Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.8105355844189335
mass=95.95
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: 0.021300817134076545
Energy: 0.36974342638450924
Energy: 0.021300817133776122
Energy: 0.36974342638586116
Energy: 0.021300817134076545
Energy: 0.36974342638484725
Energy: 0.021300817134076545
Energy: 0.02313063227913772
Energy: 0.7354335187654145
Energy: 0.0231306322794757
Energy: 0.735433518766053
Energy: 0.0231306322794757
Energy: 0.7354335187654145
Energy: 0.023130632279813677
Energy: 1.8999665804216408
Energy: 0.6977106852467463
Energy: 2.3152730629434135
Energy: 0.6977106852464083
Energy: 0.02162243995175762
Energy: 0.6977106852464083
Energy: 0.0216224399520956
Energy: 0.02313063227913772
Energy: 0.7354335187650766
Energy: 0.0231306322794757
Energy: 0.7354335187654145
Energy: 0.0231306322794757
Energy: 0.7354335187654145
Energy: 0.023130632279813677
Energy: 0.021300817133776122
Energy: 0.36974342638552316
Energy: 0.021300817133776122
Energy: 0.3697434263851852
Energy: 0.021300817134076545
Energy: 0.3697434263851852
Energy: 0.021300817133776122
Energy: 0.02313063227913772
Energy: 0.7354335187650766
Energy: 0.02313063227913772
Energy: 0.735433518765715
Energy: 0.02313063227913772
Energy: 0.735433518765715
Energy: 0.0231306322794757

minimum gb energy = 0.021300817133776122 eV
minimum distance =  2.71888025278934 Angstroms
sigma value = 5


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

Energy: 2.133283775008457
Energy: 2.1188593303563987
Energy: 2.133283775008457
Energy: 2.1188593303604364
Energy: 2.133283775008457
Energy: 2.1188593303563987
Energy: 2.133283775008457
Energy: 2.0638671777128117
Energy: 2.0502318715210155
Energy: 2.0638671777128117
Energy: 2.0502318715210155
Energy: 2.0638671777128117
Energy: 2.0502318715210155
Energy: 2.0638671777128117
Energy: 1.8993461570892498
Energy: 1.9774961731840106
Energy: 1.8993461570932872
Energy: 1.9774961731840106
Energy: 1.8993461570892498
Energy: 1.9774961731840106
Energy: 1.8993461570892498
Energy: 1.930064818906618
Energy: 2.035551655709248
Energy: 1.930064818906618
Energy: 2.035551655709248
Energy: 1.930064818906618
Energy: 2.035551655709248
Energy: 1.930064818906618
Energy: 1.915609399607469
Energy: 2.041462528618352
Energy: 1.915609399607469
Energy: 2.041462528618352
Energy: 1.915609399607469
Energy: 2.041462528622389
Energy: 1.9156093996115062
Energy: 2.0781319785271006
Energy: 2.0660375264490094
Energy: 2.0781319785311383
Energy: 2.0660375264490094
Energy: 2.0781319785271006
Energy: 2.0660375264490094
Energy: 2.0781319785311383
Energy: 2.0153205947909214
Energy: 2.0493869322994245
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Energy: 2.0493869322994245
Energy: 2.0153205947909214
Energy: 2.0493869322994245
Energy: 2.0153205947909214
Energy: 1.9695015383704702
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Energy: 2.043404983397563
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Energy: 2.043404983401601
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Energy: 1.9580410150575007
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Energy: 1.9580410150615382
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Energy: 1.9323250701510029
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Energy: 1.9693967002233281
Energy: 1.996476239168651
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Energy: 1.9902432715328062
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Energy: 1.9700203353450552
Energy: 2.0948786627984965
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Energy: 2.094878662806571
Energy: 1.9700203353490926
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Energy: 2.0215385412132276
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Energy: 2.0029438152094365
Energy: 2.0215385412091904
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Energy: 1.899087884527595
Energy: 1.9955766341367558
Energy: 1.899087884527595
Energy: 1.9955766341327186
Energy: 1.899087884523558
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Energy: 1.899087884527595
Energy: 2.0849562734038996
Energy: 2.0913647481580537
Energy: 2.0849562734038996
Energy: 2.0913647481580537
Energy: 2.0849562734038996
Energy: 2.0913647481620905
Energy: 2.0849562734079368
Energy: 1.92015420944822
Energy: 2.0127887455647313
Energy: 1.92015420944822
Energy: 2.0127887455647313
Energy: 1.92015420944822
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Energy: 1.92015420944822
Energy: 2.027580542813444
Energy: 1.9685615652677755
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Energy: 1.968561565263738
Energy: 2.027580542813444
Energy: 1.9685615652677755
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Energy: 2.019836491727894
Energy: 1.9815653947857323
Energy: 2.0198364917319314
Energy: 1.9815653947897696
Energy: 2.019836491727894
Energy: 1.9815653947857323
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Energy: 1.9612410922122212
Energy: 1.9087985245125916
Energy: 1.9612410922081842
Energy: 1.9087985245125916
Energy: 1.9612410922081842
Energy: 1.9087985245125916
Energy: 1.9612410922081842
Energy: 1.9474412785032338
Energy: 1.8925706320827038
Energy: 1.9474412785032338
Energy: 1.8925706320867413
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Energy: 1.9474412785032338
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Energy: 2.0729850844357705
Energy: 2.0145548739631254
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Energy: 2.0729850844398072
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Energy: 2.134787184743469
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Energy: 2.134787184743469
Energy: 2.16387660424412
Energy: 2.134787184743469
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Energy: 1.9047217483958379
Energy: 2.0527957603214047
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Energy: 2.0527957603214047
Energy: 1.904721748391801
Energy: 2.0527957603214047
Energy: 1.9047217483958379
Energy: 2.130075474904535
Energy: 2.0471929979402184
Energy: 2.130075474904535
Energy: 2.047192997944255
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Energy: 2.0471929979402184
Energy: 2.130075474904535
Energy: 1.9022425800749796
Energy: 1.9657422047301938
Energy: 1.9022425800749796
Energy: 1.9657422047301938
Energy: 1.9022425800749796
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Energy: 2.0262482767490257
Energy: 2.107479782074037
Energy: 2.0262482767449885
Energy: 2.107479782078074
Energy: 2.0262482767490257
Energy: 1.9654557056503874
Energy: 2.1428241060544817
Energy: 1.9654557056463502
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Energy: 2.1428241060625566
Energy: 1.9654557056503874
Energy: 2.0584800286400493
Energy: 1.9507560497084486
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Energy: 1.950756049712486
Energy: 2.0584800286400493
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Energy: 1.9225310752905949
Energy: 1.9528726018360094
Energy: 1.9225310752905949
Energy: 1.9528726018400464
Energy: 1.9225310752905949
Energy: 1.9528726018360094
Energy: 1.9225310752905949
Energy: 1.9029756006641247
Energy: 2.057347622133805
Energy: 1.9029756006641247
Energy: 2.057347622133805
Energy: 1.9029756006641247
Energy: 2.057347622133805
Energy: 1.9029756006641247
Energy: 1.938551988442524
Energy: 2.0447790003234747
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Energy: 2.0447790003234747
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Energy: 1.938551988442524
Energy: 2.0214077479853265
Energy: 2.0447309655696846
Energy: 2.0214077479853265
Energy: 2.0447309655656474
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Energy: 2.0447309655696846
Energy: 2.0214077479853265
Energy: 2.1604300109069006
Energy: 2.134786968537909
Energy: 2.1604300109028634
Energy: 2.1347869685338714
Energy: 2.1604300109069006
Energy: 2.1347869685338714
Energy: 2.1604300109069006
Energy: 1.9570418415020345
Energy: 2.046125467065711
Energy: 1.957041841506072
Energy: 2.046125467065711
Energy: 1.9570418414979973
Energy: 2.046125467065711
Energy: 1.9570418415020345
Energy: 1.9722867556267085
Energy: 2.0406260369090696
Energy: 1.9722867556267085
Energy: 2.0406260369090696
Energy: 1.9722867556267085
Energy: 2.0406260369090696
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Energy: 1.9052912370121295
Energy: 1.9253615947446667
Energy: 1.9052912370121295
Energy: 1.9253615947446667
Energy: 1.9052912370121295
Energy: 1.9253615947446667
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Energy: 2.096143795050687
Energy: 1.9987860760520775
Energy: 2.096143795050687
Energy: 1.9987860760520775
Energy: 2.096143795050687
Energy: 1.9987860760520775
Energy: 2.096143795050687
Energy: 1.995335205667828
Energy: 1.9891690926961318
Energy: 1.9953352056718652
Energy: 1.9891690926961318
Energy: 1.995335205667828
Energy: 1.989169092700169
Energy: 1.9953352056718652
Energy: 2.085493269558571
Energy: 2.05772771405246
Energy: 2.085493269562608
Energy: 2.05772771405246
Energy: 2.085493269562608
Energy: 2.05772771405246
Energy: 2.085493269562608
Energy: 1.9337737655368297
Energy: 2.007611947203385
Energy: 1.9337737655368297
Energy: 2.007611947199348
Energy: 1.9337737655368297
Energy: 2.007611947199348
Energy: 1.9337737655368297
Energy: 1.9028639922126787
Energy: 2.0254211129030844
Energy: 1.9028639922126787
Energy: 2.0254211129030844
Energy: 1.9028639922126787
Energy: 2.0254211129030844
Energy: 1.9028639922126787
Energy: 1.9166579963146941
Energy: 2.028636631629333
Energy: 1.9166579963106567
Energy: 2.028636631629333
Energy: 1.9166579963146941
Energy: 2.02863663163337
Energy: 1.9166579963106567
Energy: 1.9364102578314932
Energy: 2.001719591739479
Energy: 1.9364102578274558
Energy: 2.001719591739479
Energy: 1.9364102578314932
Energy: 2.001719591739479
Energy: 1.9364102578274558

