Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_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=2.865952417254448
cohesive_energy=4.290335420566668
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: 0.016156161168471687
Energy: 0.5128820375953976
Energy: 0.016156161168471687
Energy: 0.5128820375953976
Energy: 0.016156161168471687
Energy: 0.5128820375953976
Energy: 0.016156161168471687
Energy: 0.01710518740380756
Energy: 0.6333329232971631
Energy: 0.01710518740340016
Energy: 0.6333329232959408
Energy: 0.01710518740340016
Energy: 0.6333329232967557
Energy: 0.01710518740380756
Energy: 0.016458567129415663
Energy: 0.519644800914167
Energy: 0.016458567129777796
Energy: 0.5196448009145518
Energy: 0.016458567129777796
Energy: 0.5196448009133522
Energy: 0.016458567129415663
Energy: 0.01710518740421496
Energy: 0.6333329232967557
Energy: 0.01710518740462236
Energy: 0.6333329232959408
Energy: 0.01710518740421496
Energy: 0.6333329232967557
Energy: 0.01710518740462236
Energy: 0.016156161168471687
Energy: 0.5128820375949903
Energy: 0.016156161168471687
Energy: 0.5128820375953976
Energy: 0.016156161168471687
Energy: 0.5128820375958051
Energy: 0.016156161168471687
Energy: 0.01710518740421496
Energy: 0.6333329232967557
Energy: 0.01710518740462236
Energy: 0.6333329232963483
Energy: 0.01710518740421496
Energy: 0.6333329232967557
Energy: 0.01710518740462236

minimum gb energy = 0.016156161168471687 eV
minimum distance =  2.47756524116371 Angstroms
sigma value = 5


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

Energy: 1.3497982296140312
Energy: 1.6672222440914959
Energy: 1.349798229617924
Energy: 1.667222244093929
Energy: 1.3497982296140312
Energy: 1.6672222440914959
Energy: 1.3497982296184108
Energy: 1.3035473835453206
Energy: 1.3009588437306292
Energy: 1.3035473835482405
Energy: 1.300958843726736
Energy: 1.3035473835453206
Energy: 1.300958843731116
Energy: 1.3035473835487272
Energy: 1.2568607956869107
Energy: 1.2832322260033273
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Energy: 1.2832322260033273
Energy: 1.2568607956844775
Energy: 1.2449062910169766
Energy: 1.339448196356769
Energy: 1.24490629101941
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Energy: 1.2449062910169766
Energy: 1.339448196356769
Energy: 1.2449062910198965
Energy: 1.2417552554271918
Energy: 1.3267648635264375
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Energy: 1.3267648635274107
Energy: 1.2417552554276787
Energy: 1.3267648635264375
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Energy: 1.291300050002424
Energy: 1.3653702637054395
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Energy: 1.2913000500019374
Energy: 1.3653702637059262
Energy: 1.2913000500048575
Energy: 1.3412315670291175
Energy: 1.3558730065020714
Energy: 1.3412315670296042
Energy: 1.355873006504018
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Energy: 1.355873006502558
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Energy: 1.293568415998368
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Energy: 1.2411992646236916
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Energy: 1.3138014117079848
Energy: 1.241126993320239
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Energy: 1.3138014117079848
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Energy: 1.295430360739545
Energy: 1.348189031727154
Energy: 1.2954303607429516
Energy: 1.348189031727154
Energy: 1.295430360739545
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Energy: 1.2913195532970667
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Energy: 1.3339232558747987
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Energy: 1.3754870275664552
Energy: 1.3766777375734625
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Energy: 1.3766777375724892
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Energy: 1.3754870275649953
Energy: 1.2285608101375567
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Energy: 1.2285608101370702
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Energy: 1.3674206090994399
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Energy: 1.3674206090989534
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Energy: 1.2571597571694815
Energy: 1.2671443121639274
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Energy: 1.3195395720258378
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Energy: 1.2572033970494354
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Energy: 1.3305532690116606
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Energy: 1.2391661471009252
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Energy: 1.340944815869057
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Energy: 1.3375830576516783
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Energy: 1.3699145498643306
Energy: 1.3375830576511916
Energy: 1.3699145498623841
Energy: 1.337583057653625
Energy: 1.2896386701285942
Energy: 1.3590999555902747
Energy: 1.2896386701300544
Energy: 1.359099955588328
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Energy: 1.3590999555907612
Energy: 1.2896386701300544
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Energy: 1.2923013556587832
Energy: 1.3418638682425341
Energy: 1.2923013556548901
Energy: 1.341863868246914
Energy: 1.2923013556582967
Energy: 1.2496460302484496
Energy: 1.217136954820164
Energy: 1.2496460302469894
Energy: 1.2171369548196773
Energy: 1.2496460302484496
Energy: 1.217136954820164
Energy: 1.2496460302469894
Energy: 1.3469204204404899
Energy: 1.2588040300706989
Energy: 1.3469204204434098
Energy: 1.2588040300682657
Energy: 1.3469204204404899
Energy: 1.2588040300702124
Energy: 1.3469204204438963
Energy: 1.281723439324851
Energy: 1.2930227258024647
Energy: 1.2817234393263113
Energy: 1.2930227258005622
Energy: 1.2817234393253378
Energy: 1.2930227258029512
Energy: 1.2817234393263113
Energy: 1.2764993710220855
Energy: 1.349317949357881
Energy: 1.2764993710298722
Energy: 1.3493179493569079
Energy: 1.2764993710220855
Energy: 1.349317949357881
Energy: 1.2764993710298722
Energy: 1.2572526280249101
Energy: 1.31422379939669
Energy: 1.2572526280215037
Energy: 1.3142237993991235
Energy: 1.2572526280244234
Energy: 1.31422379939669
Energy: 1.2572526280215037
Energy: 1.2398508703105156
Energy: 1.3164062615420695
Energy: 1.2398508703148954
Energy: 1.3164062615425562
Energy: 1.2398508703105156
Energy: 1.3164062615420695
Energy: 1.2398508703148954
Energy: 1.2459874856342454
Energy: 1.3196515526226122
Energy: 1.245987485633759
Energy: 1.3196515526260186
Energy: 1.2459874856347324
Energy: 1.3196515526221253
Energy: 1.245987485633759
Energy: 1.2579158845614271
Energy: 1.2991674818448473
Energy: 1.2579158845628873
Energy: 1.2991674818487406
Energy: 1.2579158845624006
Energy: 1.2991674818448473
Energy: 1.2579158845633738

