Model name: model_name=EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.498696342110634
cohesive_energy=4.116955210479424
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01922126479856077
Energy: 0.3785394825990445
Energy: 0.3785394825990445
Energy: 0.01922126479856077
Energy: 0.3785394825990445
Energy: 0.3785394825990445
Energy: 0.01922126479856077
Energy: 0.37853948259750136
Energy: 0.3785394825990445
Energy: 0.01922126479856077
Energy: 0.3781393992552734
Energy: 0.024949135372606887
Energy: 0.3781733836593196
Energy: 0.3781393992552734
Energy: 0.024949135372606887
Energy: 0.3781733836577764
Energy: 0.3781393992552734
Energy: 0.024949135372606887
Energy: 0.3781733836593196
Energy: 0.3781393992552734
Energy: 1.1795565599649875
Energy: 0.020207640645876
Energy: 0.02020764064741921
Energy: 1.2239886943126552
Energy: 0.020207640645876
Energy: 0.02020764064741921
Energy: 1.003008101576911
Energy: 0.020207640645876
Energy: 0.02020764064741921
Energy: 1.6426085918055056
Energy: 0.3781393992552734
Energy: 0.3781733836593196
Energy: 0.024949135372606887
Energy: 0.3781393992552734
Energy: 0.3781733836608628
Energy: 0.024949135371063677
Energy: 0.3781393992552734
Energy: 0.3781733836577764
Energy: 0.024949135371063677
Energy: 0.3781393992552734
Energy: 0.019221264797017558
Energy: 0.3785394825990445
Energy: 0.3785394825990445
Energy: 0.019221264797017558
Energy: 0.3785394825990445
Energy: 0.3785394825990445
Energy: 0.01922126479856077
Energy: 0.37853948259750136
Energy: 0.3785394825990445
Energy: 0.01922126479856077
Energy: 0.3781393992552734
Energy: 0.024949135371063677
Energy: 0.3781733836608628
Energy: 0.3781393992537302
Energy: 0.024949135371063677
Energy: 0.3781733836593196
Energy: 0.3781393992552734
Energy: 0.024949135371063677
Energy: 0.3781733836608628
Energy: 0.3781393992552734
Energy: 1.411154689810024
Energy: 0.02020764064741921
Energy: 0.32006877669798195
Energy: 1.411154689810024
Energy: 0.02020764064741921
Energy: 0.02020764064741921
Energy: 1.6624089705625007
Energy: 0.02020764064741921
Energy: 0.02020764064741921
Energy: 0.8174548718837166

minimum gb energy = 0.019221264797017558 eV
minimum distance =  2.26128763377894 Angstroms
sigma value = 3


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

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Energy: 1.323759572340158
Energy: 1.2968635574111471
Energy: 1.2408577624770107
Energy: 1.3237595723451063
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Energy: 1.2087481659362256
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Energy: 1.323759572340158
Energy: 1.2968635574100473
Energy: 1.2414167780216359
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Energy: 1.296863557412659
Energy: 1.2414672352416598
Energy: 1.323759572343182
Energy: 1.296863557411903
Energy: 1.241416778020536
Energy: 1.0986107992539913
Energy: 1.2092855465004446
Energy: 1.3107264646692862
Energy: 1.098610796577007
Energy: 1.2092855465038121
Energy: 1.3107264646681176
Energy: 1.0986107968067673
Energy: 1.209285546500032
Energy: 1.3107264646617258
Energy: 1.0986107971860812
Energy: 1.305519971673601
Energy: 1.5737943243071215
Energy: 1.4206146797472143
Energy: 1.3021677526613409
Energy: 1.5737943243078776
Energy: 1.420614680709623
Energy: 1.3055199716770376
Energy: 1.5737943243056094
Energy: 1.420614679089068
Energy: 1.3021677526571485
Energy: 1.3209980012806288
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Energy: 0.966688936595593
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Energy: 1.377776501013775
Energy: 0.966688936591057
Energy: 1.3209980012791172
Energy: 1.3777765010141874
Energy: 0.9666889365891326
Energy: 1.320998001282897

minimum gb energy = 0.9172480474442525 eV
minimum distance =  2.28269843650537 Angstroms
sigma value = 75


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

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Energy: 1.0107021911337746
Energy: 0.9977150482184444
Energy: 1.4141883707438239
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minimum gb energy = 0.9974475368730187 eV
minimum distance =  2.12179781948722 Angstroms
sigma value = 105


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

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Energy: 1.2244004001981847
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Energy: 1.2665951972640062
Energy: 1.2291841164872868
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Energy: 1.2291841164872868
Energy: 1.307254747930263
Energy: 1.3033092631899004
Energy: 1.2291841164872868
Energy: 1.222685007643943
Energy: 1.1517940942784017
Energy: 1.2398395806989764
Energy: 1.2226850076418623
Energy: 1.1526962452736
Energy: 1.2398395807010572
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Energy: 1.1517940942784017
Energy: 1.2398395807010572
Energy: 1.2226850076418623
Energy: 1.3377333483216727
Energy: 1.2059696250493992
Energy: 1.3392195932578215
Energy: 1.3377333483216727
Energy: 1.20613417090533
Energy: 1.3392195932578215
Energy: 1.3377333483237535
Energy: 1.2059696250535608
Energy: 1.3392195932557787
Energy: 1.3377333483216727
Energy: 1.259662077594012
Energy: 1.2614452167180754
Energy: 1.2067802732847728
Energy: 1.2596620775960925
Energy: 1.2614452167180754
Energy: 1.2067802732826918
Energy: 1.2596620775960925
Energy: 1.2614452167180754
Energy: 1.206780273280611
Energy: 1.259662077594012
Energy: 1.250878555172333
Energy: 1.3861728455817297
Energy: 1.2088125698570775
Energy: 1.250878555174414
Energy: 1.3915775641381345
Energy: 1.2088125698570775
Energy: 1.250878555172333
Energy: 1.3861728455838105
Energy: 1.2088125698549967
Energy: 1.250878555172333
Energy: 1.3081082148783725
Energy: 1.1758659151027024
Energy: 1.3792605117948775
Energy: 1.3081082148742107
Energy: 1.2107970634297593
Energy: 1.3792605117948775
Energy: 1.3081082148762917
Energy: 1.1758659150860555
Energy: 1.3792605117948775
Energy: 1.3081082148783725
Energy: 1.3133678678916831
Energy: 1.158131365586262
Energy: 1.3332884817046635
Energy: 1.313367867893764
Energy: 1.1581362479254809
Energy: 1.3332884817046635
Energy: 1.313367867893764
Energy: 1.1581313655841812
Energy: 1.3332884817046635
Energy: 1.3133678678916831

minimum gb energy = 1.1108555991712945 eV
minimum distance =  2.21213145875083 Angstroms
sigma value = 165


