Model name: model_name=EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_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=2.855279721319676
cohesive_energy=4.12272209665705
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: 0.015642407909146533
Energy: 0.5273551942574841
Energy: 0.015642407909556982
Energy: 0.5273551942574841
Energy: 0.015642407909146533
Energy: 0.5273551942582823
Energy: 0.015642407909556982
Energy: 0.0165609337221596
Energy: 0.579075183279839
Energy: 0.0165609337221596
Energy: 0.5790751832794513
Energy: 0.0165609337221596
Energy: 0.579075183279839
Energy: 0.0165609337221596
Energy: 1.1978509615259625
Energy: 0.5681564665259498
Energy: 1.5821761522747102
Energy: 0.5681564665275459
Energy: 0.015872869168953405
Energy: 0.5681564665271583
Energy: 0.015872868037705518
Energy: 0.01656093372254725
Energy: 0.579075183280637
Energy: 0.01656093372254725
Energy: 0.579075183280637
Energy: 0.01656093372254725
Energy: 0.5790751832802493
Energy: 0.01656093372254725
Energy: 0.015642407909556982
Energy: 0.5273551942574841
Energy: 0.015642407909556982
Energy: 0.5273551942578946
Energy: 0.015642407909556982
Energy: 0.5273551942570964
Energy: 0.015642407909556982
Energy: 0.01656093372254725
Energy: 0.5790751832810476
Energy: 0.01656093372254725
Energy: 0.5790751832802493
Energy: 0.01656093372254725
Energy: 0.579075183280637
Energy: 0.01656093372254725

minimum gb energy = 0.015642407909146533 eV
minimum distance =  2.46782644312147 Angstroms
sigma value = 5


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

Energy: 1.373655204631371
Energy: 1.6436861107863294
Energy: 1.3736552046338224
Energy: 1.643686110779465
Energy: 1.3736552046333321
Energy: 1.6436861107814262
Energy: 1.3736552046289194
Energy: 1.3181664495879417
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Energy: 1.3181664518261267
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Energy: 1.3759431893926863
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Energy: 1.2483394002389172
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Energy: 1.3420255539697548
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Energy: 1.4179281897417955
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Energy: 1.3505894806197996
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Energy: 1.328799265328843
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Energy: 1.278587241375463
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Energy: 1.3607485974857816
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Energy: 1.3607485974852913
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Energy: 1.461163664155711
Energy: 1.297063095510174
Energy: 1.4611636641576724
Energy: 1.2970630955082127
Energy: 1.461163664155711
Energy: 1.2970630955091933
Energy: 1.322200717463516
Energy: 1.3935378539272627
Energy: 1.3222007174630255
Energy: 1.3935378539277532
Energy: 1.322200717463516
Energy: 1.3935378539262822
Energy: 1.3222007174586574
Energy: 1.27953846433647
Energy: 1.3203193580349823
Energy: 1.279538464331567
Energy: 1.3203193580379242
Energy: 1.2795384643359797
Energy: 1.3203193580349823
Energy: 1.2795384643320573
Energy: 1.24426541326144
Energy: 1.322857374856874
Energy: 1.2442654132604594
Energy: 1.3228573748622672
Energy: 1.2442654132604594
Energy: 1.322857374856874
Energy: 1.2442654132609496
Energy: 1.2537008408652937
Energy: 1.3186279108995953
Energy: 1.2537008408613712
Energy: 1.3186279109015566
Energy: 1.253700840865784
Energy: 1.3186279109000858
Energy: 1.253700840862842
Energy: 1.2881991276933429
Energy: 1.333211479660322
Energy: 1.2881991276938332
Energy: 1.333211479663264
Energy: 1.2881991276918718
Energy: 1.3332114796608123
Energy: 1.2881991276404348

minimum gb energy = 1.2302648576825872 eV
minimum distance =  2.23134037217612 Angstroms
sigma value = 401


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

Energy: 1.486246793494076
Energy: 1.4247693478035506
Energy: 1.3835170619950357
Energy: 1.4247693478080028
Energy: 1.4862467934974153
Energy: 1.4247693478046635
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Energy: 1.4102993702641082
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Energy: 1.4102993702563165
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Energy: 1.3965259262278615
Energy: 1.4100534165922096
Energy: 1.3960986344239474
Energy: 1.409939748503749
Energy: 1.3965259262156176
Energy: 1.410053416595549
Energy: 1.396098634423391
Energy: 1.373511468680632
Energy: 1.4072427436878536
Energy: 1.385354326921674
Energy: 1.4077300926608325
Energy: 1.3735114686756231
Energy: 1.407242743677279
Energy: 1.3853543269266828
Energy: 1.320646041987314
Energy: 1.4109270670866336
Energy: 1.3206453292362645
Energy: 1.4109270670838507
Energy: 1.3206460419856445
Energy: 1.4109270670849636
Energy: 1.3206453292368212
Energy: 1.3303048674810483
Energy: 1.4200379694559975
Energy: 1.327433514875152
Energy: 1.4200379694587804
Energy: 1.3303048674793783
Energy: 1.4200379694593368
Energy: 1.3274335148729257
Energy: 1.307915191225669
Energy: 1.3393476546977439
Energy: 1.3079151912228861
Energy: 1.3393476546994134
Energy: 1.3079151912178775
Energy: 1.3393476546966308
Energy: 1.307915191219547
Energy: 1.2841431925142812
Energy: 1.3378311245317485
Energy: 1.2841431925137248
Energy: 1.337831124527296
Energy: 1.284143192515951
Energy: 1.337831124527296
Energy: 1.2841431925131683
Energy: 1.3835170619950357
Energy: 1.4247693478057766
Energy: 1.383517061996149
Energy: 1.4247693478124552
Energy: 1.3835170619950357
Energy: 1.4247693478085592
Energy: 1.3835170619955923
Energy: 1.2838894530062943
Energy: 1.3311977193448674
Energy: 1.283889453012416
Energy: 1.33126030657091
Energy: 1.2838894530107465
Energy: 1.3311977193621205
Energy: 1.2838894530051812