minimum gb energy = 1.8925706320827038 eV
minimum distance =  2.48239912848492 Angstroms
sigma value = 401


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

Energy: 2.132394607827529
Energy: 2.1734884236430125
Energy: 2.1323946078289455
Energy: 2.173488423642096
Energy: 2.132394607827529
Energy: 2.1734884236430125
Energy: 2.132394607827529
Energy: 1.963939893012212
Energy: 1.9923082447421245
Energy: 1.963939893012212
Energy: 1.9923082447417082
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Energy: 1.9593690774206058
Energy: 2.0797186673465595
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Energy: 2.079718667345643
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Energy: 2.063760495551019
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Energy: 2.036415976171319
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Energy: 2.0942276914075615
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Energy: 1.9582846707773596
Energy: 1.909441235530005
Energy: 2.1512843320018065
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Energy: 1.9094412355309212
Energy: 2.1512843320036397
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Energy: 1.9777726868233
Energy: 2.0049080404003905
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Energy: 2.0049080404003905
Energy: 1.977772686825133
Energy: 2.0049080403985573
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Energy: 2.0170156178874556
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Energy: 2.023770901842164
Energy: 2.0170156178860394
Energy: 2.0237709018444967
Energy: 2.0170156178878726
Energy: 2.1323946078266123
Energy: 2.173488423643512
Energy: 2.1323946078284455
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Energy: 2.1323946078307787
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Energy: 2.132394607828029
Energy: 1.9639398930131287
Energy: 1.9923082447439577
Energy: 1.963939893014545
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Energy: 1.9692118871347712
Energy: 1.941771001257181
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Energy: 1.941771001257181
Energy: 1.9692118871347712
Energy: 1.9417710012567646
Energy: 1.9692118871329385
Energy: 1.959369077419273
Energy: 2.0797186673465595
Energy: 1.9593690774201893
Energy: 2.079718667347476
Energy: 1.9593690774201893
Energy: 2.079718667345143
Energy: 1.9593690774220225
Energy: 2.0054267012486546
Energy: 2.063760495552352
Energy: 2.005426701247738
Energy: 2.063760495552352
Energy: 2.005426701250071
Energy: 2.063760495551019
Energy: 2.0054267012486546
Energy: 2.0609438292202045
Energy: 2.0928612737267582
Energy: 2.0609438292187883
Energy: 2.0928612737258416
Energy: 2.0609438292178717
Energy: 2.0928612737240084
Energy: 2.0609438292178717
Energy: 2.0364159761717358
Energy: 2.0928999901484566
Energy: 2.036415976169486
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Energy: 2.0928999901471235
Energy: 2.036415976170819
Energy: 1.9838775758747562
Energy: 2.064247068305873
Energy: 1.983877575872923
Energy: 2.0642470683077065
Energy: 1.9838775758738398
Energy: 2.064247068308623
Energy: 1.9838775758756728
Energy: 1.991689191822213
Energy: 2.064139330192935
Energy: 1.9916891918235462
Energy: 2.064139330192935
Energy: 1.9916891918244628
Energy: 2.064139330191102
Energy: 1.9916891918240462
Energy: 1.958284670776443
Energy: 2.094227691407062
Energy: 1.95828467077511
Energy: 2.094227691407062
Energy: 1.95828467077511
Energy: 2.094227691404812
Energy: 1.958284670776943
Energy: 1.9094412355305048
Energy: 2.151284332002723
Energy: 1.9094412355318382
Energy: 2.1512843320023065
Energy: 1.9094412355318382
Energy: 2.1512843320036397
Energy: 1.9094412355332546
Energy: 1.9777726868247167
Energy: 2.00490804039989
Energy: 1.9777726868238
Energy: 2.0049080404013067
Energy: 1.9777726868242167
Energy: 2.0049080403985573
Energy: 1.9777726868233
Energy: 2.017015617886956
Energy: 2.023770901843996
Energy: 2.0170156178842062
Energy: 2.0237709018444967
Energy: 2.0170156178865395
Energy: 2.0237709018430805
Energy: 2.0170156178874556
Energy: 2.1323946078307787
Energy: 2.1734884236425955
Energy: 2.132394607828029
Energy: 2.1734884236430125
Energy: 2.132394607827529
Energy: 2.1734884236430125
Energy: 2.132394607828029
Energy: 1.9639398930117953
Energy: 1.9923082447426246
Energy: 1.9639398930117953
Energy: 1.9923082447426246
Energy: 1.9639398930112955
Energy: 1.9923082447426246
Energy: 1.9639398930117953