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

Energy: 1.1783412992915276
Energy: 1.3115928209643493
Energy: 1.3197522863285496
Energy: 1.1029762635912046
Energy: 1.3115928209650634
Energy: 1.3197522863278353
Energy: 1.1783412992915276
Energy: 1.311592820963635
Energy: 1.3197522863271207
Energy: 1.1029762635912046
Energy: 1.3086843434096098
Energy: 1.1218596619306187
Energy: 1.3460181688970458
Energy: 1.3086843434074666
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Energy: 1.1218596619327617
Energy: 1.3460181688934743
Energy: 1.3086843434088955
Energy: 1.3174080208295051
Energy: 1.1987769451851618
Energy: 1.1497759031325292
Energy: 1.3174080208273617
Energy: 1.1987769451880195
Energy: 1.151118823042884
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Energy: 1.198776945185876
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Energy: 1.2809659554259991
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Energy: 1.4459040501092304
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Energy: 1.4459040501085163
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Energy: 1.195154809267416
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Energy: 1.435108420225271
Energy: 1.1252532154152497
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Energy: 1.1951548092659872
Energy: 1.3826310138519353
Energy: 1.4351084202266673
Energy: 1.1252532154131067
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Energy: 1.0831955006790928
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Energy: 1.083195500679807
Energy: 1.327495620789908
Energy: 1.248758429308209
Energy: 1.083195500679807
Energy: 1.3674424438064783
Energy: 1.2008361972470616
Energy: 1.3673207048649025
Energy: 1.1268720323418897
Energy: 1.364013641170089
Energy: 1.3673207048670457
Energy: 1.126872032342604
Energy: 1.3640136411708033
Energy: 1.3673207048670457
Energy: 1.1268720323411754
Energy: 1.3640136411722321
Energy: 1.3673207048663312
Energy: 1.3775311662976284
Energy: 1.1458530905866768
Energy: 1.2922022374999766
Energy: 1.377531166299739
Energy: 1.14585309058882
Energy: 1.2922022374985478
Energy: 1.377531166296914
Energy: 1.1458530905866768
Energy: 1.2922022374971194
Energy: 1.3775311662976284
Energy: 1.2411810977628395
Energy: 1.2988590098800754
Energy: 1.120690939838463
Energy: 1.241181097763554
Energy: 1.2988590098800754
Energy: 1.1206909398370344
Energy: 1.241181097761411
Energy: 1.2988590098800754
Energy: 1.1206909398377487
Energy: 1.2411810977606965
Energy: 1.1029762635883473
Energy: 1.3115928209650634
Energy: 1.319752286329264
Energy: 1.102976263589776
Energy: 1.3115928209650634
Energy: 1.3197522863278353
Energy: 1.1029762635883473
Energy: 1.311592820963635
Energy: 1.3197522863271207
Energy: 1.1029762635904903

minimum gb energy = 1.081255915777507 eV
minimum distance =  2.29078412209996 Angstroms
sigma value = 41


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

Energy: 1.3219950771406708
Energy: 1.1895482488996607
Energy: 1.1505535932832371
Energy: 1.2775393715185228
Energy: 1.1895482488996607
Energy: 1.1505535932832371
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Energy: 0.9875666845503092
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Energy: 0.9910102467127018
Energy: 1.069385633057835
Energy: 1.0641332669565993
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Energy: 1.0206969628965215
Energy: 1.0236678201774603
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Energy: 1.0206969628937497
Energy: 1.023667820180232
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Energy: 1.0802794167186465
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Energy: 1.0162146773163523
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Energy: 1.0153465495787333
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Energy: 1.0926077804776775
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Energy: 1.0233187744117145
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Energy: 1.0233187744089427
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Energy: 0.9727973144613559
Energy: 1.0134996570338215
Energy: 1.0149519735411205
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Energy: 1.0246197697643868
Energy: 1.0108585745676695
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Energy: 1.3041710195082343
Energy: 1.1279010302690475
Energy: 1.062710386215508
Energy: 1.266333311092003
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Energy: 1.0627103862127363
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Energy: 1.0627103862182798
Energy: 1.2663333110892314
Energy: 1.0749751367812113
Energy: 0.9893184049264777
Energy: 1.1677186374783424
Energy: 1.0749751367784395
Energy: 0.9893184049237059
Energy: 1.167718637481114
Energy: 1.074975136775668
Energy: 0.9893184049320212
Energy: 1.1677186374755706
Energy: 1.0749751367812113
Energy: 1.0042432982889133
Energy: 1.0138825829769536
Energy: 1.0255691813874044
Energy: 1.004243298291685
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Energy: 1.026575965178687
Energy: 1.0042432982972282
Energy: 1.0138825829769536
Energy: 1.0255691813901762
Energy: 1.0042432982944567
Energy: 1.1526161867494087
Energy: 1.1570260852860912
Energy: 1.018817544800046
Energy: 1.1526161867494087
Energy: 1.1570260852833196
Energy: 1.0191135784854461
Energy: 1.1526161867438653
Energy: 1.1570260852860912
Energy: 1.0188175447972743
Energy: 1.1526161867494087
Energy: 1.0426230978499762
Energy: 1.0707890756195966
Energy: 1.0921435615505468
Energy: 1.0426230978527478
Energy: 1.0707890756168248
Energy: 1.092143561547775
Energy: 1.0426230978499762
Energy: 1.0707890756195966
Energy: 1.0921435615450032
Energy: 1.0426230978555193
Energy: 1.0398304382935617
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Energy: 1.0398304382935617
Energy: 1.0346257269996286
Energy: 1.018781293268077
Energy: 1.0398304382935617
Energy: 1.0346257269996286
Energy: 1.018781293268077
Energy: 1.0398304382991048
Energy: 1.0661471102329652
Energy: 1.1392985874686672
Energy: 0.9990612077862154
Energy: 1.0661471102301934
Energy: 1.139298587471439
Energy: 0.9990612077862154
Energy: 1.0661471102329652
Energy: 1.1392985874686672
Energy: 0.9990612077889871
Energy: 1.0661471102301934
Energy: 1.1485887263014765
Energy: 0.9953471705201505
Energy: 1.0792140712997624
Energy: 1.1485887263014765
Energy: 0.9953471705229222
Energy: 1.0792140712969907
Energy: 1.1485887263014765
Energy: 0.9953471705256938
Energy: 1.0792140712942189
Energy: 1.148588726298705
Energy: 1.0878231080075513
Energy: 1.1517239267151436
Energy: 1.275395626076743
Energy: 1.0878231080047798
Energy: 1.1517239267123718
Energy: 1.2753956260739712
Energy: 1.0878231080047798
Energy: 1.1517239267123718
Energy: 1.2753956260795145
Energy: 1.0878231080075513
Energy: 0.9909782962293994
Energy: 1.190172487223416
Energy: 1.0700961350165283
Energy: 0.9909782962293994
Energy: 1.1877253130128111
Energy: 1.0700961350193001
Energy: 0.9909782962321709
Energy: 1.1901724872261878
Energy: 1.0700961350220717
Energy: 0.9909782962293994
Energy: 0.9920712619069072
Energy: 1.0289505906360197
Energy: 1.0209547711207134
Energy: 0.9920712619096789
Energy: 1.0290636168642486
Energy: 1.0208483334177083
Energy: 0.9920712619096789
Energy: 1.0289505906443346
Energy: 1.0209547711207134
Energy: 0.9920712619096789
Energy: 1.0041237426404277
Energy: 1.0302702576045941
Energy: 1.0208237845333168
Energy: 1.0041237426459713
Energy: 1.0197944219364512
Energy: 1.020823784530545
Energy: 1.0041237426459713
Energy: 1.030270257610137
Energy: 1.0208237845360886
Energy: 1.0041237426431995
Energy: 1.2319997617673155
Energy: 1.0153417195219427
Energy: 1.0256039020132954
Energy: 1.2319997617673155
Energy: 1.0151861979646404
Energy: 1.0256039020132954
Energy: 1.2319997617617722
Energy: 1.0153417195219427
Energy: 1.0256039020132954
Energy: 1.231999761764544
Energy: 1.1210580884018593
Energy: 1.1541905054192243
Energy: 1.0118643039976043
Energy: 1.1210580884018593
Energy: 1.1541905054192243
Energy: 1.0118643039948325
Energy: 1.121058088404631
Energy: 1.154190505421996
Energy: 1.0118643039920607
Energy: 1.1210580884074028