minimum gb energy = 1.2171369548196773 eV
minimum distance =  2.31529569228454 Angstroms
sigma value = 401


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

Energy: 1.4458487860817322
Energy: 1.3930310288451644
Energy: 1.362266304620673
Energy: 1.393031028847374
Energy: 1.4458487860839415
Energy: 1.393031028850136
Energy: 1.362266304620673
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Energy: 1.3160095576942366
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Energy: 1.4269490931168354
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Energy: 1.3930310288457166
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Energy: 1.3930310288479262
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Energy: 1.426237646142707
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Energy: 1.3998560006585492
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Energy: 1.3998909259536345
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Energy: 1.3998560006602065
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Energy: 1.3831772769383188
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Energy: 1.4321552975317067
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Energy: 1.3831772769388713
Energy: 1.365407185667479
Energy: 1.4262480166392633
Energy: 1.3654071856735555
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Energy: 1.3654071856724508
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Energy: 1.3654071856669265
Energy: 1.3727051016541698
Energy: 1.4265025898947397
Energy: 1.372700743325872
Energy: 1.426529536464436
Energy: 1.3727051016514078
Energy: 1.4265025898963968
Energy: 1.3727007433236624
Energy: 1.3664012820537694
Energy: 1.4321980835613282
Energy: 1.3660865968354043
Energy: 1.432208006539876
Energy: 1.366401282053217
Energy: 1.4321980835613282
Energy: 1.3660865968342992
Energy: 1.3046671743159781
Energy: 1.405889816592307
Energy: 1.304933093839972
Energy: 1.405889816600041
Energy: 1.3046671743154257
Energy: 1.4058898165994882
Energy: 1.3049330938355526
Energy: 1.333280206833748
Energy: 1.4256768639756252
Energy: 1.333833634345386
Energy: 1.425676863973968
Energy: 1.3332802068304335
Energy: 1.4256768639678914
Energy: 1.3338336343487007
Energy: 1.292494440091613
Energy: 1.3229364151233942
Energy: 1.292494440091613
Energy: 1.322936415121737
Energy: 1.2924944400905078
Energy: 1.322936415118975
Energy: 1.29249444009327
Energy: 1.3015595770385462
Energy: 1.3159949150066077
Energy: 1.301559577039651
Energy: 1.3159949150115797
Energy: 1.3015595770385462
Energy: 1.315994915014894
Energy: 1.3015595770390989
Energy: 1.362266304621778
Energy: 1.3930310288451644
Energy: 1.3622663046190158
Energy: 1.393031028846269
Energy: 1.3622663046223302
Energy: 1.3930310288495835
Energy: 1.3622663046190158
Energy: 1.2992320797852712
Energy: 1.307339572057814
Energy: 1.2992320797852712
Energy: 1.3074175573606155
Energy: 1.2992320797780899
Energy: 1.3073395720589185
Energy: 1.2992320797780899

minimum gb energy = 1.2924944400905078 eV
minimum distance =  2.32212841943807 Angstroms
sigma value = 311