minimum gb energy = 1.2838894530051812 eV
minimum distance =  2.27182010272448 Angstroms
sigma value = 311


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

Energy: 1.3816744715634475
Energy: 1.370957407603302
Energy: 1.3291021180376257
Energy: 1.4585263793585002
Energy: 1.3816744715621623
Energy: 1.370957407603302
Energy: 1.3291021180344127
Energy: 1.2906827328015649
Energy: 1.2854408963242738
Energy: 1.2981339992889036
Energy: 1.3300783726533658
Energy: 1.2906827327989943
Energy: 1.2854408963242738
Energy: 1.2981339992208125
Energy: 1.2678113946996914
Energy: 1.3164405809974695
Energy: 1.2682937692678058
Energy: 1.4286094607865916
Energy: 1.267811394700334
Energy: 1.3164405810006825
Energy: 1.2682937692684484
Energy: 1.4481171446430219
Energy: 1.4105687475543056
Energy: 1.4598191282165682
Energy: 1.4105687475562334
Energy: 1.4481171446417365
Energy: 1.4105687475562334
Energy: 1.4598191282146407
Energy: 1.4632284210750577
Energy: 1.432928830321157
Energy: 1.4632423998623694
Energy: 1.432928830369326
Energy: 1.4632284210744149
Energy: 1.432928830298022
Energy: 1.4632423999054265
Energy: 1.3308933554723252
Energy: 1.4481347063247942
Energy: 1.3308933554716826
Energy: 1.4481347063260794
Energy: 1.3308933554716826
Energy: 1.4481347063280072
Energy: 1.3308933554723252
Energy: 1.335836217049049
Energy: 1.4658948488318864
Energy: 1.3358362170426223
Energy: 1.465894848832529
Energy: 1.3358362170374813
Energy: 1.4658948488331713
Energy: 1.3358362170368385
Energy: 1.4757484123604805
Energy: 1.4246474669048972
Energy: 1.4297576428573586
Energy: 1.4246474669042546
Energy: 1.4757484123617366
Energy: 1.4246474669055398
Energy: 1.4297576428580014
Energy: 1.467717541055579
Energy: 1.4327419334076343
Energy: 1.4138836046192838
Energy: 1.4327419334057065
Energy: 1.4677175410517231
Energy: 1.4327419334069917
Energy: 1.4138836046179986
Energy: 1.2614309971853026
Energy: 1.4232804074610839
Energy: 1.263208585995455
Energy: 1.4272570558678623
Energy: 1.26143099718466
Energy: 1.423280407460441
Energy: 1.2632085859941695
Energy: 1.3089253750275078
Energy: 1.4295624416814805
Energy: 1.2706968257456308
Energy: 1.4300007810780084
Energy: 1.3089253750294358
Energy: 1.429562441680195
Energy: 1.2706968257424176
Energy: 1.460601503507739
Energy: 1.483080470116275
Energy: 1.4606015035045259
Energy: 1.4835747309739018
Energy: 1.4606015035045259
Energy: 1.483080470116275
Energy: 1.4606015035051683
Energy: 1.4126954893665578
Energy: 1.4127802345107154
Energy: 1.4126954893716985
Energy: 1.4127802345113583
Energy: 1.4126954893691281
Energy: 1.4127802345113583
Energy: 1.4126954893691281
Energy: 1.3182820723864854
Energy: 1.3665414947561731
Energy: 1.3182820723845574
Energy: 1.3665414947574583
Energy: 1.3182820723845574
Energy: 1.3665414947574583
Energy: 1.3182820723864854
Energy: 1.3440363823351127
Energy: 1.3824538662632309
Energy: 1.3440363823338273
Energy: 1.3824538662632309
Energy: 1.344036382332542
Energy: 1.3824538662651586
Energy: 1.3440363823331847
Energy: 1.325549724233916
Energy: 1.4159898744849673
Energy: 1.3255497242358438
Energy: 1.4159898744843247
Energy: 1.3255497242358438
Energy: 1.4159898744843247
Energy: 1.325549724233916
Energy: 1.3591623055586526
Energy: 1.29287656578178
Energy: 1.3598922714485848
Energy: 1.2928765657811374
Energy: 1.3591623055599378
Energy: 1.2928765657804946
Energy: 1.3598922714460142
Energy: 1.2985955733146792
Energy: 1.3445235614752606
Energy: 1.2985401193946253
Energy: 1.3415951348678679