minimum gb energy = 0.9727973144585841 eV
minimum distance =  2.25300273831646 Angstroms
sigma value = 185


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

Energy: 0.9114176921885839
Energy: 0.5887274205455907
Energy: 0.5898875533316639
Energy: 0.7619049368022087
Energy: 0.5887274205436166
Energy: 0.5898875533306469
Energy: 0.9114176921901991
Energy: 0.5887274205419417
Energy: 0.589887553334296
Energy: 0.7619049368022087
Energy: 0.8518949363379843
Energy: 0.5976016871251757
Energy: 0.7947474749072759
Energy: 0.7967962239637507
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Energy: 0.8518949363346943
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Energy: 0.7947474749042849
Energy: 0.7967962239630927
Energy: 0.7304982479864165
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Energy: 0.6888701422225282
Energy: 0.6924749301871733
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Energy: 0.7304982557792572
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Energy: 0.688870142220255
Energy: 0.6924749307748519
Energy: 0.8352785108915446
Energy: 0.5916702824928554
Energy: 0.7656044769850072
Energy: 0.8352785108922026
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Energy: 0.5887925014308817
Energy: 0.690985066134181
Energy: 0.5974877630261057
Energy: 0.5887925014311808
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Energy: 0.5887925014285487
Energy: 0.6909850661292158
Energy: 0.5974877630267638
Energy: 0.7632092582753512
Energy: 0.8301189782349506
Energy: 0.7272624405675452
Energy: 0.7632092582757101
Energy: 0.7352705282459299
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Energy: 0.8301189782339934
Energy: 0.7272624405679041
Energy: 0.7632092582727191
Energy: 0.5977005809313343
Energy: 0.716090063802687
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Energy: 0.7600220814297362
Energy: 0.5716791428289494
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Energy: 0.7070597463932803
Energy: 0.6722575213217895
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Energy: 0.5034034542720972
Energy: 0.5102922920998207
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Energy: 0.5102922921014358
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Energy: 0.5034034587394463
Energy: 0.6732512329307994
Energy: 0.8219825490169778
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Energy: 0.8219825490173367
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Energy: 0.6732512329305003
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Energy: 0.5896438700470291
Energy: 0.6732512329321155
Energy: 0.5132382729733747
Energy: 0.588727420547206
Energy: 0.5898875533319629
Energy: 0.5132382729733747
Energy: 0.5887274205436166
Energy: 0.5898875533313048
Energy: 0.5132382729733747
Energy: 0.5887274205423007
Energy: 0.589887553334296
Energy: 0.5132382729740327
Energy: 0.7034094856594905
Energy: 0.5976016871245177
Energy: 0.7812203389165048
Energy: 0.7034094856604476
Energy: 0.5976016871228429
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Energy: 0.78122033891812
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Energy: 0.5040475049887766
Energy: 0.5907497571929452
Energy: 0.5105085917125094
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Energy: 0.5040475081824236
Energy: 0.5907497571952184
Energy: 0.5105085917108941
Energy: 0.5040475310702964
Energy: 0.8352785108919034
Energy: 0.5916702824921972
Energy: 0.6633754225893366
Energy: 0.8352785108941766
Energy: 0.5916702824928554
Energy: 0.6633754225867045
Energy: 0.8352785108908864
Energy: 0.5916702824935133
Energy: 0.6633754225860465
Energy: 0.8352785108915446
Energy: 0.5974877630234736
Energy: 0.5887925014308817
Energy: 0.571822320564262
Energy: 0.5974877630264048
Energy: 0.5887925014315397
Energy: 0.5718030201305468
Energy: 0.5974877630264048
Energy: 0.5887925014278906
Energy: 0.57182232056821
Energy: 0.5974877630261057
Energy: 0.7632092582746931
Energy: 0.7420494012195681
Energy: 0.712878987587787
Energy: 0.7632092582763681
Energy: 0.7725689201330596
Energy: 0.6743537665457219
Energy: 0.763209258273078
Energy: 0.7420494012208841
Energy: 0.7128789875891033
Energy: 0.7632092582733772
Energy: 0.5977005809300183
Energy: 0.7497580499574661
Energy: 0.7748670915172269
Energy: 0.5977005809280441
