392549651043583
Energy: 1.3410420618148975
Energy: 1.362165457697307
Energy: 1.3428064989564086
Energy: 1.5243205827229762
Energy: 1.3056400144387041
Energy: 1.4243981449700394
Energy: 1.361532792158446
Energy: 1.5243205827235675
Energy: 1.305640014439296
Energy: 1.4243981449682643
Energy: 1.398521032832189
Energy: 1.3413831664336244
Energy: 1.3413069520553893
Energy: 1.3966183954769633
Energy: 1.3985210328327808
Energy: 1.341383166437174
Energy: 1.341306952054206
Energy: 1.50033087245108
Energy: 1.305592741319419
Energy: 1.5063126486263982
Energy: 1.554893935490163
Energy: 1.500330872452263
Energy: 1.3055927413206025
Energy: 1.5063126486228755

minimum gb energy = 1.2739997237278764 eV
minimum distance =  2.30938936911865 Angstroms
sigma value = 113


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

Energy: 1.4043824811963386
Energy: 1.5055014738102304
Energy: 1.3836242788047532
Energy: 1.4796909560054563
Energy: 1.4043824811897354
Energy: 1.5055014738036867
Energy: 1.3836242788047532
Energy: 1.4956334813837877
Energy: 1.5021905254497026
Energy: 1.4212754656622129
Energy: 1.5370617623705123
Energy: 1.4956334813870893
Energy: 1.5021905254497026
Energy: 1.421275465658911
Energy: 1.494009604319798
Energy: 1.4077431096785258
Energy: 1.3248697294723801
Energy: 1.4801558710890523
Energy: 1.4940096043131945
Energy: 1.4077431096719224
Energy: 1.3248697294624752
Energy: 1.3844917132913204
Energy: 1.4539649630760367
Energy: 1.443174724339286
Energy: 1.512414263333607
Energy: 1.3844917132880186
Energy: 1.453964963072735
Energy: 1.443174724342528
Energy: 1.5433895664857515
Energy: 1.359042270431189
Energy: 1.3368773713764155
Energy: 1.3978467975384294
Energy: 1.5433895664758466
Energy: 1.3590422704377925
Energy: 1.3170943834473245
Energy: 1.4004173424159265
Energy: 1.381945526668555
Energy: 1.4551023607580322
Energy: 1.3196838380665123
Energy: 1.4004173424093227
Energy: 1.3819455266883054
Energy: 1.4551023607547309
Energy: 1.5133279524600105
Energy: 1.3550849381901031
Energy: 1.3464175505497393
Energy: 1.3714792813460837
Energy: 1.5133279524567087
Energy: 1.3550849381901031
Energy: 1.3464175505464373
Energy: 1.350252985184488
Energy: 1.3269522508760052
Energy: 1.454293495211757
Energy: 1.3696252469727517
Energy: 1.3502529851943932
Energy: 1.3269522508727034
Energy: 1.4542934952051536
Energy: 1.5164175962387794
Energy: 1.3667002634190446
Energy: 1.3954737223502203
Energy: 1.3467223012708025
Energy: 1.5164175962453825
Energy: 1.3667002634190446
Energy: 1.3954737223502203
Energy: 1.430741922986635
Energy: 1.3373794389797613
Energy: 1.5516378810459606
Energy: 1.4198592598936344
Energy: 1.430741922986635
Energy: 1.3373794389764595
Energy: 1.551637881039357
Energy: 1.4948908697874046
Energy: 1.3918439933662081
Energy: 1.4455933355554742
Energy: 1.3216859751233556
Energy: 1.4948908698006116
Energy: 1.3918439933761135
Energy: 1.4878778288544505
Energy: 1.4315187879287248
Energy: 1.253992458522971
Energy: 1.606367882005596
Energy: 1.419557029772313
Energy: 1.4315187879320264
Energy: 1.2539924585196691
Energy: 1.606367882002294
Energy: 1.542625659288676