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

Energy: 1.340699382201838
Energy: 1.3584115072953324
Energy: 1.2949539790869355
Energy: 1.4274413373612223
Energy: 1.3406993822043896
Energy: 1.3584115072934189
Energy: 1.294953979085022
Energy: 1.312092815633207
Energy: 1.2963629556258518
Energy: 1.2939319669826683
Energy: 1.3266354528186866
Energy: 1.3120928156351206
Energy: 1.2963629556271277
Energy: 1.2939319669833065
Energy: 1.3323601727601384
Energy: 1.4200560928866928
Energy: 1.332534970578686
Energy: 1.4285397084619846
Energy: 1.3323601727614145
Energy: 1.420056092885417
Energy: 1.3325349705805996
Energy: 1.4705058501770363
Energy: 1.394891585786486
Energy: 1.4694873892640514
Energy: 1.3948915857871238
Energy: 1.4705058501763983
Energy: 1.3948915857877617
Energy: 1.469487389265327
Energy: 1.4373336110122028
Energy: 1.3753972023504768
Energy: 1.4373080029902845
Energy: 1.3753972023504768
Energy: 1.4373336110102892
Energy: 1.3753972023517524
Energy: 1.4373080029909224
Energy: 1.2964102310944408
Energy: 1.441660672051295
Energy: 1.2964102310950785
Energy: 1.441478708168103
Energy: 1.296410231093165
Energy: 1.4416606720519327
Energy: 1.296410231093803
Energy: 1.2866102740278538
Energy: 1.4048413254959944
Energy: 1.2866102740291294
Energy: 1.4044270902324427
Energy: 1.2866102740291294
Energy: 1.4048413254947185
Energy: 1.2866102740278538
Energy: 1.3834438771243234
Energy: 1.356834753049799
Energy: 1.3834438771236854
Energy: 1.3568347530504368
Energy: 1.3834438771236854
Energy: 1.3568347530504368
Energy: 1.3834438771236854
Energy: 1.3691426372796627
Energy: 1.3554135132504335
Energy: 1.3691426372803004
Energy: 1.3554135132504335
Energy: 1.3691426372790247
Energy: 1.3554135132485197
Energy: 1.3691426372783868
Energy: 1.30670592080888
Energy: 1.4257075060088538
Energy: 1.3068577516812658
Energy: 1.4255193009597433
Energy: 1.3067059208082419
Energy: 1.4257075060056645
Energy: 1.3068577516825417
Energy: 1.323165142196982
Energy: 1.4511744770618609
Energy: 1.3230807167982257
Energy: 1.4510751671150721
Energy: 1.3231651421988955
Energy: 1.4511744770612232
Energy: 1.3230807167982257
Energy: 1.3933673964416098
Energy: 1.4424341560551335
Energy: 1.3933673964428857
Energy: 1.4415272301906055
Energy: 1.393367396439696
Energy: 1.4424341560557716
Energy: 1.3933673964409719
Energy: 1.3445520354115257
Energy: 1.4128152727074625
Energy: 1.3445520354115257
Energy: 1.4128152727074625
Energy: 1.3445520354128013
Energy: 1.4128152727081005
Energy: 1.3445520354115257
Energy: 1.272193521923608
Energy: 1.3044991980587044
Energy: 1.272193521924246
Energy: 1.3044991980574288
Energy: 1.272193521923608
Energy: 1.3044991980567908
Energy: 1.272193521924246
Energy: 1.3086222565954577
Energy: 1.3733098596571383
Energy: 1.3699012424793784
Energy: 1.3422074632527077
Energy: 1.3086222565948202
Energy: 1.3733098596571383
Energy: 1.3699012424793784
Energy: 1.2988809414103963
Energy: 1.3998491996903368
Energy: 1.3676494768849312
Energy: 1.3998491996903368
Energy: 1.2988809414072071
Energy: 1.399849199690975
Energy: 1.3676494768874827
Energy: 1.3276760884843657
Energy: 1.3385327986799378
Energy: 1.3266306619297783
Energy: 1.3455407250795672
Energy: 1.3276760884843657
Energy: 1.338532798678662
Energy: 1.3266306619265889
Energy: 1.335937834019163
Energy: 1.3230056936497727
Energy: 1.3350508146108286
Energy: 1.3180364161143208
Energy: 1.335937834019163
Energy: 1.3230056936484968
Energy: 1.3350508146121045
Energy: 1.4386719726973838
Energy: 1.3457527456062197
Energy: 1.4386719726986597
Energy: 1.3454874990500283
Energy: 1.4386719726992976
Energy: 1.3457527456055818
Energy: 1.4386719726980217
Energy: 1.4033250923972025
Energy: 1.503087116467525
Energy: 1.3905702787926202
Energy: 1.5030690106595708
Energy: 1.4033250923978406
Energy: 1.5030871164707145
Energy: 1.3905702787945338
Energy: 1.270772941598591
Energy: 1.309833379721635
Energy: 1.270772941599867
Energy: 1.3098333797203592
Energy: 1.2707729415960398
Energy: 1.3098333797235484
Energy: 1.2707729415979532
Energy: 1.2810743973807228
Energy: 1.287611203578126
Energy: 1.2810743973807228
Energy: 1.4536092819962043
Energy: 1.281074397383274
Energy: 1.2876112035806773
Energy: 1.2810743973801137
Energy: 1.3770814113515704
Energy: 1.3552215584090226
Energy: 1.3385368187981093
Energy: 1.4273667812734125
Energy: 1.3770814113515704
Energy: 1.3552215584083847
Energy: 1.3385368187955577
Energy: 1.3888943882308717
Energy: 1.44049736920186
Energy: 1.3679384410657014
Energy: 1.517681073722243
Energy: 1.388894388233423
Energy: 1.440497369201222
Energy: 1.3679384410669773
Energy: 1.3300835422073667
Energy: 1.3521187809451534
Energy: 1.330066863494637
Energy: 1.4299758489376655
Energy: 1.3300835422067288
Energy: 1.3521187809457913
Energy: 1.3300668634927235
Energy: 1.4557654094529915
Energy: 1.3321844565557788
Energy: 1.4560485957489084
Energy: 1.3283926831478894
Energy: 1.4557654094504402
Energy: 1.3321844565564167
Energy: 1.45604859575146
Energy: 1.4348657522740336
Energy: 1.3802922542340885
Energy: 1.432399491181068
Energy: 1.3802922542347265
Energy: 1.4348657522727577
Energy: 1.3802922542353642
Energy: 1.3584661834652052
Energy: 1.4055721090245457
Energy: 1.4394671944052524
Energy: 1.405572109025821
Energy: 1.4394239998769054
Energy: 1.405572109025821
Energy: 1.4394671944052524
Energy: 1.4055721090251834
Energy: 1.296259192121988
Energy: 1.2777340871680185
Energy: 1.2962591921213502
Energy: 1.2777340871673808
Energy: 1.2962591921226259
Energy: 1.2777340871654672
Energy: 1.2962591921226259
Energy: 1.368763835324626
Energy: 1.4361048325952117
Energy: 1.368763835325235
Energy: 1.436007871993207
Energy: 1.3687638353258729
Energy: 1.4361048325926602
Energy: 1.3687638353271487
Energy: 1.3804904540452347
Energy: 1.3552981020831762
Energy: 1.3804904540445968
Energy: 1.3552981020831762
Energy: 1.3804904540445968
Energy: 1.3552981020850898
Energy: 1.4025572721535682
Energy: 1.3078754744978225
Energy: 1.423484674455685
Energy: 1.3078167761178734
Energy: 1.4233920889619431
Energy: 1.3078754744965468
Energy: 1.423484674455685
Energy: 1.3078167761165975
Energy: 1.31218085394195
Energy: 1.363138895887088
Energy: 1.3119557060243516
Energy: 1.3631415756958787
Energy: 1.3121808539438635
Energy: 1.3631388958864503
Energy: 1.3119557060237137
Energy: 1.3784000509658711
Energy: 1.5178689128146936
Energy: 1.3784000509645957
Energy: 1.517317744832782
Energy: 1.3784000509652337
Energy: 1.517868912814056
Energy: 1.378400050966509
Energy: 1.4537480700972139
Energy: 1.3971694634587537
Energy: 1.4575876459021613
Energy: 1.5225332207463524
Energy: 1.4537480700972139
Energy: 1.3971694634574783
Energy: 1.4575876459008854
Energy: 1.2675045133610345
Energy: 1.2911836766504394
Energy: 1.2675045133603968
Energy: 1.2911836766491638
Energy: 1.2675045133616722
Energy: 1.2911836766504394
Energy: 1.2675045133629481