Energy: 0.6664066429614933
Energy: 0.7748670915126206
Energy: 0.5977005809303173
Energy: 0.7497580499558508
Energy: 0.7748670915165689
Energy: 0.5977005809309753
Energy: 0.7600220814307531
Energy: 0.730196597711841
Energy: 0.5792248409623413
Energy: 0.760022081428121
Energy: 0.690648134890723
Energy: 0.5792248409626404
Energy: 0.7600220814294372
Energy: 0.730196597711183
Energy: 0.5792248409577351
Energy: 0.7600220814320692
Energy: 0.60615635835015
Energy: 0.8008020344744733
Energy: 0.5895174101079379
Energy: 0.678008904177639
Energy: 0.7212597703012541
Energy: 0.589517410109254
Energy: 0.6061563571550524
Energy: 0.8008020344741145
Energy: 0.5895174101072799
Energy: 0.6780089040566217
Energy: 0.7225474713368193
Energy: 0.720941913246748
Energy: 0.6437323672360598
Energy: 0.6836362761168268
Energy: 0.6887566200362705
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Energy: 0.722547473619816
Energy: 0.7209419132441158
Energy: 0.6437323672340858
Energy: 0.6836362765690114
Energy: 0.8571665183308355
Energy: 0.8219825490160205
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Energy: 0.8571665183321515
Energy: 0.8219825490114145
Energy: 0.5896438700476873
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Energy: 0.9114176921895412
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Energy: 0.911417692191216
Energy: 0.5887274205416426
Energy: 0.589887553333279
Energy: 0.7619049368008927
Energy: 0.8518949363224908
Energy: 0.5976016871254749
Energy: 0.7947474749075749
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Energy: 0.6848067678133836
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Energy: 0.5976016871248169
Energy: 0.794747474906618
Energy: 0.7967962239634515
Energy: 0.7304982552773618
Energy: 0.5907497571925863
Energy: 0.6888701422225282
Energy: 0.6924749331756354
Energy: 0.5907497571929452
Energy: 0.7208452252196695
Energy: 0.7304982520943031
Energy: 0.5907497571949193
Energy: 0.688870142220255
Energy: 0.6924749335228945
Energy: 0.8352785108915446
Energy: 0.5916702824935133
Energy: 0.7656044769856652
Energy: 0.8352785108925614
Energy: 0.5916702824935133
Energy: 0.8031517967588334
Energy: 0.8352785108905874
Energy: 0.5916702824928554
Energy: 0.7656044769869813
Energy: 0.8352785108908864
Energy: 0.5974877630241316
Energy: 0.5887925014315397
Energy: 0.690985066135138
Energy: 0.5974877630257469
Energy: 0.5887925014308817
Energy: 0.7305417008748244
Energy: 0.5974877630267638
Energy: 0.5887925014289076
Energy: 0.6909850661285578
Energy: 0.597487763027721
Energy: 0.7632092582740351
Energy: 0.8301189782346515
Energy: 0.7272624405668872
Energy: 0.7632092582757101
Energy: 0.7352705282452718
Energy: 0.7674896314573075
Energy: 0.7632092582733772
Energy: 0.8301189782342925
Energy: 0.7272624405688612
Energy: 0.763209258273736
Energy: 0.5977005809313343
Energy: 0.716090063802388
Energy: 0.7748670915168678
Energy: 0.5977005809293602
Energy: 0.716090063801072
Energy: 0.7748670915132786
Energy: 0.5977005809300183
Energy: 0.7160900637984398
Energy: 0.7748670915148937
Energy: 0.5977005809303173
Energy: 0.7600220814294372
Energy: 0.5716791428292484
Energy: 0.5792248409626404
Energy: 0.7600220814268049
Energy: 0.5716791428331967
Energy: 0.5792248409616831
Energy: 0.7600220814287791
Energy: 0.5716791428315814
Energy: 0.5792248409583931
Energy: 0.7600220814317104
Energy: 0.7070597462551543
Energy: 0.6722575213234048
Energy: 0.5895174101082968
Energy: 0.707059746247258
Energy: 0.6722575213214307
Energy: 0.5895174101089549
Energy: 0.7070597462443268
Energy: 0.6722575213174826
Energy: 0.5895174101072799
Energy: 0.7070597462298502
Energy: 0.5034034963303462
Energy: 0.5102922920994617
Energy: 0.6437323672354017
Energy: 0.5034034974432502
Energy: 0.5102922920955135
Energy: 0.6437323672367179
Energy: 0.5034034972962108
Energy: 0.5102922921014358
Energy: 0.6437323672347438
Energy: 0.5034035083985114
Energy: 0.6732512329305003
Energy: 0.8219825490160205
Energy: 0.5896438700483453
Energy: 0.6732512329314575
Energy: 0.8219825490169778
Energy: 0.5896438700473882
Energy: 0.6732512329318164
Energy: 0.8219825490133885
Energy: 0.5896438700457132
Energy: 0.6732512329327734

minimum gb energy = 0.5034034542720972 eV
minimum distance =  2.30653488932415 Angstroms
sigma value = 33