Energy: 1.2985955733198202
Energy: 1.344523561474618
Energy: 1.2985401193926973
Energy: 1.387861379985097
Energy: 1.4682671580768796
Energy: 1.4273278542216647
Energy: 1.4682671580768796
Energy: 1.4179922282334394
Energy: 1.4682671580755942
Energy: 1.4179922282321547
Energy: 1.441545857409845
Energy: 1.4454600355844192
Energy: 1.4116703894384732
Energy: 1.453662994865004
Energy: 1.441545857411773
Energy: 1.4454600355869898
Energy: 1.411670389528414
Energy: 1.330907069598539
Energy: 1.3320482063912191
Energy: 1.3309070695991818
Energy: 1.3320482063912191
Energy: 1.3309070695972538
Energy: 1.3320482063918617
Energy: 1.3309070695978966
Energy: 1.3600052665449012
Energy: 1.3440800706681995
Energy: 1.3600052665455438
Energy: 1.3442455931120094
Energy: 1.3600052665449012
Energy: 1.3440800706649865
Energy: 1.3600052665442584
Energy: 1.397053790407283
Energy: 1.3764546620126887
Energy: 1.4351515784492908
Energy: 1.4634590658176714
Energy: 1.3970537903828917
Energy: 1.376454662015902
Energy: 1.4351515784512188
Energy: 1.4425616798466498
Energy: 1.389574273951019
Energy: 1.39183764812514
Energy: 1.484623586785092
Energy: 1.4425616798453644
Energy: 1.3895742739516617
Energy: 1.391837648127068
Energy: 1.2562227736908114
Energy: 1.3068151560341414
Energy: 1.2562614382952044
Energy: 1.4373418329721652
Energy: 1.2562227736875982
Energy: 1.3068151560328563
Energy: 1.256261438291378
Energy: 1.4196499297968947
Energy: 1.3044025185560422
Energy: 1.419318905244971
Energy: 1.2962051093825515
Energy: 1.4196499297943241
Energy: 1.3044025185553998
Energy: 1.4193189052468989
Energy: 1.4322758463178362
Energy: 1.4336153300265686
Energy: 1.449462119423092
Energy: 1.433615330027854
Energy: 1.4322758463159084
Energy: 1.433615330023998
Energy: 1.4974908425602822
Energy: 1.4185063368728839
Energy: 1.4808216034656407
Energy: 1.4185063368728839
Energy: 1.4808216034611426
Energy: 1.4185063368715987
Energy: 1.4808216034611426
Energy: 1.418506336869028
Energy: 1.329009845535034
Energy: 1.3371445116054745
Energy: 1.3290098455337487
Energy: 1.3371445116054745
Energy: 1.3290098455369619
Energy: 1.3371445116067595
Energy: 1.3290098455363193
Energy: 1.4991049742233273
Energy: 1.3121694313075407
Energy: 1.4004099028566745
Energy: 1.3135603250900312
Energy: 1.4991049742233273
Energy: 1.3121694313094687
Energy: 1.4004099028598875
Energy: 1.4600716095253625
Energy: 1.4175510183554942
Energy: 1.4011945402579282
Energy: 1.4175510183548514
Energy: 1.4600716095272614
Energy: 1.4175510183561368
Energy: 1.4434423570385542
Energy: 1.285166362327836
Energy: 1.413506637130596
Energy: 1.2878286959561231
Energy: 1.409334276965205
Energy: 1.285166362327836
Energy: 1.4135066371318814
Energy: 1.2878286959574086
Energy: 1.2784375773768788
Energy: 1.3028966551069678
Energy: 1.2778279797229017
Energy: 1.3051401831009104
Energy: 1.2784375773768788
Energy: 1.3028966551076107
Energy: 1.2778279797235446
Energy: 1.454458599985687
Energy: 1.5189067664433158
Energy: 1.4544585999863298
Energy: 1.3953652449054514
Energy: 1.4544585999863298
Energy: 1.5189067664446012
Energy: 1.4544585999869721
Energy: 1.4647342290546284
Energy: 1.4284856169539748
Energy: 1.463152459917035
Energy: 1.4406067930743354
Energy: 1.5236337566648506
Energy: 1.4284856169539748
Energy: 1.5284734126896353
Energy: 1.3086854583830787
Energy: 1.3679968812375152
Energy: 1.3086854583862628
Energy: 1.3679968812368724
Energy: 1.3086854583869054
Energy: 1.36799688123623
Energy: 1.3086854583869054

