Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.859877958893776
cohesive_energy=4.349013510620066
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016444363559678054
Energy: 0.5127170036107639
Energy: 0.016444363559678054
Energy: 0.5127170036107639
Energy: 0.016444363559678054
Energy: 0.5127170036103548
Energy: 0.016444363559678054
Energy: 0.017335406281318914
Energy: 0.6125070112383629
Energy: 0.017335406280909783
Energy: 0.6125070112383629
Energy: 0.017335406281318914
Energy: 0.6125070112383629
Energy: 0.017335406280909783
Energy: 1.1271002598031166
Energy: 0.5401942384594827
Energy: 1.9433222048081842
Energy: 0.5401942383255375
Energy: 0.01694134687300656
Energy: 0.5401942384067046
Energy: 0.016941346872597428
Energy: 0.017335406281728048
Energy: 0.612507011238772
Energy: 0.017335406280909783
Energy: 0.6125070112383629
Energy: 0.017335406280909783
Energy: 0.6125070112383629
Energy: 0.017335406281318914
Energy: 0.01644436356008719
Energy: 0.5127170036111731
Energy: 0.016444363559678054
Energy: 0.5127170036107639
Energy: 0.016444363559678054
Energy: 0.5127170036107639
Energy: 0.016444363559678054
Energy: 0.017335406281318914
Energy: 0.6125070112379538
Energy: 0.017335406281318914
Energy: 0.612507011238772
Energy: 0.017335406281318914
Energy: 0.6125070112383629
Energy: 0.017335406280909783

minimum gb energy = 0.016444363559678054 eV
minimum distance =  2.47147833061645 Angstroms
sigma value = 5


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

Energy: 1.4524120920685195
Energy: 1.7748929105643432
Energy: 1.4524120920690082
Energy: 1.774892910564832
Energy: 1.4524120920680308
Energy: 1.774892910564832
Energy: 1.4524120920690082
Energy: 1.5021040764708244
Energy: 1.43858228342627
Energy: 1.5021040764718019
Energy: 1.4385822834272475
Energy: 1.5021040764713132
Energy: 1.4385822834267588
Energy: 1.5021040764713132
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Energy: 1.3236362225289844
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Energy: 1.260023207148773
Energy: 1.4214538164635049
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Energy: 1.260023207146818
Energy: 1.4214538164639936
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Energy: 1.3678371155874203
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Energy: 1.3678371155869316
Energy: 1.2492022913291885
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Energy: 1.4644145515010087
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Energy: 1.514650517004485
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Energy: 1.2729694031597643
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Energy: 1.5087223439958386
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Energy: 1.6841481750108935
Energy: 1.3823427741891225
Energy: 1.6841481750108935
Energy: 1.3823427741891225
Energy: 1.6841481750108935
Energy: 1.3823427741891225
Energy: 1.4141058525136805
Energy: 1.3849261170361478
Energy: 1.4141058525131918
Energy: 1.3849261169472438
Energy: 1.4141058525127033
Energy: 1.3849261170249068
Energy: 1.4141058525136805
Energy: 1.3422342127947893
Energy: 1.386231845724964
Energy: 1.342234212795278
Energy: 1.3862318457244753
Energy: 1.3422342127943006
Energy: 1.3862318457244753
Energy: 1.3422342127943006
Energy: 1.3445729862752323
Energy: 1.3759746689116066
Energy: 1.3445729862762097
Energy: 1.37597466891796
Energy: 1.344572986275721
Energy: 1.375974668916005
Energy: 1.344572986275721
Energy: 1.280045259274882
Energy: 1.3903559358187745
Energy: 1.2800452592753708
Energy: 1.3903559358182858
Energy: 1.280045259274882
Energy: 1.3903559358187745
Energy: 1.280045259274882
Energy: 1.3133946683538062
Energy: 1.37730298404058
Energy: 1.313394668354295
Energy: 1.3773029840400912
Energy: 1.3133946683547837
Energy: 1.3773029840415574
Energy: 1.313394668354295

minimum gb energy = 1.2357876882232028 eV
minimum distance =  2.29173374469995 Angstroms
sigma value = 401


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

Energy: 1.4663109171317552
Energy: 1.5095975059032105
Energy: 1.4663109171306454
Energy: 1.5095975059043198
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Energy: 1.3957094976268607
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Energy: 1.433065640029188
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Energy: 1.433065640029188
Energy: 1.4347176349274806
Energy: 1.4967311050375942
Energy: 1.4347176349280355
Energy: 1.4967311050364847
Energy: 1.4347176349280355
Energy: 1.4967311050364847
Energy: 1.4347176349285902
Energy: 1.4579568049001637
Energy: 1.4667304554999867
Energy: 1.4579568048996088
Energy: 1.4667304554999867
Energy: 1.457956804899054
Energy: 1.4667304555005416
Energy: 1.457956804899054
Energy: 1.284316722844256
Energy: 1.4956563901309732
Energy: 1.284316722844256
Energy: 1.4956563901315283
Energy: 1.2843167228453656
Energy: 1.4956563901315283
Energy: 1.2843167228437014
Energy: 1.3263603868666902
Energy: 1.4952704873591753
Energy: 1.3263603868666902
Energy: 1.4952704873591753
Energy: 1.3263603868666902
Energy: 1.49527048735973
Energy: 1.3263603868666902
Energy: 1.3101867139006214
Energy: 1.3695076046135857
Energy: 1.3101867139000667
Energy: 1.3695076046130308
Energy: 1.3101867139006214
Energy: 1.3695076046135857
Energy: 1.3101867139000667
Energy: 1.3252317763943642
Energy: 1.5295909238920369
Energy: 1.3252317763943642
Energy: 1.5295909238914822
Energy: 1.3252317763949188
Energy: 1.5295909238920369
Energy: 1.3252317763938093
Energy: 1.37764355882529
Energy: 1.5095975059048747
Energy: 1.37764355882529
Energy: 1.509597505906539
Energy: 1.3776435588258444
Energy: 1.5095975059054294
Energy: 1.37764355882529
Energy: 1.315300616029635
Energy: 1.4264747460316378
Energy: 1.31530061603019
Energy: 1.4264747460321927
Energy: 1.31530061603019
Energy: 1.4264747460321927
Energy: 1.31530061603019