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

Energy: 1.0088945486935097
Energy: 1.0504012080702372
Energy: 1.0483219132584434
Energy: 1.0088945486917036
Energy: 1.0504012080648188
Energy: 1.048321913263862
Energy: 1.0088945486935097
Energy: 1.0504012080702372
Energy: 1.0483219132566373
Energy: 1.0088945486917036
Energy: 1.0388130316862887
Energy: 0.9453210866012117
Energy: 1.0039533444553506
Energy: 1.0388130316844824
Energy: 0.9453210865994056
Energy: 1.0039533444553506
Energy: 1.0388130316862887
Energy: 0.9453210866012117
Energy: 1.0039533444571571
Energy: 1.0388130316844824
Energy: 1.0202008624775283
Energy: 0.9887116060520806
Energy: 1.0182979704035524
Energy: 1.0202008624576602
Energy: 0.9887116060538869
Energy: 1.0182979704053587
Energy: 1.017748740909419
Energy: 0.9887116060520806
Energy: 1.0182979704035524
Energy: 1.017748740907613
Energy: 1.1604664244032155
Energy: 0.9477624727822229
Energy: 1.0326797340248528
Energy: 1.1604664244068277
Energy: 0.9477624727822229
Energy: 1.0326797340284655
Energy: 1.1604664244032155
Energy: 0.9477624727858354
Energy: 1.0326797340248528
Energy: 1.1604664244068277
Energy: 1.037485621361347
Energy: 1.0226091839435087
Energy: 0.97194964574424
Energy: 1.0375014994394316
Energy: 1.0226091839398965
Energy: 0.9719496457460463
Energy: 1.0374840217818544
Energy: 1.0226091839453149
Energy: 0.9719496457460463
Energy: 1.0374888209807143
Energy: 0.9922763047572045
Energy: 1.041621560444619
Energy: 1.039340336607276
Energy: 0.9922763047572045
Energy: 1.041621560444619
Energy: 1.039340336607276
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Energy: 1.0416215604464252
Energy: 1.039340336607276
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Energy: 0.9424459858270078
Energy: 1.0455314945446255
Energy: 1.0570829728653068
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Energy: 1.0455314945446255
Energy: 1.0570829729754516
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Energy: 1.0455314945446255
Energy: 1.0570829729122677
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Energy: 1.0158313950576134
Energy: 0.9543793685426615
Energy: 0.9521126141942629
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Energy: 0.9543793685480799
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Energy: 1.0158313950558069
Energy: 0.9543793685462737
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Energy: 1.0260955186246152
Energy: 0.9305719535432309
Energy: 1.0668914788377513
Energy: 1.0260955186228091
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Energy: 1.0668914788359452
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Energy: 1.066891478834139
Energy: 1.0260955186246152
Energy: 1.0118647352676864
Energy: 0.9599411633212516
Energy: 1.0443600318119637
Energy: 1.0118647352731047
Energy: 0.9599411633212516
Energy: 1.044360031815576
Energy: 1.0118647352676864
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Energy: 1.0443600318119637
Energy: 1.0118647352731047
Energy: 1.013054417879742
Energy: 1.0699413840878487
Energy: 0.9839185401322236
Energy: 1.0130544178815484
Energy: 1.0699413840878487
Energy: 0.9839185401322236
Energy: 1.013054417879742
Energy: 1.0699413840878487
Energy: 0.9839185401322236
Energy: 1.0130544178815484
Energy: 0.9579208681041134
Energy: 0.9766884528509197
Energy: 1.0613706573440178
Energy: 0.9579208681059195
Energy: 0.9766884528491135
Energy: 1.0613706573385993
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Energy: 0.9766884528509197
Energy: 1.0613706573440178
Energy: 0.9579208681059195
Energy: 0.9542042472649419
Energy: 0.986728139161422
Energy: 0.9867778787498628
Energy: 0.9542042472667481
Energy: 0.9867281391596158
Energy: 0.9867778787480567
Energy: 0.9542042472649419
Energy: 0.986728139161422
Energy: 0.9867778787534751
Energy: 0.9542042472667481
Energy: 0.9593957119492205
Energy: 1.034228775482469
Energy: 1.0030818310891223
Energy: 0.9593957119510268
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Energy: 1.0030818310909284
Energy: 0.9593957119492205
Energy: 1.034228775482469
Energy: 1.0030818310909284
Energy: 0.9593957119510268
Energy: 1.0222260980816404
Energy: 0.9952905506082452
Energy: 1.0543976666753356
Energy: 1.0222260980852527
Energy: 0.9952905506100513
Energy: 1.0543976666753356
Energy: 1.0222260980816404
Energy: 0.9952905506082452
Energy: 1.0543976666753356
Energy: 1.0222260980870588
Energy: 1.0013563430975971
Energy: 1.047702953342568
Energy: 0.9616201040763734
Energy: 1.0013563430975971
Energy: 1.047702953342568
Energy: 0.9616201040781799
Energy: 1.0013563430975971
Energy: 1.047702953342568
Energy: 0.9616201040763734
Energy: 1.0013563430975971
Energy: 1.0467870659332281
Energy: 1.0609317221884191
Energy: 0.9322174601546029
Energy: 1.0467870659314218
Energy: 1.0609317221938377
Energy: 0.9322174601527967
Energy: 1.0467870659332281
Energy: 1.0609317221884191
Energy: 0.932217460156409
Energy: 1.0467870659314218
Energy: 1.011930427481646
Energy: 1.10402709775953
Energy: 0.9414007175154118
Energy: 1.0119304274834524
Energy: 1.10402709775953
Energy: 0.9414007175190242
Energy: 1.011930427481646
Energy: 1.10402709775953
Energy: 0.9414007175154118
Energy: 1.0119304274834524
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Energy: 1.0454003216571917
Energy: 1.053672612882935
Energy: 1.0180206523430961
Energy: 1.0454003216553855
Energy: 1.0536726128432317
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Energy: 1.0454003216571917
Energy: 1.0536726128757103
Energy: 1.0180206523430961
Energy: 1.017562631306878
Energy: 1.0601590304690212
Energy: 0.9869987653966746
Energy: 1.0175626313050719
Energy: 1.06015903047444
Energy: 0.9869987653966746
Energy: 1.017562631306878
Energy: 1.060159030467215
Energy: 0.9869987653966746
Energy: 1.0175626313050719
Energy: 1.0332600645730863
Energy: 1.0177943522135602
Energy: 0.9974112367201879
Energy: 1.0332600645730863
Energy: 1.017794352211754
Energy: 0.9974112367201879
Energy: 1.0332600645730863
Energy: 1.017794352211754
Energy: 0.9974112367201879
Energy: 1.0332600645730863
Energy: 0.9692163210102087
Energy: 1.0333443571126368
Energy: 1.0381806936312576
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Energy: 1.0381806936348699
Energy: 0.9692163210102087
Energy: 1.0333443571126368
Energy: 1.0381806936312576
Energy: 0.9692163210120149

minimum gb energy = 0.9294700434530732 eV
minimum distance =  2.19589133956025 Angstroms
sigma value = 219


