Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999765515327
cohesive_energy=4.440349234879022
mass=58.6934
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: 0.022136266800033364
Energy: 0.6325477993594072
Energy: 0.3497216677086741
Energy: 0.6325073722693358
Energy: 0.022136266800033364
Energy: 0.6325477993594072
Energy: 0.3497216677086741
Energy: 0.6236552824516869
Energy: 0.022410583273232268
Energy: 0.36633245062410846
Energy: 0.022426645602580234
Energy: 0.6236552824516869
Energy: 0.022410583275866938
Energy: 0.36633245062410846
Energy: 0.022136266800033364
Energy: 0.6325477993594072
Energy: 0.3497216677060394
Energy: 0.6325073722693358
Energy: 0.022136266800033364
Energy: 0.6325477993594072
Energy: 0.3497216677086741
Energy: 0.6236552824516869
Energy: 0.022410583273232268
Energy: 0.36633245062410846
Energy: 0.022426645602580234
Energy: 0.6236552824516869
Energy: 0.022410583275866938
Energy: 0.36633245062410846
Energy: 0.022136266800033364
Energy: 0.6325477993594072
Energy: 0.3497216677086741
Energy: 0.6325073722693358
Energy: 0.022136266800033364
Energy: 0.6325477993594072
Energy: 0.3497216677060394
Energy: 0.6236552824516869
Energy: 0.022410583273232268
Energy: 0.36633245062410846
Energy: 0.022426645602580234
Energy: 0.6236552824516869
Energy: 0.022410583275866938
Energy: 0.36633245062410846

minimum gb energy = 0.022136266800033364 eV
minimum distance =  2.47300266803146 Angstroms
sigma value = 5


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

Energy: 1.4589325227059253
Energy: 1.3492839186918288
Energy: 1.4323376892481323
Energy: 1.3486857996594206
Energy: 1.4589325227059253
Energy: 1.3492839186950476
Energy: 1.4323376892481323
Energy: 1.3369636742090913
Energy: 1.3469157285964315
Energy: 1.4192858907165413
Energy: 1.3685247295912566
Energy: 1.3369636742090913
Energy: 1.3469157285964315
Energy: 1.4192858907165413
Energy: 1.3288207284854834
Energy: 1.3295169540478324
Energy: 1.4102179303444955
Energy: 1.3389733827959245
Energy: 1.3288207284854834
Energy: 1.3295169540478324
Energy: 1.4102179303444955
Energy: 1.4441065561930435
Energy: 1.3552355740142457
Energy: 1.3882501300789114
Energy: 1.3688202985208038
Energy: 1.4441065561930435
Energy: 1.3552355740142457
Energy: 1.3882501300789114
Energy: 1.342978003514173
Energy: 1.3177918434764317
Energy: 1.437713659355505
Energy: 1.319130867339695
Energy: 1.342978003514173
Energy: 1.3177918434764317
Energy: 1.437713659355505
Energy: 1.386634568962762
Energy: 1.3607621189277912
Energy: 1.3914324682946089
Energy: 1.3513069649662843
Energy: 1.386634568962762
Energy: 1.3607621189277912
Energy: 1.3914324682946089
Energy: 1.324610751374467
Energy: 1.353704163885412
Energy: 1.4160013365373363
Energy: 1.3487436103423949
Energy: 1.324610751374467
Energy: 1.353704163885412
Energy: 1.4160013365405553
Energy: 1.3257654728883146
Energy: 1.328065985652265
Energy: 1.363074359108235
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Energy: 1.411036782989959
Energy: 1.340217859811514
Energy: 1.3061413208656787
Energy: 1.366922279954178
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Energy: 1.3471007036445244
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Energy: 1.4682252106460965
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Energy: 1.3383072887134226
Energy: 1.345743991543133
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Energy: 1.3906400265638488
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Energy: 1.3339431010084097
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Energy: 1.38019128556534
Energy: 1.3707994349376442
Energy: 1.4593489974759941
Energy: 1.4275721370725463
Energy: 1.38019128556534
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Energy: 1.3545847446459778
Energy: 1.329643656259959
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Energy: 1.347626764996347
Energy: 1.372031192561526
Energy: 1.3558335768814485
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Energy: 1.347626764996347
Energy: 1.3720311925583075
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Energy: 1.4055970855725117
Energy: 1.3874412121105981
Energy: 1.368495960143874
Energy: 1.4064539491090395
Energy: 1.4055970855725117
Energy: 1.3874412121105981
Energy: 1.341540560731948
Energy: 1.3635629504300606
Energy: 1.3927675988681274
Energy: 1.3659855316825886
Energy: 1.341540560731948
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Energy: 1.3927675988681274
Energy: 1.3276209522927778
Energy: 1.319686972253582
Energy: 1.4678674824475118
Energy: 1.3714652351554744
Energy: 1.3276209522927778
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Energy: 1.3652628181609778
Energy: 1.339911700826377
Energy: 1.4190367222412077
Energy: 1.3666636327313493
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Energy: 1.339911700826377
Energy: 1.4190367222444265
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Energy: 1.319060496668838
Energy: 1.4528299141957117
Energy: 1.3173408672437925
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Energy: 1.452829914192493
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Energy: 1.4401135807405974
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Energy: 1.371598358068082
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Energy: 1.324846147041786
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Energy: 1.3332820583783878
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Energy: 1.3323862554150596
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Energy: 1.3772947825083404
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Energy: 1.348378209239723
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Energy: 1.3458941074292419
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Energy: 1.348378209239723
Energy: 1.4006410205831867
Energy: 1.3479088475656364
Energy: 1.3478794615008962
Energy: 1.4197406763179128
Energy: 1.393880811047013
Energy: 1.3479088475656364
Energy: 1.3478794615008962
Energy: 1.4197406763179128
Energy: 1.416071740961929
Energy: 1.3247153439642145
Energy: 1.3915466087539734
Energy: 1.337759244903419
Energy: 1.416071740961929
Energy: 1.3247153439642145
Energy: 1.3915466087539734
Energy: 1.3979487758730538
Energy: 1.4142953355609342
Energy: 1.3511087077113257
Energy: 1.405054239320159
Energy: 1.397948775869835
Energy: 1.4142953355609342
Energy: 1.3511087077113257
Energy: 1.392033629117741
Energy: 1.3506570444737058
Energy: 1.4816601329671257
Energy: 1.3244937390641607
Energy: 1.392033629117741
Energy: 1.3506570444737058
Energy: 1.4816601329671257
Energy: 1.3240307014774808
Energy: 1.3344743561379984
Energy: 1.4808817989608998
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Energy: 1.3240307014774808
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Energy: 1.4808817989608998
Energy: 1.342176106175041
Energy: 1.3991450544717317
Energy: 1.4507992060410912
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Energy: 1.3991450544749504
Energy: 1.4507992060443102
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Energy: 1.3385640049660088
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Energy: 1.34690015585244
Energy: 1.378276028949133
Energy: 1.3385640049660088
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Energy: 1.3387725573715221
Energy: 1.4485899131695101
Energy: 1.3264185136879705
Energy: 1.3467725345848967
Energy: 1.3387725573715221
Energy: 1.4485899131695101
Energy: 1.3552940730059766
Energy: 1.3276432626503938
Energy: 1.3592380701881237
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Energy: 1.3552940730059766
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Energy: 1.3592380701881237
Energy: 1.324684334427542
Energy: 1.3317915673699943
Energy: 1.4093641218803736
Energy: 1.3313089056741088
Energy: 1.324684334427542
Energy: 1.3317915673699943
Energy: 1.4093641218803736
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Energy: 1.3845338215654228
Energy: 1.3509336363417355
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Energy: 1.3466948721054053
Energy: 1.384533821562204
Energy: 1.30629156014956
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Energy: 1.3731579436582013
Energy: 1.340745055846402
Energy: 1.30629156014956
Energy: 1.3670047845119768
Energy: 1.3731579436582013
Energy: 1.3271701306807018
Energy: 1.3355615422100409
Energy: 1.4710425178733157
Energy: 1.315386680319198
Energy: 1.3271701306807018
Energy: 1.3355615422100409
Energy: 1.4710425178733157
Energy: 1.3848750395676541
Energy: 1.3678920025112322
Energy: 1.3882992371770408
Energy: 1.368527252107538
Energy: 1.3848750395676541
Energy: 1.3678920025112322
Energy: 1.3882992371770408
Energy: 1.4047897698693206
Energy: 1.3535967241336522
Energy: 1.3993097283537317
Energy: 1.3503219275093437
Energy: 1.4047897698693206
Energy: 1.3535967241336522
Energy: 1.3993097283537317
Energy: 1.4035177004999915
Energy: 1.3499555593615606
Energy: 1.3676650806155395
Energy: 1.4052765506863212
Energy: 1.4035177004999915
Energy: 1.3499555593615606
Energy: 1.3676650806155395
Energy: 1.4041667616858768
Energy: 1.3298957045059783
Energy: 1.3536681562608248
Energy: 1.3514836513424524
Energy: 1.4041667616858768
Energy: 1.3298957045059783
Energy: 1.3536681562608248
Energy: 1.4590923840959293
Energy: 1.3673898135967324
Energy: 1.3790958221628993
Energy: 1.4215358366176867
Energy: 1.4590923840959293
Energy: 1.3673898135935136
Energy: 1.3790958221628993
Energy: 1.3969717842142377
Energy: 1.3492738503370456
Energy: 1.4280829060439055
Energy: 1.330253009354555
Energy: 1.3969717842142377
Energy: 1.3492738503370456
Energy: 1.4280829060439055
Energy: 1.306565264779425
Energy: 1.3604335962144463
Energy: 1.4684919583870661
Energy: 1.3599831049792594
Energy: 1.306565264779425
Energy: 1.3604335962144463
Energy: 1.4684919583870661
Energy: 1.3420270143608026
Energy: 1.407784072871144
Energy: 1.4556678748110345
Energy: 1.4086819349751563
Energy: 1.3420270143608026
Energy: 1.407784072871144
Energy: 1.4556678748110345
Energy: 1.3058918142579266
Energy: 1.339017010916827
Energy: 1.4234506542116554
Energy: 1.3396894881423707
Energy: 1.3058918142579266
Energy: 1.339017010916827
Energy: 1.4234506542116554