minimum gb energy = 1.2562227736875982 eV
minimum distance =  2.2219277173307 Angstroms
sigma value = 39


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

Energy: 1.293781365129186
Energy: 1.3960672728439472
Energy: 1.2937813651314616
Energy: 1.3960672728424302
Energy: 1.293781365129186
Energy: 1.3960672728409131
Energy: 1.2937813651314616
Energy: 1.3527948061784298
Energy: 1.3312205227377267
Energy: 1.352794806176913
Energy: 1.3342665431640746
Energy: 1.3527948061784298
Energy: 1.33122052273621
Energy: 1.3527948061799122
Energy: 1.3768115717103713
Energy: 1.3021654861249459
Energy: 1.3776591057244816
Energy: 1.3019074046007706
Energy: 1.3768115717118883
Energy: 1.3021654861241878
Energy: 1.3776591057252399
Energy: 1.3842834360442184
Energy: 1.3100162048319668
Energy: 1.384283436044977
Energy: 1.3130768081611202
Energy: 1.384283436044977
Energy: 1.3100162048289332
Energy: 1.3842834360411849
Energy: 1.353415748263794
Energy: 1.3030841783845435
Energy: 1.35341527828267
Energy: 1.30326864684199
Energy: 1.3534157482645526
Energy: 1.303084178379993
Energy: 1.3534152782857036
Energy: 1.3822901688303821
Energy: 1.3175744106341627
Energy: 1.3822901688303821
Energy: 1.3175744106356795
Energy: 1.382290168831899
Energy: 1.317574410637955
Energy: 1.3822901688311406
Energy: 1.4121852090106497
Energy: 1.3019636759509845
Energy: 1.3944275443743162
Energy: 1.3019636759532598
Energy: 1.3654374481773264
Energy: 1.3019636759532598
Energy: 1.39442754437735
Energy: 1.350029525105885
Energy: 1.302474871779509
Energy: 1.3500296095504398
Energy: 1.3024748717817842
Energy: 1.350029566049602
Energy: 1.3024748717817842
Energy: 1.350029565924528
Energy: 1.3660114484058554
Energy: 1.3093452737837814
Energy: 1.3660114484050971
Energy: 1.3093452737822644
Energy: 1.3660114484073724
Energy: 1.3093452737792308
Energy: 1.366011448409648
Energy: 1.3886299244047708
Energy: 1.4215340774191632
Energy: 1.2864863381314375
Energy: 1.4215340774184049
Energy: 1.388629924403254
Energy: 1.4215340774176464
Energy: 1.286486338129162
Energy: 1.381219155926608
Energy: 1.2689109258371838
Energy: 1.3876302097437225
Energy: 1.2907041595256041
Energy: 1.3878054325871336
Energy: 1.2689109258402176
Energy: 1.3515792324621432
Energy: 1.3747366318179217
Energy: 1.303094333328815
Energy: 1.3533773991568563
Energy: 1.3029114796721557
Energy: 1.3747366317959613
Energy: 1.3030943333280909
Energy: 1.353377399153064
Energy: 1.4252463849288615
Energy: 1.306780191112593
Energy: 1.4279481128396525
Energy: 1.2976930035361343
Energy: 1.425246384926586
Energy: 1.3067801911148682
Energy: 1.4279481128419278
Energy: 1.2869067154687956
Energy: 1.288613520119615
Energy: 1.2869067154695542
Energy: 1.2889948966213534
Energy: 1.2869067154710712
Energy: 1.2886135201173397
Energy: 1.2869067154703127
Energy: 1.4367776001266237
Energy: 1.3773447825607703
Energy: 1.3850040855084162
Energy: 1.3773447825645624
Energy: 1.3850040855046242
Energy: 1.3773447825660794
Energy: 1.3850040855084162
Energy: 1.287234637679319
Energy: 1.2889686128905702
Energy: 1.287234637679319
Energy: 1.2889686128920872
Energy: 1.2872346376785604
Energy: 1.288968612893604
Energy: 1.2872346376770436
Energy: 1.4066501371773474
Energy: 1.2972048316468394
Energy: 1.4066501371796227
Energy: 1.2972048316430471
Energy: 1.4066501371788644
Energy: 1.2972048316445641
Energy: 1.4066501371773474
Energy: 1.3577740386343078
Energy: 1.3082748569966756
Energy: 1.3577741613025318
Energy: 1.3082748569944003
Energy: 1.357774220898675
Energy: 1.3082748569989509
Energy: 1.3577741209016179
Energy: 1.3068703450973682
Energy: 1.3845516926693915
Energy: 1.3068703452080317
Energy: 1.38740858267405
Energy: 1.3068703451337387
Energy: 1.3845516927687127
Energy: 1.306870345215616
Energy: 1.2866171058877496
Energy: 1.4149378229688705
Energy: 1.2866171058869913
Energy: 1.4149378229703875
Energy: 1.2866171058907836
Energy: 1.4149378229711458
Energy: 1.2866171058877496
Energy: 1.3887070621476814
Energy: 1.3249496534602214
Energy: 1.3891573748975492
Energy: 1.324731495528699
Energy: 1.3887070621469226
Energy: 1.3249496534556708
Energy: 1.389157374895274
Energy: 1.3857411529116475
Energy: 1.3026691853626853
Energy: 1.3863021838337184
Energy: 1.3028320687936796
Energy: 1.3857411529131642
Energy: 1.3026691853634436
Energy: 1.3863021839314884
Energy: 1.2974912562855303
Energy: 1.2955688625723092
Energy: 1.2974912562878056
Energy: 1.2966830288766753
Energy: 1.2974912562855303
Energy: 1.2955688625745845
Energy: 1.2974912562847718
Energy: 1.3608164435941066
Energy: 1.3186879533934026
Energy: 1.3613023736873713
Energy: 1.331357357483815
Energy: 1.3608164435910728
Energy: 1.318687953391886
Energy: 1.3613023737806251
Energy: 1.3530134569003835
Energy: 1.3041329747136623
Energy: 1.3530134569064511
Energy: 1.304132974712904
Energy: 1.3530134569064511
Energy: 1.304132974712904
Energy: 1.3530134569056926
Energy: 1.393097443970421
Energy: 1.307905278649188
Energy: 1.3932480707512955
Energy: 1.3079052786484295
Energy: 1.393097443967387
Energy: 1.3079052786469128
Energy: 1.393248070750537
Energy: 1.4243193646634762
Energy: 1.3020309915420194
Energy: 1.4243193646634762
Energy: 1.3020309915420194
Energy: 1.4243193646672683
Energy: 1.3020309915397439
Energy: 1.424319364664993
Energy: 1.3867025441002945
Energy: 1.3172023520901464
Energy: 1.3516810898176752
Energy: 1.317202352110624
Energy: 1.3867025441025698
Energy: 1.3172023521144163
Energy: 1.3516810898176752
Energy: 1.3964438769762901
Energy: 1.3960672728431884
Energy: 1.293781365130703
Energy: 1.3960672728393964
Energy: 1.3964438769762901
Energy: 1.3960672728401549
Energy: 1.293781365130703
Energy: 1.3867368766194812
Energy: 1.3316853009462886
Energy: 1.3527948061784298
Energy: 1.319738625306801
Energy: 1.3867368766202397
Energy: 1.3316853009478054
Energy: 1.3527948061806707