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

Energy: 1.1891003625847902
Energy: 1.2196833551692818
Energy: 1.2197768714698463
Energy: 1.1891003625871812
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Energy: 1.2313959228862792
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Energy: 1.252877485526461
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Energy: 1.2526554214641012
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Energy: 1.2526554214629055
Energy: 1.1903101472768636
Energy: 1.2932668509551133
Energy: 1.330263021125644
Energy: 1.190310147275668
Energy: 1.2932668509551133
Energy: 1.330263021125644
Energy: 1.1903101472768636
Energy: 1.2932668509551133
Energy: 1.330263021125644
Energy: 1.190310147275668
Energy: 1.2132021327499305
Energy: 1.2954778051713427
Energy: 1.2221020182263613
Energy: 1.2132021327523212
Energy: 1.2954778051713427
Energy: 1.2221020182275566
Energy: 1.2132021327499305
Energy: 1.2954778051701472
Energy: 1.2221020182263613
Energy: 1.213202132751126

minimum gb energy = 1.1793728022582353 eV
minimum distance =  2.2609283178505 Angstroms
sigma value = 15


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

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Energy: 1.4509750641123482
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Energy: 1.3982376757699726
Energy: 1.3764682516085465
Energy: 1.3926976851695765
Energy: 1.3982376757699726
Energy: 1.3764682516063018
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Energy: 1.3982376757699726
Energy: 1.3764682516085465
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Energy: 1.3982376757699726
Energy: 1.3770896105808468
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minimum gb energy = 1.2957089181913304 eV
minimum distance =  2.16096452828778 Angstroms
sigma value = 293


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

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Energy: 1.327323512120762
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Energy: 1.3457056735591402
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Energy: 1.4510541060682416
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Energy: 1.2555681748765077
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Energy: 1.3503838384322904
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Energy: 1.358669462447981
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Energy: 1.3586694624463609
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Energy: 1.3586694624490612
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Energy: 1.264157175660744
Energy: 1.3577413389839286
Energy: 1.416233155556546
Energy: 1.2641571756618242
Energy: 1.357741338984763
Energy: 1.4162331555546313
Energy: 1.2641571756637386
Energy: 1.3577413389855484
Energy: 1.416233155556546
Energy: 1.2641571756610384
Energy: 1.3494749389068983
Energy: 1.3523825179386633
Energy: 1.4761997183022484
Energy: 1.3494749389052785
Energy: 1.352382517938418
Energy: 1.4761997183000883
Energy: 1.349474938908224
Energy: 1.3523825179357178
Energy: 1.476199718297143
Energy: 1.3494749389085183
Energy: 1.4539664762902351
Energy: 1.3361896445893016
Energy: 1.2726391165167483
Energy: 1.4539664762896949
Energy: 1.336189644590627
Energy: 1.2721640583871026
Energy: 1.453966476290775
Energy: 1.336189644591707
Energy: 1.272639116517583
Energy: 1.453966476290775
Energy: 1.3866899141940525
Energy: 1.6282661276364818
Energy: 1.2665690277336248
Energy: 1.386689914194887
Energy: 1.6282661276383965
Energy: 1.266569027729845
Energy: 1.386689914193267
Energy: 1.6282661276405563
Energy: 1.2665690277290103
Energy: 1.3866899141927271

minimum gb energy = 1.2555681748757224 eV
minimum distance =  2.1945568446356 Angstroms
sigma value = 293


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

Energy: 1.2711608377165562
Energy: 1.2749289761454672
Energy: 1.2756590082986348
Energy: 1.2711608377170442
Energy: 1.2749289761449791
Energy: 1.2756590082981465
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Energy: 1.2857405626387939
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Energy: 1.2839291104168153
Energy: 1.2857405626368419
Energy: 1.27189350811692
Energy: 1.2839291104177912
Energy: 1.2857405626383058
Energy: 1.271893508116432
Energy: 1.2839291104153512
Energy: 1.2711608377160681
Energy: 1.274928976150347
Energy: 1.2756590083005865
Energy: 1.2711608377165562
Energy: 1.2749289761493712
Energy: 1.2756590083024941
Energy: 1.2711608377160681
Energy: 1.274928976147907
Energy: 1.2756590083005865
Energy: 1.2711608377165562
Energy: 1.2826716357689099
Energy: 1.2707093141551624
Energy: 1.2858155562454543
Energy: 1.282671635770862
Energy: 1.270709314156626
Energy: 1.2858155562303262
Energy: 1.2826716357718382
Energy: 1.2707093141551624
Energy: 1.2858155562537505
Energy: 1.28267163577135
Energy: 1.2743496945808521
Energy: 1.2710587580833987
Energy: 1.3958882964084574
Energy: 1.2743496945813402
Energy: 1.2710587580838868
Energy: 1.3958882964065054
Energy: 1.2743496945906123
Energy: 1.2710587580838868
Energy: 1.3958882964079695
Energy: 1.2743496945881723
Energy: 1.3958533411373304
Energy: 1.2717738495140711
Energy: 1.273642360185129
Energy: 1.3958533411373304
Energy: 1.2717738495140711
Energy: 1.273642360184153
Energy: 1.3958533411368423
Energy: 1.2717738495145592
Energy: 1.273642360183665
Energy: 1.3958533411368423
Energy: 1.2857405626387939
Energy: 1.271893508117408
Energy: 1.2839291104163273
Energy: 1.285740562640258
Energy: 1.271893508116432
Energy: 1.2839291104163273
Energy: 1.285740562641722
Energy: 1.27189350811692
Energy: 1.2839291104177912
Energy: 1.285740562641234
Energy: 1.2749289761454672
Energy: 1.275659008305422
Energy: 1.27116083771558
Energy: 1.274928976156203
Energy: 1.2756590083063983
Energy: 1.27116083771558
Energy: 1.274928976143515
Energy: 1.2756590083059103
Energy: 1.2711608377160681
Energy: 1.274928976154739
Energy: 1.270709314156626
Energy: 1.2858155562415505
Energy: 1.282671635767934
Energy: 1.2707093141551624
Energy: 1.2858155562478946
Energy: 1.28267163576647
Energy: 1.270709314156626
Energy: 1.2858155562337423
Energy: 1.282671635767446
Energy: 1.2707093141551624

minimum gb energy = 1.2707093141551624 eV
minimum distance =  2.32575053649603 Angstroms
sigma value = 15