minimum gb energy = 1.3058918142579266 eV
minimum distance =  2.21177017754634 Angstroms
sigma value = 401


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

Energy: 1.43027617214654
Energy: 1.3849388011318342
Energy: 1.4087362378250472
Energy: 1.3815374046596762
Energy: 1.43027617214654
Energy: 1.3849388011318342
Energy: 1.4087362378250472
Energy: 1.3249710202977851
Energy: 1.3384943912881389
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Energy: 1.3698079118589193
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Energy: 1.3384943912881389
Energy: 1.3903877661515145
Energy: 1.324315308626093
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Energy: 1.3570050561301736
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Energy: 1.4447084939391648
Energy: 1.3423173846360255
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Energy: 1.3528081076425504
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Energy: 1.3408540543856902
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Energy: 1.41995763658606
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Energy: 1.3811791729965825
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Energy: 1.332766492025601
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Energy: 1.3630818691912103
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Energy: 1.3759176506930046
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Energy: 1.332766492025601
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Energy: 1.4242422762274027
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Energy: 1.3568970433169636
Energy: 1.3863228120880207
Energy: 1.448121114409855
Energy: 1.3239508642820648
Energy: 1.3514497830615395
Energy: 1.4576869404805792
Energy: 1.3540441682476094
Energy: 1.3239508642820648
Energy: 1.351449783057886
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Energy: 1.3477504455015097
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Energy: 1.3549927322973543
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Energy: 1.3477504455015097
Energy: 1.451743910935944
Energy: 1.43027617214654
Energy: 1.3849388011318342
Energy: 1.378482384736763
Energy: 1.3815374046633297
Energy: 1.43027617214654
Energy: 1.3849388011318342
Energy: 1.3784823847331094
Energy: 1.3249710202977851
Energy: 1.3384943912881389
Energy: 1.3903877661515145
Energy: 1.3698079118589193
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Energy: 1.3384943912881389
Energy: 1.3903877661515145
Energy: 1.324315308626093
Energy: 1.3520286769658203
Energy: 1.4452114726532903
Energy: 1.3561488529861205
Energy: 1.324315308626093
Energy: 1.3520286769658203
Energy: 1.445211472656944
Energy: 1.3570050561301736
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Energy: 1.3570050561301736
Energy: 1.3746448798415498
Energy: 1.4447084939391648
Energy: 1.3569075397308028
Energy: 1.3528081076425504
Energy: 1.4465486887984444
Energy: 1.3408540543856902
Energy: 1.3569075397344568
Energy: 1.3528081076425504
Energy: 1.4465486887984444
Energy: 1.3243920438391623
Energy: 1.342975548321061
Energy: 1.41995763658606
Energy: 1.3511552360435852
Energy: 1.3243920438391623
Energy: 1.342975548321061
Energy: 1.41995763658606
Energy: 1.348023660954472
Energy: 1.3811791729965825
Energy: 1.353505123432595
Energy: 1.348238318562718
Energy: 1.348023660954472
Energy: 1.3811791729965825
Energy: 1.3810127555253984
Energy: 1.3492127337985858
Energy: 1.332766492025601
Energy: 1.3476654440511993
Energy: 1.3630818691912103
Energy: 1.3492127337985858
Energy: 1.332766492025601
Energy: 1.376276436350094
Energy: 1.3243864113875796
Energy: 1.3412221228629055
Energy: 1.4317879973394885
Energy: 1.3434418921640734
Energy: 1.3243864113875796
Energy: 1.3412221228629055
Energy: 1.4317879973394885
Energy: 1.357426331652317
Energy: 1.41749570997052
Energy: 1.412018078895686
Energy: 1.3371095556006318
Energy: 1.3574263316559707
Energy: 1.4174957099741736
Energy: 1.412018078895686
Energy: 1.3568970433169636
Energy: 1.4106846306518555
Energy: 1.4481211144062014
Energy: 1.3371779170701172
Energy: 1.3568970433169636
Energy: 1.4106846306518555
Energy: 1.448121114409855
Energy: 1.3232420087203147
Energy: 1.351449783057886
Energy: 1.4462652086981704
Energy: 1.3540441682476094
Energy: 1.3232420087203147
Energy: 1.351449783057886
Energy: 1.4462652086981704
Energy: 1.3344697882801475
Energy: 1.3477504455015097
Energy: 1.451743910935944
Energy: 1.3549927322973543
Energy: 1.3344697882801475
Energy: 1.3477504455015097
Energy: 1.451743910935944
Energy: 1.3337878987363008
Energy: 1.3849388011318342
Energy: 1.3784823847331094
Energy: 1.3815374046596762
Energy: 1.3337878987363008
Energy: 1.3849388011318342
Energy: 1.3784823847331094
Energy: 1.3249710202977851
Energy: 1.3384943912881389
Energy: 1.3903877661515145
Energy: 1.3642361688071067
Energy: 1.3249710202977851
Energy: 1.3384943912881389
Energy: 1.3903877661442072

