Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917568326
cohesive_energy=4.450349978305744
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.020517460057883033
Energy: 0.4685597178372695
Energy: 0.4685597178372695
Energy: 0.020517460057883033
Energy: 0.4685597178372695
Energy: 0.4685597178372695
Energy: 0.020517460057883033
Energy: 0.4685597178372695
Energy: 0.4685597178372695
Energy: 0.020517460057883033
Energy: 0.46642696718386295
Energy: 0.022675759534520123
Energy: 0.4669929164244753
Energy: 0.46642696718386295
Energy: 0.022675759532996737
Energy: 0.4669929164244753
Energy: 0.46642696718386295
Energy: 0.022675759534520123
Energy: 0.4669929164244753
Energy: 0.46642696718386295
Energy: 2.067486961400217
Energy: 0.6882923811372534
Energy: 0.2264787830201102
Energy: 2.0674869614017406
Energy: 0.6882923811372534
Energy: 0.5983073189809033
Energy: 2.067486961400217
Energy: 0.6882923811372534
Energy: 0.5983073189809033
Energy: 1.4277364464764397
Energy: 0.46642696718386295
Energy: 0.4669929164244753
Energy: 0.022675759534520123
Energy: 0.46642696718386295
Energy: 0.4669929164244753
Energy: 0.022675759532996737
Energy: 0.46642696718386295
Energy: 0.4669929164244753
Energy: 0.022675759532996737
Energy: 0.46642696718386295
Energy: 0.020517460057883033
Energy: 0.4685597178372695
Energy: 0.4685597178372695
Energy: 0.020517460057883033
Energy: 0.4685597178372695
Energy: 0.4685597178372695
Energy: 0.020517460057883033
Energy: 0.4685597178372695
Energy: 0.4685597178372695
Energy: 0.020517460057883033
Energy: 0.4664269671853863
Energy: 0.022675759534520123
Energy: 0.4669929164244753
Energy: 0.46642696718386295
Energy: 0.022675759534520123
Energy: 0.4669929164244753
Energy: 0.46642696718386295
Energy: 0.022675759532996737
Energy: 0.4669929164244753
Energy: 0.46642696718386295
Energy: 1.0632884293718925
Energy: 0.8963162637564462
Energy: 0.02095068650878219
Energy: 1.0632558662486833
Energy: 0.8963162637549228
Energy: 0.02095068650878219
Energy: 1.0632990006197245
Energy: 0.8963162637564462
Energy: 0.02095068650878219
Energy: 1.0632868829699567

minimum gb energy = 0.020517460057883033 eV
minimum distance =  2.27026675410633 Angstroms
sigma value = 3


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

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Energy: 1.4552670926696927
Energy: 1.4543443886475085
Energy: 1.1462782829977805
Energy: 1.4552670926696927
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Energy: 1.1764314110458247
Energy: 1.4552670926696927
Energy: 1.4543443886475085
Energy: 1.1462782829977805
Energy: 1.4304383909531266
Energy: 1.1155816811112353
Energy: 1.4313611229098855
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Energy: 1.5031553084381675
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Energy: 1.4121671133410427
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Energy: 1.5117141409438501
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Energy: 1.4466413090450516
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Energy: 1.1146335780828691
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Energy: 1.3181412824432865
Energy: 1.5051371349422311
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Energy: 1.149110589844475
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Energy: 1.5244622220835415
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Energy: 1.4508217487069752
Energy: 1.4938291249842524
Energy: 1.3407467531255888
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Energy: 1.028174933593837
Energy: 1.4315321462018953
Energy: 1.4589779123155526
Energy: 1.028174933593837
Energy: 1.431890331501424
Energy: 1.4561096709825598
Energy: 1.0281749335901058
Energy: 1.4315321462018953
Energy: 1.4589779123192843
Energy: 1.0281749335901058
Energy: 1.4476871667911781
Energy: 1.0890249454086154
Energy: 1.4716831042699667
Energy: 1.4476871667911781
Energy: 1.0890249454086154
Energy: 1.471683104273698
Energy: 1.4476871667949096
Energy: 1.0890249454086154
Energy: 1.471683104273698
Energy: 1.4476871667911781
Energy: 1.3391549194536074
Energy: 1.4214609180740105
Energy: 1.312005419068312
Energy: 1.339154919457339
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Energy: 1.3391549194536074
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Energy: 1.4126487370640968
Energy: 1.411843254776036
Energy: 1.1168085171482722
Energy: 1.4126487370640968
Energy: 1.4118432547797672
Energy: 1.1167986533777863
Energy: 1.4126487370603655
Energy: 1.4118432547797672
Energy: 1.1168085171482722
Energy: 1.4126487370640968
Energy: 1.088869817846359
Energy: 1.4552670926696927
Energy: 1.4543443886475085
Energy: 1.088869817846359
Energy: 1.4552670926696927
Energy: 1.4543443886475085
Energy: 1.088869817846359
Energy: 1.4552670926659612
Energy: 1.45434438865124
Energy: 1.088869817846359
Energy: 1.4304383909568583
Energy: 1.1155816811112353
Energy: 1.4313611229098855
Energy: 1.4304383909568583
Energy: 1.1155816811112353
Energy: 1.431361122913617
Energy: 1.4304383909531266
Energy: 1.1155816811149666
Energy: 1.431361122913617
Energy: 1.4304383909531266
Energy: 1.4833347254964602
Energy: 1.4121671133410427
Energy: 1.53432792333958
Energy: 1.48380744290293
Energy: 1.4121671133373788
Energy: 1.53432792333958
Energy: 1.4833347254964602
Energy: 1.4121671133410427
Energy: 1.53432792333958
Energy: 1.48380744290293
Energy: 1.4525551327147948
Energy: 1.5117141409438501
Energy: 1.0868290067015387
Energy: 1.4525551327147948
Energy: 1.5117141409438501
Energy: 1.0868290067015387
Energy: 1.4525551327147948
Energy: 1.5117141409475818
Energy: 1.0868290067015387
Energy: 1.4525551327147948

minimum gb energy = 1.0281749335901058 eV
minimum distance =  2.19495918491083 Angstroms
sigma value = 75