minimum gb energy = 1.2675045133603968 eV
minimum distance =  2.29237162144215 Angstroms
sigma value = 39


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

Energy: 1.2933310466721346
Energy: 1.3341165146587546
Energy: 1.2933310466713819
Energy: 1.3341165146595075
Energy: 1.2933310466721346
Energy: 1.3341165146587546
Energy: 1.2933310466721346
Energy: 1.3711481181934857
Energy: 1.1994213901589488
Energy: 1.3711481181949914
Energy: 1.1994213901566904
Energy: 1.3711481181934857
Energy: 1.1994213901589488
Energy: 1.3711481181957441
Energy: 1.2589875917501643
Energy: 1.2506901361597798
Energy: 1.2589875917501643
Energy: 1.2506901361597798
Energy: 1.2589875917501643
Energy: 1.2506901361597798
Energy: 1.2589875917501643
Energy: 1.3714455550022493
Energy: 1.1993334709981862
Energy: 1.3714455550014963
Energy: 1.1993334710011974
Energy: 1.3714455550014963
Energy: 1.199333470998939
Energy: 1.3714455550014963
Energy: 1.3685088776022658
Energy: 1.1989928891535018
Energy: 1.3685088776007601
Energy: 1.1989928891535018
Energy: 1.3685088776022658
Energy: 1.1989928891542547
Energy: 1.3685088776007601
Energy: 1.368761242042723
Energy: 1.1993802037815482
Energy: 1.3687612420389934
Energy: 1.1993802037837726
Energy: 1.368761242042723
Energy: 1.1993802037815482
Energy: 1.3687612420389934
Energy: 1.2875040372962243
Energy: 1.2528275654158136
Energy: 1.2875040372969773
Energy: 1.2528275654165664
Energy: 1.2875040372962243
Energy: 1.2528275654158136
Energy: 1.3973694939363823
Energy: 1.2590528417135458
Energy: 1.1999192294373024
Energy: 1.259052841709782
Energy: 1.1999192294350438
Energy: 1.2590528417135458
Energy: 1.1999192294373024
Energy: 1.259052841709782
Energy: 1.3520346548095519
Energy: 1.1990558040274364
Energy: 1.3520346548087991
Energy: 1.1990558040281891
Energy: 1.3520346548080464
Energy: 1.1990558040266834
Energy: 1.3520346548087991
Energy: 1.258964436456912
Energy: 1.3465760733898435
Energy: 1.258964436456912
Energy: 1.346576073388338
Energy: 1.258964436456912
Energy: 1.3465760733898435
Energy: 1.2589644364576649
Energy: 1.2867636559270965
Energy: 1.2009123772678265
Energy: 1.2867636559270965
Energy: 1.200912377265568
Energy: 1.2867636559270965
Energy: 1.2009123772670736
Energy: 1.3727306850797472
Energy: 1.2589302527195076
Energy: 1.1995454258637506
Energy: 1.2589302527195076
Energy: 1.1995454258614924
Energy: 1.2589302527195076
Energy: 1.1995454258629978
Energy: 1.2589302527195076
Energy: 1.308950774631934
Energy: 1.2017871917299383
Energy: 1.3089507746341924
Energy: 1.2017871917306913
Energy: 1.3089507746311813
Energy: 1.2017871917299383
Energy: 1.3089507746341924
Energy: 1.2595065399336283
Energy: 1.1994389981063647
Energy: 1.2595065399336283
Energy: 1.1994389981063647
Energy: 1.2595065399336283
Energy: 1.199438998105612
Energy: 1.2595065399336283
Energy: 1.2787426368600079
Energy: 1.2799448243001559
Energy: 1.2812840468586801
Energy: 1.2799448243024145
Energy: 1.2812840468571747
Energy: 1.2799448243001559
Energy: 1.2812840468586801
Energy: 1.2593096346119657
Energy: 1.1993961554637713
Energy: 1.2593096346134713
Energy: 1.1993961554637713
Energy: 1.2593096346119657
Energy: 1.1993961554637713
Energy: 1.2593096346142243
Energy: 1.3088248941194858
Energy: 1.2019315120565606
Energy: 1.3088248941194858
Energy: 1.2019315120527965
Energy: 1.3088248941202385
Energy: 1.2019315120565606
Energy: 1.3088248941187328
Energy: 1.259175400267944
Energy: 1.1995342195418714
Energy: 1.2591754002686966
Energy: 1.1995342195418714
Energy: 1.259175400267944
Energy: 1.1995342195418714
Energy: 1.259175400267944
Energy: 1.3711017034946458
Energy: 1.2010418940070922
Energy: 1.3711017034961517
Energy: 1.2010418940078451
Energy: 1.3711017034946458
Energy: 1.2010418940070922
Energy: 1.3711017034961517
Energy: 1.2591892881732587
Energy: 1.3465939568606724
Energy: 1.2591892881755171
Energy: 1.346593956859167
Energy: 1.2591892881732587
Energy: 1.3465939568606724
Energy: 1.2591892881762698
Energy: 1.352092035529982
Energy: 1.1990914575599103
Energy: 1.3520920355314878
Energy: 1.1990914575599103
Energy: 1.352092035529982
Energy: 1.1990914575606633
Energy: 1.3520920355314878
Energy: 1.2591906765789878
Energy: 1.1998089377213077
Energy: 1.259190676577482
Energy: 1.1998089377190493
Energy: 1.259190676578235
Energy: 1.1998089377213077
Energy: 1.259190676577482
Energy: 1.3711404347900817
Energy: 1.2527732431432232
Energy: 1.3711404347870706
Energy: 1.2527732431439762
Energy: 1.3711404347900817
Energy: 1.2527732431432232
Energy: 1.3711404347878233
Energy: 1.3687927161138058
Energy: 1.199363377346315
Energy: 1.3687927161138058
Energy: 1.199363377346315
Energy: 1.3687927161138058
Energy: 1.199363377346315
Energy: 1.3687927161138058
Energy: 1.3686641981855823
Energy: 1.1989975975330283
Energy: 1.3686641981855823
Energy: 1.1989975975337812
Energy: 1.368664198186335
Energy: 1.1989975975330283
Energy: 1.3686641981855823
Energy: 1.3713700180966293
Energy: 1.1995165671618766
Energy: 1.371370018097382
Energy: 1.1995165671581127
Energy: 1.3713700180966293
Energy: 1.1995165671618766
Energy: 1.371370018097382
Energy: 1.2589827461819687
Energy: 1.2506854370055167
Energy: 1.258982746180463
Energy: 1.250685437004011
Energy: 1.2589827461819687
Energy: 1.250685437004764
Energy: 1.258982746180463
Energy: 1.3711524435473563
Energy: 1.199450560871419
Energy: 1.3711524435503677
Energy: 1.1994505608706663
Energy: 1.3711524435466036
Energy: 1.199450560871419
Energy: 1.3711524435503677
Energy: 1.2933310466728873
Energy: 1.3341165146602603
Energy: 1.2933310466736403
Energy: 1.334116514661013
Energy: 1.2933310466728873
Energy: 1.3341165146602603
Energy: 1.2933310466736403
Energy: 1.3711481181919798
Energy: 1.199421390157443
Energy: 1.3711481181949914
Energy: 1.1994213901566904
Energy: 1.3711481181919798
Energy: 1.199421390157443
Energy: 1.3711481181942384