minimum gb energy = 1.3178486336241646 eV
minimum distance =  2.21483670246072 Angstroms
sigma value = 311


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

Energy: 1.4278957595851283
Energy: 1.36970187324433
Energy: 1.4831357903451632
Energy: 1.3703100249783884
Energy: 1.4278957595851283
Energy: 1.369701873243908
Energy: 1.4831357903451632
Energy: 1.4131300625662873
Energy: 1.3649295521233191
Energy: 1.4232815082734809
Energy: 1.403486427803969
Energy: 1.4131300625662873
Energy: 1.3649295521237412
Energy: 1.4232815082734809
Energy: 1.3841276974736143
Energy: 1.4185755531438478
Energy: 1.4387220377736851
Energy: 1.397219926554588
Energy: 1.3841276974740364
Energy: 1.4185755531442696
Energy: 1.438722037774107
Energy: 1.3788991792466356
Energy: 1.3539384543778545
Energy: 1.455503660939436
Energy: 1.365115120474183
Energy: 1.3788991792466356
Energy: 1.3539384543774329
Energy: 1.455503660939436
Energy: 1.4189782209658843
Energy: 1.3793633390875684
Energy: 1.493806179858003
Energy: 1.4136203894212442
Energy: 1.4189782209658843
Energy: 1.3793633390875684
Energy: 1.4938061798588465
Energy: 1.3629079568011078
Energy: 1.3517854838560357
Energy: 1.4305008294321397
Energy: 1.3966633600161407
Energy: 1.362907956800264
Energy: 1.3517854838560357
Energy: 1.4305008294329833
Energy: 1.390144805899459
Energy: 1.3747388717488362
Energy: 1.3987048824800343
Energy: 1.4034513439187624
Energy: 1.3901448058990369
Energy: 1.374738871747992
Energy: 1.3951896034766953
Energy: 1.3629581247206513
Energy: 1.3703251516559045
Energy: 1.4806611820205438
Energy: 1.3659536655031073
Energy: 1.362958124721073
Energy: 1.3703251516554824
Energy: 1.4806611820201216
Energy: 1.4014087012113605
Energy: 1.3622873763884098
Energy: 1.4808325349192624
Energy: 1.3665932011404869
Energy: 1.4014087012113605
Energy: 1.3622873763900976
Energy: 1.4808325349205282
Energy: 1.3701273288763867
Energy: 1.411844896092665
Energy: 1.451370369572827
Energy: 1.3711521595305483
Energy: 1.3701273288772307
Energy: 1.411844896092243
Energy: 1.4513703695724056
Energy: 1.4344889327338264
Energy: 1.431611729571043
Energy: 1.4306934160087146
Energy: 1.3420184968774167
Energy: 1.4344889327334043
Energy: 1.4316117295714652
Energy: 1.4306934160087146
Energy: 1.4211699702205263
Energy: 1.412804592293285
Energy: 1.4358442771842672
Energy: 1.4079584568544856
Energy: 1.4211699702209482
Energy: 1.412804592292863
Energy: 1.4358442771867983
Energy: 1.3986756227784205
Energy: 1.3539651996400541
Energy: 1.4619215803954473
Energy: 1.3633260874903987
Energy: 1.3986756227784205
Energy: 1.3539651996387885
Energy: 1.4619215803954473
Energy: 1.3844973286269642
Energy: 1.4051995531483121
Energy: 1.4344647719316683
Energy: 1.4175500901637033
Energy: 1.3844973286273863
Energy: 1.4051995531470465
Energy: 1.4344647719316683
Energy: 1.4358249411832331
Energy: 1.3565111011046562
Energy: 1.4650556126917702
Energy: 1.342357404837034
Energy: 1.4358249411819675
Energy: 1.3565111011054998
Energy: 1.4650556126909264
Energy: 1.4165067778342335
Energy: 1.3951829333814214
Energy: 1.4471344754108721
Energy: 1.4144035877925782
Energy: 1.4165067778350773
Energy: 1.3951829333809993
Energy: 1.44713447541045
Energy: 1.4179338303398985
Energy: 1.3524411147714137
Energy: 1.4137504424735756
Energy: 1.4075947554088142
Energy: 1.4179338303398985
Energy: 1.3524411147726796
Energy: 1.4137504424731535
Energy: 1.3688324787409405
Energy: 1.3743807802271166
Energy: 1.4015016702306466
Energy: 1.4099171157335606
Energy: 1.3688324787409405
Energy: 1.3743807802275385
Energy: 1.4015016702293808
Energy: 1.3630164240687217
Energy: 1.3708782735566503
Energy: 1.430880565758196
Energy: 1.365958485649838
Energy: 1.3630164240687217
Energy: 1.3708782735558065
Energy: 1.430880565758196
Energy: 1.3812138937852279
Energy: 1.361998232992447
Energy: 1.412514924546886
Energy: 1.366151023184153
Energy: 1.381213893784806
Energy: 1.3619982329916034
Energy: 1.412514924547308
Energy: 1.3909547157270081
Energy: 1.405537556460442
Energy: 1.4611576993657314
Energy: 1.3717672366290068
Energy: 1.3909547157270081
Energy: 1.4055375564595984
Energy: 1.4611576993657314
Energy: 1.382891866048869
Energy: 1.3875299758845447
Energy: 1.4299090436207045
Energy: 1.3414398416280011
Energy: 1.3828918660492906
Energy: 1.3875299758841229
Energy: 1.4299090436202826
Energy: 1.419074432736746
Energy: 1.40194725240714
Energy: 1.4094099599922867
Energy: 1.3795480602566454
Energy: 1.419074432736746
Energy: 1.401947252406718
Energy: 1.4094099599927086
Energy: 1.3632134719277131
Energy: 1.3526901637209534
Energy: 1.4663547083080006
Energy: 1.3616014598419255
Energy: 1.3632134719268696
Energy: 1.3526901637213748
Energy: 1.4663547083080006
Energy: 1.38379844577632
Energy: 1.371065879784986
Energy: 1.4983656922672457
Energy: 1.4081397543606609
Energy: 1.38379844577632
Energy: 1.3710658797845645
Energy: 1.4585966493113458
Energy: 1.4362492167653453
Energy: 1.363373042722764
Energy: 1.4371669116304302
Energy: 1.3440982046454086
Energy: 1.4362492167653453
Energy: 1.363373042722764
Energy: 1.437166911630008
Energy: 1.4353045245406688
Energy: 1.378230961278564
Energy: 1.464977594367485
Energy: 1.3701011813241664
Energy: 1.4353045245406688
Energy: 1.3782309612789858
Energy: 1.464977594367907
Energy: 1.4402420969882668
Energy: 1.402056189468159
Energy: 1.3890570286574282
Energy: 1.4060488672469535
Energy: 1.4402420969878447
Energy: 1.402056189468159
Energy: 1.3890570286574282
Energy: 1.3943797996504614
Energy: 1.4214689582187723
Energy: 1.4721295322238175
Energy: 1.3709633442091393
Energy: 1.394379799650883
Energy: 1.4214689582187723
Energy: 1.472129532222974
Energy: 1.3626631552879833
Energy: 1.3836267527947421
Energy: 1.4550238699794769
Energy: 1.345450230784598
Energy: 1.3626631552875617
Energy: 1.3836267527938986
Energy: 1.4550238699798983
Energy: 1.406075745620019
Energy: 1.3793599551340934
Energy: 1.4646216584989917
Energy: 1.4008153336335007
Energy: 1.4060757456195971
Energy: 1.3793599551340934
Energy: 1.4646216584981475
Energy: 1.3812886448786506
Energy: 1.3412351472274888
Energy: 1.407287255537176
Energy: 1.3442985107876488
Energy: 1.3812886448786506
Energy: 1.3412351472270672
Energy: 1.4072872555375977
Energy: 1.3877146256890593
Energy: 1.3936524709856373
Energy: 1.3970190263928692
Energy: 1.418319963734025
Energy: 1.3877146256890593
Energy: 1.3936524709860592
Energy: 1.397019026393291
Energy: 1.3815206780392757
Energy: 1.3705227199608208
Energy: 1.486186518248631
Energy: 1.3689383989309731
Energy: 1.3815206780388538
Energy: 1.3705227199608208
Energy: 1.486186518249475
Energy: 1.364377979276771
Energy: 1.3622331079246643
Energy: 1.4809505617862406
Energy: 1.3870336095725253
Energy: 1.3643779792763493
Energy: 1.3622331079246643
Energy: 1.4809505617870844
Energy: 1.3691588883756958
Energy: 1.4153985134292137
Energy: 1.4558102606222638
Energy: 1.3710422138674072
Energy: 1.3691588883765393
Energy: 1.4153985134287919
Energy: 1.4558102606218417