minimum gb energy = 1.2843167228431465 eV
minimum distance =  2.26785496919247 Angstroms
sigma value = 311


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

Energy: 1.386863162559306
Energy: 1.450350457560426
Energy: 1.3868631625586652
Energy: 1.450350457560426
Energy: 1.3868631625586652
Energy: 1.450350457560426
Energy: 1.3868631625586652
Energy: 1.3584157318272783
Energy: 1.3643304077011214
Energy: 1.3584157318279189
Energy: 1.3643304077017617
Energy: 1.3584157318279189
Energy: 1.3643304077017617
Energy: 1.3584157318272783
Energy: 1.258127537850476
Energy: 1.3983415937383148
Energy: 1.2581275378498356
Energy: 1.3983415937383148
Energy: 1.258127537850476
Energy: 1.3983415937376742
Energy: 1.2581275378498356
Energy: 1.4627846092592178
Energy: 1.527932040895802
Energy: 1.4627846092585772
Energy: 1.5279320408951613
Energy: 1.4627846092592178
Energy: 1.527932040895802
Energy: 1.4627846092585772
Energy: 1.410049954728547
Energy: 1.481751467022813
Energy: 1.4100499547291876
Energy: 1.481751467022813
Energy: 1.4100499547291876
Energy: 1.481751467022813
Energy: 1.4100499547291876
Energy: 1.3614372117617595
Energy: 1.4867435850706174
Energy: 1.3614372117617595
Energy: 1.4867435850706174
Energy: 1.3614372117617595
Energy: 1.4867435850706174
Energy: 1.3614372117617595
Energy: 1.3907802521260433
Energy: 1.4989699023633098
Energy: 1.390780252126684
Energy: 1.4989699023633098
Energy: 1.3907802521260433
Energy: 1.4989699023633098
Energy: 1.390780252126684
Energy: 1.454784914219671
Energy: 1.4395870617013682
Energy: 1.454784914219671
Energy: 1.4395870617013682
Energy: 1.454784914219671
Energy: 1.4395870617007276
Energy: 1.454784914219671
Energy: 1.422858062173149
Energy: 1.471852025121412
Energy: 1.422858062173149
Energy: 1.4718520251207714
Energy: 1.4228580621737894
Energy: 1.471852025121412
Energy: 1.422858062173149
Energy: 1.2464716936271107
Energy: 1.3629865637113678
Energy: 1.2464716936271107
Energy: 1.3629865637113678
Energy: 1.2464716936271107
Energy: 1.3629865637113678
Energy: 1.2464716936271107
Energy: 1.304825827718441
Energy: 1.3876557109385377
Energy: 1.304825827718441
Energy: 1.3876557109385377
Energy: 1.3048258277178002
Energy: 1.3876557109385377
Energy: 1.304825827718441
Energy: 1.4998379132805033
Energy: 1.488677930099711
Energy: 1.4998379132805033
Energy: 1.4886779300990705
Energy: 1.4998379132811437
Energy: 1.4886779300990705
Energy: 1.4998379132805033
Energy: 1.4442408196328471
Energy: 1.5046864258878148
Energy: 1.4442408196328471
Energy: 1.5046864258878148
Energy: 1.4442408196334875
Energy: 1.5046864258871742
Energy: 1.4442408196322063
Energy: 1.3577321540222733
Energy: 1.4139260111401624
Energy: 1.357732154022914
Energy: 1.4139260111401624
Energy: 1.357732154022914
Energy: 1.4139260111408027
Energy: 1.357732154022914
Energy: 1.4176734482694175
Energy: 1.5321456073938706
Energy: 1.4176734482687772
Energy: 1.5321456073945112
Energy: 1.4176734482694175
Energy: 1.5321456073938706
Energy: 1.4176734482694175
Energy: 1.3362107444609244
Energy: 1.4833627404584488
Energy: 1.336210744460284
Energy: 1.4833627404584488
Energy: 1.336210744460284
Energy: 1.4833627404584488
Energy: 1.336210744460284
Energy: 1.327374210061956
Energy: 1.3523768253040673
Energy: 1.3273742100613155
Energy: 1.3523768253040673
Energy: 1.327374210061956
Energy: 1.3523768253040673
Energy: 1.3273742100613155
Energy: 1.2718235126403468
Energy: 1.3865275064185774
Energy: 1.2718235126397062
Energy: 1.3865275064185774
Energy: 1.2718235126403468
Energy: 1.3865275064185774