minimum gb energy = 1.1989928891535018 eV
minimum distance =  2.27136421893428 Angstroms
sigma value = 21


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

Energy: 1.2568238346669711
Energy: 1.3409675547035378
Energy: 1.2568238346669711
Energy: 1.3409675547035378
Energy: 1.2568238346669711
Energy: 1.3409675547035378
Energy: 1.2568238346669711
Energy: 1.1894003964171345
Energy: 1.1728808631220502
Energy: 1.1894003964171345
Energy: 1.1728808631220502
Energy: 1.1894003964171345
Energy: 1.1728808631220502
Energy: 1.1894003964171345
Energy: 1.2201627961788275
Energy: 1.218099890123743
Energy: 1.2201627961779136
Energy: 1.218099890123743
Energy: 1.2201627961788275
Energy: 1.218099890123743
Energy: 1.2201627961788275
Energy: 1.1555131466467357
Energy: 1.1755293463676495
Energy: 1.1555131466458217
Energy: 1.1755293463694771
Energy: 1.1555131466467357
Energy: 1.1755293463676495
Energy: 1.1555131466458217
Energy: 1.1535001771382773
Energy: 1.1343989879338763
Energy: 1.1535001771364497
Energy: 1.1343989879347902
Energy: 1.1535001771382773
Energy: 1.1343989879338763
Energy: 1.1535001771364497
Energy: 1.1444773967875124
Energy: 1.194136660544206
Energy: 1.1444773967875124
Energy: 1.194136660544206
Energy: 1.1444773967875124
Energy: 1.194136660544206
Energy: 1.1444773967875124
Energy: 1.0866607190607505
Energy: 1.2479863976871097
Energy: 1.0866607190598367
Energy: 1.2479863976880234
Energy: 1.0866607190607505
Energy: 1.2479863976871097
Energy: 1.0866607190598367
Energy: 1.1395766343239089
Energy: 1.1756699797455503
Energy: 1.139576634322995
Energy: 1.175669979746464
Energy: 1.1395766343239089
Energy: 1.1756699797455503
Energy: 1.139576634322995
Energy: 1.1785716633954855
Energy: 1.1703995403935448
Energy: 1.1785716633954855
Energy: 1.170399540392631
Energy: 1.1785716633954855
Energy: 1.1703995403935448
Energy: 1.1785716633954855
Energy: 1.154595296711622
Energy: 1.1998956672954306
Energy: 1.1545952967125361
Energy: 1.1998956672954306
Energy: 1.154595296711622
Energy: 1.1998956672945165
Energy: 1.1545952967125361
Energy: 1.0872810866932046
Energy: 1.1674109074297163
Energy: 1.0872810866922906
Energy: 1.1674109074297163
Energy: 1.0872810866932046
Energy: 1.1674109074288024
Energy: 1.0872810866922906
Energy: 1.1392392182111233
Energy: 1.1845016337775494
Energy: 1.139239218212037
Energy: 1.1845016337775494
Energy: 1.1392392182111233
Energy: 1.1845016337775494
Energy: 1.139239218212037
Energy: 1.1559048576366742
Energy: 1.157828300958988
Energy: 1.1559048576357602
Energy: 1.157828300958074
Energy: 1.1559048576366742
Energy: 1.157828300958988
Energy: 1.1559048576357602
Energy: 1.213369052137386
Energy: 1.2465068672995214
Energy: 1.213369052138279
Energy: 1.2465068672986075
Energy: 1.213369052137386
Energy: 1.2465068672995214
Energy: 1.213369052138279
Energy: 1.195811059691754
Energy: 1.1671877743962056
Energy: 1.1958110596899263
Energy: 1.1671877743971195
Energy: 1.195811059691754
Energy: 1.1671877743962056
Energy: 1.1958110596899263
Energy: 1.2776536432290142
Energy: 1.2306213203672909
Energy: 1.2776536432290142
Energy: 1.2306213203682048
Energy: 1.2776536432290142
Energy: 1.2306213203672909
Energy: 1.2776536432290142
Energy: 1.20395412081386
Energy: 1.1734475467697125
Energy: 1.2039541208147742
Energy: 1.1734475467687988
Energy: 1.20395412081386
Energy: 1.1734475467697125
Energy: 1.2039541208147742
Energy: 1.213495569115309
Energy: 1.2467181309435338
Energy: 1.213495569115309
Energy: 1.2467181309435338
Energy: 1.213495569115309
Energy: 1.2467181309435338
Energy: 1.213495569115309
Energy: 1.1541685010792062
Energy: 1.1666245029165996
Energy: 1.1541685010810339
Energy: 1.1666245029165996
Energy: 1.15416850108012
Energy: 1.1666245029165996
Energy: 1.1541685010810339
Energy: 1.1393906940604057
Energy: 1.1327293381502335
Energy: 1.139390694059492
Energy: 1.1327293381493195
Energy: 1.1393906940604057
Energy: 1.1327293381502335
Energy: 1.139390694059492
Energy: 1.154798586347573
Energy: 1.2557641601889025
Energy: 1.154798586347573
Energy: 1.2557641601898162
Energy: 1.154798586347573
Energy: 1.2557641601889025
Energy: 1.154798586347573
Energy: 1.0868879262924445
Energy: 1.1874256772087424
Energy: 1.0868879262924445
Energy: 1.1874256772087424
Energy: 1.0868879262924445
Energy: 1.187425677209656
Energy: 1.0868879262924445
Energy: 1.1544938904478284
Energy: 1.1669333733489586
Energy: 1.1544938904478284
Energy: 1.1669333733498728
Energy: 1.1544938904478284
Energy: 1.1669333733489586
Energy: 1.1544938904487423
Energy: 1.1544937644386928
Energy: 1.1320715785333728
Energy: 1.1544937644377788
Energy: 1.1320715785333728
Energy: 1.1544937644386928
Energy: 1.1320715785333728
Energy: 1.1544937644377788
Energy: 1.1548496371140657
Energy: 1.1981799157721005
Energy: 1.1548496371149795
Energy: 1.1981799157721005
Energy: 1.1548496371140657
Energy: 1.1981799157721005
Energy: 1.1548496371149795

minimum gb energy = 1.0866607190598367 eV
minimum distance =  2.32177139068677 Angstroms
sigma value = 113


