Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098572611809
cohesive_energy=4.242432836338272
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.020127269509713122
Energy: 0.47276589107449496
Energy: 0.2640876372981039
Energy: 0.4727984698032148
Energy: 0.020127269509713122
Energy: 0.47276589107449496
Energy: 0.2640876372981039
Energy: 0.48709137437767913
Energy: 0.020710167203025168
Energy: 0.24329049360443966
Energy: 0.021006121763949268
Energy: 0.48709137437767913
Energy: 0.020710167203025168
Energy: 0.24329049360694877
Energy: 0.020127269509713122
Energy: 0.47276589107475153
Energy: 0.2640876372981039
Energy: 0.4727984698032148
Energy: 0.020127269509713122
Energy: 0.4727658910750081
Energy: 0.2640876372981039
Energy: 0.48709137437767913
Energy: 0.020710167203025168
Energy: 0.24329049360443966
Energy: 0.021006121763949268
Energy: 0.48709137437767913
Energy: 0.020710167203025168
Energy: 0.24329049360694877
Energy: 0.020127269509713122
Energy: 0.47276589107449496
Energy: 0.2640876372981039
Energy: 0.47279846980347146
Energy: 0.020127269509713122
Energy: 0.47276589107475153
Energy: 0.2640876372981039
Energy: 0.48709137437767913
Energy: 0.020710167203025168
Energy: 0.24329049360443966
Energy: 0.021006121763949268
Energy: 0.48709137437767913
Energy: 0.020710167203025168
Energy: 0.24329049360694877

minimum gb energy = 0.020127269509713122 eV
minimum distance =  2.52963429825233 Angstroms
sigma value = 5


