Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
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=2.8599998205900192
cohesive_energy=1.5373099021567544
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: 0.005829612066107291
Energy: 0.5377202400675714
Energy: 0.005829612066107291
Energy: 0.5377202400675714
Energy: 0.005829612066107291
Energy: 0.537720240067969
Energy: 0.005829612066107291
Energy: 0.006005399890724912
Energy: 0.46101794928132833
Energy: 0.006005399890724912
Energy: 0.4610179492809306
Energy: 0.006005399890724912
Energy: 0.46101794928132833
Energy: 0.006005399890724912
Energy: 0.38861358123480705
Energy: 0.46100060873941945
Energy: 0.38861358123480705
Energy: 0.46100060873941945
Energy: 0.38861358123480705
Energy: 0.46100060873902166
Energy: 0.38861358123480705
Energy: 0.006005399890724912
Energy: 0.4610179492809306
Energy: 0.006005399890724912
Energy: 0.4610179492809306
Energy: 0.006005399890724912
Energy: 0.4610179492809306
Energy: 0.006005399890327178
Energy: 0.005829612066107291
Energy: 0.537720240067969
Energy: 0.005829612066107291
Energy: 0.5377202400675714
Energy: 0.005829612066107291
Energy: 0.5377202400675714
Energy: 0.005829612066107291
Energy: 0.006005399890327178
Energy: 0.4610179492809306
Energy: 0.006005399890724912
Energy: 0.4610179492809306
Energy: 0.006005399890327178
Energy: 0.4610179492809306
Energy: 0.006005399890724912

minimum gb energy = 0.005829612066107291 eV
minimum distance =  2.47469651533517 Angstroms
sigma value = 5


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

Energy: 1.3215524365131703
Energy: 1.5483364498283445
Energy: 1.3215524365136588
Energy: 1.5483364498298104
Energy: 1.3215524365131703
Energy: 1.5483364498298104
Energy: 1.3215524365136588
Energy: 1.3639313483028248
Energy: 1.3159989349358658
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Energy: 1.3159989349368433
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Energy: 1.303381271535553
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Energy: 1.2706673610267607
Energy: 1.1613875425661058
Energy: 1.270667361026272
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Energy: 1.2706673610272494
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Energy: 1.3879200663153903
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Energy: 1.2736895232491754
Energy: 1.41056855179538
Energy: 1.2736895232501526
Energy: 1.4105685517944027
Energy: 1.2736895232491754
Energy: 1.4105685517948914
Energy: 1.2736895232501526
Energy: 1.255586213772176
Energy: 1.3232792162511708
Energy: 1.255586213772176
Energy: 1.3232792162516596
Energy: 1.255586213772176
Energy: 1.3232792162511708
Energy: 1.255586213772176
Energy: 1.2669639189670787
Energy: 1.2294506865944288
Energy: 1.2669639189670787
Energy: 1.2294506865944288
Energy: 1.2669639189670787
Energy: 1.2294506865944288
Energy: 1.2669639189670787
Energy: 1.2308487254619713
Energy: 1.2689638306196223
Energy: 1.2308487254624598
Energy: 1.2689638306196223
Energy: 1.2308487254619713
Energy: 1.2689638306196223
Energy: 1.2308487254624598
Energy: 1.19788360855467
Energy: 1.3155425112811896
Energy: 1.1978836085556475
Energy: 1.3155425112811896
Energy: 1.1978836085551587
Energy: 1.3155425112811896
Energy: 1.1978836085556475
Energy: 1.2378221258124515
Energy: 1.26593672052672
Energy: 1.2378221258134288
Energy: 1.26593672052672
Energy: 1.23782212581294
Energy: 1.2659367205262313
Energy: 1.23782212581294

minimum gb energy = 1.136848393067356 eV
minimum distance =  2.32326836961157 Angstroms
sigma value = 401


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

Energy: 1.31014142116836
Energy: 1.320882680916779
Energy: 1.3101414211689149
Energy: 1.320882680916779
Energy: 1.31014142116836
Energy: 1.320882680916779
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Energy: 1.2293626530414954
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Energy: 1.2750005801364301
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Energy: 1.2750005801364301
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Energy: 1.3603374240428616
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Energy: 1.3654640933465534
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Energy: 1.365464093347108
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Energy: 1.3654640933465534
Energy: 1.325569097799279
Energy: 1.3445152928413853
Energy: 1.3255690977998336
Energy: 1.3445152928419397
Energy: 1.325569097799279
Energy: 1.3445152928413853
Energy: 1.325569097799279
Energy: 1.2164623734271094
Energy: 1.2824574476186266
Energy: 1.2164623734271094
Energy: 1.2824574476186266
Energy: 1.216462373427664
Energy: 1.2824574476186266
Energy: 1.2164623734271094
Energy: 1.2092045158757734
Energy: 1.2996006387546255
Energy: 1.2092045158763278
Energy: 1.2996006387540706
Energy: 1.2092045158757734
Energy: 1.2996006387540706
Energy: 1.2092045158763278
Energy: 1.1998708959456192
Energy: 1.2430977500811775
Energy: 1.1998708959456192
Energy: 1.243097750080623
Energy: 1.1998708959456192
Energy: 1.243097750084506
Energy: 1.1998708959456192
Energy: 1.2293449523534872
Energy: 1.3326345218345104
Energy: 1.2293449523534872
Energy: 1.3326345218361744
Energy: 1.2293449523534872
Energy: 1.3326345218345104
Energy: 1.2293449523534872
Energy: 1.3101414211678055
Energy: 1.3208826809173337
Energy: 1.31014142116836
Energy: 1.3208826809173337
Energy: 1.31014142116836
Energy: 1.320882680916779
Energy: 1.3101414211689149
Energy: 1.2293626530414954
Energy: 1.2341537327529093
Energy: 1.22936265304205
Energy: 1.2341537327523544
Energy: 1.2293626530414954
Energy: 1.2341537327523544
Energy: 1.22936265304205

minimum gb energy = 1.1747783933427893 eV
minimum distance =  2.31082873026976 Angstroms
sigma value = 311