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

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Energy: 1.1138834826942452
Energy: 1.1154015776219972
Energy: 1.243715339829553
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minimum gb energy = 1.1117383476678715 eV
minimum distance =  2.19332808750842 Angstroms
sigma value = 105


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

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Energy: 1.531788340860472
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Energy: 1.2810292420204055
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Energy: 1.3762109233022348
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Energy: 1.3762109233022348
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Energy: 1.3762109233001805
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Energy: 1.2283937086122794
Energy: 1.3924363486510103
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Energy: 1.2283937086102255
Energy: 1.3924363486530642
Energy: 1.4028284071087946
Energy: 1.2283937086102255
Energy: 1.3924363486510103
Energy: 1.4028284071087946
Energy: 1.2283937086122794
Energy: 1.2999339625296058
Energy: 1.2786910081567802
Energy: 1.3403047513567212
Energy: 1.2999339625275517
Energy: 1.2786131921743178
Energy: 1.3403047514409032
Energy: 1.2999339625296058
Energy: 1.2786910081588343
Energy: 1.340304751463499
Energy: 1.2999339625296058
Energy: 1.3729314715184093
Energy: 1.2772702895850878
Energy: 1.4856340157963157
Energy: 1.3729314715184093
Energy: 1.2771762541694056
Energy: 1.4856340157983696
Energy: 1.3729314715163552
Energy: 1.2772702895850878
Energy: 1.4856340157983696
Energy: 1.3729314715163552
Energy: 1.3518073790398064
Energy: 1.3216265306079418
Energy: 1.28010206070312
Energy: 1.3518073790398064
Energy: 1.3216265306058876
Energy: 1.280102060705174
Energy: 1.3518073790418605
Energy: 1.3216265306058876
Energy: 1.280102060705174
Energy: 1.3518073790418605
Energy: 1.303834472690794
Energy: 1.3457409272530734
Energy: 1.335182667308451
Energy: 1.30383447268874
Energy: 1.3449491754548528
Energy: 1.3351826673063967
Energy: 1.3038344726928484
Energy: 1.3457409272530734
Energy: 1.3351826673063967
Energy: 1.3038344726928484
Energy: 1.341096815672791
Energy: 1.3349705444739057
Energy: 1.4446897494204867
Energy: 1.341096815672791
Energy: 1.334866710476475
Energy: 1.4446897494204867
Energy: 1.341096815672791
Energy: 1.3349705444739057
Energy: 1.4446897494204867
Energy: 1.341096815670774
Energy: 1.410600290064645
Energy: 1.228746960739629
Energy: 1.3734505899973968
Energy: 1.4106002900666992
Energy: 1.228737068046654
Energy: 1.3734505899973968
Energy: 1.410600290064645
Energy: 1.228746960739629
Energy: 1.3734505899953429
Energy: 1.410600290064645

minimum gb energy = 1.2275392401749823 eV
minimum distance =  2.16588521446117 Angstroms
sigma value = 165


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

Energy: 1.2740343326015333
Energy: 1.2912478100164808
Energy: 1.2912249886098444
Energy: 1.216659348456464
Energy: 1.2912478100178912
Energy: 1.2912249869654067
Energy: 1.2740343326001229
Energy: 1.2912478100164808
Energy: 1.2912249881389704
Energy: 1.2166593484557586
Energy: 1.449817766814222
Energy: 1.2163356466713635
Energy: 1.4922171114811382
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Energy: 1.449817766814927
Energy: 1.222203518746735
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Energy: 1.2222035187474405
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Energy: 1.2250726758166153
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Energy: 1.4596648988668868
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Energy: 1.303874403927009
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Energy: 1.3429060271874071
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Energy: 1.3038744039206622
Energy: 1.3239445561283518
Energy: 1.3834460868417853
Energy: 1.4801195580890845
Energy: 1.2674659353672106
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Energy: 1.3239445561262362
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Energy: 1.4801195580862636
Energy: 1.2674659353686213
Energy: 1.2509303461837549
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Energy: 1.2068640192239408
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Energy: 1.3257544980164162
Energy: 1.2048326615890463
Energy: 1.3959728198676706
Energy: 1.2347134114733278
Energy: 1.3973005555276283
Energy: 1.3959728198676706
Energy: 1.2347134114733278
Energy: 1.3973005555283338
Energy: 1.3959728198669654
Energy: 1.2347134114747385
Energy: 1.3973005555290388
Energy: 1.3959728198676706
Energy: 1.291421347686251
Energy: 1.2272034841106862
Energy: 1.4908370374703208
Energy: 1.291421347686251
Energy: 1.2272034841092758
Energy: 1.4908370374703208
Energy: 1.2914213476883667
Energy: 1.2272034841085706
Energy: 1.4908370374703208
Energy: 1.291421347686251
Energy: 1.384327482726907
Energy: 1.3808485090610632
Energy: 1.2649035249658505
Energy: 1.3843274827297276
Energy: 1.3808485090624731
Energy: 1.2649035249665554
Energy: 1.3843274827283174
Energy: 1.3808485090589475
Energy: 1.26490352496444
Energy: 1.384327482727612
Energy: 1.2166593484557586
Energy: 1.2912478100171862
Energy: 1.2912249900752921
Energy: 1.216659348456464
Energy: 1.2912478100178912
Energy: 1.2912249860462242
Energy: 1.216659348456464
Energy: 1.2912478100171862
Energy: 1.2912249850728064
Energy: 1.216659348456464

minimum gb energy = 1.1869604812974748 eV
minimum distance =  2.26698452521275 Angstroms
sigma value = 41