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

Energy: 0.9089020128283013
Energy: 0.9624003776220712
Energy: 0.8641856376493157
Energy: 0.944170466517901
Energy: 0.908902012834432
Energy: 0.9624003776190058
Energy: 0.8951509602466101
Energy: 0.8528174246251297
Energy: 0.9173206376281742
Energy: 0.968284063078289
Energy: 0.9269421762702804
Energy: 0.8528174246189989
Energy: 0.9173206376251087
Energy: 0.968284063078289
Energy: 0.8747445267641119
Energy: 0.8821297945937194
Energy: 0.8727716921067153
Energy: 0.8591846535369643
Energy: 0.874744526773308
Energy: 0.8821297945875886
Energy: 0.8727716921067153
Energy: 1.0110569185576146
Energy: 0.8036722863269279
Energy: 0.8370295515868826
Energy: 0.9291237326669927
Energy: 1.0110569185637455
Energy: 0.8036722863207972
Energy: 0.8370295515868826
Energy: 0.9745320917000926
Energy: 0.8759688846447709
Energy: 0.8354922406671301
Energy: 0.8562098230131724
Energy: 0.9745320916970273
Energy: 0.8759688846478361
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Energy: 0.8731323816829079
Energy: 0.8893720518332021
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Energy: 0.9142794973105047
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Energy: 0.9215532383166297
Energy: 0.8670089578597323
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Energy: 0.8765764014180634
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Energy: 0.8866850716169052
Energy: 0.9223833721857337
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Energy: 0.9832557355216239
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Energy: 0.5969285000701702
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Energy: 0.9832557355185586
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Energy: 0.8702694510818845
Energy: 0.945752716546331
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Energy: 0.8702694510818845
Energy: 0.9720837825127585
Energy: 0.8728752666015427
Energy: 0.89618814714746
Energy: 0.8907926069029835
Energy: 0.9720837825096932
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Energy: 0.89618814714746
Energy: 0.9212691245292968
Energy: 0.9569354949830825
Energy: 0.8915580954458202
Energy: 0.9260606164754912
Energy: 0.9212691245262312
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Energy: 0.8915580954427549
Energy: 0.9404415063746563
Energy: 0.8754524045076829
Energy: 0.8921550785161141
Energy: 0.6000394046685672
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Energy: 0.9794468903088182
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Energy: 0.8798131590764965
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Energy: 0.8798131590673004
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Energy: 0.8782171083205038
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Energy: 0.9070755513429981
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Energy: 0.9091156404179415
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Energy: 0.8693031640012157
Energy: 0.9131995429894887
Energy: 0.8811306194372623
Energy: 0.941013214638928
Energy: 0.9686292457894922
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Energy: 0.8811306194403277
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Energy: 0.9686292457864268
Energy: 0.9214842764439944
Energy: 0.9637329185428566
Energy: 0.8899372079164787
Energy: 0.8667962967381225
Energy: 0.9214842764439944
Energy: 0.9637329185428566
Energy: 0.8646122335440422
Energy: 1.0064679774058476
Energy: 0.8981453568714113
Energy: 0.9046099751250427
Energy: 0.8982790837971333
Energy: 1.0064679774058476
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Energy: 0.9046099751127812
Energy: 0.9025159289626743
Energy: 0.9072870080629702
Energy: 0.8940352368788241
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Energy: 0.9244134603593441
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Energy: 1.0007429246985968
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Energy: 0.8479189227429392
Energy: 0.9014763888186021
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Energy: 0.8776489022861707
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Energy: 0.8776489022831053
Energy: 0.955536651753042
Energy: 0.8505116675574432
Energy: 0.9472400203993362
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Energy: 0.9555366517438462
Energy: 0.8505116675605084
Energy: 0.9472400204024015
Energy: 0.9599285347022949
Energy: 0.8772608727395064
Energy: 0.8418978700478212
Energy: 0.8867166130022449
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Energy: 0.8772608727333757
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Energy: 0.8780346574627274
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Energy: 0.9012781595836435
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Energy: 0.9388135910189821
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Energy: 0.5983359390126372
Energy: 0.9070649175655813
Energy: 0.8738521006977642
Energy: 0.9187140244190151
Energy: 0.5983359390003757
Energy: 0.9070649175625158
Energy: 0.9351865460062329
Energy: 1.0047177125419735
Energy: 0.8086920961544324
Energy: 0.5406478556762235
Energy: 0.9351865460062329
Energy: 1.004717712545039
Energy: 0.8086920961483016
Energy: 0.9259592300646519
Energy: 0.8780796773947063
Energy: 0.8722064398591469
Energy: 0.9273691478321786
Energy: 0.9259592300707826
Energy: 0.8780796774069122
Energy: 0.8722064398560815
Energy: 0.9445641319390258
Energy: 0.9202647940403335
Energy: 0.8862081200367224
Energy: 0.9296505146666969
Energy: 0.9445641319420912
Energy: 0.9202647940433989
Energy: 0.8862081200397878
Energy: 0.9903421771311953
Energy: 0.9244049315565745
Energy: 0.9281904338985488
Energy: 0.8959554802144649
Energy: 0.9903421771403915
Energy: 0.9244049315565745
Energy: 0.9281904338954836
Energy: 0.9807470600890867
Energy: 0.4805458019530279
Energy: 0.829796083263712
Energy: 1.0013343150283218
Energy: 0.9807470600798908
Energy: 0.4805458019407664
Energy: 0.8297960832575813
Energy: 0.8857058604320842
Energy: 0.9020095686824925
Energy: 0.8751699964797335
Energy: 0.9216460436810952
Energy: 0.8857058604320842
Energy: 0.9020095686763618
Energy: 0.8751699964888738
Energy: 0.9332349013119903
Energy: 0.912320318390491
Energy: 0.8199586350620335
Energy: 0.904553522892879
Energy: 0.9332349013058594
Energy: 0.9123203183843603
Energy: 0.8199586350650987
Energy: 0.9755982788745842
Energy: 0.9203969912664625
Energy: 0.8398971966792501
Energy: 0.8995514801089933
Energy: 0.9755982788684534
Energy: 0.9203969912725932
Energy: 0.8398971966792501
Energy: 0.9173725421899915
Energy: 0.8876305703918899
Energy: 0.8437995877793156
Energy: 0.885003776933647
Energy: 0.9173725421899915
Energy: 0.8876305703949553
Energy: 0.8437995877823811

minimum gb energy = 0.4805458019407664 eV
minimum distance =  2.26874585621534 Angstroms
sigma value = 401