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

Energy: 1.3335005653832694
Energy: 1.337145968487463
Energy: 1.3218042118095663
Energy: 1.3688149820537312
Energy: 1.333500565383524
Energy: 1.3371459684872664
Energy: 1.3218042118096318
Energy: 1.2786828116742863
Energy: 1.2350088448933885
Energy: 1.2735618869084402
Energy: 1.28864561301602
Energy: 1.2786828116742863
Energy: 1.2350088448932646
Energy: 1.2735618869084402
Energy: 1.2109772061251738
Energy: 1.3103959526274418
Energy: 1.2109661516839092
Energy: 1.2971455971740047
Energy: 1.2109772061256179
Energy: 1.3103959526277622
Energy: 1.2109661516837782
Energy: 1.337538360428053
Energy: 1.3544484179738252
Energy: 1.3575047512182805
Energy: 1.35444841797376
Energy: 1.3375383604281113
Energy: 1.354448417973949
Energy: 1.3575047512180913
Energy: 1.4457177954509166
Energy: 1.3373471928025824
Energy: 1.445743308259512
Energy: 1.3373471928025824
Energy: 1.4457177954509166
Energy: 1.3373471928023277
Energy: 1.4457433082598323
Energy: 1.2026192218938336
Energy: 1.324897789672907
Energy: 1.2026192218937757
Energy: 1.3248977896730307
Energy: 1.2026192218937757
Energy: 1.324897789672907
Energy: 1.2026192218937102
Energy: 1.223306574968841
Energy: 1.3120973697068725
Energy: 1.2233065749689065
Energy: 1.3120973697071272
Energy: 1.223306574968841
Energy: 1.3120973697067488
Energy: 1.2233065749689065
Energy: 1.4350410910369562
Energy: 1.3074639001342814
Energy: 1.435041091036825
Energy: 1.3074639001342157
Energy: 1.435041091036767
Energy: 1.3074639001342157
Energy: 1.4350410910365703
Energy: 1.38720216298917
Energy: 1.3067934819784948
Energy: 1.3872021629890388
Energy: 1.3067934819783056
Energy: 1.3872021629889077
Energy: 1.30679348197856
Energy: 1.3872021629890388
Energy: 1.169128794889735
Energy: 1.3660638082270282
Energy: 1.1691349337557133
Energy: 1.3659074289420927
Energy: 1.169128794889546
Energy: 1.3660638082266425
Energy: 1.1691349337557133
Energy: 1.242125465322176
Energy: 1.3548455947838995
Energy: 1.2421115882492872
Energy: 1.3548592041270424
Energy: 1.242125465322176
Energy: 1.3548455947837759
Energy: 1.2421115882494111
Energy: 1.3899848862192972
Energy: 1.3982576755737928
Energy: 1.3899848862194866
Energy: 1.4030079785616076
Energy: 1.389984886219421
Energy: 1.3982576755740477
Energy: 1.3899848862194866
Energy: 1.316854951399014
Energy: 1.3680506786640902
Energy: 1.316854951398956
Energy: 1.3680506786638353
Energy: 1.316854951398956
Energy: 1.3680506786637119
Energy: 1.316854951399014
Energy: 1.1901420863868357
Energy: 1.2635182041347286
Energy: 1.1901420863870906
Energy: 1.2635182041345976
Energy: 1.1901420863869667
Energy: 1.2635182041347286
Energy: 1.1901420863870251
Energy: 1.3241886559916234
Energy: 1.4178808034745767
Energy: 1.3241886559916234
Energy: 1.4178808034745112
Energy: 1.3241886559917546
Energy: 1.4178808034743802
Energy: 1.3241886559918783
Energy: 1.295956429039888
Energy: 1.3735510528346633
Energy: 1.2959564290396988
Energy: 1.3735510528347938
Energy: 1.2959564290396988
Energy: 1.3735510528349177
Energy: 1.2959564290398227
Energy: 1.2492179116585556
Energy: 1.241274887347046
Energy: 1.2497523262678678
Energy: 1.2412748873469808
Energy: 1.2492179116585556
Energy: 1.2412748873472352
Energy: 1.2497523262678096
Energy: 1.2266616258589995
Energy: 1.216208907367867
Energy: 1.226672018167589
Energy: 1.2161531051240875
Energy: 1.2266616258589995
Energy: 1.2162089073680562