Energy: 1.2718235126403468
Energy: 1.5014617537284045
Energy: 1.522428506006088
Energy: 1.4497029836953015
Energy: 1.522428506006088
Energy: 1.4497029836953015
Energy: 1.522428506006088
Energy: 1.449702983695942
Energy: 1.447247756612001
Energy: 1.446543802665791
Energy: 1.447247756612001
Energy: 1.446543802665791
Energy: 1.447247756612001
Energy: 1.446543802665791
Energy: 1.447247756612001
Energy: 1.3761486710831108
Energy: 1.3940337140257222
Energy: 1.3761486710831108
Energy: 1.3940337140257222
Energy: 1.3761486710831108
Energy: 1.3940337140257222
Energy: 1.3761486710831108
Energy: 1.4012561381830342
Energy: 1.5124241867434438
Energy: 1.4012561381830342
Energy: 1.5124241867434438
Energy: 1.4012561381830342
Energy: 1.5124241867434438
Energy: 1.4012561381830342
Energy: 1.389323874707199
Energy: 1.3752797583408063
Energy: 1.3893238747078396
Energy: 1.3752797583408063
Energy: 1.3893238747078396
Energy: 1.3752797583408063
Energy: 1.3893238747078396
Energy: 1.4813730763547048
Energy: 1.4634641444632455
Energy: 1.4813730763547048
Energy: 1.4634641444632455
Energy: 1.4813730763547048
Energy: 1.4634641444632455
Energy: 1.4813730763547048
Energy: 1.2536060513641645
Energy: 1.3911443994092174
Energy: 1.253606051364805
Energy: 1.3911443994092174
Energy: 1.2536060513641645
Energy: 1.3911443994092174
Energy: 1.253606051364805
Energy: 1.3923660346791815
Energy: 1.5058025922540674
Energy: 1.3923660346791815
Energy: 1.5058025922540674
Energy: 1.3923660346791815
Energy: 1.5058025922540674
Energy: 1.3923660346791815
Energy: 1.4009633245100874
Energy: 1.4628737042682527
Energy: 1.4009633245094468
Energy: 1.4628737042682527
Energy: 1.4009633245100874
Energy: 1.4628737042682527
Energy: 1.4009633245100874
Energy: 1.4431447952324408
Energy: 1.5127497827590703
Energy: 1.4431447952318002
Energy: 1.5127497827584295
Energy: 1.4431447952318002
Energy: 1.5127497827590703
Energy: 1.4431447952318002
Energy: 1.3812326878730459
Energy: 1.393475854241923
Energy: 1.3812326878730459
Energy: 1.393475854241923
Energy: 1.3812326878736865
Energy: 1.393475854241923
Energy: 1.3812326878730459
Energy: 1.448240120759407
Energy: 1.5284581556350096
Energy: 1.448240120759407
Energy: 1.5284581556350096
Energy: 1.448240120759407
Energy: 1.528458155634369
Energy: 1.448240120759407
Energy: 1.4016578898231864
Energy: 1.451112069804593
Energy: 1.4016578898231864
Energy: 1.451112069804593
Energy: 1.4016578898231864
Energy: 1.4511120698052336
Energy: 1.4016578898231864
Energy: 1.289322962636447
Energy: 1.3799873128807454
Energy: 1.289322962636447
Energy: 1.3799873128807454
Energy: 1.289322962636447
Energy: 1.3799873128807454
Energy: 1.289322962636447
Energy: 1.2709548540935527
Energy: 1.2944688890606313
Energy: 1.2709548540935527
Energy: 1.2944688890606313
Energy: 1.2709548540941933
Energy: 1.2944688890606313
Energy: 1.2709548540935527
Energy: 1.4438379827072183
Energy: 1.5347544673129285
Energy: 1.4438379827065777
Energy: 1.5347544673135691
Energy: 1.4438379827065777
Energy: 1.5347544673135691
Energy: 1.4438379827072183
Energy: 1.4846954922965516
Energy: 1.511896412634515
Energy: 1.4846954922965516
Energy: 1.5118964126338743
Energy: 1.4846954922965516
Energy: 1.5118964126351557
Energy: 1.4846954922959108
Energy: 1.354384860890758
Energy: 1.416518324669107
Energy: 1.3543848608913986
Energy: 1.4165183246684665
Energy: 1.354384860890758
Energy: 1.4165183246684665
Energy: 1.3543848608913986

minimum gb energy = 1.2464716936271107 eV
minimum distance =  2.25016519954313 Angstroms
sigma value = 39