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

Energy: 0.9903420918243715
Energy: 0.9571561227619986
Energy: 0.8817137418024982
Energy: 0.9854627334454049
Energy: 0.990342091820892
Energy: 0.957156122758519
Energy: 0.897643333532731
Energy: 0.916386159998004
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Energy: 0.8765835913287088
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Energy: 0.9391628024098797
Energy: 0.8163577028668138
Energy: 0.9245001125335904
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Energy: 0.9391628024098797
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Energy: 0.9620373463144927
Energy: 0.9784401747262506
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Energy: 0.9084713539370569
Energy: 0.9620373463075337
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Energy: 1.0202448966154098
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Energy: 0.8765835913287088
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Energy: 0.9028374026820962
Energy: 1.0272122830568107
Energy: 0.9587281456826482
Energy: 0.9817382245326094
Energy: 0.9028374026890552
Energy: 0.9438056749244778
Energy: 0.9195497440156272
Energy: 0.8985716354392755
Energy: 0.9210374009082046
Energy: 0.9438056749278941
Energy: 0.9195497440156272
Energy: 0.881812612793219
Energy: 0.9368199437179605
Energy: 0.9727076165790421
Energy: 0.9633393649290559
Energy: 0.9263976664672469
Energy: 0.93681994372144
Energy: 0.9727076165790421
Energy: 0.9630301680680107
Energy: 0.9276580648047487
Energy: 0.9904083093612784
Energy: 0.9758099214870687
Energy: 1.051979157780082
Energy: 0.9276580648082282
Energy: 0.9904083093612784
Energy: 0.9758099214870687
Energy: 0.9598975029392981
Energy: 0.9212851072638111
Energy: 0.973182497911243
Energy: 0.8322069818875085
Energy: 0.9598975029427776
Energy: 0.9212851072672907
Energy: 0.973182497911243
Energy: 1.0428370202619965
Energy: 0.9099350640174484
Energy: 0.9721937364285748
Energy: 0.7156207140029448
Energy: 1.042837020258517
Energy: 0.909935064013969
Energy: 0.9721937364285748
Energy: 1.0099765140781791
Energy: 0.9011983294837923
Energy: 0.9037632103074829
Energy: 0.859740840492556
Energy: 1.0099765140746995
Energy: 0.9011983294837923
Energy: 0.9037632103074829
Energy: 0.9708697379736915
Energy: 0.9936693985744685
Energy: 0.913361688597735
Energy: 0.8747208694435016
Energy: 0.9708697379736915
Energy: 0.9936693985744685
Energy: 0.913361688597735
Energy: 1.0515127077229252
Energy: 0.9571561227619986
Energy: 0.8976433335292514
Energy: 0.9854627334419253
Energy: 1.0515127077298843
Energy: 0.957156122758519
Energy: 0.897643333532731
Energy: 0.916386159998004
Energy: 0.8457880765984002
Energy: 0.8264254769872079
Energy: 0.9632430177683209
Energy: 0.916386159998004
Energy: 0.8457880765984002
Energy: 0.8264254769872079

minimum gb energy = 0.7156207140029448 eV
minimum distance =  2.29658830228729 Angstroms
sigma value = 311