Energy: 1.2266720181673272
Energy: 1.44085826497582
Energy: 1.396649140844831
Energy: 1.4484516080434398
Energy: 1.3966491408447
Energy: 1.4408582649758852
Energy: 1.3966491408447
Energy: 1.4461136402358155
Energy: 1.4162393162172169
Energy: 1.4129466239020696
Energy: 1.4172964541819724
Energy: 1.4129975708207212
Energy: 1.4162393162171514
Energy: 1.4129466239020696
Energy: 1.4172964541819724
Energy: 1.201766097258149
Energy: 1.2495300457371634
Energy: 1.2017660972582147
Energy: 1.249530045736843
Energy: 1.2017660972582802
Energy: 1.2495300457372287
Energy: 1.2017660972582802
Energy: 1.2256010103442052
Energy: 1.2525546037715036
Energy: 1.2256010103442052
Energy: 1.3908683761884075
Energy: 1.2256010103440818
Energy: 1.2525546037716273
Energy: 1.2256010103442052
Energy: 1.4801409795599636
Energy: 1.3346817509043358
Energy: 1.3604668784638343
Energy: 1.40092004877124
Energy: 1.4396624950924868
Energy: 1.3346817509042705
Energy: 1.3604668784637686
Energy: 1.2692107038635057
Energy: 1.3511696293192892
Energy: 1.2867245622478478
Energy: 1.406863613539352
Energy: 1.2692107038637603
Energy: 1.3511696293189688
Energy: 1.2867245622476586
Energy: 1.2076258590489608
Energy: 1.2970061991042585
Energy: 1.2093846224524603
Energy: 1.3154130316998625
Energy: 1.20762585904915
Energy: 1.297006199104193
Energy: 1.2093846224526568
Energy: 1.3233776972463993
Energy: 1.3056137041247962
Energy: 1.317100813592824
Energy: 1.4284586706590021
Energy: 1.3233776972465232
Energy: 1.3056137041247962
Energy: 1.3171008135926927
Energy: 1.3926461708324196
Energy: 1.3531618274680663
Energy: 1.3646125859211122
Energy: 1.3531618274680663
Energy: 1.4438140960346995
Energy: 1.3531618274680663
Energy: 1.449718663440335
Energy: 1.3028836387291987
Energy: 1.3724153559507757
Energy: 1.3028836387294536
Energy: 1.3724153559507104
Energy: 1.3028836387292642
Energy: 1.3724153559507757
Energy: 1.3028836387292642
Energy: 1.2136435880679979
Energy: 1.2191227403644658
Energy: 1.2136435880679979
Energy: 1.2191227403644003
Energy: 1.2136435880676122
Energy: 1.2191227403647207
Energy: 1.213643588067867
Energy: 1.2865759756056045
Energy: 1.3734121569363356
Energy: 1.2865759756053496
Energy: 1.3733756536921398
Energy: 1.2865759756054154
Energy: 1.37341215693659
Energy: 1.2865759756056045
Energy: 1.416006280397356
Energy: 1.3346087485138531
Energy: 1.4160062803972322
Energy: 1.3346087485139118
Energy: 1.4348936729767017
Energy: 1.334608748513977
Energy: 1.4349295535966617
Energy: 1.207446452535221
Energy: 1.3488107682531536
Energy: 1.2074658149013886
Energy: 1.3534106823338183
Energy: 1.2074464525352866
Energy: 1.3488107682529644
Energy: 1.2074658149013229
Energy: 1.1862302386887458
Energy: 1.2476253889344902
Energy: 1.1862356405601795
Energy: 1.247607309829767
Energy: 1.1862302386885566
Energy: 1.2476253889344902
Energy: 1.1862356405600556
Energy: 1.3856480829360376
Energy: 1.4639817365918173
Energy: 1.3856480829360376
Energy: 1.4637854576766953
Energy: 1.3856480829360376
Energy: 1.4639817365916863
Energy: 1.3856480829361681
Energy: 1.359690205479932
Energy: 1.4457758862726657
Energy: 1.3597160317914498
Energy: 1.4604157562811826
Energy: 1.374821134334286
Energy: 1.4457758862726002
Energy: 1.3731509884096011
Energy: 1.1818735359399881
Energy: 1.2556171310853406
Energy: 1.1818735359398642
Energy: 1.2556171310853406
Energy: 1.1818735359398642
Energy: 1.2556171310854058
Energy: 1.1818735359397987