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

Energy: 1.3070942375630605
Energy: 1.3760134571896665
Energy: 1.3070942375630605
Energy: 1.3760134571904223
Energy: 1.3070942375630605
Energy: 1.3760134571904223
Energy: 1.3070942375630605
Energy: 1.3702582398500254
Energy: 1.3184432197161973
Energy: 1.3702582398500254
Energy: 1.3184432197161973
Energy: 1.3702582398492693
Energy: 1.3184432197161973
Energy: 1.3702582398492693
Energy: 1.346277391101867
Energy: 1.3392003307344895
Energy: 1.3462773911026231
Energy: 1.3392003307337337
Energy: 1.3462773911026231
Energy: 1.3392003307337337
Energy: 1.346277391101867
Energy: 1.488402148344611
Energy: 1.2983149034463566
Energy: 1.4884021483430991
Energy: 1.2983149034463566
Energy: 1.4884021483430991
Energy: 1.2983149034463566
Energy: 1.4884021483430991
Energy: 1.4240109111752772
Energy: 1.2863194057596747
Energy: 1.4240109111752772
Energy: 1.2863194057589187
Energy: 1.4240109111760333
Energy: 1.2863194057596747
Energy: 1.4240109111767894
Energy: 1.3755124983524796
Energy: 1.2512066121169076
Energy: 1.3755124983517233
Energy: 1.2512066121169076
Energy: 1.3755124983524796
Energy: 1.2512066121169076
Energy: 1.3755124983517233
Energy: 1.5060464242509422
Energy: 1.2385066095807644
Energy: 1.5249235736279794
Energy: 1.2385066095807644
Energy: 1.5249235736279794
Energy: 1.2385066095807644
Energy: 1.6149373147846515
Energy: 1.3952304968973361
Energy: 1.2120646484379323
Energy: 1.3952304968980924
Energy: 1.2120646484379323
Energy: 1.3952304968988483
Energy: 1.2120646484386886
Energy: 1.3952304969003602
Energy: 1.4484226368135718
Energy: 1.2120749712663343
Energy: 1.4484226368150839
Energy: 1.2120749712663343
Energy: 1.4484226368150839
Energy: 1.2120749712655785
Energy: 1.4484226368150839
Energy: 1.3490488512668994
Energy: 1.3774241947682464
Energy: 1.3490488512668994
Energy: 1.3774241947690022
Energy: 1.3490488512676557
Energy: 1.3774241947690022
Energy: 1.3490488512668994
Energy: 1.5132462105205278
Energy: 1.3532672255597935
Energy: 1.5132462105212838
Energy: 1.3532672255590374
Energy: 1.440870056411454
Energy: 1.3532672255590374
Energy: 1.4408700564122097
Energy: 1.3875396794675139
Energy: 1.296645826842466
Energy: 1.3875396794675139
Energy: 1.296645826842466
Energy: 1.3875396794675139
Energy: 1.296645826842466
Energy: 1.3875396794675139
Energy: 1.396674971706407
Energy: 1.309481351321181
Energy: 1.396674971704139
Energy: 1.309481351321181
Energy: 1.396674971701115
Energy: 1.309481351321181
Energy: 1.396674971700359
Energy: 1.4368969296828966
Energy: 1.2866075271576647
Energy: 1.4368969296821408
Energy: 1.2866075271584205
Energy: 1.4368969296836527
Energy: 1.2866075271576647
Energy: 1.4368969296821408
Energy: 1.3483194991180258
Energy: 1.3749373650578065
Energy: 1.3481306786377723
Energy: 1.3749373650578065
Energy: 1.3483194990424598
Energy: 1.3749373650578065
Energy: 1.3798135554903315
Energy: 1.4370846592157462
Energy: 1.2074031269560528
Energy: 1.4370846592187705
Energy: 1.2074031269560528
Energy: 1.4370846592180144
Energy: 1.2074031269560528
Energy: 1.4370846592149904
Energy: 1.327681206089311
Energy: 1.2205041170092414
Energy: 1.327689692094712
Energy: 1.2205041170099975
Energy: 1.327843785854765
Energy: 1.2205041170099975
Energy: 1.327689934101525
Energy: 1.3272145655187635
Energy: 1.2117158058706734
Energy: 1.3272145655187635
Energy: 1.2117158058714292
Energy: 1.3272145655217873
Energy: 1.2117158058706734
Energy: 1.3272145655164953
Energy: 1.4572873694596724
Energy: 1.3771018893565568
Energy: 1.4572873694604285
Energy: 1.3771018893565568
Energy: 1.4572873694604285
Energy: 1.3771018893565568
Energy: 1.4572873694611843
Energy: 1.3493873092864563
Energy: 1.3863035918527304
Energy: 1.3493873092872124
Energy: 1.3863035918527304
Energy: 1.3493873092864563
Energy: 1.3863035918527304
Energy: 1.3493873092857005
Energy: 1.4688478960900635
Energy: 1.288999304656128
Energy: 1.468847896243464
Energy: 1.288999304656128
Energy: 1.4688478958966296
Energy: 1.2889993046568837
Energy: 1.4688478961127436
Energy: 1.4060081438953034
Energy: 1.2972897345649632
Energy: 1.4060081438953034
Energy: 1.2972897345657193
Energy: 1.4060081438945475
Energy: 1.2972897345649632
Energy: 1.4060081438953034
Energy: 1.5615154132689124
Energy: 1.312691485041564
Energy: 1.5615154132696685
Energy: 1.3126914850423201
Energy: 1.5615154132689124
Energy: 1.3126914850423201
Energy: 1.5615154132696685
Energy: 1.4031205455965203
Energy: 1.3226455440626836
Energy: 1.4031205455965203
Energy: 1.3226455440626836
Energy: 1.4031205455965203
Energy: 1.3226455440634393
Energy: 1.4031205455965203
Energy: 1.3992862916779005
Energy: 1.2501267455825817
Energy: 1.3992862916779005
Energy: 1.2501267455825817
Energy: 1.3992862916779005
Energy: 1.2501267455818257
Energy: 1.3992862916786564
Energy: 1.5464637678249347
Energy: 1.2166000699943624
Energy: 1.5464637678249347
Energy: 1.2166000699943624
Energy: 1.5464637678256905
Energy: 1.2166000699936061
Energy: 1.5464637678249347
Energy: 1.2707866047146108
Energy: 1.2592111490037599
Energy: 1.2707866047146108
Energy: 1.259211149002248
Energy: 1.2707866047130987
Energy: 1.259211149002248
Energy: 1.2707866047138547
Energy: 1.3702759023693172
Energy: 1.211649784183651
Energy: 1.3702759023693172
Energy: 1.211649784182895
Energy: 1.370275902370073
Energy: 1.2116497841821392
Energy: 1.3702759023693172
Energy: 1.3070942375645727
Energy: 1.3760134571904223
Energy: 1.3070942375638166
Energy: 1.3760134571904223
Energy: 1.3070942375630605
Energy: 1.3760134571904223
Energy: 1.3070942375638166
Energy: 1.3702582398485135
Energy: 1.3184432197154414
Energy: 1.3702582398492693
Energy: 1.3184432197146854
Energy: 1.3702582398492693
Energy: 1.3184432197161973
Energy: 1.3702582398500254