minimum gb energy = 1.909441235530005 eV
minimum distance =  2.51280455932572 Angstroms
sigma value = 311


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

Energy: 2.092292675721045
Energy: 2.1846336351745483
Energy: 1.9971800093535463
Energy: 2.0632961312671676
Energy: 2.092292675721045
Energy: 2.1846336351745483
Energy: 1.9971800093530174
Energy: 2.0546786031185484
Energy: 2.0307002134190197
Energy: 2.060258975577145
Energy: 2.0317342108075045
Energy: 2.0546786031169613
Energy: 2.030700213419549
Energy: 2.060258975577674
Energy: 2.0337902576284486
Energy: 2.076619173839198
Energy: 2.0354938377126692
Energy: 2.0766598998055943
Energy: 2.033790257627919
Energy: 2.076619173839198
Energy: 2.0354938377121403
Energy: 2.158621893062965
Energy: 2.115384638001135
Energy: 2.098071856313197
Energy: 2.1153846380006063
Energy: 2.158621893062965
Energy: 2.115384638001135
Energy: 2.0980718563126675
Energy: 2.1345809796950967
Energy: 2.1160077760898632
Energy: 2.1342874316885023
Energy: 2.116007776090392
Energy: 2.1345809796945674
Energy: 2.116007776089334
Energy: 2.1342874316885023
Energy: 1.9829554732793286
Energy: 2.228702501281669
Energy: 1.982955473279858
Energy: 2.2170677846766846
Energy: 1.9829554732793286
Energy: 2.22870250128114
Energy: 1.9829554732803871
Energy: 1.9530496529201546
Energy: 2.169015834601707
Energy: 1.953049652920684
Energy: 2.1724120355327066
Energy: 1.9530496529212131
Energy: 2.1690158346022366
Energy: 1.9530496529212131
Energy: 2.237429522288975
Energy: 2.1344589640062543
Energy: 2.237429522288446
Energy: 2.1344589640062543
Energy: 2.2374295222895046
Energy: 2.134458964005725
Energy: 2.2374295222895046
Energy: 2.2996030073225633
Energy: 2.122725941427714
Energy: 2.2996030073220344
Energy: 2.122725941426656
Energy: 2.2996030073230926
Energy: 2.122725941426127
Energy: 2.2996030073230926
Energy: 2.0310907620499834
Energy: 2.1933088991408063
Energy: 2.0310892962014453
Energy: 2.1925824642275797
Energy: 2.0310907620499834
Energy: 2.193308899140278
Energy: 2.0310892962014453
Energy: 2.026060522612315
Energy: 2.2021832041146245
Energy: 2.025618497958306
Energy: 2.2063281163466497
Energy: 2.026060522612315
Energy: 2.2021832041146245
Energy: 2.025618497958835
Energy: 2.164135093620762
Energy: 2.066196274299752
Energy: 2.164135093621291
Energy: 2.0661962743002813
Energy: 2.164135093620762
Energy: 2.0661962743002813
Energy: 2.164135093621291
Energy: 2.151568285562321
Energy: 2.065599754512069
Energy: 2.15156828556285
Energy: 2.065599754512069
Energy: 2.1515682855639087
Energy: 2.0655997545125984
Energy: 2.1515682855633793
Energy: 1.9951966606132332
Energy: 2.00955503642583
Energy: 1.9951966606137623
Energy: 2.00955503642636
Energy: 1.9951966606132332
Energy: 2.0095550364247723
Energy: 1.9951966606121747
Energy: 2.091238984402918
Energy: 2.1687996400719016
Energy: 2.091238984403447
Energy: 2.168815080405421
Energy: 2.0912389844023886
Energy: 2.16879964007296
Energy: 2.0912389844023886
Energy: 2.0055995847488903
Energy: 2.074498335932785
Energy: 2.0055995847483614
Energy: 2.074498335932785
Energy: 2.0055995847488903
Energy: 2.0744983359333142
Energy: 2.0055995847488903
Energy: 2.0445091250004546
Energy: 2.026518263656934
Energy: 2.044509125000984
Energy: 2.026144405388086
Energy: 2.0445091249999248
Energy: 2.026518263656405
Energy: 2.0445091250004546
Energy: 2.052661072533666
Energy: 2.083834766727021
Energy: 2.0523297859915255
Energy: 2.09076774241969
Energy: 2.052661072534195
Energy: 2.083834766727021
Energy: 2.0523297859904672
Energy: 2.1125714104373645
Energy: 2.252100585063229
Energy: 2.1872646706157797
Energy: 2.257384556374995
Energy: 2.1199508570723844
Energy: 2.252100585064287
Energy: 2.119950857072914
Energy: 2.096628952862689
Energy: 2.2143973688935943
Energy: 2.096628952862689
Energy: 2.2115366608312583
Energy: 2.096628952862689
Energy: 2.2143973688930654
Energy: 2.09662895286216
Energy: 1.9743727725318745
Energy: 1.9918572371857108
Energy: 1.9743727725324034
Energy: 1.9918572371862402
Energy: 1.9743727725313451
Energy: 1.9918572371857108
Energy: 1.9743727725308158
Energy: 1.992960038638212
Energy: 2.06861002237145
Energy: 1.9929600386392703
Energy: 2.0686100223725084
Energy: 1.9929600386397992
Energy: 2.0686100223725084
Energy: 1.992960038638741
Energy: 2.1437540447787473
Energy: 2.075470276865918
Energy: 2.0524696999850573
Energy: 2.047467733318679
Energy: 2.1437540447787473
Energy: 2.075470276865389
Energy: 2.0524696999839986
Energy: 2.226661779558529
Energy: 2.1856029965113675
Energy: 2.1414692971134035
Energy: 2.141674631931606
Energy: 2.226661779558529
Energy: 2.185602996511897
Energy: 2.141469297113933
Energy: 2.0786784022758544
Energy: 2.039591563324914
Energy: 2.0785397667841625
Energy: 2.0388598393628814
Energy: 2.0786784022769127
Energy: 2.039591563325443
Energy: 2.078539766783633
Energy: 2.210678949777885
Energy: 2.050696804058171
Energy: 2.2109785275965934
Energy: 2.063090445900113
Energy: 2.2106789497768267
Energy: 2.050696804058171
Energy: 2.2109785275971223
Energy: 2.1197540757655142
Energy: 2.1163106340235354
Energy: 2.119844111355971
Energy: 2.1163106340245936
Energy: 2.1197540757660436
Energy: 2.116310634025123
Energy: 2.119844111354913
Energy: 2.083164853696549
Energy: 2.204265314962172
Energy: 2.0831648536976073
Energy: 2.2006058515348204
Energy: 2.083164853696549
Energy: 2.204265314962701
Energy: 2.083164853697078
Energy: 2.010671341443688
Energy: 2.0051757823829788
Energy: 2.0106713414442168
Energy: 2.0051757823829788
Energy: 2.010671341443688
Energy: 2.0051757823829788
Energy: 2.0106713414442168
Energy: 2.2162396743002946
Energy: 2.132383996031303
Energy: 2.2162396743002946
Energy: 2.132383996031303
Energy: 2.2162396743013533
Energy: 2.1323839960307738
Energy: 2.216239674300824
Energy: 2.2474050972488233
Energy: 2.120715509965216
Energy: 2.2474050972498816
Energy: 2.120715509965216
Energy: 2.2474050972493522
Energy: 2.120715509965216
Energy: 2.2474050972488233
Energy: 2.043753680221793
Energy: 2.214535082818986
Energy: 2.0436817163922747
Energy: 2.1855682638713074
Energy: 2.043753680221793
Energy: 2.2145350828184562
Energy: 2.0436817163912164
Energy: 2.0380656865218514
Energy: 2.075022258289728
Energy: 2.0380720110629804
Energy: 2.0752422576652343
Energy: 2.0380656865218514
Energy: 2.075022258289199
Energy: 2.0380720110629804
Energy: 2.168850437786103
Energy: 2.214071073728728
Energy: 2.1688504377850446
Energy: 2.214071073728199
Energy: 2.1688504377845157
Energy: 2.214071073728728
Energy: 2.1688504377850446
Energy: 2.2086165182958024
Energy: 2.1854182933016344
Energy: 2.2087071273577528
Energy: 2.1854247182376425
Energy: 2.2086165182958024
Energy: 2.1854182933000468
Energy: 2.208707127357224
Energy: 1.9768037828438543
Energy: 2.0030726444229328
Energy: 1.9768037828438543
Energy: 2.003072644422403
Energy: 1.9768037828449125
Energy: 2.003072644422403
Energy: 1.9768037828454417