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

Energy: 0.9400556270191661
Energy: 1.0082758421800606
Energy: 1.0051229320114272
Energy: 1.00798705913681
Energy: 0.9400556270203714
Energy: 1.0082758421808642
Energy: 0.9134350888933129
Energy: 1.0087940707368335
Energy: 0.9760711625046264
Energy: 0.9809611147198715
Energy: 0.9195420723567589
Energy: 1.00879407073603
Energy: 0.9760711625042248
Energy: 0.9809611147202733
Energy: 0.8930404608036898
Energy: 0.8364454291768207
Energy: 0.9045092327949062
Energy: 0.8378627721105418
Energy: 0.8930404607996719
Energy: 0.8364454291752136
Energy: 0.8685368287958409
Energy: 0.8855884195276164
Energy: 0.8914185089850732
Energy: 0.9106173884882739
Energy: 0.933449288474493
Energy: 0.885588419530429
Energy: 0.8914185089846716
Energy: 0.9106173884878722
Energy: 0.922085637172258
Energy: 0.8947476401664591
Energy: 0.8977079731893108
Energy: 0.8360452201932752
Energy: 0.9220856371706508
Energy: 0.8947476401668609
Energy: 0.8977079731889089
Energy: 0.9660303957528171
Energy: 0.8837699089028933
Energy: 0.8750681385654747
Energy: 0.9573803649853655
Energy: 0.9660303957528171
Energy: 0.883769908905304
Energy: 0.8750681385662783
Energy: 0.9914959183534844
Energy: 0.9031668404656792
Energy: 0.8315265319738241
Energy: 0.8624582107026694
Energy: 0.9914959183526808
Energy: 0.9031668404664828
Energy: 0.8752420675719124
Energy: 0.8577755999267833
Energy: 0.8896551908099333
Energy: 0.9279587672943385
Energy: 0.9140118444388461
Energy: 0.8577755999263815
Energy: 0.8896551908103351
Energy: 0.9279587672899189
Energy: 0.9906610080800453
Energy: 0.8635136390207392
Energy: 0.954350778689938
Energy: 0.8391640905465626
Energy: 0.9906610080804471
Energy: 0.8635136390203373
Energy: 0.9541680829136528
Energy: 0.9132420066257426
Energy: 0.8759458892881847
Energy: 0.950918389355084
Energy: 0.9259708692259622
Energy: 0.9132420066277515
Energy: 0.87594588928939
Energy: 0.9509183893530752
Energy: 0.8878494648529528
Energy: 0.7634878321665014
Energy: 0.9028523916425265
Energy: 0.8982490702690209
Energy: 0.8878494648521493
Energy: 0.7634878321708845
Energy: 0.9028523916417229
Energy: 0.9245722222269216
Energy: 0.8855587678744046
Energy: 0.9144987905861376
Energy: 0.9213920189870607
Energy: 0.924572222226118
Energy: 0.8855587678723958
Energy: 0.9144987905885482
Energy: 0.920312407401509
Energy: 0.9320586555517846
Energy: 0.913416328320489
Energy: 0.9243566989612155
Energy: 0.9203124074019108
Energy: 0.9320586555525882
Energy: 0.913416328320489
Energy: 0.9433867851594209
Energy: 0.8366266852716001
Energy: 0.9078306822698371
Energy: 0.8402564866341777
Energy: 0.9433867851602245
Energy: 0.8366266852687876
Energy: 0.9078306822706407
Energy: 0.9471622584484571
Energy: 0.8892590788424427
Energy: 0.9384094783981459
Energy: 0.9318508677559726
Energy: 0.9471622584476536
Energy: 0.8892590788424427
Energy: 0.9384094783977441
Energy: 0.9196482787688907
Energy: 0.9637219820630281
Energy: 0.9303321742355743
Energy: 0.8787105857750948
Energy: 0.9196482787704978
Energy: 0.9637219820638316
Energy: 0.9303321742468241
Energy: 0.919816814335682
Energy: 0.8879121470900521
Energy: 0.8861133077144288
Energy: 0.9185878176559774
Energy: 0.919816814335682
Energy: 0.887912147090454
Energy: 0.886113307715634
Energy: 0.9198559582541722
Energy: 0.9031253131165432
Energy: 0.9376586529164258
Energy: 0.8750463904690824
Energy: 0.9198559582537706
Energy: 0.9031253131181503