minimum gb energy = 1.169128794889546 eV
minimum distance =  2.29403906873019 Angstroms
sigma value = 39


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

Energy: 1.2398109912870825
Energy: 1.25081225927787
Energy: 1.2398109912878386
Energy: 1.25081225927787
Energy: 1.2398109912878386
Energy: 1.25081225927787
Energy: 1.2398109912878386
Energy: 1.245371891994283
Energy: 1.250432023419366
Energy: 1.245371891994283
Energy: 1.250432023419366
Energy: 1.245371891994283
Energy: 1.250432023419366
Energy: 1.245371891994283
Energy: 1.4316398268972867
Energy: 1.2265873877612
Energy: 1.4316398268980424
Energy: 1.2265873877604436
Energy: 1.4316398268980424
Energy: 1.2265873877612
Energy: 1.4316398268980424
Energy: 1.3283443946672815
Energy: 1.2412272657877859
Energy: 1.3283443946672815
Energy: 1.2412272657877859
Energy: 1.3283443946672815
Energy: 1.2412272657877859
Energy: 1.3283443946672815
Energy: 1.3232784994121198
Energy: 1.2020851349644783
Energy: 1.3232784994121198
Energy: 1.2020851349637223
Energy: 1.3232784994121198
Energy: 1.2020851349637223
Energy: 1.3232784994121198
Energy: 1.2714856256059912
Energy: 1.2149981527839642
Energy: 1.2714856256059912
Energy: 1.2149981527839642
Energy: 1.2714856256059912
Energy: 1.2149981527839642
Energy: 1.2714856256059912
Energy: 1.417528352887233
Energy: 1.1553120069235367
Energy: 1.4175283528864768
Energy: 1.1553120069235367
Energy: 1.4457359487628587
Energy: 1.1553120069235367
Energy: 1.4458754484640828
Energy: 1.317646156519384
Energy: 1.165634150005986
Energy: 1.317646156519384
Energy: 1.16563415000523
Energy: 1.317646156519384
Energy: 1.165634150005986
Energy: 1.317646156519384
Energy: 1.362253030192378
Energy: 1.156002512006545
Energy: 1.3622530301946458
Energy: 1.156002512006545
Energy: 1.362253030192378
Energy: 1.156002512006545
Energy: 1.362253030192378
Energy: 1.2518913073683717
Energy: 1.264206863258729
Energy: 1.2518913073683717
Energy: 1.264206863258729
Energy: 1.2518913073683717
Energy: 1.264206863258729
Energy: 1.2518913073683717
Energy: 1.3314404204156456
Energy: 1.203050453423248
Energy: 1.2109894337870337
Energy: 1.2030504534240039
Energy: 1.2109894337870337
Energy: 1.2030504534240039
Energy: 1.2109894337870337
Energy: 1.2865759377286028
Energy: 1.2346353544345663
Energy: 1.2865759377286028
Energy: 1.2346353544345663
Energy: 1.2865759377286028
Energy: 1.2346353544345663
Energy: 1.2865759377286028
Energy: 1.395468015346981
Energy: 1.2409874334276285
Energy: 1.395468015346225
Energy: 1.2409874334276285
Energy: 1.395468015346225
Energy: 1.2409874334276285
Energy: 1.395468015346981
Energy: 1.2415353272724807
Energy: 1.196922966561393
Energy: 1.2415353272717249
Energy: 1.196922966561393
Energy: 1.2415353272724807
Energy: 1.196922966561393
Energy: 1.2415353272717249
Energy: 1.2766267042189239
Energy: 1.2850717083386252
Energy: 1.2958918193181064
Energy: 1.2850717083386252
Energy: 1.2766267042219388
Energy: 1.2850717083386252
Energy: 1.2958918193181064
Energy: 1.241289011893405
Energy: 1.1584335604016034
Energy: 1.2412890118919018
Energy: 1.1584335604016034
Energy: 1.241289011893405
Energy: 1.1584335604016034
Energy: 1.2412890118919018
Energy: 1.3808873996055346
Energy: 1.1837878470742627
Energy: 1.3808873996070465
Energy: 1.1837878470742627
Energy: 1.3808873996055346
Energy: 1.1837878470742627
Energy: 1.3808873996055346
Energy: 1.2546526770144302
Energy: 1.180900679491089
Energy: 1.2546526770144302
Energy: 1.180900679491089
Energy: 1.2546526770144302
Energy: 1.180900679491089
Energy: 1.2546526770144302
Energy: 1.3061162590289022
Energy: 1.2198970691159954
Energy: 1.3061162590289022
Energy: 1.2198970691152398
Energy: 1.3061162590289022
Energy: 1.2198970691152398
Energy: 1.3061162590289022
Energy: 1.2520051755236097
Energy: 1.264260827417669
Energy: 1.2520051755228536
Energy: 1.264260827417669
Energy: 1.2520051755236097
Energy: 1.264260827417669
Energy: 1.2520051755228536
Energy: 1.374888765077846
Energy: 1.209851159309186
Energy: 1.374888765077846
Energy: 1.2098511593084305
Energy: 1.374888765077846
Energy: 1.209851159309186
Energy: 1.374888765077846
Energy: 1.3599391546629964
Energy: 1.2294320270247487
Energy: 1.3599391546629964
Energy: 1.2294320270247487
Energy: 1.3599391546629964
Energy: 1.2294320270247487
Energy: 1.3599391546629964
Energy: 1.3901365010527262
Energy: 1.19592528269811
Energy: 1.3901365010527262
Energy: 1.19592528269811
Energy: 1.3901365010527262
Energy: 1.19592528269811
Energy: 1.3901365010527262
Energy: 1.3044826900250883
Energy: 1.2557142096291036
Energy: 1.3044826900258442
Energy: 1.2557142096291036
Energy: 1.3044826900250883
Energy: 1.2557142096291036
Energy: 1.3044826900250883
Energy: 1.300135915737063
Energy: 1.1532933272471466
Energy: 1.3001359157378192
Energy: 1.1532933272479027
Energy: 1.300135915737063
Energy: 1.1532933272479027
Energy: 1.3001359157378192
Energy: 1.3575931364394225
Energy: 1.173528316744117
Energy: 1.3575931364394225
Energy: 1.173528316744117
Energy: 1.3575931364394225
Energy: 1.173528316744117
Energy: 1.3575931364394225
Energy: 1.265693110589944
Energy: 1.1655050931820055
Energy: 1.265693110589944
Energy: 1.1655050931827613
Energy: 1.2656931105907
Energy: 1.1655050931820055
Energy: 1.265693110589944
Energy: 1.2453297927863431
Energy: 1.1855735863049182
Energy: 1.2453297927863431
Energy: 1.1855735863049182
Energy: 1.2453297927863431
Energy: 1.1855735863049182
Energy: 1.2453297927863431
Energy: 1.2398109912878386
Energy: 1.25081225927787
Energy: 1.2398109912878386
Energy: 1.25081225927787
Energy: 1.2398109912878386
Energy: 1.25081225927787
Energy: 1.2398109912878386
Energy: 1.245371891994283
Energy: 1.250432023419366
Energy: 1.245371891994283
Energy: 1.250432023419366
Energy: 1.245371891994283
Energy: 1.250432023419366
Energy: 1.245371891994283

minimum gb energy = 1.1532933272471466 eV
minimum distance =  2.29506202669095 Angstroms
sigma value = 21