Energy: 1.4088931602790218
Energy: 1.5261686935916559
Energy: 1.3236035939854216
Energy: 1.5426256592820728
Energy: 1.4088931602823234
Energy: 1.5261686935916559
Energy: 1.4628018162809866
Energy: 1.445056731584232
Energy: 1.5430760676147548
Energy: 1.4258544209515367
Energy: 1.4628018162809866
Energy: 1.4450567315809304
Energy: 1.5430760676246602
Energy: 1.4774029959613064
Energy: 1.4025398450309856
Energy: 1.6227428018451477
Energy: 1.3893824620426516
Energy: 1.4774029959613064
Energy: 1.4025398450342874
Energy: 1.5713296861788206
Energy: 1.4424891322119884
Energy: 1.3360713215928395
Energy: 1.5454197236683482
Energy: 1.4230390047329757
Energy: 1.4424891322152902
Energy: 1.336071321586296
Energy: 1.5454197236683482
Energy: 1.4839947845209926
Energy: 1.3779309139822067
Energy: 1.6205550528223311
Energy: 1.3144918434233115
Energy: 1.4839947845176906
Energy: 1.3779309139756029
Energy: 1.6205550528190293
Energy: 1.4305073370062993
Energy: 1.305279891602117
Energy: 1.5478539853206685
Energy: 1.3839130245115288
Energy: 1.4305073370029975
Energy: 1.3052798916054185
Energy: 1.5478539853173667
Energy: 1.46622225820168
Energy: 1.3964933746682133
Energy: 1.4929803958231507
Energy: 1.3862347609809145
Energy: 1.46622225820168
Energy: 1.3964933746781185
Energy: 1.4929803958231507
Energy: 1.437841250070352
Energy: 1.2764978851615794
Energy: 1.457420738749291
Energy: 1.3367262236192932
Energy: 1.437841250070352
Energy: 1.2764978851714845
Energy: 1.4574207387360845
Energy: 1.4812780509181924
Energy: 1.3948408332560187
Energy: 1.4722339795992738
Energy: 1.3745249882242707
Energy: 1.481278050911589
Energy: 1.3948408332593207
Energy: 1.4722339795992738
Energy: 1.4231607996464215
Energy: 1.3147356964028916
Energy: 1.3889052677314502
Energy: 1.293668384432973
Energy: 1.423160799639818
Energy: 1.3147356964094952
Energy: 1.3889052677281484
Energy: 1.4995773580142984
Energy: 1.3837164096204044
Energy: 1.488803725754007
Energy: 1.4379644518460175
Energy: 1.499577358007695
Energy: 1.3837164096171026
Energy: 1.488803725754007
Energy: 1.440679198231421
Energy: 1.3520816717450952
Energy: 1.4411322801331763
Energy: 1.3747994798533132
Energy: 1.4406791982380247
Energy: 1.3520816717450952
Energy: 1.4411322801298747
Energy: 1.4041475964222034
Energy: 1.5042871759166705
Energy: 1.3583817944061147
Energy: 1.5251493915519818
Energy: 1.404147596428807
Energy: 1.5042871759232739
Energy: 1.3583817944028131
Energy: 1.4185303238537461
Energy: 1.3489592248816173
Energy: 1.5582230970981736
Energy: 1.3500220086794328
Energy: 1.4185303238603495
Energy: 1.3489592248816173
Energy: 1.5582230970915698
Energy: 1.638713866579505
Energy: 1.5042030140657037
Energy: 1.4016197196582136
Energy: 1.5369734088838736
Energy: 1.6387138665993155
Energy: 1.5042030140657037
Energy: 1.4016197196615154
Energy: 1.3826661025319533
Energy: 1.4476297355251095
Energy: 1.518167458217701
Energy: 1.4283298864259775
Energy: 1.3826661025286517
Energy: 1.4476297355152046
Energy: 1.5181674582077958
Energy: 1.6363005277398002
Energy: 1.4432238489688332
Energy: 1.3686761138874968
Energy: 1.5268770178693245