Energy: 0.93765865291964
Energy: 0.9376144837354311
Energy: 0.8686407425050823
Energy: 0.907928938041328
Energy: 0.8469610998318134
Energy: 0.9376144837370383
Energy: 0.8686407425054841
Energy: 0.9079289380405244
Energy: 0.8574203971068437
Energy: 0.9044059929474162
Energy: 0.8709393085627821
Energy: 0.8425686778318672
Energy: 0.8574203971072456
Energy: 0.9044059929494249
Energy: 0.8709393085346575
Energy: 0.9915180546381477
Energy: 0.8403680736469524
Energy: 1.0544104773078689
Energy: 0.9243824353860809
Energy: 0.9915180546365406
Energy: 0.8403680736453453
Energy: 1.0544104773090743
Energy: 0.9378326563474374
Energy: 0.9819019365820596
Energy: 0.9028149041411824
Energy: 0.8988930178813245
Energy: 0.9378326563458304
Energy: 0.9819019365820596
Energy: 0.9028149041415843
Energy: 0.9030349859819944
Energy: 0.8362713790996347
Energy: 0.8745054353976434
Energy: 0.8946538515913637
Energy: 0.903034985982798
Energy: 0.8362713790992328
Energy: 0.8745054353948308
Energy: 0.8836376209832472
Energy: 0.9334409576193294
Energy: 0.9095801721818851
Energy: 0.8936749697768549
Energy: 0.8836376209820419
Energy: 0.9334409576181242
Energy: 0.9095801721670193
Energy: 0.9214705252373296
Energy: 0.9057661069355774
Energy: 0.9176017675319944
Energy: 0.852312357889008
Energy: 0.9214705252377314
Energy: 0.9057661069351755
Energy: 0.9176017675323962
Energy: 0.9862783355451245
Energy: 0.9600104985248137
Energy: 0.9100842800797335
Energy: 0.9769890599958247
Energy: 0.9862783355451245
Energy: 0.9600104985240101
Energy: 0.910084280080939
Energy: 0.921319903232815
Energy: 1.008242328418547
Energy: 0.9141091394829169
Energy: 1.0082128017401366
Energy: 0.9213199032316095
Energy: 1.0082423284205557
Energy: 0.9141091394833187
Energy: 1.019456137297949
Energy: 0.9593638570579028
Energy: 0.9585146158315534
Energy: 0.9432285347686179
Energy: 1.0194561372983504
Energy: 0.9593638570583046
Energy: 0.9585146158295446
Energy: 0.8789860754189367
Energy: 0.8910332849512714
Energy: 0.8915598024373557
Energy: 0.8442705161274695
Energy: 0.8789860754185349
Energy: 0.8910332849516732
Energy: 0.8915598024373557
Energy: 0.8834847755738215
Energy: 0.8766360332445653
Energy: 0.878783100266327
Energy: 0.8840306861167291
Energy: 0.8834847755738215
Energy: 0.8766360332457708
Energy: 0.8787831002659251
Energy: 0.9225582890989091
Energy: 0.8952593435617829
Energy: 0.8677369676487954
Energy: 0.8361556585736121
Energy: 0.9225582890997127
Energy: 0.8952593435637919
Energy: 0.8677369676491972
Energy: 0.9626461618461049
Energy: 0.8987855128771254
Energy: 0.8568732138465652
Energy: 0.9583495046024155
Energy: 0.9626461618453013
Energy: 0.8987855128783309
Energy: 0.8568732138473688
Energy: 0.9585530408144267
Energy: 0.8192848425992487
Energy: 0.8788987631051703
Energy: 0.845297981252505
Energy: 0.9585530408136231
Energy: 0.8192848427313612
Energy: 0.8788987631047686
Energy: 0.8573112570552258
Energy: 0.8713087628010464
Energy: 0.9528101288874063
Energy: 0.9275888148871129
Energy: 0.8573112570572349
Energy: 0.8713087628006447
Energy: 0.9528101288874063
Energy: 0.9375340558617574
Energy: 0.8636159493251284
Energy: 0.985243497190244
Energy: 0.8521463676268553
Energy: 0.9375340558625609
Energy: 0.8636159493251284
Energy: 0.9852434971906456
Energy: 0.9170448859859218
Energy: 0.8757905493872576
Energy: 0.9262526402650704
Energy: 0.9433754073917555
Energy: 0.9170448859867254
Energy: 0.8757905493872576
Energy: 0.9262526402638649