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

Energy: 1.158204324451388
Energy: 1.223116758018781
Energy: 1.1582043244514715
Energy: 1.2231167580184161
Energy: 1.158204324451388
Energy: 1.2231167580186872
Energy: 1.1582043244514715
Energy: 1.1960713907610507
Energy: 1.1459862549265614
Energy: 1.1960713907608733
Energy: 1.1459862549263842
Energy: 1.1960713907609568
Energy: 1.1459862549263842
Energy: 1.1960713907608733
Energy: 1.1925679201203359
Energy: 1.3541554081481224
Energy: 1.19256792012043
Energy: 1.354155408147841
Energy: 1.1925679201205237
Energy: 1.3541554081477472
Energy: 1.192567920119971
Energy: 1.2534388599468003
Energy: 1.1541191837014608
Energy: 1.2534388599468003
Energy: 1.1541191837011897
Energy: 1.2534388599468003
Energy: 1.1541191837014608
Energy: 1.2534388599468003
Energy: 1.0605932258562947
Energy: 1.2369297841268754
Energy: 1.0605932258562112
Energy: 1.2369297841266873
Energy: 1.0605932258562947
Energy: 1.236929784126969
Energy: 1.0605932258562112
Energy: 1.129423354836005
Energy: 1.1952860245216006
Energy: 1.129423354835922
Energy: 1.1952860245216006
Energy: 1.129423354836005
Energy: 1.1952860245216947
Energy: 1.129423354835828
Energy: 1.0249745861359756
Energy: 1.3978580259614692
Energy: 1.0249745861359756
Energy: 1.3978580259611983
Energy: 1.0249745861358817
Energy: 1.3978580259614692
Energy: 1.0249745861358817
Energy: 1.1258565609926356
Energy: 1.1595912692321968
Energy: 1.1258565609925417
Energy: 1.1595912692322907
Energy: 1.1258565609925417
Energy: 1.1595912692321968
Energy: 1.1258565609925417
Energy: 1.1705439743878283
Energy: 1.1564423470321257
Energy: 1.170543974387912
Energy: 1.1564423470320317
Energy: 1.170543974387912
Energy: 1.1564423470321257
Energy: 1.1705439743878283
Energy: 1.13108101289214
Energy: 1.4163906469446876
Energy: 1.131081012892234
Energy: 1.4163906469446876
Energy: 1.13108101289214
Energy: 1.416390646944594
Energy: 1.131081012892234
Energy: 1.0193070658493113
Energy: 1.1560023145898792
Energy: 1.0193070658491237
Energy: 1.1560023145899732
Energy: 1.0193070658492174
Energy: 1.1560023145899732
Energy: 1.0193070658498535
Energy: 1.0858875779937485
Energy: 1.2077845017114912
Energy: 1.085887577993842
Energy: 1.2077845017114912
Energy: 1.0858875779937485
Energy: 1.2077845017115745
Energy: 1.0858875779937485
Energy: 1.1173922195518036
Energy: 1.1450575035005306
Energy: 1.1173922195518036
Energy: 1.1450575035005306
Energy: 1.117392219551897
Energy: 1.1450575035006245
Energy: 1.117392219551897
Energy: 1.1187395506811004
Energy: 1.4246477283391776
Energy: 1.118739550681007
Energy: 1.4246477283391776
Energy: 1.118739550681007
Energy: 1.4246477283390837
Energy: 1.1187395506809232
Energy: 1.1811995261097679
Energy: 1.164667575837239
Energy: 1.1811995261098618
Energy: 1.1646675758373328
Energy: 1.1811995261096742
Energy: 1.1646675758370615
Energy: 1.1811995261097679
Energy: 1.1729300474631268
Energy: 1.2172588952951633
Energy: 1.172930047462939
Energy: 1.217258895295622
Energy: 1.172930047463033
Energy: 1.2172588952951633
Energy: 1.172930047462939
Energy: 1.1976204560619785
Energy: 1.1459906096810193
Energy: 1.1976204560618011
Energy: 1.1459906096808317
Energy: 1.1976204560618953
Energy: 1.1459906096809256
Energy: 1.1976204560618011
Energy: 1.2156818452062113
Energy: 1.4244625299240457
Energy: 1.2156818452062113
Energy: 1.4244625299242228
Energy: 1.2156818452062113
Energy: 1.4244625299242228
Energy: 1.2156818452061176
Energy: 1.1199942648437269
Energy: 1.1520154811785115
Energy: 1.1199942648437269
Energy: 1.1520154811783343
Energy: 1.1199942648439982
Energy: 1.1520154811785115
Energy: 1.1199942648437269
Energy: 1.0831701212820537
Energy: 1.1160683611554414
Energy: 1.0831701212820537
Energy: 1.1160683611554414
Energy: 1.0831701212820537
Energy: 1.1160683611554414
Energy: 1.0831701212820537
Energy: 1.1267039363392073
Energy: 1.1523366345463786
Energy: 1.1267039363394784
Energy: 1.1523366345463786
Energy: 1.1267039363393012
Energy: 1.1523366345463786
Energy: 1.1267039363394784
Energy: 1.025041314439969
Energy: 1.283509901049776
Energy: 1.025041314439969
Energy: 1.2835099010494944
Energy: 1.025041314439969
Energy: 1.283509901049776
Energy: 1.0250413144400632
Energy: 1.1138069336343914
Energy: 1.1335944702466887
Energy: 1.1138069336344856
Energy: 1.1335944702468765
Energy: 1.1138069336344856
Energy: 1.1335944702466054
Energy: 1.1138069336342975
Energy: 1.1369220016969177
Energy: 1.1468993920845136
Energy: 1.1369220016970116
Energy: 1.1468993920845136
Energy: 1.1369220016969177
Energy: 1.1468993920846078
Energy: 1.1369220016970116
Energy: 1.1629718081354936
Energy: 1.1850740952466141
Energy: 1.1629718081354936
Energy: 1.18507409524652
Energy: 1.1629718081355875
Energy: 1.1850740952466141
Energy: 1.1629718081354

minimum gb energy = 1.0193070658491237 eV
minimum distance =  2.32435377889306 Angstroms
sigma value = 113