Energy: 1.6363005277331966
Energy: 1.443223848972135
Energy: 1.3686761138941002
Energy: 1.3974303403567936
Energy: 1.425996938324098
Energy: 1.5360498350787672
Energy: 1.353319631180103
Energy: 1.3974303403534918
Energy: 1.425996938334003
Energy: 1.5360498350754657
Energy: 1.5091166505984865
Energy: 1.4260611868936777
Energy: 1.3974991289635308
Energy: 1.511173357178362
Energy: 1.5091166506083322
Energy: 1.4260611868936777
Energy: 1.3974991289602288
Energy: 1.4192305266944019
Energy: 1.3104458749075811
Energy: 1.4434612636626454
Energy: 1.443045636015997
Energy: 1.4192305266977037
Energy: 1.310445874897736
Energy: 1.4434612636659472
Energy: 1.5202614800098855
Energy: 1.377097913437485
Energy: 1.4254976365765077
Energy: 1.4149910408467068
Energy: 1.5202614800098855
Energy: 1.377097913437485
Energy: 1.4254976365765077
Energy: 1.4206421881222044
Energy: 1.3233340253266852
Energy: 1.398144895656352
Energy: 1.328812322216082
Energy: 1.4206421881255062
Energy: 1.3233340253167802
Energy: 1.3981448956596536
Energy: 1.4326291510919684
Energy: 1.3920977054154113
Energy: 1.441456628664217
Energy: 1.4324454743568267
Energy: 1.432629151085365
Energy: 1.3920977054088077
Energy: 1.441456628664217
Energy: 1.4232516854094044
Energy: 1.3315645331237689
Energy: 1.3855517093534753
Energy: 1.3462542900075767
Energy: 1.423251685412706
Energy: 1.3315645331270707
Energy: 1.3855517093534753
Energy: 1.447892505163483
Energy: 1.3382135977195029
Energy: 1.4358548095043446
Energy: 1.4482924985612096
Energy: 1.4478925051667848
Energy: 1.3382135977096574
Energy: 1.4358548095109482
Energy: 1.4328679866472327
Energy: 1.3478966137011168
Energy: 1.3879127365846082
Energy: 1.348800508973186
Energy: 1.4328679866472327
Energy: 1.347896613697815
Energy: 1.3879127365813066
Energy: 1.4483119373194346
Energy: 1.3871301818305188
Energy: 1.5566984725267528
Energy: 1.4136912170611724
Energy: 1.4483119373194346
Energy: 1.3871301818437256
Energy: 1.5566984725300543
Energy: 1.4278326047877987
Energy: 1.4070476004492392
Energy: 1.4242509783612856
Energy: 1.374431191240787
Energy: 1.427832604784497
Energy: 1.4070476004459371
Energy: 1.4242509783612856
Energy: 1.530880930721277
Energy: 1.3950447421622878
Energy: 1.509982431314205
Energy: 1.3893505348665232
Energy: 1.5308809307245788
Energy: 1.3950447421523824
Energy: 1.509982431314205
Energy: 1.46346738743756
Energy: 1.4066416798072612
Energy: 1.6079399222418922
Energy: 1.3667174855605349
Energy: 1.4634673874309567
Energy: 1.4066416798072612
Energy: 1.6079399222385906
Energy: 1.444296874577499
Energy: 1.380577593990486
Energy: 1.5328890301571736
Energy: 1.4610918749306832
Energy: 1.4442968745675935
Energy: 1.3805775939871845
Energy: 1.5328890301538718
Energy: 1.4745680733362034
Energy: 1.4050346684190869
Energy: 1.6283347042048701
Energy: 1.316412684042616
Energy: 1.4745680733296
Energy: 1.4050346684190869
Energy: 1.628334704211474
Energy: 1.4295414287314978
Energy: 1.3535857651809184
Energy: 1.5274092912220685
Energy: 1.4206494349216297
Energy: 1.4295414287347996
Energy: 1.3535857651743153
Energy: 1.5274092912253703