minimum gb energy = 1.2074031269560528 eV
minimum distance =  2.23849862429971 Angstroms
sigma value = 21


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

Energy: 1.402809590724845
Energy: 1.5349448494554032
Energy: 1.402809590724845
Energy: 1.5349448494554032
Energy: 1.402809590724845
Energy: 1.5349448494554032
Energy: 1.402809590724845
Energy: 1.4273065495709363
Energy: 1.1986545801181854
Energy: 1.427306549571854
Energy: 1.1986545801172677
Energy: 1.4273065495709363
Energy: 1.1986545801181854
Energy: 1.4273065495709363
Energy: 1.4262973539684052
Energy: 1.6309986413231063
Energy: 1.4262973539684052
Energy: 1.6309986413231063
Energy: 1.4262973539684052
Energy: 1.6309986413231063
Energy: 1.4262973539684052
Energy: 1.1955079683242418
Energy: 1.2317056147092234
Energy: 1.1955079683242418
Energy: 1.2317056147092234
Energy: 1.195507968323324
Energy: 1.2317056147092234
Energy: 1.1955079683242418
Energy: 1.188809067453269
Energy: 1.3552620749823274
Energy: 1.188809067453269
Energy: 1.3552620749823274
Energy: 1.1888090674541865
Energy: 1.3552620749823274
Energy: 1.1888090674541865
Energy: 1.1663152257405875
Energy: 1.3379911615832103
Energy: 1.1663152257405875
Energy: 1.3379911615822926
Energy: 1.1663152257405875
Energy: 1.3379911615822926
Energy: 1.1663152257396698
Energy: 1.1792916097812896
Energy: 1.6189524735149436
Energy: 1.1792916097812896
Energy: 1.6189524735140264
Energy: 1.1792916097812896
Energy: 1.6189524735140264
Energy: 1.1792916097822073
Energy: 1.2904176882197578
Energy: 1.225249815407115
Energy: 1.2904176882197578
Energy: 1.2252498154061975
Energy: 1.2904176882197578
Energy: 1.225249815407115
Energy: 1.2904176882206755
Energy: 1.2279524097056762
Energy: 1.2168004173785156
Energy: 1.2279524097056762
Energy: 1.2168004173785156
Energy: 1.2279524097056762
Energy: 1.2168004173785156
Energy: 1.2279524097047585
Energy: 1.1790280821520798
Energy: 1.4480901451392685
Energy: 1.1790280821520798
Energy: 1.4480901451383508
Energy: 1.1790280821520798
Energy: 1.4480901451365153
Energy: 1.1790280821520798
Energy: 1.1470752556833785
Energy: 1.2770445063960483
Energy: 1.1470752556842962
Energy: 1.2770445063960483
Energy: 1.1470752556833785
Energy: 1.2770445063951303
Energy: 1.1470752556842962
Energy: 1.1809841054294414
Energy: 1.2571215180848951
Energy: 1.1809841054294414
Energy: 1.2571215180858129
Energy: 1.1809841054303591
Energy: 1.2571215180858129
Energy: 1.1809841054303591
Energy: 1.206013755098727
Energy: 1.2023943764633633
Energy: 1.2060137550978094
Energy: 1.2023943764642813
Energy: 1.2060137550978094
Energy: 1.2023943764633633
Energy: 1.206013755098727
Energy: 1.3182003421190014
Energy: 1.5862376088764558
Energy: 1.3182003421199193
Energy: 1.5862376088764558
Energy: 1.3182003421199193
Energy: 1.5862376088773738
Energy: 1.3182003421226725
Energy: 1.3043001659340026
Energy: 1.2682558829752644
Energy: 1.3043001659349203
Energy: 1.2682558829752644
Energy: 1.304300165935838
Energy: 1.2682558829752644
Energy: 1.3043001659349203
Energy: 1.3708206451145866
Energy: 1.3569532486281277
Energy: 1.3708206451145866
Energy: 1.3569532486290456
Energy: 1.3708206451145866
Energy: 1.3569532486281277
Energy: 1.3708206451136689
Energy: 1.2963942280195755
Energy: 1.1925268197425458
Energy: 1.296394228020493
Energy: 1.1925268197425458
Energy: 1.2963942280195755
Energy: 1.1925268197425458
Energy: 1.296394228020493
Energy: 1.2625440616675623
Energy: 1.5860499717806877
Energy: 1.2625440616675623
Energy: 1.5860499717806877
Energy: 1.2625440616675623
Energy: 1.5860499717816054
Energy: 1.2625440616675623
Energy: 1.2611102976522184
Energy: 1.226291058233704
Energy: 1.261110297653136
Energy: 1.226291058233704
Energy: 1.2611102976522184
Energy: 1.226291058233704
Energy: 1.2611102976540538
Energy: 1.1884803216197195
Energy: 1.2617567698484613
Energy: 1.1884803216206372
Energy: 1.2617567698484613
Energy: 1.1884803216206372
Energy: 1.2617567698484613
Energy: 1.1884803216206372
Energy: 1.1870154765160488
Energy: 1.347577605746038
Energy: 1.1870154765151313
Energy: 1.347577605746956
Energy: 1.1870154765151313
Energy: 1.347577605746956
Energy: 1.1870154765151313
Energy: 1.1944804775017954
Energy: 1.662752959743759
Energy: 1.1944804775017954
Energy: 1.662752959743759
Energy: 1.1944804775017954
Energy: 1.662752959743759
Energy: 1.1944804775017954
Energy: 1.2828679007580144
Energy: 1.2284726442762843
Energy: 1.2828679007580144
Energy: 1.2284726442762843
Energy: 1.2828679007570967
Energy: 1.2284726442762843
Energy: 1.2828679007570967
Energy: 1.2235218013919238
Energy: 1.260117448544651
Energy: 1.2235218013919238
Energy: 1.260117448544651
Energy: 1.2235218013919238
Energy: 1.260117448544651
Energy: 1.2235218013919238
Energy: 1.190835807917741
Energy: 1.2905915706832463
Energy: 1.190835807917741
Energy: 1.2905915706823285
Energy: 1.190835807917741
Energy: 1.2905915706823285
Energy: 1.190835807917741