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

Energy: 1.339808432342219
Energy: 1.128921428104993
Energy: 1.1278984163659722
Energy: 1.2594765031990838
Energy: 1.128921428104993
Energy: 1.127898416368708
Energy: 1.3398084323449553
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Energy: 1.1411271145837696
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Energy: 1.2004966283089118
Energy: 1.1555608229208991
Energy: 1.270812587668004
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Energy: 1.270812587668004
Energy: 1.2774477771509796
Energy: 1.0693033794306248
Energy: 1.1748382120056644
Energy: 1.2774477771509796
Energy: 1.0693033794306248
Energy: 1.1748382120001923
Energy: 1.2774477771564519
Energy: 1.0693033794278886
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Energy: 1.2774477771509796
Energy: 1.137537726652929
Energy: 1.2219069248670333
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Energy: 1.2219069248670333
Energy: 1.1889370099673908
Energy: 1.137537726652929
Energy: 1.2108271984738859
Energy: 1.3532889990366361
Energy: 1.1035566781466009
Energy: 1.2108271984711498
Energy: 1.3532889990366361
Energy: 1.1032927367765906
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Energy: 1.1035566781411288
Energy: 1.2108271984738859
Energy: 1.149422857344006
Energy: 1.398281350413937
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Energy: 1.3982813504166733
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Energy: 1.1177189328075585
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Energy: 1.0631556147169445
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Energy: 1.0666191991235103
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Energy: 1.0666191991207743
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Energy: 1.1177189328020865
Energy: 1.2357359012079485
Energy: 1.2242780134075089
Energy: 1.1384014872671693
Energy: 1.2357359012052127
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Energy: 1.1384014872699053
Energy: 1.2357359012052127
Energy: 1.224278013410245
Energy: 1.1384014872699053
Energy: 1.2357359012052127
Energy: 1.242605946033794
Energy: 1.0679990589043213
Energy: 1.2552030813727488
Energy: 1.242605946033794
Energy: 1.0679990589070574
Energy: 1.2552030813727488
Energy: 1.2426059460283716
Energy: 1.0679990589070574
Energy: 1.2552030813727488
Energy: 1.242605946031058
Energy: 1.1760666608508186
Energy: 1.1145174915889808
Energy: 1.3006384875772976
Energy: 1.1760666608480823
Energy: 1.1145174915862446
Energy: 1.2606263442877512
Energy: 1.1760666608480823
Energy: 1.1145174915835085
Energy: 1.3006384875745614
Energy: 1.1760666608453463
Energy: 1.0786996560363658
Energy: 1.1783582573337872
Energy: 1.075672766386716
Energy: 1.0786996560336295
Energy: 1.1688190662999756
Energy: 1.0551124205908353
Energy: 1.0786996560418378
Energy: 1.178358257336523
Energy: 1.07567276638398
Energy: 1.0786996560336295
Energy: 1.119191198754232
Energy: 1.1266665717843767
Energy: 1.1432385339368165
Energy: 1.1191911987569678
Energy: 1.1265617120570095
Energy: 1.143460785038268
Energy: 1.119191198754232
Energy: 1.1266665717816406
Energy: 1.1432385339368165
Energy: 1.119191198754232
Energy: 1.0882840583740914
Energy: 1.1440893965521284
Energy: 1.0657028452454256
Energy: 1.0882840583740914
Energy: 1.1442120968799678
Energy: 1.0657028452481616
Energy: 1.0882840583740914
Energy: 1.1440893965548646
Energy: 1.0657028452481616
Energy: 1.0882840583768274
Energy: 1.2053155373353934
Energy: 1.1115927328398274
Energy: 1.0952812444344022
Energy: 1.2053155373326572
Energy: 1.1117542091993156
Energy: 1.0952812444344022
Energy: 1.2053155373353934
Energy: 1.1115927328370911
Energy: 1.0952812444371383
Energy: 1.205315537338129
Energy: 1.4210942746047452
Energy: 1.1567399331280435
Energy: 1.1057865555986854
Energy: 1.421094274602009
Energy: 1.1567399331280435
Energy: 1.1057865555986854
Energy: 1.421094274602009
Energy: 1.1567399331253077
Energy: 1.1057865556041573
Energy: 1.421094274602009

minimum gb energy = 1.0189869402952156 eV
minimum distance =  2.21471451461105 Angstroms
sigma value = 185