minimum gb energy = 1.2689109258371838 eV
minimum distance =  2.24712453417966 Angstroms
sigma value = 21


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

Energy: 1.3286746916302887
Energy: 1.3906814629190702
Energy: 1.3286746916302887
Energy: 1.390681462919991
Energy: 1.3286746916302887
Energy: 1.3906814629218325
Energy: 1.3286746916367336
Energy: 1.2105822982593082
Energy: 1.175894398101727
Energy: 1.210582298253784
Energy: 1.17589439810541
Energy: 1.2105822982547048
Energy: 1.1758943980998857
Energy: 1.2105822982593082
Energy: 1.315584471442677
Energy: 1.257316321251357
Energy: 1.3155844714509635
Energy: 1.2573163212495153
Energy: 1.3155844714454392
Energy: 1.2573163212559606
Energy: 1.3155844714445186
Energy: 1.196131072477058
Energy: 1.1761331088460143
Energy: 1.1961310724761371
Energy: 1.1761331088460143
Energy: 1.196131072477058
Energy: 1.176133108846935
Energy: 1.1961310724761371
Energy: 1.157639139163298
Energy: 1.2080296595764968
Energy: 1.1576391391669807
Energy: 1.208029659455946
Energy: 1.1576391391660603
Energy: 1.2080296594669946
Energy: 1.1576391391660603
Energy: 1.1727239261223956
Energy: 1.18902600553883
Energy: 1.1727239267169043
Energy: 1.1890260055397506
Energy: 1.1727239261720934
Energy: 1.18902600553883
Energy: 1.172723926756495
Energy: 1.1718203081231318
Energy: 1.2397161704396003
Energy: 1.1718203081240524
Energy: 1.2397161704387003
Energy: 1.171820308122211
Energy: 1.2397161704387003
Energy: 1.1718203081258938
Energy: 1.1659501502576564
Energy: 1.172029353867619
Energy: 1.1659501502576564
Energy: 1.1720293538666986
Energy: 1.1659501502576564
Energy: 1.1720293538666986
Energy: 1.1659501502585772
Energy: 1.2166820334705188
Energy: 1.166261388962661
Energy: 1.2166820334714397
Energy: 1.166261388962661
Energy: 1.2166820334705188
Energy: 1.166261388962661
Energy: 1.2166820334714397
Energy: 1.1700617766681536
Energy: 1.2283547985120093
Energy: 1.1700617766626293
Energy: 1.2283547985184544
Energy: 1.1700617766653914
Energy: 1.2283547984935952
Energy: 1.1700617766690744
Energy: 1.1738171250248308
Energy: 1.2006136605791335
Energy: 1.1738171250257514
Energy: 1.2006136605782132
Energy: 1.1738171250220688
Energy: 1.2006136605782132
Energy: 1.173817125034038
Energy: 1.1631406721426263
Energy: 1.2522838591233798
Energy: 1.163140672143547
Energy: 1.252283859122459
Energy: 1.1631406721444677
Energy: 1.2522838591233798
Energy: 1.1631406721463091
Energy: 1.2019348938023608
Energy: 1.1657412790708495
Energy: 1.2019348938005194
Energy: 1.1657412790708495
Energy: 1.2019348938023608
Energy: 1.1657412790699289
Energy: 1.2019348938014403
Energy: 1.2574932144598
Energy: 1.265519216276478
Energy: 1.2574932144607207
Energy: 1.265519216837862
Energy: 1.2574932144598
Energy: 1.2655192161687963
Energy: 1.2574932144570377
Energy: 1.2471156608260867
Energy: 1.1990329121428154
Energy: 1.247115660825166
Energy: 1.1990329121437362
Energy: 1.2471156608260867
Energy: 1.1990329121428154
Energy: 1.2471156608260867
Energy: 1.333185455398743
Energy: 1.310999751694422
Energy: 1.3331854553821703
Energy: 1.3109997517882932
Energy: 1.3331854554171365
Energy: 1.3109997517588512
Energy: 1.3331854554171365
Energy: 1.232939850509853
Energy: 1.1673028095403106
Energy: 1.232939850509853
Energy: 1.1673028095393898
Energy: 1.2329398505107738
Energy: 1.1673028095403106
Energy: 1.232939850509853
Energy: 1.250040185207597
Energy: 1.2587357412806421
Energy: 1.2500401858895527
Energy: 1.258737498878241
Energy: 1.2500401865733288
Energy: 1.2587371068699222
Energy: 1.2500401870638596
Energy: 1.2489099793357057
Energy: 1.2041776810314049
Energy: 1.2489099794019551
Energy: 1.2041776810323255
Energy: 1.2489099793228156
Energy: 1.2041776810314049
Energy: 1.248909979324657
Energy: 1.1661704827596082
Energy: 1.2035186223828058
Energy: 1.1661704827586874
Energy: 1.2035186223837266
Energy: 1.1661704827623705
Energy: 1.2035186223828058
Energy: 1.1661704827623705
Energy: 1.2161374624280221
Energy: 1.2410568078551465
Energy: 1.2161374624271013
Energy: 1.2410568078551465
Energy: 1.2161374624280221
Energy: 1.2410568078551465
Energy: 1.2161374624271013
Energy: 1.1708232031612595
Energy: 1.2396479092360133
Energy: 1.170823203160339
Energy: 1.2396479092406167
Energy: 1.170823203160339
Energy: 1.2396479092350925
Energy: 1.1708232031594183
Energy: 1.2007720613566186
Energy: 1.1719141812841902
Energy: 1.2785822853183915
Energy: 1.1719141812225233
Energy: 1.2383285491772316
Energy: 1.171914181407503
Energy: 1.2383285491781522
Energy: 1.2089640706239455
Energy: 1.2035419466131967
Energy: 1.2089640706239455
Energy: 1.203541946615038
Energy: 1.208964070623025
Energy: 1.2035419466131967
Energy: 1.208964070623025
Energy: 1.2433124384871077
Energy: 1.2277436872793996
Energy: 1.2433124384880285
Energy: 1.2277436872793996
Energy: 1.2433124384871077
Energy: 1.2277436872793996
Energy: 1.2433124384880285