minimum gb energy = 1.3412351472270672 eV
minimum distance =  2.23504344161351 Angstroms
sigma value = 39


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

Energy: 1.374149767874281
Energy: 1.400836051461849
Energy: 1.488107204141519
Energy: 1.400798158134539
Energy: 1.3741497678712935
Energy: 1.4008360514603555
Energy: 1.4881072041440089
Energy: 1.3567257756978361
Energy: 1.4072732598487316
Energy: 1.3464357452803088
Energy: 1.407014847226513
Energy: 1.3567257756978361
Energy: 1.4072732598492297
Energy: 1.3464357452818028
Energy: 1.3741257788203336
Energy: 1.2854322068633544
Energy: 1.4118845766920445
Energy: 1.3551924983838708
Energy: 1.3741257788183419
Energy: 1.2854322068633544
Energy: 1.4118845766920445
Energy: 1.3710723183023372
Energy: 1.407254264303175
Energy: 1.3467513067409274
Energy: 1.4164739056984497
Energy: 1.371072318302835
Energy: 1.407254264303175
Energy: 1.3467513067414254
Energy: 1.4429991634266728
Energy: 1.358367978464161
Energy: 1.355832977273077
Energy: 1.3552077084385024
Energy: 1.4429991634276684
Energy: 1.3583679784636629
Energy: 1.3558329772745707
Energy: 1.3712279290402896
Energy: 1.3806074109510649
Energy: 1.4565940608046464
Energy: 1.4163416801916118
Energy: 1.3712279290402896
Energy: 1.3806074109520605
Energy: 1.4565940608046464
Energy: 1.4956768404299412
Energy: 1.3578748341341462
Energy: 1.3886269127934452
Energy: 1.3576077941070774
Energy: 1.4956768404309368
Energy: 1.3578748341331501
Energy: 1.3886269127934452
Energy: 1.3857211388307644
Energy: 1.3134563641333639
Energy: 1.5156115466676836
Energy: 1.313385760821271
Energy: 1.3857211388307644
Energy: 1.3134563641333639
Energy: 1.5156115466661897
Energy: 1.4953406191045155
Energy: 1.3575467902048257
Energy: 1.4101151512661427
Energy: 1.35807285679092
Energy: 1.4953406191055112
Energy: 1.3575467902068175
Energy: 1.4101151512661427
Energy: 1.3712643484906106
Energy: 1.4166891615320187
Energy: 1.4566631774114163
Energy: 1.380567287566041
Energy: 1.3712643484916065
Energy: 1.4166891615320187
Energy: 1.4566631774114163
Energy: 1.4429721607889012
Energy: 1.3553364668038743
Energy: 1.4132072477429611
Energy: 1.3581562634932238
Energy: 1.4429721607893993
Energy: 1.3553364668038743
Energy: 1.413207247749932
Energy: 1.3711608566555573
Energy: 1.416586487565814
Energy: 1.3465695479562854
Energy: 1.4072084008980632
Energy: 1.3711608566570508
Energy: 1.4165864875643206
Energy: 1.3465695479547917
Energy: 1.374108278837902
Energy: 1.3553073513769551
Energy: 1.4236677630659433
Energy: 1.2854634239033214
Energy: 1.3741082788383998
Energy: 1.355307351377951
Energy: 1.4236677630664412
Energy: 1.356985467356729
Energy: 1.407298053115039
Energy: 1.346801147991413
Energy: 1.407240301299931
Energy: 1.356985467355235
Energy: 1.407298053115537
Energy: 1.346801147990915
Energy: 1.3741497678732852
Energy: 1.400836051462347
Energy: 1.4624951777433695
Energy: 1.400798158135037
Energy: 1.3741497678707955
Energy: 1.4008360514608533
Energy: 1.4624951777428714
Energy: 1.356725775698334
Energy: 1.4072732598487316
Energy: 1.346435745279811
Energy: 1.407014847226015
Energy: 1.3567257756978361
Energy: 1.4072732598497273
Energy: 1.3464357452818028
Energy: 1.3741257788198358
Energy: 1.2854322068638522
Energy: 1.4118845766915464
Energy: 1.3551924983833732
Energy: 1.3741257788183419
Energy: 1.2854322068638522
Energy: 1.4118845766920445
Energy: 1.371072318302835
Energy: 1.4072542643026769
Energy: 1.3467513067409274
Energy: 1.4164739056984497
Energy: 1.371072318302835
Energy: 1.4072542643026769
Energy: 1.3467513067419232
Energy: 1.442999163425677
Energy: 1.358367978464161
Energy: 1.355832977273575
Energy: 1.3552077084509049
Energy: 1.442999163425677
Energy: 1.3583679784636629
Energy: 1.3558329772745707
Energy: 1.3712279290402896
Energy: 1.380607410950567
Energy: 1.4565940608046464
Energy: 1.4163416801921098
Energy: 1.3712279290397917
Energy: 1.3806074109525586
Energy: 1.4565940608046464
Energy: 1.4956768404294432
Energy: 1.3578748341341462
Energy: 1.3389520137176176
Energy: 1.357607794108073
Energy: 1.4956768404299412
Energy: 1.3578748341331501
Energy: 1.3389520137161242
Energy: 1.3857211388312622
Energy: 1.3134563641333639
Energy: 1.5156115466676836
Energy: 1.313385760821271
Energy: 1.3857211388317603
Energy: 1.3134563641328663
Energy: 1.5156115466666877
Energy: 1.4953406191055112
Energy: 1.3575467902053238
Energy: 1.36972130912746
Energy: 1.35807285679092
Energy: 1.4953406191055112
Energy: 1.3575467902063194
Energy: 1.3697213091279579
Energy: 1.3712643484906106
Energy: 1.4166891615320187
Energy: 1.4566631774114163
Energy: 1.380567287566041
Energy: 1.3712643484911087
Energy: 1.4166891615330144
Energy: 1.4566631774109182
Energy: 1.4429721607893993
Energy: 1.3553364668063639
Energy: 1.3328114665568676
Energy: 1.3581562634932238
Energy: 1.4429721607908927
Energy: 1.3553364668023806
Energy: 1.3328114665593576
Energy: 1.3711608566560551
Energy: 1.416586487565814
Energy: 1.3465695479562854
Energy: 1.4072084008980632
Energy: 1.3711608566570508
Energy: 1.4165864875643206
Energy: 1.3465695479547917
Energy: 1.3741082788383998
Energy: 1.3553073513764575
Energy: 1.415765348083164
Energy: 1.2854634239033214
Energy: 1.3741082788388979
Energy: 1.3553073513774532
Energy: 1.415765348083164
Energy: 1.356985467356231
Energy: 1.407298053115537
Energy: 1.346801147991413
Energy: 1.407240301299433
Energy: 1.356985467355733
Energy: 1.407298053115537
Energy: 1.346801147990915
Energy: 1.3741497678762724
Energy: 1.400836051461849
Energy: 1.4450833064074107
Energy: 1.4007981581340412
Energy: 1.3741497678737828
Energy: 1.4008360514603555
Energy: 1.4450833064059172
Energy: 1.356725775698334
Energy: 1.4072732598487316
Energy: 1.346435745280807
Energy: 1.407014847226015
Energy: 1.356725775698334
Energy: 1.4072732598497273
Energy: 1.3464357452818028

minimum gb energy = 1.2854322068633544 eV
minimum distance =  2.28639079313103 Angstroms
sigma value = 21