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

Energy: 0.4085159368425196
Energy: 0.5896659449579105
Energy: 0.5897217945025611
Energy: 0.4085159368422243
Energy: 0.5896659449582646
Energy: 0.5897217945025611
Energy: 0.4085159368425196
Energy: 0.5896659449579105
Energy: 0.5897217945025611
Energy: 0.4085159368422243
Energy: 0.4220944456496681
Energy: 0.6172236355331066
Energy: 0.5041155085492708
Energy: 0.42209444565002235
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Energy: 0.42209444565002235
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Energy: 0.5911436097291238
Energy: 0.40919001715217834
Energy: 0.4087145144353574
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Energy: 0.487133795403641
Energy: 0.5899148671420346
Energy: 0.4236085288312194
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Energy: 0.5899148671420346
Energy: 0.4236085288328728
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Energy: 0.6182415343899628
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Energy: 0.5902598622469503
Energy: 0.44748104182456455
Energy: 0.4090379039977078
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Energy: 0.4086352099008874
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Energy: 0.4086352098995882
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Energy: 0.4870920270563142
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Energy: 0.42344389813085065
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Energy: 0.48709202705595994
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Energy: 0.4086889673901945
Energy: 0.4092150275455012
Energy: 0.5906611018520638
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Energy: 0.4086889673901945
Energy: 0.42206476292177936
Energy: 0.5041274124388851
Energy: 0.6171750580753759
Energy: 0.4220647629220747
Energy: 0.5041274124385308
Energy: 0.6171750580821668
Energy: 0.4220647629220747
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Energy: 0.4220647629220747
Energy: 0.4085159368422243
Energy: 0.5896659449572608
Energy: 0.5897217945025611
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Energy: 0.5896659449579105
Energy: 0.5897217945028563
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Energy: 0.589665944957615
Energy: 0.5897217945025611
Energy: 0.4085159368425196
Energy: 0.42209444565002235
Energy: 0.6172236355350552
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Energy: 0.5911436097294192
Energy: 0.40919001715058395
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Energy: 0.5911436097291238
Energy: 0.40919001715347747
Energy: 0.40871451443500306
Energy: 0.5911436097291238
Energy: 0.4091900171525327
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Energy: 0.48713379540334584
Energy: 0.5899148671420346
Energy: 0.42360852883251854
Energy: 0.487133795403641
Energy: 0.5899148671416802
Energy: 0.42360852883186895
Energy: 0.48713379540334584
Energy: 0.5899148671423298
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Energy: 0.487133795403641
Energy: 0.5900587270203
Energy: 0.6182415343893132
Energy: 0.4086266033950989
Energy: 0.5900587270200048
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Energy: 0.6182415343893132
Energy: 0.40862660339574847
Energy: 0.5900587270203
Energy: 0.5902598622466552
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Energy: 0.4090379039977078
Energy: 0.5902598622469503
Energy: 0.4474810418248598
Energy: 0.409037903996763
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Energy: 0.4090379039974126
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Energy: 0.5902771103870744
Energy: 0.4090084904375266
Energy: 0.44747556892378354
Energy: 0.590277110387724
Energy: 0.40900849043392434
Energy: 0.44747556892478746
Energy: 0.5902771103874287
Energy: 0.4090084904362274
Energy: 0.44747556892378354
Energy: 0.5902771103874287
Energy: 0.5900849293986381
Energy: 0.40863520989734425
Energy: 0.6182746533011703
Energy: 0.5900849293983428
Energy: 0.40863520989994256
Energy: 0.6182746533011703
Energy: 0.5900849293986381
Energy: 0.4086352098995882
Energy: 0.6182746533015246
Energy: 0.5900849293986381
Energy: 0.4870920270563142
Energy: 0.4234438981312049
Energy: 0.5899292305108654
Energy: 0.4870920270563142
Energy: 0.42344389813085065
Energy: 0.5899292305111605
Energy: 0.4870920270563142
Energy: 0.42344389812955147
Energy: 0.5899292305105109
Energy: 0.4870920270566094
Energy: 0.4086889673901945
Energy: 0.4092150275387102
Energy: 0.5906611018507647
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Energy: 0.40921502754355255
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Energy: 0.5041274124385308
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Energy: 0.5041274124388851
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Energy: 0.5041274124385308
Energy: 0.6171750580750216
Energy: 0.4220647629220747
Energy: 0.4085159368425196
Energy: 0.5896659449579105
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Energy: 0.5896659449579105
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Energy: 0.4085159368425196
Energy: 0.5896659449579105
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Energy: 0.6182415343883685
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Energy: 0.5900587270200048
Energy: 0.6182415343883685
Energy: 0.40862660339574847
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Energy: 0.6182415343883685
Energy: 0.408626603396398
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Energy: 0.5902598622469503
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Energy: 0.4090379039957591
Energy: 0.5902598622466552
Energy: 0.44748104182456455
Energy: 0.4090379039987117
Energy: 0.5902598622469503
Energy: 0.4474810418248598
Energy: 0.4090379039987117
Energy: 0.5902598622466552
Energy: 0.5902771103874287
Energy: 0.4090084904332748
Energy: 0.4474755689244331
Energy: 0.5902771103874287
Energy: 0.40900849043587306
Energy: 0.44747556892378354
Energy: 0.5902771103874287
Energy: 0.4090084904336291
Energy: 0.4474755689244331
Energy: 0.5902771103870744
Energy: 0.5900849293983428
Energy: 0.40863520989994256
Energy: 0.6182746533015246
Energy: 0.5900849293986381
Energy: 0.4086352098995882
Energy: 0.6182746533018199
Energy: 0.5900849293983428
Energy: 0.4086352099008874
Energy: 0.6182746533018199
Energy: 0.5900849293983428
Energy: 0.4870920270566094
Energy: 0.42344389813085065
Energy: 0.5899292305111605
Energy: 0.4870920270563142
Energy: 0.4234438981305554
Energy: 0.5899292305111605
Energy: 0.4870920270563142
Energy: 0.42344389812890193
Energy: 0.5899292305111605
Energy: 0.48709202705595994
Energy: 0.40868896739054883
Energy: 0.4092150275380607
Energy: 0.5906611018510599
Energy: 0.4086889673901945
Energy: 0.4092150275396551
Energy: 0.5906611018507647
Energy: 0.4086889673901945
Energy: 0.4092150275396551
Energy: 0.5906611018510599
Energy: 0.4086889673901945
Energy: 0.42206476292177936
Energy: 0.5041274124388851
Energy: 0.6171750580760255
Energy: 0.4220647629220747
Energy: 0.5041274124385308
Energy: 0.6171750580808677
Energy: 0.42206476292142514
Energy: 0.5041274124388851
Energy: 0.6171750580756712
Energy: 0.4220647629220747

minimum gb energy = 0.4085159368422243 eV
minimum distance =  2.35206040860409 Angstroms
sigma value = 33