minimum gb energy = 0.7634878321665014 eV
minimum distance =  2.31238216533487 Angstroms
sigma value = 39


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

Energy: 0.8835189233465734
Energy: 0.9532365956595937
Energy: 0.9124718595430558
Energy: 0.964929205514843
Energy: 0.8835189233465734
Energy: 0.9532365956614904
Energy: 0.8011393812733084
Energy: 1.0253228826772507
Energy: 0.8473652752331238
Energy: 0.7374588622749241
Energy: 0.8476721986987276
Energy: 1.0253228826748797
Energy: 0.8473652752321755
Energy: 0.7374588622768207
Energy: 0.8837148673741854
Energy: 0.8427499633033741
Energy: 0.7272926517918635
Energy: 1.04907224759236
Energy: 0.8837148673732371
Energy: 0.8427499633033741
Energy: 0.7272926517928119
Energy: 1.0547301086331036
Energy: 0.8475952663009012
Energy: 0.7375395327911408
Energy: 0.7883006298411419
Energy: 1.0547301086345262
Energy: 0.8475952663094364
Energy: 0.7375395327882958
Energy: 0.9723309637208971
Energy: 0.8463295604884722
Energy: 1.0253409520714334
Energy: 1.050144954939702
Energy: 0.9723309637204229
Energy: 0.8463295604932141
Energy: 1.0253409520738042
Energy: 1.0548172295473324
Energy: 0.725619790897706
Energy: 1.1417072752824335
Energy: 0.787209283883285
Energy: 1.0548172295421163
Energy: 0.7256197908972317
Energy: 1.141707275279114
Energy: 1.0933331160667625
Energy: 0.8456004434205039
Energy: 0.897431809767597
Energy: 0.8650452194163055
Energy: 1.093333116068659
Energy: 0.8456004434205039
Energy: 0.8974318097685453
Energy: 1.054960968988304
Energy: 0.7595375715761958
Energy: 1.194449639287249
Energy: 0.8562214879895238
Energy: 1.05496096899352
Energy: 0.7595375715742991
Energy: 1.1944496392848782
Energy: 1.0931493211697374
Energy: 0.8656447586717448
Energy: 0.8836447174419175
Energy: 0.8456027024636598
Energy: 1.0931493211697374
Energy: 0.8656447586736414
Energy: 0.8855480343632762
Energy: 1.054839944153923
Energy: 0.7880366332446709
Energy: 1.141826972393916
Energy: 0.7256716123584134
Energy: 1.0548399441515521
Energy: 0.7880366332441966
Energy: 1.141826972393916
Energy: 0.9723623828617386
Energy: 1.048892203236397
Energy: 0.813816451108538
Energy: 0.9053253150258467
Energy: 0.9723623828617386
Energy: 1.048892203236397
Energy: 0.8435397835789354
Energy: 1.0547686811619639
Energy: 0.7877698318957107
Energy: 0.7374855385075126
Energy: 0.8475180383041666
Energy: 1.054768681158645
Energy: 0.7877698319004093
Energy: 0.7374855385079867
Energy: 0.883527135450537
Energy: 0.864822181278961
Energy: 0.850990593514269
Energy: 0.8428705582469825
Energy: 0.883527135450537
Energy: 0.8648221812831856
Energy: 0.8086386926777357
Energy: 1.0253536558879623
Energy: 0.84774695224145
Energy: 0.7374473770164769
Energy: 0.8474670232520721
Energy: 1.0253536558832208
Energy: 0.8477469522381306
Energy: 0.7374473770212187
Energy: 0.8835189233465734
Energy: 0.9532365956595937
Energy: 0.8011393812747309
Energy: 0.9649292071201488
Energy: 0.8835189233456251
Energy: 0.9532365956614904
Energy: 0.8011393812747309
Energy: 1.0253228826758283
Energy: 0.8473652752307529
Energy: 0.7374588622749241
Energy: 0.8476721986987276
Energy: 1.0253228826748797
Energy: 0.8473652752331238
Energy: 0.7374588622768207
Energy: 0.8837148673722888
Energy: 0.8427499633038484
Energy: 0.7272926517928119
Energy: 1.04907224759236
Energy: 0.8837148673732371
Energy: 0.8427499633033741
Energy: 0.7272926517928119
Energy: 1.0547301086350005
Energy: 0.8475952663018496
Energy: 0.7375395327906665
Energy: 0.7883006298411419
Energy: 1.0547301086345262
Energy: 0.8475952663080139
Energy: 0.7375395327882958
Energy: 0.9723309637180951
Energy: 0.8463295604898947
Energy: 1.02534095207333
Energy: 1.0501449549392279
Energy: 0.9723309637185262
Energy: 0.8463295604917915
Energy: 1.02534095207333
Energy: 1.0548172295473324
Energy: 0.7256197908972317
Energy: 1.141707275281011
Energy: 0.787209283883285
Energy: 1.0548172295430647
Energy: 0.7256197908981802
Energy: 1.1417072752776916
Energy: 1.0933331160677109
Energy: 0.8456004434219263
Energy: 0.9166095746549148
Energy: 0.8650452194210472
Energy: 1.093333116068659
Energy: 0.8456004434205039
Energy: 0.9166095746558631
Energy: 1.0549609689873556
Energy: 0.7595375715709799
Energy: 1.194449639287249
Energy: 0.8562214879890495
Energy: 1.0549609689925716
Energy: 0.7595375715757217
Energy: 1.1944496392844042
Energy: 1.093149321169263
Energy: 0.8656447586726932
Energy: 0.885548034365173
Energy: 0.8456027024627114
Energy: 1.0931493211697374
Energy: 0.8656447586745899
Energy: 0.885548034362328
Energy: 1.0548399441543972
Energy: 0.7880366332432484
Energy: 1.1418269723948644
Energy: 0.7256716123555682
Energy: 1.0548399441515521
Energy: 0.788036633245145
Energy: 1.1418269723958125
Energy: 0.9723623828593676
Energy: 1.048892203236397
Energy: 0.7580518380642167
Energy: 0.9053253150248983
Energy: 0.9723623828607902
Energy: 1.048892203234026
Energy: 0.8015346372741801
Energy: 1.0547686811624382
Energy: 0.787769831896185
Energy: 0.7374855385075126
Energy: 0.8475180383046408
Energy: 1.0547686811581707
Energy: 0.7877698318980816
Energy: 0.7374855385075126
Energy: 0.883527135450537
Energy: 0.8648221812784869
Energy: 0.7844344348271147
Energy: 0.8428705582465083
Energy: 0.8835271354500629
Energy: 0.8648221812831856
Energy: 0.784434434832805
Energy: 1.025353655887014
Energy: 0.8477469522409757
Energy: 0.7374473770174252
Energy: 0.8474670232515981
Energy: 1.025353655883695
Energy: 0.8477469522386049
Energy: 0.7374473770212187
Energy: 0.8835189233460993
Energy: 0.9532365956610164
Energy: 0.8011393812742569
Energy: 0.9649292080694951
Energy: 0.8835189233470476
Energy: 0.9532365956610164
Energy: 0.801139381269515
Energy: 1.0253228826772507
Energy: 0.8473652752302786
Energy: 0.7374588622749241
Energy: 0.8476721986992017
Energy: 1.0253228826758283
Energy: 0.8473652752326496
Energy: 0.7374588622768207