minimum gb energy = 1.2539924585196691 eV
minimum distance =  2.311214075707 Angstroms
sigma value = 365


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

Energy: 1.2891150643062224
Energy: 1.2966854193705752
Energy: 1.5506330901404433
Energy: 1.296685419372064
Energy: 1.2891150643084557
Energy: 1.296685419372064
Energy: 1.5506330901411876
Energy: 1.2891150643069667
Energy: 1.296685419373553
Energy: 1.5635093186762214
Energy: 1.296685419373553
Energy: 1.2891150643047335
Energy: 1.2966854193690864
Energy: 1.4260843500434117
Energy: 1.2891150643069667
Energy: 1.2966854193690864
Energy: 1.3843652558556423
Energy: 1.2966854193690864
Energy: 1.2891150643069667
Energy: 1.2966854193728086
Energy: 1.515744348222157
Energy: 1.2891150643054778
Energy: 1.2966854193713198
Energy: 1.448550520323962
Energy: 1.2966854193728086
Energy: 1.2891150643077112
Energy: 1.296685419373553
Energy: 1.4485505196468436
Energy: 1.2891150643077112
Energy: 1.2966854193728086
Energy: 1.404828615433151
Energy: 1.2966854193728086
Energy: 1.2891150643062224
Energy: 1.2966854193683421
Energy: 1.4620408258848558
Energy: 1.2891150643069667
Energy: 1.296685419369831
Energy: 1.4591478609723885
Energy: 1.2966854193690864
Energy: 1.2891150643054778
Energy: 1.296685419373553
Energy: 1.353083424557587
Energy: 1.2891150643069667
Energy: 1.2966854193705752
Energy: 1.4393229779758407
Energy: 1.296685419372064
Energy: 1.2891150643084557
Energy: 1.296685419372064
Energy: 1.4393229770211553
Energy: 1.2891150643077112
Energy: 1.296685419373553
Energy: 1.4044747269811497
Energy: 1.296685419373553
Energy: 1.2891150643047335
Energy: 1.296685419369831
Energy: 1.4302161367522643
Energy: 1.2891150643077112
Energy: 1.2966854193690864
Energy: 1.3441298024103283
Energy: 1.2966854193690864
Energy: 1.2891150643069667
Energy: 1.2966854193728086
Energy: 1.1602253633198496
Energy: 1.2891150643062224
Energy: 1.2966854193713198
Energy: 1.3505509491735974
Energy: 1.2966854193728086
Energy: 1.2891150643077112
Energy: 1.2966854193728086
Energy: 1.3505509484622362
Energy: 1.2891150643077112
Energy: 1.2966854193728086
Energy: 1.2262783088276417
Energy: 1.296685419373553
Energy: 1.2891150643062224
Energy: 1.2966854193683421
Energy: 1.2262782218256787
Energy: 1.2891150643077112
Energy: 1.296685419369831
Energy: 1.1567049356465582
Energy: 1.296685419369831
Energy: 1.2891150643062224
Energy: 1.296685419373553
Energy: 1.3078897844486805
Energy: 1.2891150643069667
Energy: 1.2966854193705752
Energy: 1.1502176507756758
Energy: 1.296685419372064
Energy: 1.2891150643084557
Energy: 1.296685419372064
Energy: 1.1502173446236361
Energy: 1.2891150643077112
Energy: 1.296685419373553
Energy: 1.307889785047702
Energy: 1.296685419373553
Energy: 1.2891150643054778
Energy: 1.2966854193690864
Energy: 1.3078897867449466
Energy: 1.2891150643077112
Energy: 1.2966854193690864
Energy: 1.3078897905703197
Energy: 1.2966854193683421
Energy: 1.2891150643069667
Energy: 1.2966854193728086
Energy: 1.3078897878499371
Energy: 1.2891150643062224
Energy: 1.2966854193713198
Energy: 1.3078897872442496
Energy: 1.296685419373553
Energy: 1.2891150643077112
Energy: 1.296685419373553
Energy: 1.3078897856801546
Energy: 1.2891150643077112
Energy: 1.2966854193728086
Energy: 1.307889785303647
Energy: 1.2966854193728086
Energy: 1.2891150643069667
Energy: 1.2966854193690864
Energy: 1.3078897843154969
Energy: 1.2891150643069667
Energy: 1.296685419369831
Energy: 1.307889789334379
Energy: 1.2966854193690864
Energy: 1.2891150643054778
Energy: 1.296685419373553
Energy: 1.3078897872531827
Energy: 1.2891150643077112
Energy: 1.2966854193705752
Energy: 1.3078897874630075
Energy: 1.2966854193713198
Energy: 1.2891150643084557
Energy: 1.296685419372064
Energy: 1.3078897887963998
Energy: 1.2891150643069667
Energy: 1.296685419373553
Energy: 1.3078897878060163
Energy: 1.2966854193742974
Energy: 1.2891150643054778
Energy: 1.296685419369831
Energy: 1.3078897903269957

minimum gb energy = 1.1502173446236361 eV
minimum distance =  2.36303640220551 Angstroms
sigma value = 23