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

Energy: 1.4268290515716164
Energy: 1.4672196458920626
Energy: 1.5391177154969444
Energy: 1.4667473087957799
Energy: 1.4268290515716164
Energy: 1.467219645891458
Energy: 1.5391177154969444
Energy: 1.4565183771493393
Energy: 1.3707944300715553
Energy: 1.4006643897318163
Energy: 1.3706160555972886
Energy: 1.4565183771493393
Energy: 1.3707944300715553
Energy: 1.4006643897312119
Energy: 1.4270978274418622
Energy: 1.3564283681327578
Energy: 1.4281978481838915
Energy: 1.3649890792362909
Energy: 1.4270978274418622
Energy: 1.3564283681327578
Energy: 1.4281978481838915
Energy: 1.4570298642840789
Energy: 1.370801512948966
Energy: 1.3626931255710697
Energy: 1.3760784350954407
Energy: 1.4570298642846833
Energy: 1.370801512948966
Energy: 1.3626931255704655
Energy: 1.3678126036552472
Energy: 1.3377410482570673
Energy: 1.4088106434303038
Energy: 1.3386882773959403
Energy: 1.3678126036552472
Energy: 1.3377410482570673
Energy: 1.4088106434303038
Energy: 1.4570129968216017
Energy: 1.3660171605448734
Energy: 1.426809801519113
Energy: 1.3798183287293202
Energy: 1.4570129968216017
Energy: 1.3660171605448734
Energy: 1.426809801519113
Energy: 1.4260902483586797
Energy: 1.337998635644377
Energy: 1.4092853269282866
Energy: 1.3892814363573638
Energy: 1.4260902483586797
Energy: 1.3379986356437723
Energy: 1.4092853269282866
Energy: 1.4294086421937673
Energy: 1.3621188636053254
Energy: 1.423037976050741
Energy: 1.3805656266944106
Energy: 1.4294086421937673
Energy: 1.3621188636053254
Energy: 1.4230379760501364
Energy: 1.4260059961299112
Energy: 1.3785079693192497
Energy: 1.3456072677541024
Energy: 1.339403127504411
Energy: 1.4260059961299112
Energy: 1.3785079693192497
Energy: 1.345607267754707
Energy: 1.4233744374482271
Energy: 1.3637672014869953
Energy: 1.3968176846907858
Energy: 1.3810012111756051
Energy: 1.4233744374482271
Energy: 1.3637672014869953
Energy: 1.3968176846907858
Energy: 1.4396162844655305
Energy: 1.3812600410918223
Energy: 1.4187126920818514
Energy: 1.3924034396115768
Energy: 1.4396162844655305
Energy: 1.3812600410918223
Energy: 1.4187126920818514
Energy: 1.3035711269679893
Energy: 1.3400215385504406
Energy: 1.3391033897230629
Energy: 1.3395424108897485
Energy: 1.3035711269679893
Energy: 1.3400215385504406
Energy: 1.3391033897230629
Energy: 1.4392731965077157
Energy: 1.3880527267686231
Energy: 1.3920545435541483
Energy: 1.383801215673148
Energy: 1.4392731965077157
Energy: 1.3880527267686231
Energy: 1.3920545435547527
Energy: 1.3034729737986872
Energy: 1.3396943451012377
Energy: 1.4247157671511352
Energy: 1.3391153116450512
Energy: 1.3034729737986872
Energy: 1.3396943451012377
Energy: 1.4247157671511352
Energy: 1.4426387832088474
Energy: 1.3192970318511654
Energy: 1.3962174373329046
Energy: 1.371105921055141
Energy: 1.4426387832088474
Energy: 1.3192970318511654
Energy: 1.3962174373329046
Energy: 1.3039454243170816
Energy: 1.4044879361268496
Energy: 1.3991192315372951
Energy: 1.4083547477225689
Energy: 1.3039454243170816
Energy: 1.4044879361292675
Energy: 1.3991192315372951
Energy: 1.4423168829367363
Energy: 1.3196631677472483
Energy: 1.4181927266801684
Energy: 1.371880846070375
Energy: 1.4423168829361321
Energy: 1.3196631677466437
Energy: 1.4181927266807726
Energy: 1.303337936179018
Energy: 1.3822604424586882
Energy: 1.4002186254058326
Energy: 1.4294216991441235
Energy: 1.303337936179018
Energy: 1.3822604424580838
Energy: 1.4002186254058326
Energy: 1.427091013673199
Energy: 1.3194756729280803
Energy: 1.4910536161141308
Energy: 1.3738878032995825
Energy: 1.427091013673199
Energy: 1.3194756729280803
Energy: 1.491053616112949
Energy: 1.3028281567389572
Energy: 1.431484466306124
Energy: 1.4066981733125152
Energy: 1.4314878961905058
Energy: 1.3028281567389572
Energy: 1.4314844663067283
Energy: 1.4066981733119108
Energy: 1.4270810772923308
Energy: 1.3739096371777475
Energy: 1.4910756762523325
Energy: 1.31945638846028
Energy: 1.4270810772923308
Energy: 1.3739096371777475
Energy: 1.4910756762523325
Energy: 1.3033141318723531
Energy: 1.4294211775865209
Energy: 1.4003214571208347
Energy: 1.382289921595472
Energy: 1.3033141318723531
Energy: 1.4294211775859162
Energy: 1.4003214571208347
Energy: 1.442329290852026
Energy: 1.3718703348648942
Energy: 1.4292871070807156
Energy: 1.3193939367669234
Energy: 1.4423292908526304
Energy: 1.3718703348648942
Energy: 1.4292871070807156
Energy: 1.3039292197679784
Energy: 1.408171835988918
Energy: 1.3989751073885581
Energy: 1.4048506772527394
Energy: 1.3039292197679784
Energy: 1.408171835988918
Energy: 1.3989751073885581
Energy: 1.4425590670559232
Energy: 1.3716026237179035
Energy: 1.384341703437249
Energy: 1.319411474216374
Energy: 1.4425590670559232
Energy: 1.3716026237179035
Energy: 1.3843417034366445

minimum gb energy = 1.3028281567389572 eV
minimum distance =  2.27229911691182 Angstroms
sigma value = 113