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

Energy: 1.0665713002685633
Energy: 1.0976302599509298
Energy: 1.0665713002670334
Energy: 1.0976302599478696
Energy: 1.0665713002685633
Energy: 1.0976302599509298
Energy: 1.0665713002670334
Energy: 1.0605889300326032
Energy: 1.017132800871437
Energy: 1.0605889300341333
Energy: 1.0171328008673568
Energy: 1.0605889300326032
Energy: 1.0171328008719471
Energy: 1.0605889300346434
Energy: 1.061143133710894
Energy: 1.0344854304019686
Energy: 1.0611431337098742
Energy: 1.0344854304024784
Energy: 1.061143133710894
Energy: 1.0344854304024784
Energy: 1.0611431337098742
Energy: 1.0044009569544208
Energy: 1.0054576791057956
Energy: 1.004400956956461
Energy: 1.005457679107326
Energy: 1.0044009569544208
Energy: 1.0054576791057956
Energy: 1.004400956956461
Energy: 1.0328981851545154
Energy: 1.0488832916118882
Energy: 1.0328981851519652
Energy: 1.048883291609338
Energy: 1.0328981851545154
Energy: 1.0488832916118882
Energy: 1.0328981851519652
Energy: 0.9945306924952584
Energy: 1.0174117177467983
Energy: 0.9945306924978085
Energy: 1.0174117177467983
Energy: 0.9945306924957682
Energy: 1.0174117177473083
Energy: 0.9945306924983186
Energy: 0.9964514993456176
Energy: 1.0294299139072864
Energy: 0.9964514993481679
Energy: 1.0294299139067766
Energy: 0.9964514993456176
Energy: 1.0294299139072864
Energy: 0.9964514993481679
Energy: 1.036767626845631
Energy: 0.9712855350030098
Energy: 1.036767626844611
Energy: 0.9712855350060701
Energy: 1.036767626846141
Energy: 0.9712855350030098
Energy: 1.036767626844101
Energy: 0.9944822646159073
Energy: 1.000949600748075
Energy: 0.9944822646169273
Energy: 1.000949600748075
Energy: 0.9944822646159073
Energy: 1.000949600748075
Energy: 0.9944822646169273
Energy: 0.9910254615227878
Energy: 0.9739883453001059
Energy: 0.9910254615187074
Energy: 0.9739883452950056
Energy: 0.9910254615232978
Energy: 0.9739883453001059
Energy: 0.9910254615192177
Energy: 0.9964371843638099
Energy: 0.9894672795035458
Energy: 0.9964371843663603
Energy: 0.9894672795076261
Energy: 0.9964371843638099
Energy: 0.9894672795030359
Energy: 0.9964371843668702
Energy: 0.9864925199020492
Energy: 0.977206181780597
Energy: 0.9864925198969489
Energy: 0.977206181782127
Energy: 0.9864925199015393
Energy: 0.977206181780597
Energy: 0.9864925198969489
Energy: 0.9412094481397567
Energy: 1.0297163450191895
Energy: 0.9412094481392466
Energy: 1.0297163450222497
Energy: 0.9412094481402666
Energy: 1.0297163450186793
Energy: 0.9412094481392466
Energy: 0.989804479698099
Energy: 0.9746405883390639
Energy: 0.9898044796996291
Energy: 0.9746405883416143
Energy: 0.989804479698099
Energy: 0.9746405883390639
Energy: 0.9898044796996291
Energy: 0.981185758628134
Energy: 0.9527563322220187
Energy: 0.981185758628134
Energy: 0.9527563322240588
Energy: 0.9811857586286441
Energy: 0.9527563322220187
Energy: 0.981185758628134
Energy: 0.9803939611406303
Energy: 1.0059915578736973
Energy: 0.9803939611406303
Energy: 1.0059915578793077
Energy: 0.9803939611406303
Energy: 1.0059915578731873
Energy: 0.9803939611406303
Energy: 0.94361406470686
Energy: 0.9622184558648785
Energy: 0.94361406470686
Energy: 0.9622184558607981
Energy: 0.9436140647073701
Energy: 0.9622184558643685
Energy: 0.94361406470686
Energy: 0.9858593192659056
Energy: 0.9861510403673159
Energy: 0.9858593192669258
Energy: 0.9861510403703762
Energy: 0.9858593192659056
Energy: 0.9861510403673159
Energy: 0.9858593192664157
Energy: 0.996367282090604
Energy: 0.9533428545544221
Energy: 0.9963672820951479
Energy: 0.953342854553912
Energy: 0.996367282091114
Energy: 0.9533428545549323
Energy: 0.9963672820946377
Energy: 0.992951297049044
Energy: 0.9831394527761192
Energy: 0.992951297050064
Energy: 0.9831394527735692
Energy: 0.992951297049044
Energy: 0.9831394527710191
Energy: 0.992951297050064
Energy: 1.0005547677501683
Energy: 0.9624505312298847
Energy: 1.0005547677511881
Energy: 0.9624505312258508
Energy: 1.0005547677501683
Energy: 0.9624505312298847
Energy: 1.0005547677506783
Energy: 0.9969480793730424
Energy: 1.0096657632874337
Energy: 0.9969480793710023
Energy: 1.009665763287944
Energy: 0.9969480793730424
Energy: 1.0096657632874337
Energy: 0.9969480793715123
Energy: 0.9977670155270189
Energy: 1.008876619799726
Energy: 0.9977670155259989