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

Energy: 1.0459581112203082
Energy: 1.098377401372075
Energy: 1.0839434358929425
Energy: 1.0003431911355294
Energy: 1.098377401370292
Energy: 1.0839434358893765
Energy: 1.0459581112185254
Energy: 1.098377401370292
Energy: 1.0839434358929425
Energy: 1.0003431911355294
Energy: 1.106108490782426
Energy: 1.0431719747783346
Energy: 1.0889600973229199
Energy: 1.106108490782426
Energy: 1.0431719747765515
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Energy: 1.0431719747783346
Energy: 1.0889600973247031
Energy: 1.1061084907806429
Energy: 1.1179054813994411
Energy: 1.0350817021167147
Energy: 1.0660255214955328
Energy: 1.1178983635987776
Energy: 1.0350817021149317
Energy: 1.0669262428585125
Energy: 1.117905481397658
Energy: 1.0350817021131486
Energy: 1.0669262428602955
Energy: 1.0967965920483493
Energy: 1.1656284651991824
Energy: 0.9918923131243997
Energy: 1.1917335819125323
Energy: 1.1656284651973994
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Energy: 1.1917335819107493
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Energy: 0.9918923131226168
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Energy: 1.1656284651973994
Energy: 1.1622595020942466
Energy: 1.0412082950408943
Energy: 1.0101512611556656
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Energy: 1.0101512611592318
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Energy: 1.0412082950426773
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Energy: 0.9940206615408143
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Energy: 1.0631406060940856
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Energy: 1.070204680329203
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Energy: 1.0957404543553924
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Energy: 1.1808724811973745
Energy: 1.008680125834052
Energy: 1.110346658460082
Energy: 1.1763953074660003
Energy: 1.008680125834052
Energy: 1.102606038918798
Energy: 1.1808724811973745
Energy: 1.008680125835835
Energy: 1.0273986382959974
Energy: 1.1087536548937151
Energy: 1.0742183550742086
Energy: 1.0273986382977804
Energy: 1.108799956318521
Energy: 1.0745460945087932
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Energy: 1.1087536548919321
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Energy: 1.044077233334254
Energy: 1.08423612285494
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Energy: 1.044077233332471
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Energy: 1.0428274764598209
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Energy: 1.0933162603994153
Energy: 1.0232247754387982
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Energy: 1.0933162603994153
Energy: 1.0004705931415283
Energy: 1.0836431135396536
Energy: 1.0933162604011983
Energy: 1.0232247754387982
Energy: 1.0836431135396536
Energy: 1.0933162604011983
Energy: 1.059147081420315
Energy: 1.1038736560538245
Energy: 1.0435990862250915
Energy: 1.059147081416749
Energy: 1.1038736560538245
Energy: 1.0435990862233084
Energy: 1.059147081418532
Energy: 1.103873656055575
Energy: 1.0435990862233084
Energy: 1.059147081420315
Energy: 1.0616352716115665
Energy: 1.156016379192254
Energy: 1.051702801731892
Energy: 1.0616352716133495
Energy: 1.1560163791940368
Energy: 1.0517028017301415
Energy: 1.0616352716097834
Energy: 1.1560163791940368
Energy: 1.0517028017301415
Energy: 1.061635271608033
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Energy: 1.2049085507252832
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Energy: 1.1061842239293709
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Energy: 1.0275046996026427
Energy: 1.0764139044532857
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Energy: 1.0275046996044257
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Energy: 1.106184223931154
Energy: 1.0563330915080815
Energy: 1.1009827001029642
Energy: 1.0595149762850837
Energy: 1.0563330915116476
Energy: 1.1009827000993984
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Energy: 1.1009827001011812
Energy: 1.0595149762868667
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Energy: 1.0097688297222411
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Energy: 1.1046695823793282
Energy: 1.0097688297275902
Energy: 1.0794958632763698
Energy: 1.1046695823775452
Energy: 1.0097688297240242

minimum gb energy = 0.9652172424952103 eV
minimum distance =  2.22196413386884 Angstroms
sigma value = 219


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

Energy: 1.221248339651506
Energy: 1.3386107274447494
Energy: 1.3386132541775109
Energy: 1.221248339651506
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Energy: 1.2365719850307442
Energy: 1.356388205282012
Energy: 1.2201055360941506
Energy: 1.58868534499161
Energy: 1.3360259761733277
Energy: 1.2201055360941506
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Energy: 1.3360259761733277
Energy: 1.2201055360941506
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Energy: 1.3360259761733277
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Energy: 1.300105518909143
Energy: 1.3499389019221038
Energy: 1.3292694470624085
Energy: 1.300105518907963
Energy: 1.3499389019221038
Energy: 1.3292694470635884

minimum gb energy = 1.2030432961139272 eV
minimum distance =  2.2460002489169 Angstroms
sigma value = 15


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

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minimum gb energy = 1.3379904688684836 eV
minimum distance =  2.17513350980206 Angstroms
sigma value = 293


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

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Energy: 1.3573128531962761
Energy: 1.3539116677087555
Energy: 1.3716832555124343
Energy: 1.3573128531962761
Energy: 1.3539116677087555
Energy: 1.3716832555124343
Energy: 1.4847969923841362
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Energy: 1.390379370663075
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Energy: 1.390379370663075
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Energy: 1.3717578678091271
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Energy: 1.3573444686762761
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Energy: 1.3557391178111515
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Energy: 1.3476138318303894
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Energy: 1.3557391178084865
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Energy: 1.5618172910299142
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Energy: 1.4932830560117376
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Energy: 1.5642258743076125
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Energy: 1.5642258743076125
Energy: 1.4932830560144033
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Energy: 1.3555909846719245
Energy: 1.5301726431964964
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Energy: 1.5301726431964964
Energy: 1.3660289775868886
Energy: 1.3555909846719245
Energy: 1.5301726431964964
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Energy: 1.3555909846719245
Energy: 1.5542877560170332
Energy: 1.4080790243087211
Energy: 1.4077669193298619
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Energy: 1.4080790243087211
Energy: 1.4077669193298619
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Energy: 1.4077669193298619
Energy: 1.5542877560170332
Energy: 1.3555765854079374
Energy: 1.3663225613265997
Energy: 1.530031867588779
Energy: 1.3555765854079374
Energy: 1.3663225613265997
Energy: 1.530031867588779
Energy: 1.3555765854079374
Energy: 1.3663225613265997
Energy: 1.530031867588779
Energy: 1.3555765854079374
Energy: 1.558220422350524
Energy: 1.4989555134605443
Energy: 1.4935118637974845
Energy: 1.558220422350524
Energy: 1.4989555134605443
Energy: 1.4935118637974845
Energy: 1.558220422350524
Energy: 1.4989555134605443
Energy: 1.4935118637974845
Energy: 1.558220422350524
Energy: 1.5619476309258595
Energy: 1.3479027618667738
Energy: 1.3608058461044454
Energy: 1.561947630923194
Energy: 1.3479027618641084
Energy: 1.3608058461044454
Energy: 1.561947630923194
Energy: 1.3479027618667738
Energy: 1.3608058461044454
Energy: 1.561947630923194
Energy: 1.4152732094641234
Energy: 1.5023700075638518
Energy: 1.3528280115533025
Energy: 1.4152732094667886
Energy: 1.5023700075638518
Energy: 1.3528280115533025
Energy: 1.4152732094641234
Energy: 1.5023700075665172
Energy: 1.3528280115533025
Energy: 1.4152732094667886