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

Energy: 1.3655234045152937
Energy: 1.4920733458421622
Energy: 1.4899287746016858
Energy: 1.4908595336761286
Energy: 1.3655234045152937
Energy: 1.4920733458421622
Energy: 1.4899287746016858
Energy: 1.449758778720093
Energy: 1.428120809485023
Energy: 1.3711459745128116
Energy: 1.4691123506884083
Energy: 1.449758778720093
Energy: 1.428120809485023
Energy: 1.3711459745128116
Energy: 1.4064327951003939
Energy: 1.4525098061615087
Energy: 1.4361402928500826
Energy: 1.3941533229037752
Energy: 1.4064327951003939
Energy: 1.4525098061615087
Energy: 1.4361402928500826
Energy: 1.356564902365498
Energy: 1.4261310652770591
Energy: 1.3782944458685442
Energy: 1.4271289397157934
Energy: 1.356564902365498
Energy: 1.4261310652770591
Energy: 1.3782944458685442
Energy: 1.4089796960282959
Energy: 1.352391162280765
Energy: 1.4061438443331242
Energy: 1.3880851253629747
Energy: 1.4089796960282959
Energy: 1.352391162280765
Energy: 1.4061438443331242
Energy: 1.3213035272809097
Energy: 1.4169566058944965
Energy: 1.4095556940971432
Energy: 1.3733585619798523
Energy: 1.3213035272809097
Energy: 1.4169566058944965
Energy: 1.4095556940971432
Energy: 1.3713287431341226
Energy: 1.3511046736351224
Energy: 1.4689507231548367
Energy: 1.3540763101856377
Energy: 1.3713287431341226
Energy: 1.3511046736351224
Energy: 1.4689507231548367
Energy: 1.3213386443928814
Energy: 1.375169423516738
Energy: 1.5293412312665082
Energy: 1.3712927585054184
Energy: 1.3213386443928814
Energy: 1.375169423516738
Energy: 1.5293412312665082
Energy: 1.3622492278167777
Energy: 1.3359906944624125
Energy: 1.5170006918113252
Energy: 1.3479029923799735
Energy: 1.3622492278167777
Energy: 1.3359906944624125
Energy: 1.5170006918113252
Energy: 1.313547033378883
Energy: 1.367499350271875
Energy: 1.4878168030883279
Energy: 1.368216640972466
Energy: 1.313547033378883
Energy: 1.367499350271875
Energy: 1.4878168030883279
Energy: 1.3634756819580038
Energy: 1.3647899993780508
Energy: 1.4980561243125503
Energy: 1.3631614822682117
Energy: 1.3634756819580038
Energy: 1.3647899993780508
Energy: 1.4980561243125503
Energy: 1.3292657564947252
Energy: 1.3738921510546862
Energy: 1.468225389912247
Energy: 1.3640173938318896
Energy: 1.3292657564947252
Energy: 1.3738921510546862
Energy: 1.4682253899156203
Energy: 1.3636534360767174
Energy: 1.3936788727563945
Energy: 1.4944684345497874
Energy: 1.3819139183203737
Energy: 1.3636534360767174
Energy: 1.3936788727563945
Energy: 1.4944684345531607
Energy: 1.3863555319635061
Energy: 1.4353414538259135
Energy: 1.467647426442258
Energy: 1.449545219366952
Energy: 1.3863555319635061
Energy: 1.4353414538259135
Energy: 1.4676474264456314
Energy: 1.3633208703322726
Energy: 1.405854373593429
Energy: 1.5128363696127551
Energy: 1.4202841288529953
Energy: 1.3633208703322726
Energy: 1.405854373593429
Energy: 1.5128363696127551
Energy: 1.3865195703766284
Energy: 1.3772738140910148
Energy: 1.5193571444294858
Energy: 1.3875247547273057
Energy: 1.3865195703766284
Energy: 1.3772738140910148
Energy: 1.5193571444294858
Energy: 1.3634869690505689
Energy: 1.3941557011569232
Energy: 1.5089500009749153
Energy: 1.361931518861746
Energy: 1.3634869690505689
Energy: 1.3941557011569232
Energy: 1.5089500009749153
Energy: 1.329118437743425
Energy: 1.3380560362102802
Energy: 1.4399330833482205
Energy: 1.3624964109075743
Energy: 1.329118437743425
Energy: 1.3380560362136535
Energy: 1.4399330833482205
Energy: 1.375168612965891
Energy: 1.377162131783849
Energy: 1.4966374760959458
Energy: 1.3972382619674328
Energy: 1.375168612965891
Energy: 1.377162131783849
Energy: 1.4966374760959458
Energy: 1.3135534234068862
Energy: 1.3546705355771442
Energy: 1.503303582019186
Energy: 1.3554764676675766
Energy: 1.3135534234068862
Energy: 1.3546705355771442
Energy: 1.503303582019186
Energy: 1.3852711794457062
Energy: 1.3533461105236875
Energy: 1.450943227684489
Energy: 1.406031600396294
Energy: 1.3852711794457062
Energy: 1.3533461105236875
Energy: 1.450943227684489
Energy: 1.3179278397743197
Energy: 1.3654003223906541
Energy: 1.4567839852309656
Energy: 1.3451834581975537
Energy: 1.3179278397743197
Energy: 1.3654003223906541
Energy: 1.4567839852309656
Energy: 1.3827412851818637
Energy: 1.3790250180714145