Energy: 1.008876619797176
Energy: 0.9977670155270189
Energy: 1.008876619799216
Energy: 0.9977670155265089
Energy: 0.9935556767890342
Energy: 1.0318011651329762
Energy: 0.9935556767880142
Energy: 1.0318011651324661
Energy: 0.9935556767890342
Energy: 1.031801165130936
Energy: 0.9935556767880142
Energy: 0.9890650943513281
Energy: 0.9994451901334017
Energy: 0.9890650943472479
Energy: 0.9994451901359057
Energy: 0.989065094349798
Energy: 0.9994451901343756
Energy: 0.9890650943477579
Energy: 1.0591500584733788
Energy: 0.9980319554601202
Energy: 1.0591500584769489
Energy: 0.9980319554585902
Energy: 1.0591500584733788
Energy: 0.9980319554596103
Energy: 1.0591500584764388
Energy: 1.0714010261480647
Energy: 0.9986120307114341
Energy: 1.0714010261490845
Energy: 0.998612030715978
Energy: 1.0714010261480647
Energy: 0.9986120307119442
Energy: 1.0714010261485745
Energy: 1.037509588004051
Energy: 1.0452159856070877
Energy: 1.037509588000481
Energy: 1.045215985610148
Energy: 1.0375095880035412
Energy: 1.0452159856055574
Energy: 1.037509588000481
Energy: 1.0371303408714345
Energy: 1.0170404955940147
Energy: 1.037130340881125
Energy: 1.0170404955894243
Energy: 1.0371303408760246
Energy: 1.0170404955940147
Energy: 1.037130340881125
Energy: 1.0402408210789145
Energy: 0.998040956706261
Energy: 1.0402408210794245
Energy: 0.9980409567057509
Energy: 1.0402408210789145
Energy: 0.9980409567057509
Energy: 1.0402408210789145
Energy: 1.0321444374454531
Energy: 0.9973050148386715
Energy: 1.0321444374474935
Energy: 0.9973050148402016
Energy: 1.0321444374454531
Energy: 0.9973050148386715
Energy: 1.0321444374464732
Energy: 0.9933827574274534
Energy: 1.0174829016062334
Energy: 0.9933827574305136
Energy: 1.017482901604193
Energy: 0.9933827574274534
Energy: 1.0174829016072533
Energy: 0.9933827574310238
Energy: 0.9889100716881862
Energy: 1.0156531008315142
Energy: 0.9889100716871663
Energy: 1.0156531008315142
Energy: 0.9889100716886963
Energy: 1.0156531008315142
Energy: 0.9889100716871663
Energy: 0.9874538902617503
Energy: 0.9942005934137335
Energy: 0.9874538902582266
Energy: 0.9942005934086795
Energy: 0.9874538902617503
Energy: 0.9942005934142436
Energy: 0.9874538902582266
Energy: 1.0330406791922702
Energy: 0.9665860885179607
Energy: 1.0330406791902298
Energy: 0.9665860885149007
Energy: 1.0330406791922702
Energy: 0.9665860885179607
Energy: 1.0330406791902298
Energy: 0.9831008361109392
Energy: 0.9791689526610096
Energy: 0.983100836107369
Energy: 0.9791689526645799
Energy: 0.9831008361104292
Energy: 0.9791689526610096
Energy: 0.983100836107369
Energy: 0.9953770691294513
Energy: 0.9712829825825859
Energy: 0.9953770691325117
Energy: 0.9712829825800358
Energy: 0.9953770691299615
Energy: 0.9712829825825859
Energy: 0.9953770691325117
Energy: 0.97066375016464
Energy: 0.9549047777654849
Energy: 0.9706637501661701
Energy: 0.9549047777639548
Energy: 0.9706637501641299
Energy: 0.9549047777659949
Energy: 0.9706637501661701
Energy: 0.9858094359753511
Energy: 1.0043544567956093
Energy: 0.9858094359712708
Energy: 1.0043544567956093
Energy: 0.9858094359753511
Energy: 1.004354456795099
Energy: 0.9858094359712708
Energy: 0.9423692534706704
Energy: 1.029878739182078
Energy: 0.94236925346608
Energy: 1.029878739180038
Energy: 0.9423692534706704
Energy: 1.029878739180548
Energy: 0.94236925346608
Energy: 0.978475806281847
Energy: 0.9713190465249871
Energy: 0.9784758062813371
Energy: 0.9713190465260072
Energy: 0.9784758062813371
Energy: 0.9713190465244771
Energy: 0.9784758062813371
Energy: 0.9801898850299963
Energy: 0.9581315086973174
Energy: 0.9801898850284663
Energy: 0.9581315086927271
Energy: 0.9801898850299963
Energy: 0.9581315086973174
Energy: 0.980189885027956
Energy: 0.9999092772945337
Energy: 1.0044644294825478
Energy: 0.9999092772924937
Energy: 1.0044644294789775
Energy: 0.9999092772945337
Energy: 1.0044644294830578
Energy: 0.9999092772924937
Energy: 0.9448682177037281
Energy: 0.9594852217415898
Energy: 0.9448682176981178
Energy: 0.9594852217436297
Energy: 0.9448682177037281
Energy: 0.9594852217415898
Energy: 0.9448682176981178
Energy: 0.9810870223209132
Energy: 0.9840517425480587
Energy: 0.9810870223219331
Energy: 0.9840517425521389
Energy: 0.9810870223209132
Energy: 0.9840517425480587
Energy: 0.9810870223219331