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

Energy: 1.4105538701383449
Energy: 1.3241365746288656
Energy: 1.356635789802978
Energy: 1.3599509183731024
Energy: 1.32413657463329
Energy: 1.3566357898051902
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Energy: 1.245564835896295
Energy: 1.315343950040754
Energy: 1.3939292267522212
Energy: 1.2456924498786766
Energy: 1.315343950040754
Energy: 1.4091885430166584
Energy: 1.245564835896295
Energy: 1.3153439500385415
Energy: 1.393929226747797
Energy: 1.2855459094615345
Energy: 1.2278772705069183
Energy: 1.2759856732377437
Energy: 1.285545909468171
Energy: 1.227877270511343
Energy: 1.2759856732355315
Energy: 1.2855459094615345
Energy: 1.2278772705091308
Energy: 1.2759856732377437
Energy: 1.2855459094637465
Energy: 1.4692383018400714
Energy: 1.4140539914992085
Energy: 1.2724365130618474
Energy: 1.4692383018422834
Energy: 1.4140539914992085
Energy: 1.2724105335556302
Energy: 1.4692383018378592
Energy: 1.4140539915014207
Energy: 1.2724365130618474
Energy: 1.4692383018422834
Energy: 1.2243574362355054
Energy: 1.3718146084070435
Energy: 1.4413991291222306
Energy: 1.2243574362355054
Energy: 1.3718146084092557
Energy: 1.4413991291200186
Energy: 1.224357436233293
Energy: 1.3718146084092557
Energy: 1.4413991291222306
Energy: 1.2243574362355054
Energy: 1.3660994977424108
Energy: 1.4369672329573218
Energy: 1.3062147633669525
Energy: 1.3520680403783514
Energy: 1.4369672329573218
Energy: 1.3062147633603163
Energy: 1.3660994977424108
Energy: 1.4369672329595338
Energy: 1.3062147633647403
Energy: 1.3520680403827756
Energy: 1.365960806842068
Energy: 1.3057656603716503
Energy: 1.4426601915805486
Energy: 1.3502502037446251
Energy: 1.305765660369438
Energy: 1.452715876834878
Energy: 1.3659608068442803
Energy: 1.305765660367226
Energy: 1.4426601915761244
Energy: 1.3502502037468371
Energy: 1.2247400928225638
Energy: 1.448734260314615
Energy: 1.3261666156649283
Energy: 1.2247400928203516
Energy: 1.4487342603124027
Energy: 1.3261666156671406
Energy: 1.2247400928225638
Energy: 1.448734260314615
Energy: 1.3261666156671406
Energy: 1.2247400928181393
Energy: 1.3662133359529025
Energy: 1.2685913380510832
Energy: 1.4752896850969484
Energy: 1.3662133359728117
Energy: 1.2685913380510832
Energy: 1.4752896850947363
Energy: 1.3662133359661754
Energy: 1.2685913380510832
Energy: 1.4752896850947363
Energy: 1.3662133359816602
Energy: 1.2862783740999626
Energy: 1.4909236966639179
Energy: 1.2279675454457137
Energy: 1.2862783740977506
Energy: 1.4909236966617057
Energy: 1.225893211845936
Energy: 1.2862783741021746
Energy: 1.4909236966639179
Energy: 1.2279675454435017
Energy: 1.2862783740999626
Energy: 1.4266712885898376
Energy: 1.3458595015229253
Energy: 1.2432904024024063
Energy: 1.4266712885876256
Energy: 1.3458595015207133
Energy: 1.2432904024024063
Energy: 1.426671288594262
Energy: 1.345859501518501
Energy: 1.2432904023979818
Energy: 1.4266712885876256
Energy: 1.3095702970697032
Energy: 1.4590364115721977
Energy: 1.312278815642922
Energy: 1.309570297067491
Energy: 1.4590364115677734
Energy: 1.312278815645134
Energy: 1.309570297065279
Energy: 1.4590364115744097
Energy: 1.312278815645134
Energy: 1.3095702970697032
Energy: 1.4733624134363195
Energy: 1.3725382685796743
Energy: 1.226249897643514
Energy: 1.4733624134318952
Energy: 1.3725382685752499
Energy: 1.2262498976479386
Energy: 1.4733624134363195
Energy: 1.3725382685774619
Energy: 1.2262498976457263
Energy: 1.4733624134318952
Energy: 1.2234552998973045
Energy: 1.381451417807309
Energy: 1.3528961492073837
Energy: 1.2234552998928803
Energy: 1.381451417805097
Energy: 1.3528961492073837
Energy: 1.2234552998928803
Energy: 1.3814514178117334
Energy: 1.3528961492095957
Energy: 1.2234552998950925
Energy: 1.4420914510431406
Energy: 1.3017229755176296
Energy: 1.3584807464262774
Energy: 1.4420914510431406
Energy: 1.3052857505306457
Energy: 1.3585326026271975
Energy: 1.4420914510431406
Energy: 1.3017229755154176
Energy: 1.3584807464240654
Energy: 1.4420914510431406
Energy: 1.4692261492808367
Energy: 1.2219598497106925
Energy: 1.3429784917739913
Energy: 1.469226149283049
Energy: 1.2219598497129045
Energy: 1.342978491771779
Energy: 1.469226149285261
Energy: 1.2219598497106925
Energy: 1.3429784917784156
Energy: 1.469226149283049
Energy: 1.3400574557129623
Energy: 1.5877670149101077
Energy: 1.3405298304576352
Energy: 1.340057455715174
Energy: 1.5877670149123198
Energy: 1.3405298304576352
Energy: 1.340057455715174
Energy: 1.5877670149101077
Energy: 1.3405298304576352
Energy: 1.34005745571075
Energy: 1.3781873807641354
Energy: 1.2449974213905606
Energy: 1.533522578618585
Energy: 1.3781873807663474
Energy: 1.245215924014427
Energy: 1.533522578620797
Energy: 1.3781873807663474
Energy: 1.2449974213905606
Energy: 1.533522578620797
Energy: 1.3781873807663474
Energy: 1.3064510888450123
Energy: 1.2314576750078796
Energy: 1.4576535661970467
Energy: 1.3064510888494365
Energy: 1.2314576750100916
Energy: 1.457653566199259
Energy: 1.3064510888472245
Energy: 1.2314576750078796
Energy: 1.4576535661970467
Energy: 1.3064510888494365
Energy: 1.2392433986728923
Energy: 1.2996050708434097
Energy: 1.2681093397724665
Energy: 1.2392433986706801
Energy: 1.2996050708434097
Energy: 1.2703576043072589
Energy: 1.2392433986728923
Energy: 1.2996050708434097
Energy: 1.2681093397724665
Energy: 1.2392433986706801
Energy: 1.2270083459251948
Energy: 1.2983366143477095
Energy: 1.4508649973685133
Energy: 1.2270083459251948
Energy: 1.2983366143454975
Energy: 1.4508649973707255
Energy: 1.2270083459251948
Energy: 1.2983366143499218
Energy: 1.4508649973729375
Energy: 1.227008345929619
Energy: 1.3559180175685377
Energy: 1.4599452864714872
Energy: 1.30989137143991
Energy: 1.3120807170982087
Energy: 1.4599452864714872
Energy: 1.30989137143991
Energy: 1.3559180175663255
Energy: 1.4599452864736993
Energy: 1.3098913714443343
Energy: 1.3120807171026327