Energy: 1.4565821939960362
Energy: 1.4519078523396156
Energy: 1.3827412851818637
Energy: 1.3790250180714145
Energy: 1.4565821939960362
Energy: 1.3601885188156277
Energy: 1.3582128523440318
Energy: 1.487616190921367
Energy: 1.3564043999348834
Energy: 1.3601885188156277
Energy: 1.3582128523440318
Energy: 1.487616190921367
Energy: 1.381784533233439
Energy: 1.4128297072249258
Energy: 1.3931478611860177
Energy: 1.4924927243131585
Energy: 1.381784533233439
Energy: 1.4128297072249258
Energy: 1.3931478611860177
Energy: 1.3651390411084543
Energy: 1.456273074039996
Energy: 1.5275537528210594
Energy: 1.3592762728847332
Energy: 1.3651390411084543
Energy: 1.456273074039996
Energy: 1.5275537528210594
Energy: 1.4407560727664377
Energy: 1.4087455638571893
Energy: 1.3785231632811494
Energy: 1.535217751054264
Energy: 1.4407560727664377
Energy: 1.4087455638571893
Energy: 1.3785231632811494
Energy: 1.4020841794039798
Energy: 1.4805024308001005
Energy: 1.53009373570517
Energy: 1.425285207495124
Energy: 1.4020841794039798
Energy: 1.4805024308001005
Energy: 1.53009373570517
Energy: 1.4434309447019318
Energy: 1.4086077423330254
Energy: 1.3666818574519903
Energy: 1.5353595314038346
Energy: 1.4434309447019318
Energy: 1.4086077423330254
Energy: 1.3666818574519903
Energy: 1.3651513715746693
Energy: 1.4491337313729946
Energy: 1.5252351547299718
Energy: 1.3593159735259464
Energy: 1.3651513715746693
Energy: 1.4491337313729946
Energy: 1.5252351547299718
Energy: 1.4154375922333218
Energy: 1.4082757295114958
Energy: 1.384446055457319
Energy: 1.4912659131065487
Energy: 1.4154375922333218
Energy: 1.4082757295114958
Energy: 1.384446055460692
Energy: 1.376363360649834
Energy: 1.35906910562783
Energy: 1.447505930641129
Energy: 1.3979463048336038
Energy: 1.376363360649834
Energy: 1.35906910562783
Energy: 1.447505930641129
Energy: 1.3797299322106291
Energy: 1.3881492794082635
Energy: 1.3776080449335977
Energy: 1.4313702649925237
Energy: 1.3797299322106291
Energy: 1.3881492794082635
Energy: 1.3776080449302244
Energy: 1.3677435959658992
Energy: 1.3578041009120854
Energy: 1.464506690330146
Energy: 1.3571839836590374
Energy: 1.3677435959658992
Energy: 1.3578041009120854
Energy: 1.464506690330146
Energy: 1.3785799451929852
Energy: 1.340178936980775
Energy: 1.4537489212222527
Energy: 1.4212641982732142
Energy: 1.3785799451929852
Energy: 1.340178936980775
Energy: 1.4537489212222527
Energy: 1.3661656716209005
Energy: 1.3702704948912638
Energy: 1.4346405841095464
Energy: 1.348516692106972
Energy: 1.3661656716209005
Energy: 1.3702704948912638
Energy: 1.4346405841095464
Energy: 1.378749717174199
Energy: 1.3851873051749763
Energy: 1.385658531727003
Energy: 1.4183058676398401
Energy: 1.378749717174199
Energy: 1.3851873051749763
Energy: 1.385658531727003
Energy: 1.364598072467688
Energy: 1.3503762778819342
Energy: 1.4229496749217123
Energy: 1.3776350572183353
Energy: 1.364598072467688
Energy: 1.3503762778819342
Energy: 1.4229496749217123
Energy: 1.4067442122082692
Energy: 1.4261651810786489
Energy: 1.4526839290530338
Energy: 1.4035912537159987
Energy: 1.4067442122082692
Energy: 1.4261651810786489
Energy: 1.4526839290564073
Energy: 1.3808743870201436
Energy: 1.4335031364392479
Energy: 1.4914645308764913
Energy: 1.3907278961362894
Energy: 1.3808743870201436
Energy: 1.4335031364392479
Energy: 1.4914645308764913
Energy: 1.4012083903131682
Energy: 1.4360221758047285
Energy: 1.4533972407065567
Energy: 1.4230779871314618
Energy: 1.4012083903131682
Energy: 1.4360221758047285
Energy: 1.4533972407065567
Energy: 1.3805068763441182
Energy: 1.3671150978054403
Energy: 1.4954067899761643
Energy: 1.3934411978476082
Energy: 1.3805068763441182
Energy: 1.3671150978054403
Energy: 1.495406789972791
Energy: 1.3686004831511955
Energy: 1.4376291415547624
Energy: 1.455776670723692
Energy: 1.4345110136985306
Energy: 1.3686004831511955
Energy: 1.4376291415547624
Energy: 1.455776670723692
Energy: 1.3696697029672762
Energy: 1.3885744308772563
Energy: 1.4888195423715571
Energy: 1.3647563752603098
Energy: 1.3696697029672762
Energy: 1.3885744308772563
Energy: 1.4888195423715571
Energy: 1.3265956604089504
Energy: 1.4314768063731165
Energy: 1.4436568044939617
Energy: 1.4143331096862366
Energy: 1.3265956604089504
Energy: 1.4314768063731165
Energy: 1.4436568044939617