minimum gb energy = 1.347613831827724 eV
minimum distance =  2.17089488438257 Angstroms
sigma value = 293


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

Energy: 1.352995130062864
Energy: 1.354313290890741
Energy: 1.3543788317555585
Energy: 1.352995130062864
Energy: 1.3543132908912225
Energy: 1.3543788317550767
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Energy: 1.354313290890741
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Energy: 1.3517794309175704
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Energy: 1.353697617349602
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Energy: 1.4202474101226992
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Energy: 1.420063920555265
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Energy: 1.3517485540406182
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Energy: 1.420239198394648
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Energy: 1.3543132908912225
Energy: 1.3536976173491204
Energy: 1.3541408310366394
Energy: 1.3517794309170885
Energy: 1.3536976173486386
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Energy: 1.353697617349602
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Energy: 1.3536976173486386
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Energy: 1.3517800627340084
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Energy: 1.354001222027241
Energy: 1.3535881046016638
Energy: 1.351515396710006
Energy: 1.3540012220277229
Energy: 1.3535881046016638
Energy: 1.351515396710006
Energy: 1.3540012220267592
Energy: 1.353588104601182
Energy: 1.351515396710006
Energy: 1.3529951300633456
Energy: 1.3543132908912225
Energy: 1.3543788317550767
Energy: 1.352995130062864
Energy: 1.3543132908897777
Energy: 1.3543788317560401
Energy: 1.3529951300633456
Energy: 1.3543132908897777
Energy: 1.3543788317550767
Energy: 1.3529951300633456
Energy: 1.3517794309175704
Energy: 1.3536976173491204
Energy: 1.354140831038566
Energy: 1.3517794309175704
Energy: 1.3536976173486386
Energy: 1.3541408310371212
Energy: 1.3517794309175704
Energy: 1.3536976173491204
Energy: 1.3541408310376026
Energy: 1.3517794309170885
Energy: 1.3517028306164758
Energy: 1.3517485540415817
Energy: 1.420248082851674
Energy: 1.3517028306155123
Energy: 1.3517485540411
Energy: 1.4202525141406817
Energy: 1.3517028306169574
Energy: 1.3517485540425453
Energy: 1.4202594033398903
Energy: 1.351702830615994
Energy: 1.420250589685946
Energy: 1.351780062734972
Energy: 1.3518754710794567
Energy: 1.420248184188988
Energy: 1.3517800627340084
Energy: 1.3518754710780114
Energy: 1.4202567845902103
Energy: 1.3517800627340084
Energy: 1.3518754710780114
Energy: 1.420232492988157
Energy: 1.354001222027241
Energy: 1.3535881046021454
Energy: 1.3515153967109697
Energy: 1.3540012220262776
Energy: 1.3535881046021454
Energy: 1.3515153967090425
Energy: 1.354001222027241
Energy: 1.3535881046016638
Energy: 1.3515153967104878
Energy: 1.3540012220277229
Energy: 1.3543132908912225
Energy: 1.3543788317560401
Energy: 1.3529951300623821
Energy: 1.3543132908912225
Energy: 1.3543788317555585
Energy: 1.3529951300633456
Energy: 1.3543132908902593
Energy: 1.3543788317550767
Energy: 1.3529951300633456
Energy: 1.3543132908897777
Energy: 1.3536976173486386
Energy: 1.3541408310376026
Energy: 1.3517794309180522
Energy: 1.353697617349602
Energy: 1.3541408310366394
Energy: 1.3517794309185338
Energy: 1.3536976173491204
Energy: 1.3541408310361576
Energy: 1.3517794309180522
Energy: 1.3536976173491204

minimum gb energy = 1.3515153967090425 eV
minimum distance =  2.25069418566829 Angstroms
sigma value = 15