minimum gb energy = 1.1470752556833785 eV
minimum distance =  2.30337834388504 Angstroms
sigma value = 113


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

Energy: 1.1397346414097862
Energy: 1.3366057089668708
Energy: 1.1397346414113227
Energy: 1.336605708967383
Energy: 1.1397346414102985
Energy: 1.3366057089684076
Energy: 1.1397346414082496
Energy: 1.146895615586938
Energy: 1.110661998798791
Energy: 1.1468956155854015
Energy: 1.1106619987993034
Energy: 1.1468956155859138
Energy: 1.110661998798791
Energy: 1.146895615586426
Energy: 1.1188771237944144
Energy: 1.2333958165524952
Energy: 1.1188771237949267
Energy: 1.233395816543788
Energy: 1.1188771237949267
Energy: 1.2333958165637637
Energy: 1.1188771237959512
Energy: 1.050892603740751
Energy: 1.0849579382580277
Energy: 1.050892603737678
Energy: 1.0849579382575154
Energy: 1.0508926037417754
Energy: 1.0849579382580277
Energy: 1.050892603737678
Energy: 1.0818831334855026
Energy: 1.2980863637604725
Energy: 1.0818831334870391
Energy: 1.2980863637435702
Energy: 1.081883133489088
Energy: 1.2980863637471556
Energy: 1.081883133489088
Energy: 1.06858999020685
Energy: 1.0750636852767752
Energy: 1.06858999020685
Energy: 1.0750636852767752
Energy: 1.06858999020685
Energy: 1.0750636852772872
Energy: 1.068589990206338
Energy: 1.0729349585540362
Energy: 1.2882357427205346
Energy: 1.0729349585519874
Energy: 1.2882357427184858
Energy: 1.0729349585524997
Energy: 1.2882357427195101
Energy: 1.0729349585540362
Energy: 1.0697686098562622
Energy: 1.045643437110787
Energy: 1.0697686098557502
Energy: 1.0456434371118115
Energy: 1.0697686098567747
Energy: 1.0456434371118115
Energy: 1.0697686098557502
Energy: 1.052569905764657
Energy: 1.2480015014143246
Energy: 1.0525699057697788
Energy: 1.248001501414837
Energy: 1.052569905755437
Energy: 1.2480015014138124
Energy: 1.0525699057579982
Energy: 1.0828682775634488
Energy: 1.0101554033401554
Energy: 1.082868277563961
Energy: 1.010155403339131
Energy: 1.0828682775634488
Energy: 1.010155403339131
Energy: 1.082868277563961
Energy: 1.0329655810143112
Energy: 1.1943099990555806
Energy: 1.0329655810061162
Energy: 1.194309999055068
Energy: 1.0329655810040672
Energy: 1.1943099990555806
Energy: 1.0329655810091891
Energy: 1.0063598330198098
Energy: 1.0513224028892914
Energy: 1.006359832957368
Energy: 1.0513224028898034
Energy: 1.006359832959929
Energy: 1.0513224028903154
Energy: 1.0063598329455874
Energy: 1.0373868734524345
Energy: 1.3211963547947572
Energy: 1.0373868734524345
Energy: 1.3211963547947572
Energy: 1.0373868734524345
Energy: 1.3211963547957815
Energy: 1.0373868734529468
Energy: 1.093256290296538
Energy: 1.0512150050919606
Energy: 1.0932562902975627
Energy: 1.0512150050914484
Energy: 1.093256290296538
Energy: 1.0512150050919606
Energy: 1.093256290296538
Energy: 0.9967679908710553
Energy: 1.0549113037235092
Energy: 0.9967679908705432
Energy: 1.0549113037240214
Energy: 0.9967679908695187
Energy: 1.0549113037235092
Energy: 0.9967679908720799
Energy: 1.0483855891101432
Energy: 1.2289839615892628
Energy: 1.0483855891101432
Energy: 1.2289839615887508
Energy: 1.0483855891106555
Energy: 1.2289839615892628
Energy: 1.048385589112192
Energy: 1.0354940175769731
Energy: 1.011565043583932
Energy: 1.0354940175764609
Energy: 1.01156504358342
Energy: 1.0354940175759486
Energy: 1.011565043583932
Energy: 1.0354940175764609
Energy: 1.0502791600388033
Energy: 1.0656614774333886
Energy: 1.0502791600377792
Energy: 1.0656614774313395
Energy: 1.0502791600362427
Energy: 1.0656614774318518
Energy: 1.050279160035218
Energy: 1.0656237724937578
Energy: 1.075866976131129
Energy: 1.0656237724937578
Energy: 1.0758669761306168
Energy: 1.0656237724932454
Energy: 1.075866976131129
Energy: 1.0656237724947821
Energy: 1.0520212136036104
Energy: 1.2257179791072788
Energy: 1.0520212136041227
Energy: 1.2257179791062545
Energy: 1.0520212136030984
Energy: 1.2257179791077912
Energy: 1.052021213607196
Energy: 1.1532023714440607
Energy: 1.0302424776238586
Energy: 1.1532023714476463
Energy: 1.0302424776233463
Energy: 1.153202371446622
Energy: 1.0302424776233463
Energy: 1.1532023714455972
Energy: 1.1040623511784138
Energy: 1.056730041269092
Energy: 1.1040623511768772
Energy: 1.0567300412685798
Energy: 1.1040623511768772
Energy: 1.0567300412680676
Energy: 1.1040623511743164
Energy: 1.0680450935114971