minimum gb energy = 1.313547033378883 eV
minimum distance =  2.24843581194307 Angstroms
sigma value = 365


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

Energy: 1.3445352439435845
Energy: 1.2070523725491014
Energy: 1.5685803933972629
Energy: 1.207052372549862
Energy: 1.3445352439428238
Energy: 1.2070523725521436
Energy: 1.5685803933972629
Energy: 1.3445352439435845
Energy: 1.2070523725491014
Energy: 1.5685803933972629
Energy: 1.2070523725521436
Energy: 1.3445352439428238
Energy: 1.2070523725460593
Energy: 1.5685803933972629
Energy: 1.3445352439428238
Energy: 1.2070523725506226
Energy: 1.5006215598590646
Energy: 1.207052372551383
Energy: 1.3445352439428238
Energy: 1.2070523725521436
Energy: 1.5006215598598254
Energy: 1.3445352439435845
Energy: 1.207052372549862
Energy: 1.5006215598598254
Energy: 1.2070523725445381
Energy: 1.3445352439435845
Energy: 1.2070523725491014
Energy: 1.5006215598590646
Energy: 1.3445352439435845
Energy: 1.207052372549862
Energy: 1.5006215598583044
Energy: 1.207052372549862
Energy: 1.3445352439428238
Energy: 1.207052372551383
Energy: 1.5006215598598254
Energy: 1.3445352439435845
Energy: 1.207052372549862
Energy: 1.4235161430296754
Energy: 1.2070523725506226
Energy: 1.3445352439428238
Energy: 1.2070523725445381
Energy: 1.4235161430296754
Energy: 1.3445352439435845
Energy: 1.2070523725506226
Energy: 1.423516143028915
Energy: 1.2070523725506226
Energy: 1.3445352439435845
Energy: 1.207052372548341
Energy: 1.423516143028915
Energy: 1.3445352439428238
Energy: 1.207052372551383
Energy: 1.4235161430281544
Energy: 1.2070523725521436
Energy: 1.3445352439428238
Energy: 1.207052372549862
Energy: 1.4235161430281544
Energy: 1.3445352439435845
Energy: 1.207052372551383
Energy: 1.3445400188232066
Energy: 1.2070523725468196
Energy: 1.3445352439428238
Energy: 1.2070523725506226
Energy: 1.3445400188232066
Energy: 1.3445352439443448
Energy: 1.2070523725491014
Energy: 1.3445400188232066
Energy: 1.207052372549862
Energy: 1.3445352439443448
Energy: 1.207052372551383
Energy: 1.3445400188232066
Energy: 1.3445352439435845
Energy: 1.2070523725506226
Energy: 1.3445400188239671
Energy: 1.2070523725521436
Energy: 1.3445352439435845
Energy: 1.2070523725468196
Energy: 1.3445400188239671
Energy: 1.3445352439428238
Energy: 1.207052372551383
Energy: 1.2614414625040384
Energy: 1.2070523725521436
Energy: 1.3445352439428238
Energy: 1.2070523725506226
Energy: 1.2614414625032782
Energy: 1.3445352439435845
Energy: 1.2070523725468196
Energy: 1.2614414625047992
Energy: 1.207052372551383
Energy: 1.3445352439435845
Energy: 1.207052372549862
Energy: 1.2614414625040384
Energy: 1.3445352439435845
Energy: 1.207052372551383
Energy: 1.2614414625040384
Energy: 1.207052372548341
Energy: 1.3445352439435845
Energy: 1.2070523725468196
Energy: 1.2614414625032782
Energy: 1.3445352439435845
Energy: 1.2070523725491014
Energy: 1.2614414625047992
Energy: 1.2070523725544253
Energy: 1.3445352439435845
Energy: 1.2070523725521436
Energy: 1.2614414625047992
Energy: 1.3445352439435845
Energy: 1.2070523725491014
Energy: 1.2614414625040384
Energy: 1.207052372551383
Energy: 1.3445352439435845
Energy: 1.207052372551383
Energy: 1.2614414625047992
Energy: 1.3445352439443448
Energy: 1.2070523725468196
Energy: 1.2614414625047992
Energy: 1.2070523725491014
Energy: 1.3445352439443448
Energy: 1.2070523725491014
Energy: 1.2614414625047992
Energy: 1.3445352439435845
Energy: 1.2070523725506226
Energy: 1.2614414625040384
Energy: 1.2070523725491014
Energy: 1.3445352439435845
Energy: 1.2070523725506226
Energy: 1.2614414625040384
Energy: 1.3445352439435845
Energy: 1.207052372548341
Energy: 1.2614414625055599
Energy: 1.2070523725521436
Energy: 1.3445352439443448
Energy: 1.2070523725506226
Energy: 1.2614414625047992
Energy: 1.3445352439435845
Energy: 1.207052372551383
Energy: 1.2614414625047992
Energy: 1.2070523725521436
Energy: 1.3445352439435845
Energy: 1.2070523725506226
Energy: 1.2614414625047992

minimum gb energy = 1.2070523725445381 eV
minimum distance =  2.35915301923962 Angstroms
sigma value = 23