minimum gb energy = 1.157639139163298 eV
minimum distance =  2.26151441900794 Angstroms
sigma value = 113


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

Energy: 1.1058860176981518
Energy: 1.1437631994964519
Energy: 1.1058860176930132
Energy: 1.1437631990069865
Energy: 1.1058860176991794
Energy: 1.1437631988374628
Energy: 1.105886017697124
Energy: 1.1048895773627276
Energy: 1.0376995541994702
Energy: 1.1048895773581033
Energy: 1.0376995542025533
Energy: 1.1048895773601586
Energy: 1.0376995541994702
Energy: 1.1048895773591307
Energy: 1.1170198718687308
Energy: 1.0612275950361707
Energy: 1.1170198718712996
Energy: 1.0612275950325738
Energy: 1.117019871874383
Energy: 1.061227595035657
Energy: 1.1170198718620505
Energy: 1.065438600971431
Energy: 1.0704042388150679
Energy: 1.0654386009729258
Energy: 1.070404238817637
Energy: 1.0654386009734398
Energy: 1.0704042388166093
Energy: 1.065438600972412
Energy: 1.070580334786528
Energy: 1.0762639625941897
Energy: 1.0705803348260943
Energy: 1.0762639627508672
Energy: 1.0705803348286638
Energy: 1.0762639626296453
Energy: 1.0705803348343161
Energy: 1.0522317236494962
Energy: 1.029023851896798
Energy: 1.0522317236351084
Energy: 1.029023851897312
Energy: 1.0522317236309977
Energy: 1.0290238518952566
Energy: 1.0522317236376777
Energy: 1.0506346798624033
Energy: 1.0448848924222307
Energy: 1.0506346798618893
Energy: 1.0448848924232583
Energy: 1.0506346798649724
Energy: 1.044884892421717
Energy: 1.0506346798613755
Energy: 1.0549402359503868
Energy: 1.0341879665287534
Energy: 1.0549402359544975
Energy: 1.034187966529781
Energy: 1.0549402359498727
Energy: 1.0341879665282396
Energy: 1.0549402359544975
Energy: 1.018201906753357
Energy: 1.0283686777102459
Energy: 1.0182019067918957
Energy: 1.0283686777292116
Energy: 1.0182019067369137
Energy: 1.0283686777317809
Energy: 1.0182019067954926
Energy: 1.0455615694699603
Energy: 0.9860008690429461
Energy: 1.0455615694689324
Energy: 0.9860008691292261
Energy: 1.0455615694735572
Energy: 0.9860008691317954
Energy: 1.0455615694699603
Energy: 1.0927431926681554
Energy: 0.9818123797349882
Energy: 1.0927431926763769
Energy: 0.9818123797298498
Energy: 1.092743192669183
Energy: 0.981812379736016
Energy: 1.092743192676891
Energy: 1.0605617381301322
Energy: 1.0566116396056138
Energy: 1.0605617381311598
Energy: 1.0566116396045862
Energy: 1.0605617381311598
Energy: 1.0566116396076692
Energy: 1.0605617381434922
Energy: 0.9686881131568617
Energy: 1.0303898565096399
Energy: 0.9686881131948867
Energy: 1.0303898564901135
Energy: 0.9686881131676525
Energy: 1.030389856481378
Energy: 0.9686881131856372
Energy: 1.022797863099662
Energy: 0.9902951977788156
Energy: 1.022797863099148
Energy: 0.990295197776293
Energy: 1.022797863099148
Energy: 0.9902951977778346
Energy: 1.0227978630970926
Energy: 1.027825107572365
Energy: 0.9816313814249524
Energy: 1.0278251075775036
Energy: 0.9816313814264938
Energy: 1.027825107568768
Energy: 0.9816313814157497
Energy: 1.0278251075795588
Energy: 1.0323870224921743
Energy: 1.0441196097769017
Energy: 1.032387022499882
Energy: 1.0441196098575758
Energy: 1.0323870224942298
Energy: 1.0441196096664704
Energy: 1.0323870224978267
Energy: 0.9755141866049765
Energy: 0.978521146972862
Energy: 0.9755141866280528
Energy: 0.978521146972862
Energy: 0.9755141867056443
Energy: 0.9785211469723479
Energy: 0.9755141866742993
Energy: 1.0438465959388723
Energy: 1.0042950661709127
Energy: 1.043846595936303
Energy: 1.0042950661657741
Energy: 1.0438465959887158
Energy: 1.0042950661703987
Energy: 1.0438465959969372
Energy: 1.0388125060107503
Energy: 0.9797913024024109
Energy: 1.0388125060271935
Energy: 0.9797913024090442
Energy: 1.0388125060046307
Energy: 0.9797913023952171
Energy: 1.0388125059532458
Energy: 1.0358846498153078
Energy: 1.0454061589772805
Energy: 1.035884649514332
Energy: 1.0454061093834743
Energy: 1.0358846493253286
Energy: 1.0454062231892294
Energy: 1.0358846495867848
Energy: 1.0575099433978363
Energy: 0.9774580593033687
Energy: 1.0575099434034887
Energy: 0.9774580593038826
Energy: 1.0575099433993778
Energy: 0.9774580593192513
Energy: 1.057509943398864
Energy: 1.0545197760975882
Energy: 1.0362249321338304
Energy: 1.0545197760853022
Energy: 1.0362249321430799
Energy: 1.054519776128933
Energy: 1.0362249321785355
Energy: 1.054519776089927