minimum gb energy = 1.9530496529201546 eV
minimum distance =  2.4680855538384 Angstroms
sigma value = 39


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

Energy: 1.9927053731375224
Energy: 2.0645507602013784
Energy: 1.9927053731368978
Energy: 2.0645507602013784
Energy: 1.9927053731375224
Energy: 2.064550760202003
Energy: 1.9927053731362734
Energy: 1.9313375499877303
Energy: 1.8721040681535064
Energy: 1.931337549988355
Energy: 1.8721040681528818
Energy: 1.931337549987106
Energy: 1.8721040681547552
Energy: 1.9313375499877303
Energy: 1.9697415780641807
Energy: 1.903408953227645
Energy: 1.9697415780635559
Energy: 1.9034089532295184
Energy: 1.9697415780629317
Energy: 1.9034089532282694
Energy: 1.969741578064805
Energy: 2.1443534002592437
Energy: 1.8528883807695564
Energy: 2.1443534002579945
Energy: 1.8528883807695564
Energy: 2.1443534002579945
Energy: 1.8528883807701813
Energy: 2.1443534002592437
Energy: 1.9435967916839054
Energy: 1.8949674040952234
Energy: 1.9435967916864036
Energy: 1.8949674040945987
Energy: 1.9435967916857788
Energy: 1.8949674040952234
Energy: 1.9435967916857788
Energy: 2.0111822586367616
Energy: 1.9084596602864825
Energy: 2.011182258636137
Energy: 1.9084596602858581
Energy: 2.0111822586373864
Energy: 1.9084596602864825
Energy: 2.011182258636137
Energy: 2.1856566449718415
Energy: 1.9681175925075582
Energy: 2.235735665766057
Energy: 1.9681175925069339
Energy: 2.1931415318021643
Energy: 1.968117592506309
Energy: 2.1931415318021643
Energy: 2.016701179925051
Energy: 1.9529569723508695
Energy: 2.0167011799256755
Energy: 1.9529569723489957
Energy: 2.016701179923177
Energy: 1.9529569723489957
Energy: 2.0167011799256755
Energy: 2.0277749697787906
Energy: 1.952603538591184
Energy: 2.0277749697787906
Energy: 1.952603538591184
Energy: 2.027774969778166
Energy: 1.9526035385918086
Energy: 2.0277749697787906
Energy: 1.9636965035994691
Energy: 2.035163156183968
Energy: 1.9636965035994691
Energy: 2.035163156183968
Energy: 1.9636965035994691
Energy: 2.0351631561845926
Energy: 1.9636965036007181
Energy: 2.065821442863392
Energy: 1.9814705979907459
Energy: 1.933001974575346
Energy: 1.9814705979913703
Energy: 1.933001974575346
Energy: 1.9814705979913703
Energy: 1.9330019745759703
Energy: 1.9842368323804422
Energy: 1.8541026070217197
Energy: 1.9842368323798178
Energy: 1.854102607022344
Energy: 1.984236832379193
Energy: 1.8541026070217197
Energy: 1.9842368323804422
Energy: 1.941385696614513
Energy: 1.8973878223582556
Energy: 1.9413856966132639
Energy: 1.89738782235888
Energy: 1.941385696614513
Energy: 1.8973878223595046
Energy: 1.9413856966126393
Energy: 1.9692130528013507
Energy: 1.853773061607934
Energy: 1.9692130528013507
Energy: 1.8537730616085586
Energy: 1.969213052800726
Energy: 1.853773061607934
Energy: 1.9692130528013507
Energy: 1.9808000156597634
Energy: 1.9548359263028505
Energy: 1.9808000156110506
Energy: 1.9548359263028505
Energy: 2.161968202650586
Energy: 1.954835926303475
Energy: 2.0995493520052078
Energy: 1.9694978775243566
Energy: 1.912994594540668
Energy: 1.9694978775243566
Energy: 1.9129945945400437
Energy: 1.9694978775237317
Energy: 1.912994594539419
Energy: 1.9694978775243566
Energy: 2.008255020611362
Energy: 1.9527074794081098
Energy: 2.0082550206107377
Energy: 1.9527074794087342
Energy: 2.0082550206107377
Energy: 1.9527074794099835
Energy: 2.0082550206107377
Energy: 2.066718324781915
Energy: 1.9500177218870356
Energy: 2.0667183247806657
Energy: 1.9500177218864112
Energy: 2.06671832478129
Energy: 1.950017721885162
Energy: 2.0667183247806657
Energy: 2.042894027351612
Energy: 1.9643391901020968
Energy: 2.042894026291628
Energy: 1.964339190099031
Energy: 2.042894026761666
Energy: 1.9643391901002232
Energy: 2.0428940266617994
Energy: 1.9639950303993081
Energy: 2.0291089384053134
Energy: 1.9639950303986837
Energy: 2.0291089384053134
Energy: 1.9639950303974345
Energy: 2.0291089384058814
Energy: 1.9639950303986837
Energy: 1.988743004846036
Energy: 1.8532721805814565
Energy: 1.988743004846036
Energy: 1.853272180580832
Energy: 1.9887430048472852
Energy: 1.8532721805833303
Energy: 1.9887430048479098
Energy: 2.016715156687633
Energy: 1.8513166602607114
Energy: 2.0167151566870087
Energy: 1.8513166602607114
Energy: 2.016715156687633
Energy: 1.8513166602600868
Energy: 2.0167151566870087
Energy: 2.0432276612853233
Energy: 1.9034356562701436
Energy: 2.043227661287197
Energy: 1.9034356562695192
Energy: 2.043227661297814
Energy: 1.9034356562713928
Energy: 2.0432276612984386
Energy: 1.9407968968511413
Energy: 1.8503083918080596
Energy: 1.9407968968511413
Energy: 1.8503083918093086
Energy: 1.9407968968523905
Energy: 1.8503083918074352
Energy: 1.9407968968511413
Energy: 2.0178357921495684
Energy: 1.9153347869193076
Energy: 2.017835792150817
Energy: 1.9153347869193076
Energy: 2.017835792150817
Energy: 1.9153347869211812
Energy: 2.017835792150817
Energy: 2.082483152291765
Energy: 1.9724105924120183
Energy: 2.082483152291765
Energy: 1.972410592413267
Energy: 2.082483152291765
Energy: 1.9724105924120183
Energy: 2.082483152292389
Energy: 2.017779401425926
Energy: 1.9504434589453357
Energy: 2.017779401427175
Energy: 1.9504434589440869
Energy: 2.017779401425926
Energy: 1.9504434589453357
Energy: 2.017779401425926
Energy: 1.9315501539035933
Energy: 1.9461810932973227
Energy: 1.9315501539035933
Energy: 1.9461810932966983
Energy: 1.9315501539048419
Energy: 1.9461810932966983
Energy: 1.9315501539048419
Energy: 1.9927053731368978
Energy: 2.064550760202627
Energy: 1.9927053731362734
Energy: 2.064550760202627
Energy: 1.9927053731368978
Energy: 2.064550760202003
Energy: 1.9927053731368978
Energy: 1.9313375499877303
Energy: 1.8721040681541308
Energy: 1.9313375499889796
Energy: 1.8721040681535064
Energy: 1.931337549988355
Energy: 1.8721040681547552
Energy: 1.9313375499889796

minimum gb energy = 1.8503083918074352 eV
minimum distance =  2.476836868076 Angstroms
sigma value = 21