minimum gb energy = 1.2158576672962333 eV
minimum distance =  2.20964546771028 Angstroms
sigma value = 437


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

Energy: 1.218708158595159
Energy: 1.417563882656472
Energy: 1.4388018093072095
Energy: 1.2187081585943529
Energy: 1.4175638826588897
Energy: 1.438801809308015
Energy: 1.218708158595159
Energy: 1.417563882656472
Energy: 1.4388018093072095
Energy: 1.2187081585943529
Energy: 1.2445269026938355
Energy: 1.1638881309964908
Energy: 1.1760742494442284
Energy: 1.2445269026914179
Energy: 1.1638881309964908
Energy: 1.1760742494418108
Energy: 1.2445269026938355
Energy: 1.1638881309964908
Energy: 1.1760742494442284
Energy: 1.2445269026930295
Energy: 1.3225543250656024
Energy: 1.1762539116796245
Energy: 1.3217071876128499
Energy: 1.3225543250639906
Energy: 1.1762539116828483
Energy: 1.3217071876120439
Energy: 1.3225543250656024
Energy: 1.1762539116788184
Energy: 1.4730792121295413
Energy: 1.3225543250639906
Energy: 1.3287603552433465
Energy: 1.4206585200387436
Energy: 1.2410147301702437
Energy: 1.3287603552433465
Energy: 1.4206585200395496
Energy: 1.2410147301710497
Energy: 1.3287603552433465
Energy: 1.4206585200387436
Energy: 1.2410147301710497
Energy: 1.3287603552433465
Energy: 1.3604212120457986
Energy: 1.1382456387950648
Energy: 1.5384473751189895
Energy: 1.3604212120457986
Energy: 1.1382456387950648
Energy: 1.5384473751214072
Energy: 1.3604212120457986
Energy: 1.1382456387950648
Energy: 1.5384473751189895
Energy: 1.3604212120457986
Energy: 1.296326078097476
Energy: 1.259233065082892
Energy: 1.1628764681404369
Energy: 1.296326078098282
Energy: 1.2592330650836976
Energy: 1.1628764681420487
Energy: 1.296326078097476
Energy: 1.259233065082086
Energy: 1.1628764681404369
Energy: 1.296326078098282
Energy: 1.2869857038853596
Energy: 1.190067155575362
Energy: 1.1759097763132884
Energy: 1.2869857038861654
Energy: 1.190067155575362
Energy: 1.1759097763132884
Energy: 1.2869857038845536
Energy: 1.190067155575362
Energy: 1.1759097763132884
Energy: 1.399293882910887
Energy: 1.2566004479294444
Energy: 1.4905274775064765
Energy: 1.278449976727633
Energy: 1.2566004479286386
Energy: 1.4905274775040587
Energy: 1.2784499767308564
Energy: 1.2566004479294444
Energy: 1.4905274775064765
Energy: 1.278449976728439
Energy: 1.2566004479286386
Energy: 1.6232671964495224
Energy: 1.1724485058717795
Energy: 1.1385120953113492
Energy: 1.6232671964479104
Energy: 1.1724485058725853
Energy: 1.1385120953113492
Energy: 1.6232671964495224
Energy: 1.1724485058725853
Energy: 1.1385120953113492
Energy: 1.6232671964479104
Energy: 1.3739771021593974
Energy: 1.27228847324866
Energy: 1.4817129997497107
Energy: 1.373977102161009
Energy: 1.27228847324866
Energy: 1.4817129997505167
Energy: 1.3739771021602032
Energy: 1.27228847324866
Energy: 1.4817129997489051
Energy: 1.373977102161009
Energy: 1.366922143348312
Energy: 1.1565838587356874
Energy: 1.2204234754777221
Energy: 1.3669221433475793
Energy: 1.1565838587364934
Energy: 1.220423475479334
Energy: 1.366922143348312
Energy: 1.1565838587356874
Energy: 1.2204234754777221
Energy: 1.3669221433475793
Energy: 1.3071556058148448
Energy: 1.1602155275935975
Energy: 1.4375384017688508
Energy: 1.3071556058148448
Energy: 1.1602155275935975
Energy: 1.437538401768045
Energy: 1.3071556058156508
Energy: 1.1602155275935975
Energy: 1.4375384017688508
Energy: 1.3071556058156508
Energy: 1.1386913468596453
Energy: 1.5890378404564416
Energy: 1.1388331506839835
Energy: 1.1386913468596453
Energy: 1.5890378404556358
Energy: 1.1388331506855953
Energy: 1.1386913468596453
Energy: 1.5890378404572476
Energy: 1.1388331506839835
Energy: 1.1386913468596453
Energy: 1.1874047995663448
Energy: 1.1517120234795855
Energy: 1.1711503755595476
Energy: 1.1874047995663448
Energy: 1.1517120234779736
Energy: 1.171150375557936
Energy: 1.1874047995663448
Energy: 1.1517120234795855
Energy: 1.1711503755595476
Energy: 1.1874047995679564

minimum gb energy = 1.1382456387950648 eV
minimum distance =  2.21936993273895 Angstroms
sigma value = 33