Energy: 1.036068262786779
Energy: 1.0142995845876492
Energy: 1.0360682628063052
Energy: 1.0142995845861074
Energy: 1.036068262848908
Energy: 1.0142995845861074
Energy: 1.0360682627939728
Energy: 1.0390184545351135
Energy: 1.1024675060889975
Energy: 1.0390184545433352
Energy: 1.1024675060597082
Energy: 1.0390184544236551
Energy: 1.1024675059729143
Energy: 1.0390184545109629
Energy: 1.0280242010722558
Energy: 1.02027281484135
Energy: 1.028024195675617
Energy: 1.02027281484135
Energy: 1.028024098916974
Energy: 1.0202728148392943
Energy: 1.0280239597095615
Energy: 1.111961964748988
Energy: 1.0216913533207317
Energy: 1.1119619648008867
Energy: 1.0216913533186764
Energy: 1.1119619647587509
Energy: 1.0216913533222733
Energy: 1.1119619647680004
Energy: 1.1039207050167166
Energy: 1.021577305982521
Energy: 1.1039207055888651
Energy: 1.0215773060046167
Energy: 1.1039207043397428
Energy: 1.021577306110423
Energy: 1.1039207053787938
Energy: 1.0728564009283497
Energy: 1.2556825731017078
Energy: 1.0728564009237247
Energy: 1.2556825730945136
Energy: 1.072856400929891
Energy: 1.255682573110443
Energy: 1.0728564009355435
Energy: 1.1850594360123146
Energy: 1.0590778849861562
Energy: 1.1850594360189945
Energy: 1.0590778850092795
Energy: 1.18505943600769
Energy: 1.0590778849882119
Energy: 1.1850594360184807
Energy: 1.0846457237716163
Energy: 1.021166262655145
Energy: 1.0846457238234684
Energy: 1.021166262652062
Energy: 1.084645723824496
Energy: 1.0211662626500062
Energy: 1.0846457238286067
Energy: 1.0958079986132998
Energy: 1.1880834884084377
Energy: 1.0958079986179246
Energy: 1.1880834884032994
Energy: 1.0958079985932596
Energy: 1.18808348840741
Energy: 1.0958079986107305
Energy: 1.065467272959251
Energy: 1.095190327687712
Energy: 1.0654672728549393
Energy: 1.095190327649173
Energy: 1.0654672727394163
Energy: 1.0951903276949058
Energy: 1.0654672727404442
Energy: 1.1687796616080346
Energy: 1.0264260870175006
Energy: 1.1687796616100898
Energy: 1.026426087015959
Energy: 1.1687796616111177
Energy: 1.0264260870185282
Energy: 1.1687796616111177
Energy: 1.0246603540249741
Energy: 1.007205788280855
Energy: 1.0246603540295989
Energy: 1.007205788321963
Energy: 1.0246603540270296
Energy: 1.007205788290618
Energy: 1.0246603540280572
Energy: 1.0626101875167515
Energy: 1.1634655255100812
Energy: 1.0626101875177794
Energy: 1.1634655254859303
Energy: 1.062610187519321
Energy: 1.163465525483875
Energy: 1.0626101875172655
Energy: 0.9952596338042085
Energy: 1.037974867121548
Energy: 0.9952596335895126
Energy: 1.0379748670064926
Energy: 0.9952596337343249
Energy: 1.037974867046059
Energy: 0.9952596336177276
Energy: 1.162268163319346
Energy: 0.9839299709544264
Energy: 1.1622681633249983
Energy: 0.9839299709575093
Energy: 1.1622681633265397
Energy: 0.9839299709544264
Energy: 1.1622681632572165
Energy: 1.029808109881756
Energy: 0.9775029103997607
Energy: 1.0298081098827836
Energy: 0.9775029104048992
Energy: 1.029808109881242
Energy: 0.9775029104013022
Energy: 1.0298081098822698
Energy: 1.0564255876397817
Energy: 1.033004985534162
Energy: 1.0564255876438924
Energy: 1.033004985533181
Energy: 1.0564255876346431
Energy: 1.033004985533181
Energy: 1.0564255876413233
Energy: 0.9701801536541493
Energy: 1.0423206351198955
Energy: 0.9701801536505524
Energy: 1.042320635149652
Energy: 0.9701801536484971
Energy: 1.0423206351614702
Energy: 0.9701801536551772
Energy: 1.0389987140930677
Energy: 0.987791431000228
Energy: 1.0389987140940957
Energy: 0.9877914310063941
Energy: 1.0389987140976926
Energy: 0.9877914309950895
Energy: 1.038998714099234
Energy: 1.0131202408190831
Energy: 0.9742135146142422
Energy: 1.0131202408211386
Energy: 0.9742135146353101
Energy: 1.013120240819597
Energy: 0.9742135146168116
Energy: 1.0131202408206248
Energy: 1.013149467545931
Energy: 1.1391745556106037
Energy: 1.0131494675428478
Energy: 1.1391745556142008
Energy: 1.0131494675510695
Energy: 1.1391745555870134
Energy: 1.0131494675443893
Energy: 0.9688028206867106
Energy: 0.9750481550750084
Energy: 0.9688028206856829
Energy: 0.9750481550755223
Energy: 0.9688028206918491
Energy: 0.9750481550744947
Energy: 0.9688028206892799
Energy: 1.0345373627831496
Energy: 1.001306475989951
Energy: 1.034537362784691
Energy: 1.0013064759889232
Energy: 1.0345373627862329
Energy: 1.001306475989951
Energy: 1.0345373627898298