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

Energy: 1.8334135403014618
Energy: 1.92035719916216
Energy: 1.83341354030222
Energy: 1.9203571991636763
Energy: 1.83341354030222
Energy: 1.92035719916216
Energy: 1.83341354030222
Energy: 1.7361189465117233
Energy: 1.6983044899657112
Energy: 1.736118946510965
Energy: 1.6983044899641948
Energy: 1.7361189465102067
Energy: 1.698304489964953
Energy: 1.736118946510965
Energy: 1.8060466692451227
Energy: 1.7760930959122827
Energy: 1.8060466692458808
Energy: 1.7760930959107661
Energy: 1.8060466692451227
Energy: 1.7760930959130405
Energy: 1.8060466692458808
Energy: 1.675798343281395
Energy: 1.696108743960013
Energy: 1.675798343282153
Energy: 1.6961087439607714
Energy: 1.675798343280637
Energy: 1.696108743960013
Energy: 1.675798343281395
Energy: 1.637760154606945
Energy: 1.7351332019263799
Energy: 1.637760154606945
Energy: 1.7351332019263799
Energy: 1.637760154606945
Energy: 1.7351332019271382
Energy: 1.637760154606945
Energy: 1.6683442285434122
Energy: 1.7084545281705832
Energy: 1.6683442285434122
Energy: 1.7084545281705832
Energy: 1.6683442285434122
Energy: 1.7084545281713415
Energy: 1.6683442285434122
Energy: 1.5973905434435887
Energy: 2.4057734983892036
Energy: 1.597390543444347
Energy: 2.4057734983892036
Energy: 1.5973905434435887
Energy: 2.4057734983892036
Energy: 1.597390543444347
Energy: 1.7221705953394446
Energy: 1.7026749600116247
Energy: 1.7221705953394446
Energy: 1.7026749600116247
Energy: 1.7221705953394446
Energy: 1.702674960012383
Energy: 1.7221705953386863
Energy: 1.8220940489914645
Energy: 1.6563492642711364
Energy: 1.8220940489914645
Energy: 1.6563492642711364
Energy: 1.8220940489914645
Energy: 1.6563492642711364
Energy: 1.8220940489922228
Energy: 1.6848168991595067
Energy: 2.368024500382486
Energy: 1.6848168991587487
Energy: 2.3680245003817273
Energy: 1.6848168991595067
Energy: 2.368024500382486
Energy: 1.6848168991587487
Energy: 1.5883640557584615
Energy: 1.703017488766037
Energy: 1.5883640557592198
Energy: 1.703017488765279
Energy: 1.5883640557584615
Energy: 1.703017488765279
Energy: 1.5883640557592198
Energy: 1.6662426109744566
Energy: 1.735975516450115
Energy: 1.6662426109744566
Energy: 1.735975516450873
Energy: 1.6662426109744566
Energy: 1.735975516450115
Energy: 1.6662426109744566
Energy: 1.733073807108802
Energy: 1.6582951281821565
Energy: 1.733073807108802
Energy: 1.6582951281821565
Energy: 1.733073807108802
Energy: 1.6582951281821565
Energy: 1.733073807108802
Energy: 1.7631682555068136
Energy: 2.4283210935806876
Energy: 1.7631682555075714
Energy: 2.428321093579929
Energy: 1.7631682555068136
Energy: 2.4283210935806876
Energy: 1.7631682555075714
Energy: 1.7286941197667791
Energy: 1.712707061845108
Energy: 1.7286941197667791
Energy: 1.712707061845866
Energy: 1.7286941197682955
Energy: 1.7127070618466242
Energy: 1.7286941197675372
Energy: 1.8383576366079277
Energy: 1.8662887315356784
Energy: 1.838357636608686
Energy: 1.8662887315349204
Energy: 1.8383576366079277
Energy: 1.8662887315364367
Energy: 1.838357636608686
Energy: 1.7609727589044235
Energy: 1.6930435567730797
Energy: 1.7609727589044235
Energy: 1.6930435567708055
Energy: 1.7609727589044235
Energy: 1.6930435567708055
Energy: 1.7609727589044235
Energy: 1.7881017059529085
Energy: 2.4284036589673583
Energy: 1.7881017059536666
Energy: 2.4284036589666003
Energy: 1.7881017059529085
Energy: 2.4284036589673583
Energy: 1.7881017059536666
Energy: 1.7263707967511523
Energy: 1.7125328656014243
Energy: 1.7263707967519106
Energy: 1.7125328656014243
Energy: 1.7263707967511523
Energy: 1.7125328656014243
Energy: 1.7263707967519106
Energy: 1.6656536636659398
Energy: 1.649126604266933
Energy: 1.6656536636651815
Energy: 1.649126604266933
Energy: 1.6656536636659398
Energy: 1.649126604266933
Energy: 1.665653663666698
Energy: 1.6708517140432213
Energy: 1.8154418517549198
Energy: 1.6708517140439796
Energy: 1.8154418517556778
Energy: 1.6708517140432213
Energy: 1.8154418517556778
Energy: 1.6708517140439796
Energy: 1.5818975611891533
Energy: 2.419134320375592
Energy: 1.5818975611876374
Energy: 2.419134320375592
Energy: 1.5818975611891533
Energy: 2.4191343203748334
Energy: 1.581897561188395
Energy: 1.743516306152565
Energy: 1.7127615590289529
Energy: 1.7435163061563554
Energy: 1.712761559029711
Energy: 1.7435163061563554
Energy: 1.7127615590289529
Energy: 1.743516306152565
Energy: 1.7894084571427826
Energy: 1.6490788424465677
Energy: 1.7894084571427826
Energy: 1.6490788424465677
Energy: 1.7894084571427826
Energy: 1.6490788424458096
Energy: 1.7894084571427826
Energy: 1.6703047586359674
Energy: 1.8481085192421183
Energy: 1.6703047586359674
Energy: 1.8481085192421183
Energy: 1.670304758635209
Energy: 1.8481085192421183
Energy: 1.6703047586359674

minimum gb energy = 1.5818975611876374 eV
minimum distance =  2.53105955725432 Angstroms
sigma value = 113