Energy: 1.0850997395971276
Energy: 1.0680450935120094
Energy: 1.0850997395981519
Energy: 1.0680450935120094
Energy: 1.0850997395976398
Energy: 1.068045093513034
Energy: 1.046662841649282
Energy: 1.2692882528721081
Energy: 1.0466628416436479
Energy: 1.26928825287723
Energy: 1.0466628416441601
Energy: 1.2692882528751812
Energy: 1.0466628416451846
Energy: 1.1780931280179334
Energy: 1.0427387078546078
Energy: 1.1780931280179334
Energy: 1.0427387078555856
Energy: 1.1780931280174214
Energy: 1.04273870785512
Energy: 1.1780931280174214
Energy: 1.1523828039909485
Energy: 1.054718484985225
Energy: 1.1523828039950461
Energy: 1.0547184849703712
Energy: 1.1523828039935093
Energy: 1.0547184849842004
Energy: 1.1523828039955581
Energy: 1.1194827139711792
Energy: 1.2057617166661803
Energy: 1.1194827139701546
Energy: 1.2057617166651557
Energy: 1.1194827139722034
Energy: 1.205761716665668
Energy: 1.1194827139706671
Energy: 1.1037832757129713
Energy: 1.3034140178894984
Energy: 1.103783275712459
Energy: 1.3034140178894984
Energy: 1.1037832757068249
Energy: 1.303414017891035
Energy: 1.1037832757088737
Energy: 1.232342989784847
Energy: 1.0727166286093186
Energy: 1.2323429897843348
Energy: 1.0727166286093186
Energy: 1.232342989785359
Energy: 1.0727166286098309
Energy: 1.2323429897833102
Energy: 1.1351178786117622
Energy: 1.0693646882338594
Energy: 1.1351178786184206
Energy: 1.0693646882323227
Energy: 1.1351178785585399
Energy: 1.0693646882318106
Energy: 1.1351178786245673
Energy: 1.0888951518247743
Energy: 1.2038072199490972
Energy: 1.0888951518247743
Energy: 1.2038072199501217
Energy: 1.0888951518252865
Energy: 1.2038072199501217
Energy: 1.0888951518252865
Energy: 1.048638477285721
Energy: 1.267847249756847
Energy: 1.0486384772872577
Energy: 1.2678472497599205
Energy: 1.048638477285721
Energy: 1.2678472497583837
Energy: 1.0486384772882822
Energy: 1.16266276672683
Energy: 1.0666673211457889
Energy: 1.162662766724269
Energy: 1.066667321146301
Energy: 1.1626627667263176
Energy: 1.0666673211468134
Energy: 1.1626627667252933
Energy: 1.1282535706430556
Energy: 1.062194147164153
Energy: 1.1282535706420314
Energy: 1.0621941471651772
Energy: 1.1282535706430556
Energy: 1.0621941471646652
Energy: 1.1282535706430556
Energy: 1.065797189910557
Energy: 1.219935064217961
Energy: 1.0657971899126057
Energy: 1.219935064217961
Energy: 1.0657971899115815
Energy: 1.219935064217449
Energy: 1.0657971899110692
Energy: 1.0486056007208935
Energy: 1.2080834408820054
Energy: 1.0486056007188447
Energy: 1.2080834408810275
Energy: 1.0486056007178202
Energy: 1.208083440886615
Energy: 1.0486056007178202
Energy: 1.2289426156635403
Energy: 1.007263604720218
Energy: 1.2289426156635403
Energy: 1.0072636047217545
Energy: 1.228942615663028
Energy: 1.0072636047207302
Energy: 1.228942615662516
Energy: 1.05227499419154
Energy: 1.0511105866865122
Energy: 1.0522749941910277
Energy: 1.0511105866854875
Energy: 1.0522749941905156
Energy: 1.0511105866865122
Energy: 1.0522749941900034
Energy: 1.0092679865204681
Energy: 1.0903068528832862
Energy: 1.0092679865179073
Energy: 1.0903068528843105
Energy: 1.009267986515346
Energy: 1.0903068528837985
Energy: 1.009267986516883
Energy: 1.0247153794821862
Energy: 1.2960700555386382
Energy: 1.0247153794821862
Energy: 1.2960700555391502
Energy: 1.0247153794821862
Energy: 1.296070055538126
Energy: 1.0247153794826984
Energy: 1.0886999823203454
Energy: 1.0433219450402111
Energy: 1.0886999823229062
Energy: 1.0433219450391868
Energy: 1.0886999823234182
Energy: 1.0433219450396989
Energy: 1.0886999823229062
Energy: 1.0572703863485309
Energy: 1.0280218095621096
Energy: 1.0572703863475061
Energy: 1.0280218095600608
Energy: 1.0572703863485309
Energy: 1.0280218095600608
Energy: 1.057270386349043
Energy: 1.058311586328426
Energy: 1.2424367152213827
Energy: 1.058311586328426
Energy: 1.242436715221895
Energy: 1.058311586328938
Energy: 1.2424367152213827
Energy: 1.058311586328426
Energy: 1.0354051680977303
Energy: 0.9764418526804257
Energy: 1.035405168097218
Energy: 0.9764418526834989
Energy: 1.035405168097218
Energy: 0.9764418526804257
Energy: 1.0354051680977303
Energy: 1.0324099968801121
Energy: 1.0695826311869918
Energy: 1.0324099968811362
Energy: 1.0695826311869918
Energy: 1.0324099968811362
Energy: 1.0695826311869918
Energy: 1.0324099968806242