minimum gb energy = 0.9686881131568617 eV
minimum distance =  2.24543758785495 Angstroms
sigma value = 365


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

Energy: 0.47341220939970663
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 2.0446571342209063
Energy: 1.145218833156719
Energy: 2.044657134185018
Energy: 1.145218833159036
Energy: 2.044657134256821
Energy: 1.145218833156719
Energy: 2.044657134298502
Energy: 0.47341220940086515
Energy: 0.33971832499767085
Energy: 0.47341220939970663
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 0.33971832499767085
Energy: 0.47341220939970663
Energy: 2.2251851657220336
Energy: 1.1452188331578774
Energy: 2.2251844360345907
Energy: 1.145218833159036
Energy: 2.0446571342660893
Energy: 1.1452188331578774
Energy: 2.0446571343668296
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 0.33971832499767085
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 2.142687185451006
Energy: 1.145218833159036
Energy: 2.225188881220427
Energy: 1.145218833156719
Energy: 2.04465713431588
Energy: 1.145218833159036
Energy: 2.044657134321673
Energy: 0.47341220939970663
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939854806
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 2.044657134195445
Energy: 1.1452188331578774
Energy: 2.04465713424987
Energy: 1.145218833159036
Energy: 2.0446571343019775
Energy: 1.1452188331578774
Energy: 2.044657134298502
Energy: 0.47341220940086515
Energy: 0.33971832499767085
Energy: 0.47341220939970663
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 0.33971832499767085
Energy: 0.47341220939970663
Energy: 2.044657134392291
Energy: 1.145218833159036
Energy: 2.0446571344061937
Energy: 1.1452188331578774
Energy: 2.044657134256821
Energy: 1.145218833159036
Energy: 2.0446571343066124
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 0.33971832499767085
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 2.044657134245236
Energy: 1.145218833159036
Energy: 2.0446571343135633
Energy: 1.145218833156719
Energy: 2.044657134484948
Energy: 1.145218833159036
Energy: 2.0446571344837894
Energy: 0.47341220939970663
Energy: 0.33971832499767085
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 0.33971832499767085
Energy: 0.47341220940086515
Energy: 2.0446571341792255
Energy: 1.145218833156719
Energy: 2.0446571342660893
Energy: 1.145218833159036
Energy: 2.0446571343471343
Energy: 1.145218833156719
Energy: 2.0446571343494515
Energy: 0.47341220940086515
Energy: 0.33971832499767085
Energy: 0.47341220939970663
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 0.33971832499767085
Energy: 0.47341220939970663
Energy: 2.0446571343089293
Energy: 1.1452188331578774
Energy: 2.044657134335549
Energy: 1.145218833159036
Energy: 2.0446571343645124
Energy: 1.1452188331578774
Energy: 2.044657134621603
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 0.33971832499767085
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939970663
Energy: 2.044657134401559
Energy: 1.145218833159036
Energy: 2.0446571345382143
Energy: 1.1452188331578774
Energy: 2.044657134494216
Energy: 1.145218833159036
Energy: 2.0446571344501914
Energy: 0.47341220939970663
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 0.3397183249965123
Energy: 0.47341220939854806
Energy: 0.3397183249965123
Energy: 0.47341220940086515
Energy: 2.04465713443284
Energy: 1.1452188331578774
Energy: 2.0446571342429185
Energy: 1.145218833159036
Energy: 2.0446571344930575
Energy: 1.1452188331578774
Energy: 2.044657134408511

minimum gb energy = 0.3397183249965123 eV
minimum distance =  2.25451047519461 Angstroms
sigma value = 23