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

Energy: 1.4645299673102883
Energy: 1.4962133859416107
Energy: 1.526509763852424
Energy: 1.4433978183633926
Energy: 1.4962133859372433
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Energy: 1.464529967312472
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Energy: 1.5795178017313085
Energy: 1.5885926864308355
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Energy: 1.5795178017291247
Energy: 1.588592686428652
Energy: 1.5381621906265202
Energy: 1.5795178017313085
Energy: 1.5885926864330193
Energy: 1.4339384871963254
Energy: 1.338242314406017
Energy: 1.3911248326122445
Energy: 1.4022579582857577
Energy: 1.3377816231211923
Energy: 1.3911248326122445
Energy: 1.4339384871985092
Energy: 1.3382423144082007
Energy: 1.391124832614428
Energy: 1.4022579582639205
Energy: 1.4299181264897476
Energy: 1.3565981824676132
Energy: 1.4970296689951732
Energy: 1.429918126487564
Energy: 1.3565981824676132
Energy: 1.4970296689951732
Energy: 1.4299181264853804
Energy: 1.3565981824654294
Energy: 1.4970296689929892
Energy: 1.4299181264897476
Energy: 1.5417774714427464
Energy: 1.5300786693848725
Energy: 1.3637809341107017
Energy: 1.5417774714405628
Energy: 1.5300786693848725
Energy: 1.3638131112130798
Energy: 1.5417774714427464
Energy: 1.5300786693848725
Energy: 1.3637809341085179
Energy: 1.5417774714471137
Energy: 1.347400463641092
Energy: 1.472887726653905
Energy: 1.492797172396107
Energy: 1.347400463638908
Energy: 1.4728877266517213
Energy: 1.492797172396107
Energy: 1.347400463641092
Energy: 1.4728877266517213
Energy: 1.492797172396107
Energy: 1.347400463641092
Energy: 1.4636207072280862
Energy: 1.4813021040020822
Energy: 1.4347087993735206
Energy: 1.4426440652577932
Energy: 1.4813021039998984
Energy: 1.4347087993735206
Energy: 1.4636207072302698
Energy: 1.4813021039998984
Energy: 1.4347087993757042
Energy: 1.4426440652556096
Energy: 1.4644485753941472
Energy: 1.5569057173219307
Energy: 1.482650057963483
Energy: 1.442896474992347
Energy: 1.5569057173219307
Energy: 1.4769639788059201
Energy: 1.464448575396331
Energy: 1.5569057173241145
Energy: 1.482650057963483
Energy: 1.442896474992347
Energy: 1.3492210901600579
Energy: 1.6177121446055704
Energy: 1.4835534628999822
Energy: 1.3492210901622415
Energy: 1.617712144607754
Energy: 1.4835534629021658
Energy: 1.3492210901622415
Energy: 1.6177121446055704
Energy: 1.4835534628977987
Energy: 1.3492210901600579
Energy: 1.5735853488438034
Energy: 1.3611551334293925
Energy: 1.5286795902892378
Energy: 1.5735853488438034
Energy: 1.3611551334337602
Energy: 1.5286795902914214
Energy: 1.5735853488438034
Energy: 1.3611551334315763
Energy: 1.528679590293605
Energy: 1.5735853488459872
Energy: 1.5868102222373788
Energy: 1.5042959953540291
Energy: 1.3646001347844356
Energy: 1.5868102222373788
Energy: 1.5042959953518453
Energy: 1.3658304102410466
Energy: 1.5868102222373788
Energy: 1.5042959953496617
Energy: 1.364600134782252
Energy: 1.5868102222395624
Energy: 1.5587569835133952
Energy: 1.4223957668436598
Energy: 1.3537646740218752
Energy: 1.5587569835112116
Energy: 1.4223957668414762
Energy: 1.3537646740262426
Energy: 1.5587569835112116
Energy: 1.4223957668436598
Energy: 1.353764674024059
Energy: 1.5587569835090278
Energy: 1.498596119587952
Energy: 1.4903679098097367
Energy: 1.362735946263298
Energy: 1.498596119587952
Energy: 1.4903679098097367
Energy: 1.362735946263298
Energy: 1.4985961195857684
Energy: 1.4903679098119202
Energy: 1.3627359462589306
Energy: 1.498596119587952
Energy: 1.5862066992121673
Energy: 1.4236478076112968
Energy: 1.361841633430229
Energy: 1.5862066992121673
Energy: 1.4236478076156642
Energy: 1.3618416334324126
Energy: 1.5862066992121673
Energy: 1.4236478076134804
Energy: 1.3618416334324126
Energy: 1.5862066992121673
Energy: 1.3668315087591516
Energy: 1.4879793275082511
Energy: 1.4734592085818063
Energy: 1.3668315087591516
Energy: 1.4879793275082511
Energy: 1.4734592085818063
Energy: 1.3668315087591516
Energy: 1.4879793275082511
Energy: 1.4734592085839902
Energy: 1.3668315087591516
Energy: 1.4851851964137932
Energy: 1.44696136091296
Energy: 1.4343772581701015
Energy: 1.4851851964159768
Energy: 1.4469221429935064
Energy: 1.4344749909973242
Energy: 1.4851851964137932
Energy: 1.4469613609107763
Energy: 1.4343772581722851
Energy: 1.4851851964116092
Energy: 1.69823004364204
Energy: 1.3446876959250418
Energy: 1.457290359976452
Energy: 1.69823004364204
Energy: 1.3446876959250418
Energy: 1.457290359976452
Energy: 1.6982300436442241
Energy: 1.344687695922858
Energy: 1.457290359976452
Energy: 1.6982300436442241
Energy: 1.4436956707038948
Energy: 1.7050676293912728
Energy: 1.4432859815242716
Energy: 1.4436956707038948
Energy: 1.7050676293934564
Energy: 1.4432859815220878
Energy: 1.4436956707017112
Energy: 1.7050676293912728
Energy: 1.443285981519904
Energy: 1.4436956707038948
Energy: 1.4785153769169528
Energy: 1.3387583428103613
Energy: 1.7290490328562313
Energy: 1.4785153769169528
Energy: 1.3387597551890604
Energy: 1.7290490328540475
Energy: 1.4785153769191364
Energy: 1.338758342812545
Energy: 1.7290490328562313
Energy: 1.4785153769191364
Energy: 1.4193618301144986
Energy: 1.3833634789497111
Energy: 1.4846235810634785
Energy: 1.4193618301144986
Energy: 1.383363478951895
Energy: 1.4846235810656623
Energy: 1.4193618301166822
Energy: 1.383363478951895
Energy: 1.4846235810634785
Energy: 1.4193618301166822
Energy: 1.485969054088985
Energy: 1.4229084410861315
Energy: 1.3623451076217195
Energy: 1.4859690540868014
Energy: 1.4229084410861315
Energy: 1.3623476431627175
Energy: 1.4859690540868014
Energy: 1.4229084410861315
Energy: 1.3623451076217195
Energy: 1.485969054088985
Energy: 1.356583097163233
Energy: 1.4079454536691867
Energy: 1.5295591663187864
Energy: 1.3565830971654167
Energy: 1.407945453667003
Energy: 1.5295591663187864
Energy: 1.356583097163233
Energy: 1.4079454536691867
Energy: 1.529559166314419
Energy: 1.356583097163233
Energy: 1.40460240621677
Energy: 1.4878465511876577
Energy: 1.5229210464409446
Energy: 1.4046354064494475
Energy: 1.487846551185474
Energy: 1.5229210464365772
Energy: 1.4046024062124025
Energy: 1.487846551185474
Energy: 1.5229210464387608
Energy: 1.4046354064494475