minimum gb energy = 0.9764418526804257 eV
minimum distance =  2.25896592636565 Angstroms
sigma value = 365


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

Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 2.2939306206161048
Energy: 1.3136649749508555
Energy: 2.293930620668071
Energy: 1.3136649749508555
Energy: 2.2939306209347023
Energy: 1.3136649749508555
Energy: 2.293930620474141
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 2.385766857467268
Energy: 1.3136649749508555
Energy: 2.3857532972346
Energy: 1.3136649749508555
Energy: 2.293930620789248
Energy: 1.3136649749508555
Energy: 2.2939306205318557
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 2.2939306206726644
Energy: 1.3136649749508555
Energy: 2.2939306205422487
Energy: 1.3136649749508555
Energy: 2.293930620576867
Energy: 1.3136649749508555
Energy: 2.2939306204925916
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 2.293930620541094
Energy: 1.3136649749508555
Energy: 2.2939306204787604
Energy: 1.3136649749508555
Energy: 2.293930620469522
Energy: 1.3136649749508555
Energy: 2.2939306205907246
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 2.2939306207788808
Energy: 1.3136649749508555
Energy: 2.293930620490308
Energy: 1.3136649749508555
Energy: 2.293930620544558
Energy: 1.3136649749508555
Energy: 2.293930620514533
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 2.293930620464902
Energy: 1.3136649749508555
Energy: 2.293930620664607
Energy: 1.3136649749520104
Energy: 2.2939306205179975
Energy: 1.3136649749508555
Energy: 2.293930620706154
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 2.2939306208862265
Energy: 1.3136649749508555
Energy: 2.293930620575712
Energy: 1.3136649749520104
Energy: 2.293930621090524
Energy: 1.3136649749520104
Energy: 2.293930620474141
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.43877748027742386
Energy: 2.293930620474141
Energy: 1.3136649749520104
Energy: 2.2939306205364747
Energy: 1.3136649749520104
Energy: 2.293930621145929
Energy: 1.3136649749508555
Energy: 2.2939306205052947
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 2.293930620485689
Energy: 1.3136649749508555
Energy: 2.2939306208377506
Energy: 1.3136649749508555
Energy: 2.293930620566474
Energy: 1.3136649749508555
Energy: 2.29393062064151
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 0.3316650430604384
Energy: 0.438777480276269
Energy: 2.2939306204752956
Energy: 1.3136649749520104
Energy: 2.293930620523772
Energy: 1.3136649749508555
Energy: 2.2939306204983656
Energy: 1.3136649749508555
Energy: 2.2939306206980703

minimum gb energy = 0.3316650430604384 eV
minimum distance =  2.22383567441066 Angstroms
sigma value = 23