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

Energy: 1.5718635576397515
Energy: 1.6066389768047256
Energy: 1.571863557640136
Energy: 1.6066389768055718
Energy: 1.571863557640136
Energy: 1.6066389768051104
Energy: 1.571863557640136
Energy: 1.5476539915222676
Energy: 1.4808909646000137
Energy: 1.5476539915235754
Energy: 1.4808909645983215
Energy: 1.5476539915231138
Energy: 1.4808909646013215
Energy: 1.5476539915244216
Energy: 1.5637596024466174
Energy: 1.551248719439558
Energy: 1.5637596024483098
Energy: 1.5512487194404045
Energy: 1.563759602445771
Energy: 1.551248719439943
Energy: 1.5637596024474636
Energy: 1.4795738128789067
Energy: 1.4755682106655055
Energy: 1.479573812877599
Energy: 1.4755682106663517
Energy: 1.479573812877599
Energy: 1.4755682106646588
Energy: 1.4795738128772142
Energy: 1.482157172320851
Energy: 1.5775470883554743
Energy: 1.4821571723191587
Energy: 1.5775470883592442
Energy: 1.4821571723203895
Energy: 1.5775470883571667
Energy: 1.4821571723195432
Energy: 1.472365237575988
Energy: 1.4934517458576821
Energy: 1.4723652375772187
Energy: 1.4934517458551437
Energy: 1.472365237576834
Energy: 1.4934517458644525
Energy: 1.4723652375772187
Energy: 1.456703063310643
Energy: 1.5207840141465803
Energy: 1.4567030633111044
Energy: 1.5207840141457343
Energy: 1.4567030633114892
Energy: 1.5207840141478883
Energy: 1.4567030633111044
Energy: 1.4673550989526605
Energy: 1.434422202758394
Energy: 1.4673550989535067
Energy: 1.4344222027626252
Energy: 1.467355098953122
Energy: 1.434422202758394
Energy: 1.4673550989539685
Energy: 1.5177684692359759
Energy: 1.4772189458789018
Energy: 1.5177684692372835
Energy: 1.4772189458827483
Energy: 1.5177684692364373
Energy: 1.4772189458810558
Energy: 1.5177684692368216
Energy: 1.4909017704921947
Energy: 1.4362561111322385
Energy: 1.4909017704921947
Energy: 1.4362561111271612
Energy: 1.4909017704921947
Energy: 1.4362561111310077
Energy: 1.490901770493041
Energy: 1.4207332800484174
Energy: 1.391298028626915
Energy: 1.42073328005011
Energy: 1.3912980286264534
Energy: 1.4207332800480328
Energy: 1.3912980286252226
Energy: 1.4207332800505716
Energy: 1.4237066232596625
Energy: 1.4564174163208128
Energy: 1.4237066232608937
Energy: 1.4564174163233512
Energy: 1.423706623260509
Energy: 1.456417416320351
Energy: 1.4237066232608937
Energy: 1.361031913054336
Energy: 1.6186196194093352
Energy: 1.3610319130534898
Energy: 1.6186196194122584
Energy: 1.3610319130534898
Energy: 1.6186196194114122
Energy: 1.3610319130538746
Energy: 1.5018041926414873
Energy: 1.4343672598304356
Energy: 1.5018041926435644
Energy: 1.4343672598312818
Energy: 1.5018041926410257
Energy: 1.4343672598295891
Energy: 1.501804192644026
Energy: 1.4886807175447594
Energy: 1.3980789350017921
Energy: 1.4886807175464518
Energy: 1.398078935006408
Energy: 1.4886807175447594
Energy: 1.3980789350068694
Energy: 1.4886807175464518
Energy: 1.4111512881408965
Energy: 1.7894925464283347
Energy: 1.411151288141358
Energy: 1.7894925464279499
Energy: 1.411151288141358
Energy: 1.7894925464291804
Energy: 1.4111512881417427
Energy: 1.3609868909571843
Energy: 1.4494682261120275
Energy: 1.3609868909537994
Energy: 1.4494682261120275
Energy: 1.3609868909567229
Energy: 1.4494682261107967
Energy: 1.3609868909537994
Energy: 1.419926186052591
Energy: 1.4454112621601318
Energy: 1.4199261860483596
Energy: 1.4454112621639783
Energy: 1.419926186052591
Energy: 1.4454112621609778
Energy: 1.419926186050052
Energy: 1.4563724118936991
Energy: 1.413725502846205
Energy: 1.456372411893238
Energy: 1.4137255028440507
Energy: 1.4563724118940842
Energy: 1.4137255028440507
Energy: 1.4563724118940842
Energy: 1.475308277039259
Energy: 1.635212775223945
Energy: 1.4753082770384125
Energy: 1.6352127752235603
Energy: 1.4753082770371049
Energy: 1.6352127752218681
Energy: 1.475308277037951
Energy: 1.455532262088108
Energy: 1.430073122509471
Energy: 1.4555322620847229
Energy: 1.430073122511548
Energy: 1.455532262086877
Energy: 1.4300731225103174
Energy: 1.455532262088108
Energy: 1.446682901095717
Energy: 1.460562986013041
Energy: 1.4466829010944091
Energy: 1.4605629859348022
Energy: 1.4466829010952555
Energy: 1.46056298937237
Energy: 1.4466829010944091
Energy: 1.4535350670758997
Energy: 1.4033845843695505
Energy: 1.453535067080054