minimum gb energy = 0.9412094481392466 eV
minimum distance =  2.30886561577448 Angstroms
sigma value = 365


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

Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 2.0841838687629672
Energy: 1.1507566434370196
Energy: 2.252192685195351
Energy: 1.1507566434381695
Energy: 2.252127020396899
Energy: 1.1507566434370196
Energy: 2.252097128985105
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639444965
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639444965
Energy: 2.084190374174006
Energy: 1.1507566434381695
Energy: 2.0841810372257465
Energy: 1.1507566434381695
Energy: 2.08418035332342
Energy: 1.1507566434381695
Energy: 2.0841798436277004
Energy: 0.3965831263967495
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.3965831263967495
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 2.084181061040483
Energy: 1.1507566434381695
Energy: 2.0841856795891816
Energy: 1.1507566434370196
Energy: 2.0841810268396395
Energy: 1.1507566434381695
Energy: 2.084193439252953
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 2.084186518010881
Energy: 1.1507566434370196
Energy: 2.2521868677773966
Energy: 1.1507566434381695
Energy: 2.227972068477384
Energy: 1.1507566434370196
Energy: 2.227972068477384
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.3965831263967495
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.3965831263967495
Energy: 2.08419841108833
Energy: 1.1507566434381695
Energy: 2.084191099775975
Energy: 1.1507566434381695
Energy: 2.084201769268256
Energy: 1.1507566434381695
Energy: 2.084204010054098
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 2.084184063445238
Energy: 1.1507566434381695
Energy: 2.084179779069615
Energy: 1.1507566434370196
Energy: 2.0841815047976837
Energy: 1.1507566434381695
Energy: 2.084181015851206
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 2.0842020604324705
Energy: 1.1507566434370196
Energy: 2.084182610587287
Energy: 1.1507566434381695
Energy: 2.0841943865461636
Energy: 1.1507566434370196
Energy: 2.084188045268221
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639444965
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639444965
Energy: 2.0842080585500637
Energy: 1.1507566434381695
Energy: 2.084213669853651
Energy: 1.1507566434381695
Energy: 2.084198810879226
Energy: 1.1507566434381695
Energy: 2.0842090503164865
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 0.3334368324358682
Energy: 0.39658312639559956
Energy: 0.3334368324347182
Energy: 0.39658312639559956
Energy: 2.084204535768081
Energy: 1.1507566434381695
Energy: 2.084198448213305
Energy: 1.1507566434370196
Energy: 2.0841795568059722
Energy: 1.1507566434381695
Energy: 2.084200867210294
Energy: 0.39658312639444965
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 0.3334368324335683
Energy: 0.39658312639559956
Energy: 2.0842029258838655
Energy: 1.1507566434370196
Energy: 2.084208994964057
Energy: 1.1507566434381695
Energy: 2.0842119098500196
Energy: 1.1507566434370196
Energy: 2.084199033484266

minimum gb energy = 0.3334368324335683 eV
minimum distance =  2.29833175594554 Angstroms
sigma value = 23