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

Energy: 1.0116371798074446
Energy: 1.0621432593202824
Energy: 1.0116371798069321
Energy: 1.0621432593197702
Energy: 1.0116371798079566
Energy: 1.0621432593202824
Energy: 1.0116371798069321
Energy: 1.0359418142302979
Energy: 1.0066727758652867
Energy: 1.0359418142297856
Energy: 1.006672775865799
Energy: 1.0359418142297856
Energy: 1.0066727758652867
Energy: 1.0359418142297856
Energy: 1.0427645328838984
Energy: 1.0099056751192315
Energy: 1.0427645328838984
Energy: 1.009905675118719
Energy: 1.0427645328833863
Energy: 1.0099056751192315
Energy: 1.0427645328838984
Energy: 0.9710255903047276
Energy: 0.966685826968996
Energy: 0.971025590305752
Energy: 0.9666858269684837
Energy: 0.9710255903047276
Energy: 0.966685826968996
Energy: 0.9710255903052396
Energy: 0.9741958214009238
Energy: 1.012411304396188
Energy: 0.9741958214009238
Energy: 1.012411304396188
Energy: 0.974195821401436
Energy: 1.0124113043956757
Energy: 0.9741958214004116
Energy: 0.9921891697869258
Energy: 0.9758928860651284
Energy: 0.9921891697874381
Energy: 0.9758928860656406
Energy: 0.9921891697869258
Energy: 0.9758928860651284
Energy: 0.9921891697874381
Energy: 0.9852142419387215
Energy: 1.003574022149936
Energy: 0.9852142419387215
Energy: 1.003574022149936
Energy: 0.9852142419387215
Energy: 1.003574022149936
Energy: 0.9852142419387215
Energy: 0.9631390149530223
Energy: 0.9693082729642777
Energy: 0.9631390149525103
Energy: 0.9693082729642777
Energy: 0.9631390149530223
Energy: 0.9693082729642777
Energy: 0.9631390149525103
Energy: 0.9755719192761904
Energy: 1.0200366270366765
Energy: 0.9755719192767024
Energy: 1.0200366270361643
Energy: 0.9755719192761904
Energy: 1.0200366270366765
Energy: 0.9755719192767024
Energy: 0.968715371954046
Energy: 0.9684635444592364
Energy: 0.968715371954046
Energy: 0.9684635444587242
Energy: 0.968715371954046
Energy: 0.9684635444592364
Energy: 0.968715371954046
Energy: 0.968538608621272
Energy: 0.9791927408395779
Energy: 0.9685386086207599
Energy: 0.9791927408400901
Energy: 0.968538608621272
Energy: 0.9791927408395779
Energy: 0.9685386086207599
Energy: 0.9494355364598478
Energy: 0.9972327747741481
Energy: 0.94943553646036
Energy: 0.9972327747741481
Energy: 0.9494355364598478
Energy: 0.9972327747741481
Energy: 0.94943553646036
Energy: 0.8966613627188186
Energy: 1.074079750164987
Energy: 0.8966613627188186
Energy: 1.074079750164987
Energy: 0.8966613627193306
Energy: 1.074079750164987
Energy: 0.8966613627188186
Energy: 1.0260757937934382
Energy: 0.9679585914105491
Energy: 1.026075793792926
Energy: 0.9679585914105491
Energy: 1.0260757937934382
Energy: 0.9679585914100369
Energy: 1.026075793792926
Energy: 1.0211258067571922
Energy: 0.9225901769711187
Energy: 1.0211258067582167
Energy: 0.9225901769716307
Energy: 1.0211258067571922
Energy: 0.9225901769716307
Energy: 1.0211258067582167
Energy: 0.9419103108735936
Energy: 1.139105818360457
Energy: 0.9419103108741057
Energy: 1.1391058183594327
Energy: 0.9419103108735936
Energy: 1.1391058183599447
Energy: 0.9419103108735936
Energy: 0.9139219334061024
Energy: 0.9880768852103206
Energy: 0.9139219334061024
Energy: 0.9880768852103206
Energy: 0.9139219334055904
Energy: 0.9880768852108329
Energy: 0.9139219334061024
Energy: 0.9583625290529088
Energy: 0.9840602860622956
Energy: 0.9583625290534208
Energy: 0.9840602860622956
Energy: 0.9583625290534208
Energy: 0.9840602860622956
Energy: 0.9583625290534208
Energy: 0.9538614016148306
Energy: 0.913796571899576
Energy: 0.9538614016148306
Energy: 0.913796571900088
Energy: 0.9538614016153428
Energy: 0.913796571899576
Energy: 0.9538614016148306
Energy: 0.99632925901422
Energy: 1.0988091042930281
Energy: 0.9963292590147322
Energy: 1.0988091042925159
Energy: 0.99632925901422
Energy: 1.0988091042930281
Energy: 0.99632925901422
Energy: 1.0297738333515638
Energy: 0.9651355348740304
Energy: 1.0297738333505395
Energy: 0.9651355348730061
Energy: 1.0297738333515638
Energy: 0.9651355348735184
Energy: 1.0297738333505395
Energy: 0.97805564152792
Energy: 0.9954286181587046
Energy: 0.9780556415289444
Energy: 0.9954286181581926
Energy: 0.9780556415284322
Energy: 0.9954286181587046
Energy: 0.9780556415294566
Energy: 0.9598506061931489
Energy: 0.94511280987748
Energy: 0.9598506061926368
Energy: 0.94511280987748
Energy: 0.9598506061931489