Energy: 1.4033845843703967
Energy: 1.4535350670754383
Energy: 1.403384584369166
Energy: 1.4535350670754383
Energy: 1.4080514840758542
Energy: 1.7228308085546464
Energy: 1.4080514840746237
Energy: 1.7228308085534156
Energy: 1.4080514840758542
Energy: 1.7228308085538002
Energy: 1.4080514840750082
Energy: 1.5906970352679213
Energy: 1.4617116457417745
Energy: 1.590697035264998
Energy: 1.4617116457400818
Energy: 1.590697035267075
Energy: 1.4617116457383894
Energy: 1.5906970352658443
Energy: 1.5256214981738905
Energy: 1.4705253527766078
Energy: 1.5256214981730445
Energy: 1.4705253527787618
Energy: 1.525621498173429
Energy: 1.4705253527803774
Energy: 1.5256214981725826
Energy: 1.5496342139789634
Energy: 1.7018987994475199
Energy: 1.5496342139781172
Energy: 1.7018987994505204
Energy: 1.5496342139772705
Energy: 1.7018987994479817
Energy: 1.5496342139785784
Energy: 1.5111411470726628
Energy: 1.6967104582912254
Energy: 1.5111411470748168
Energy: 1.6967104582912254
Energy: 1.5111411470722782
Energy: 1.6967104582903791
Energy: 1.5111411470748168
Energy: 1.6909819211222676
Energy: 1.5001475265360154
Energy: 1.6909819211256525
Energy: 1.5001475265343227
Energy: 1.690981921125191
Energy: 1.5001475265360154
Energy: 1.6909819211226524
Energy: 1.531970314916956
Energy: 1.470603327947077
Energy: 1.5319703149173405
Energy: 1.470603327946231
Energy: 1.5319703149139556
Energy: 1.470603327946231
Energy: 1.5319703149148018
Energy: 1.5157734494375958
Energy: 1.513114425830003
Energy: 1.5157734494379804
Energy: 1.513114425829157
Energy: 1.5157734494375958
Energy: 1.513114425830003
Energy: 1.5157734494379804
Energy: 1.4080304712728369
Energy: 1.680543449977405
Energy: 1.4080304712736833
Energy: 1.680543449977405
Energy: 1.4080304712723755
Energy: 1.6805434499770202
Energy: 1.4080304712740679
Energy: 1.6064189923689016
Energy: 1.510871556072261
Energy: 1.6064189923697478
Energy: 1.5108715560705686
Energy: 1.6064189923689016
Energy: 1.5108715560697221
Energy: 1.6064189923693633
Energy: 1.4127703029007859
Energy: 1.444375729770506
Energy: 1.412770302900401
Energy: 1.444375729773506
Energy: 1.4127703029007859
Energy: 1.444375729770506
Energy: 1.412770302900401
Energy: 1.4640123472979742
Energy: 1.6396413272132315
Energy: 1.4640123472975124
Energy: 1.63964132721277
Energy: 1.4640123472975124
Energy: 1.6396413272136166
Energy: 1.4640123472975124
Energy: 1.4598691459387974
Energy: 1.6154820233650893
Energy: 1.4598691459371047
Energy: 1.6154820233654739
Energy: 1.459869145937951
Energy: 1.6154820233633966
Energy: 1.4598691459383357
Energy: 1.658755078093498
Energy: 1.4396508986896834
Energy: 1.658755078091344
Energy: 1.4396508986896834
Energy: 1.6587550780938825
Energy: 1.4396508986892989
Energy: 1.658755078091344
Energy: 1.4116861791719448
Energy: 1.3965703305761918
Energy: 1.4116861791710988
Energy: 1.3965703305765764
Energy: 1.4116861791719448
Energy: 1.3965703305757302
Energy: 1.411686179170714
Energy: 1.4156060832894288
Energy: 1.4213730008906131
Energy: 1.4156060832885826
Energy: 1.4213730008897665
Energy: 1.415606083289044
Energy: 1.4213730008897665
Energy: 1.4156060832881978
Energy: 1.3607358320553573
Energy: 1.4126826436780096
Energy: 1.3607358320562035
Energy: 1.4126826436813944
Energy: 1.3607358320549725
Energy: 1.412682643680548
Energy: 1.360735832056665
Energy: 1.4384556269147575
Energy: 1.4583774877333604
Energy: 1.4384556269164501
Energy: 1.458377487731668
Energy: 1.4384556269151425
Energy: 1.4583774877342068
Energy: 1.4384556269159885
Energy: 1.444306960078391
Energy: 1.400602255296688
Energy: 1.44430696007716
Energy: 1.4006022552721473
Energy: 1.444306960078853
Energy: 1.4006022553330761
Energy: 1.444306960076699
Energy: 1.4172357261947128
Energy: 1.8217775148179312
Energy: 1.4172357261959438
Energy: 1.8217775148175464
Energy: 1.4172357261947128
Energy: 1.8217775148179312
Energy: 1.4172357261959438
Energy: 1.3605734987444476
Energy: 1.4248620795521858
Energy: 1.3605734987452938
Energy: 1.4248620795547244
Energy: 1.3605734987444476
Energy: 1.4248620795543399
Energy: 1.3605734987452938
Energy: 1.4121589624436355
Energy: 1.4433614772537489
Energy: 1.4121589624394042
Energy: 1.4433614772529026
Energy: 1.4121589624427893
Energy: 1.4433614772537489
Energy: 1.4121589624410966