minimum gb energy = 1.3374998759690506 eV
minimum distance =  2.18125281374589 Angstroms
sigma value = 437


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

Energy: 1.379880985159987
Energy: 1.4553458405171598
Energy: 1.4874958539852374
Energy: 1.307579522307243
Energy: 1.4553458405163642
Energy: 1.4874958539876242
Energy: 1.3798809851576002
Energy: 1.4553458405171598
Energy: 1.4874958539868286
Energy: 1.307579522307243
Energy: 1.5675156321303574
Energy: 1.275363838718818
Energy: 1.4365295297479737
Energy: 1.5675156321303574
Energy: 1.2753638387180224
Energy: 1.4365295297463825
Energy: 1.5675156321279704
Energy: 1.2753638387212047
Energy: 1.4365295297487692
Energy: 1.5675156321279704
Energy: 1.466660963025386
Energy: 1.3229094373734527
Energy: 1.5026181611820837
Energy: 1.4666609630261815
Energy: 1.3229094373734527
Energy: 1.5026181611796967
Energy: 1.4666609630269771
Energy: 1.3229094373750439
Energy: 1.5026181611796967
Energy: 1.4666609630277727
Energy: 1.3997368538443056
Energy: 1.504514616644219
Energy: 1.3969745644571707
Energy: 1.3997368538458967
Energy: 1.5045146166466055
Energy: 1.3969745644571707
Energy: 1.3997368538474877
Energy: 1.50451461664581
Energy: 1.3969745644563751
Energy: 1.3997368538458967
Energy: 1.3809349391301486
Energy: 1.2965334202886336
Energy: 1.6699220079117865
Energy: 1.380934939129353
Energy: 1.2965334202894292
Energy: 1.6699220079101955
Energy: 1.380934939129353
Energy: 1.2965334202894292
Energy: 1.669922007903831
Energy: 1.3809349391269663
Energy: 1.4057946306151152
Energy: 1.5118035428206669
Energy: 1.2737088056032062
Energy: 1.4057946306151152
Energy: 1.5118035428198717
Energy: 1.2737088056055927
Energy: 1.4057946306135243
Energy: 1.5118035428206669
Energy: 1.2737088056047972
Energy: 1.4057946306151152
Energy: 1.5387893859342454
Energy: 1.3645945540025395
Energy: 1.3228452140594988
Energy: 1.5387893859358364
Energy: 1.3645945540025395
Energy: 1.323322813025603
Energy: 1.5387893859366322
Energy: 1.3645945540025395
Energy: 1.3228452140594988
Energy: 1.5387893859350408
Energy: 1.3278896173989272
Energy: 1.4153971410825055
Energy: 1.3796496833934198
Energy: 1.3278896173981316
Energy: 1.4153971410833013
Energy: 1.379649683395011
Energy: 1.3278896173981316
Energy: 1.415397141084892
Energy: 1.3796496833926242
Energy: 1.3278896173973358
Energy: 1.7498504996543016
Energy: 1.3186926630379487
Energy: 1.3056143666384648
Energy: 1.7498504996527107
Energy: 1.318692663035562
Energy: 1.3056143666384648
Energy: 1.7498504996535063
Energy: 1.3186926630363576
Energy: 1.3056143666384648
Energy: 1.7498504996543016
Energy: 1.4593274332494666
Energy: 1.4210089894807278
Energy: 1.4263483748071621
Energy: 1.3959491539631916
Energy: 1.421008989467999
Energy: 1.4263483462074653
Energy: 1.459327433248671
Energy: 1.4210089894735676
Energy: 1.4263483817158864
Energy: 1.3959491539639872
Energy: 1.3719975526545294
Energy: 1.2727445136557605
Energy: 1.3808249815924745
Energy: 1.3719975526529384
Energy: 1.272744513654965
Energy: 1.3808249815924745
Energy: 1.3719975526521428
Energy: 1.2727445136557605
Energy: 1.3808249815924745
Energy: 1.371997552653734
Energy: 1.3928489696342792
Energy: 1.297307803817689
Energy: 1.361163935675694
Energy: 1.3928489696374613
Energy: 1.2973078038168935
Energy: 1.361163935678876
Energy: 1.3928489696374613
Energy: 1.297307803817689
Energy: 1.3611639356820586
Energy: 1.3928489696390525
Energy: 1.3552041689525418
Energy: 1.5433036995770615
Energy: 1.3447651146661896
Energy: 1.3549282101011506
Energy: 1.54330369957547
Energy: 1.3558908093850517
Energy: 1.3552041689533374
Energy: 1.5433036995770615
Energy: 1.344765114667781
Energy: 1.3549282101035374
Energy: 1.3387498806016058
Energy: 1.298378574798163
Energy: 1.381198094343721
Energy: 1.3387498806016058
Energy: 1.298378574798163
Energy: 1.3811980943612232
Energy: 1.3387498806039924
Energy: 1.2983785747989585
Energy: 1.3811980943572455
Energy: 1.338749880604788

minimum gb energy = 1.272744513654965 eV
minimum distance =  2.19537027149753 Angstroms
sigma value = 33