Energy: 0.94511280987748
Energy: 0.9598506061926368
Energy: 0.9646291919650803
Energy: 1.140529848048891
Energy: 0.9646291919645681
Energy: 1.140529848049403
Energy: 0.9646291919650803
Energy: 1.140529848048891
Energy: 0.9646291919650803
Energy: 1.0254301991260013
Energy: 0.9653815016227217
Energy: 1.0254301991234405
Energy: 0.9653815016227217
Energy: 1.0254301991244648
Energy: 0.9653815016227217
Energy: 1.0254301991239525
Energy: 1.0326962279856462
Energy: 0.9965344645961218
Energy: 1.032696227985134
Energy: 0.9965344645956098
Energy: 1.032696227985134
Energy: 0.996534464596634
Energy: 1.0326962279856462
Energy: 1.0285302777171241
Energy: 1.0880144377999619
Energy: 1.0285302777161
Energy: 1.088014437800474
Energy: 1.0285302777171241
Energy: 1.088014437800474
Energy: 1.0285302777166119
Energy: 0.9947300738164151
Energy: 1.1156746131923025
Energy: 0.9947300738164151
Energy: 1.1156746131938389
Energy: 0.9947300738164151
Energy: 1.1156746131872042
Energy: 0.9947300738164151
Energy: 1.081369969074487
Energy: 0.994990586733901
Energy: 1.0813699690739746
Energy: 0.994990586734413
Energy: 1.081369969074487
Energy: 0.994990586733901
Energy: 1.0813699690739746
Energy: 1.0239520173748025
Energy: 0.9963746888623104
Energy: 1.023952017375315
Energy: 0.9963746888617981
Energy: 1.0239520173748025
Energy: 0.9963746888623104
Energy: 1.023952017375315
Energy: 1.0053827037269822
Energy: 1.0790879873153931
Energy: 1.0053827037274945
Energy: 1.0790879873153931
Energy: 1.0053827037264702
Energy: 1.0790879873153931
Energy: 1.0053827037280065
Energy: 0.9648797234315876
Energy: 1.0720764766146216
Energy: 0.9648797234305632
Energy: 1.0720764766151336
Energy: 0.9648797234315876
Energy: 1.0720764766146216
Energy: 0.9648797234310754
Energy: 1.0224056021712429
Energy: 0.9792371809833682
Energy: 1.0224056021712429
Energy: 0.979237180982856
Energy: 1.0224056021707308
Energy: 0.979237180982856
Energy: 1.0224056021712429
Energy: 0.972544543855873
Energy: 0.999924159773568
Energy: 0.9725445438563849
Energy: 0.9999241597740801
Energy: 0.972544543855873
Energy: 0.999924159773568
Energy: 0.9725445438563849
Energy: 0.9597595945943103
Energy: 1.0399335232655982
Energy: 0.9597595945948224
Energy: 1.0399335232655982
Energy: 0.9597595945943103
Energy: 1.0399335232655982
Energy: 0.9597595945943103
Energy: 0.9511952753693709
Energy: 1.038246973841531
Energy: 0.951195275370395
Energy: 1.0382469738420435
Energy: 0.9511952753693709
Energy: 1.0382469738420435
Energy: 0.951195275370395
Energy: 1.0462673632674306
Energy: 0.9691815940723658
Energy: 1.0462673632669184
Energy: 0.9691815940723658
Energy: 1.0462673632669184
Energy: 0.9691815940718538
Energy: 1.0462673632674306
Energy: 0.9555329588923566
Energy: 0.9423307578863153
Energy: 0.9555329588928687
Energy: 0.942330757885291
Energy: 0.9555329588928687
Energy: 0.942330757885803
Energy: 0.9555329588928687
Energy: 0.9420786415272241
Energy: 0.9760332298276637
Energy: 0.9420786415261999
Energy: 0.9760332298271517
Energy: 0.9420786415272241
Energy: 0.9760332298276637
Energy: 0.9420786415261999
Energy: 0.892954506687037
Energy: 1.070802395650525
Energy: 0.8929545066865249
Energy: 1.070802395650525
Energy: 0.892954506687037
Energy: 1.070802395650013
Energy: 0.892954506687037
Energy: 0.9565941745315885
Energy: 0.9683036446617559
Energy: 0.9565941745315885
Energy: 0.9683036446627803
Energy: 0.9565941745315885
Energy: 0.9683036446617559
Energy: 0.9565941745315885
Energy: 0.9634060689109795
Energy: 0.9243768879130256
Energy: 0.9634060689109795
Energy: 0.9243768879125135
Energy: 0.9634060689109795
Energy: 0.9243768879130256
Energy: 0.9634060689109795
Energy: 0.9338707248511138
Energy: 1.144134691659358
Energy: 0.9338707248506016
Energy: 1.14413469165987
Energy: 0.9338707248511138
Energy: 1.14413469165987
Energy: 0.9338707248506016
Energy: 0.9139473190716405
Energy: 0.9578115566650852
Energy: 0.9139473190711283
Energy: 0.9578115566650852
Energy: 0.9139473190711283
Energy: 0.9578115566650852
Energy: 0.9139473190711283
Energy: 0.9558834678323703
Energy: 0.9875397320111262
Energy: 0.9558834678333948
Energy: 0.9875397320111262
Energy: 0.9558834678328827
Energy: 0.9875397320111262
Energy: 0.9558834678333948

minimum gb energy = 0.8929545066865249 eV
minimum distance =  2.31584877969041 Angstroms
sigma value = 365