minimum gb energy = 1.3605734987444476 eV
minimum distance =  2.51551042438396 Angstroms
sigma value = 365


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

Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.4804733077753792
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.4804733077753792
Energy: 3.0362432758652567
Energy: 1.671345880967481
Energy: 3.036271909171602
Energy: 1.671345880967481
Energy: 3.0363466050633763
Energy: 1.671345880967481
Energy: 3.036135821715268
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173880287
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 3.3418773552638825
Energy: 1.671345880967481
Energy: 3.342199286651216
Energy: 1.671345880967481
Energy: 3.035893926333355
Energy: 1.671345880967481
Energy: 3.0360169393155942
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 3.341958584722465
Energy: 1.671345880967481
Energy: 3.342326051687349
Energy: 1.671345880967481
Energy: 3.035859686831073
Energy: 1.671345880967481
Energy: 3.035863173989809
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 3.0364198809737672
Energy: 1.671345880967481
Energy: 3.036386276095042
Energy: 1.671345880967481
Energy: 3.036425899979445
Energy: 1.671345880967481
Energy: 3.036463982131376
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 3.035937123025248
Energy: 1.671345880967481
Energy: 3.03588085587848
Energy: 1.671345880967481
Energy: 3.0358560452039565
Energy: 1.671345880967481
Energy: 3.0358805490490886
Energy: 0.48047330777347125
Energy: 0.5843713173880287
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173880287
Energy: 0.48047330777442526
Energy: 3.0364636670194596
Energy: 1.6713458809665271
Energy: 3.0365543346533945
Energy: 1.671345880967481
Energy: 3.0362890883975293
Energy: 1.671345880967481
Energy: 3.0365806425830373
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 3.036316058716119
Energy: 1.671345880967481
Energy: 3.036439090751285
Energy: 1.6713458809665271
Energy: 3.0364692353451312
Energy: 1.671345880967481
Energy: 3.0365083482728186
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173880287
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 3.036687117740712
Energy: 1.671345880967481
Energy: 3.0367502628458976
Energy: 1.671345880967481
Energy: 3.0365486889309667
Energy: 1.671345880967481
Energy: 3.0365755927966935
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 3.0364634044309664
Energy: 1.671345880967481
Energy: 3.036475765655596
Energy: 1.671345880967481
Energy: 3.036485460595175
Energy: 1.671345880967481
Energy: 3.036489567338081
Energy: 0.48047330777442526
Energy: 0.5843713173880287
Energy: 0.48047330777442526
Energy: 0.5843713173889827
Energy: 0.48047330777442526
Energy: 0.5843713173880287
Energy: 0.48047330777442526
Energy: 3.0363495925659025
Energy: 1.671345880968435
Energy: 3.036350533727021
Energy: 1.671345880967481
Energy: 3.0363459000392417
Energy: 1.671345880968435
Energy: 3.036343610228005

minimum gb energy = 0.48047330777347125 eV
minimum distance =  2.49632643813225 Angstroms
sigma value = 23