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

Energy: 0.36840165508121503
Energy: 0.34533462889589717
Energy: 0.36840165508155615
Energy: 0.34533462889577904
Energy: 0.3684016550813331
Energy: 0.34533462889577904
Energy: 0.36840165508155615
Energy: 2.211885525259311
Energy: 1.1547181235402795
Energy: 2.6751191488110964
Energy: 1.1547181235402795
Energy: 2.4510199866405804
Energy: 1.1547181235402795
Energy: 2.202170924065024
Energy: 0.36840165508145123
Energy: 0.34533462889577904
Energy: 0.36840165508121503
Energy: 0.34533462889589717
Energy: 0.3684016550813331
Energy: 0.34533462889577904
Energy: 0.36840165508121503
Energy: 2.451019982218024
Energy: 1.1547181235402795
Energy: 2.202170924065142
Energy: 1.1547181235402795
Energy: 2.675117797084379
Energy: 1.1547181235402795
Energy: 2.099563280489401
Energy: 0.36840165508145123
Energy: 0.34533462889589717
Energy: 0.36840165508121503
Energy: 0.34533462889589717
Energy: 0.36840165508145123
Energy: 0.34533462889589717
Energy: 0.36840165508121503
Energy: 2.2118855252584972
Energy: 1.1547181235402795
Energy: 2.2021709240639873
Energy: 1.1547181235402795
Energy: 2.2021709240637644
Energy: 1.1547181235401613
Energy: 2.2118855252579204
Energy: 0.36840165508121503
Energy: 0.34533462889577904
Energy: 0.36840165508145123
Energy: 0.34533462889577904
Energy: 0.36840165508121503
Energy: 0.34533462889577904
Energy: 0.36840165508155615
Energy: 2.0995324947857275
Energy: 1.1547181235402795
Energy: 2.0995319751106845
Energy: 1.1547181235402795
Energy: 2.0995321556929136
Energy: 1.1547181235402795
Energy: 2.0995321256601445
Energy: 0.36840165508145123
Energy: 0.34533462889577904
Energy: 0.3684016550813331
Energy: 0.34533462889577904
Energy: 0.36840165508145123
Energy: 0.34533462889577904
Energy: 0.3684016550813331
Energy: 2.211885525259416
Energy: 1.1547181235401613
Energy: 2.211885525257802
Energy: 1.1547181235401613
Energy: 2.211885525259075
Energy: 1.1547181235401613
Energy: 2.211885525257802
Energy: 0.36840165508145123
Energy: 0.34533462889589717
Energy: 0.36840165508121503
Energy: 0.34533462889566097
Energy: 0.36840165508145123
Energy: 0.34533462889589717
Energy: 0.3684016550810969
Energy: 2.099531700478516
Energy: 1.1547181235402795
Energy: 2.0995321061995513
Energy: 1.1547181235402795
Energy: 2.099532678945746
Energy: 1.1547181235402795
Energy: 2.0995344738451602
Energy: 0.36840165508121503
Energy: 0.34533462889577904
Energy: 0.36840165508155615
Energy: 0.34533462889577904
Energy: 0.3684016550813331
Energy: 0.34533462889577904
Energy: 0.36840165508155615
Energy: 2.099532720375136
Energy: 1.1547181235402795
Energy: 2.099532923682516
Energy: 1.1547181235402795
Energy: 2.099527090666021
Energy: 1.1547181235401613
Energy: 2.099529626696443
Energy: 0.3684016550813331
Energy: 0.34533462889577904
Energy: 0.36840165508121503
Energy: 0.34533462889589717
Energy: 0.3684016550813331
Energy: 0.34533462889577904
Energy: 0.36840165508121503
Energy: 2.0995318370586182
Energy: 1.1547181235401613
Energy: 2.0995328139022362
Energy: 1.1547181235401613
Energy: 2.0995304714592775
Energy: 1.1547181235402795
Energy: 2.099531874442178
Energy: 0.3684016550813331
Energy: 0.34533462889589717
Energy: 0.36840165508121503
Energy: 0.34533462889589717
Energy: 0.36840165508145123
Energy: 0.34533462889589717
Energy: 0.36840165508121503
Energy: 2.0995189207581886
Energy: 1.1547181235402795
Energy: 2.099520029969865
Energy: 1.1547181235402795
Energy: 2.099519053340014
Energy: 1.1547181235402795
Energy: 2.0995204203424027
Energy: 0.36840165508121503
Energy: 0.34533462889577904
Energy: 0.36840165508145123
Energy: 0.34533462889589717
Energy: 0.36840165508121503
Energy: 0.34533462889577904
Energy: 0.36840165508155615
Energy: 2.099519263923837
Energy: 1.1547181235402795
Energy: 2.099519086605706
Energy: 1.1547181235402795
Energy: 2.0995191214288886
Energy: 1.1547181235402795
Energy: 2.0995189096873963

minimum gb energy = 0.34533462889566097 eV
minimum distance =  2.31230687652792 Angstroms
sigma value = 23