minimum gb energy = 0.7256197908972317 eV
minimum distance =  2.27695637604853 Angstroms
sigma value = 21


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

Energy: 0.8357407794372942
Energy: 0.9850577224266989
Energy: 0.873932555330611
Energy: 1.0518030101637827
Energy: 0.8357407791323412
Energy: 0.9850577224249719
Energy: 0.8494180466047584
Energy: 0.916842610425085
Energy: 0.8791879965154193
Energy: 0.8647506285509718
Energy: 0.8360106829447926
Energy: 0.9168426104256606
Energy: 0.8791879965154193
Energy: 0.8647506285503962
Energy: 0.8258864299857532
Energy: 0.9726771966062364
Energy: 0.7778816052372319
Energy: 0.8379913335998371
Energy: 0.8258864299857532
Energy: 0.9726771966062364
Energy: 0.7778816052383831
Energy: 0.9916080418144972
Energy: 0.8786584823578157
Energy: 0.8939755854847377
Energy: 0.8767065529022282
Energy: 0.9916080418144972
Energy: 0.8786584823578157
Energy: 0.8939755854858888
Energy: 0.87216595423289
Energy: 0.8229852124200995
Energy: 0.8711095333924469
Energy: 0.8314322431657644
Energy: 0.8721659542317387
Energy: 0.8229852124200995
Energy: 0.8711095333901444
Energy: 0.9630671534449224
Energy: 0.8713002162552789
Energy: 0.9379389695493806
Energy: 0.8740817194210123
Energy: 0.9630671534443467
Energy: 0.8713002162547032
Energy: 0.9379389695499563
Energy: 0.914870673633488
Energy: 0.9226488548271674
Energy: 0.9074313538847985
Energy: 0.8029772249409347
Energy: 0.9148706736340636
Energy: 0.9226488548254406
Energy: 0.9074313538847985
Energy: 0.8879440607926975
Energy: 0.9463000233515578
Energy: 1.0283650867082834
Energy: 0.8121996532879836
Energy: 0.8879440607811849
Energy: 0.946300023349831
Energy: 1.0283650867100105
Energy: 0.886871284853482
Energy: 0.7287091946121063
Energy: 0.947734854544299
Energy: 0.864498279942837
Energy: 0.8868712848523307
Energy: 0.7287091947329362
Energy: 0.9477348545454501
Energy: 0.9609477999378709
Energy: 0.8664286636059744
Energy: 0.8373965620692431
Energy: 0.814756496937415
Energy: 0.9609477999390221
Energy: 0.8664286636048232
Energy: 0.8373965620680919
Energy: 0.9087063294994223
Energy: 0.9282574223351702
Energy: 0.9348779084596581
Energy: 0.7789608057970955
Energy: 0.9087063294994223
Energy: 0.9282574223357458
Energy: 0.9348779084590826
Energy: 0.8544854059982485
Energy: 0.8930602441394685
Energy: 0.6071708130030004
Energy: 0.8379321043427365
Energy: 0.8544854059982485
Energy: 0.8930602441400441
Energy: 0.6071708130018492
Energy: 0.8713832613272549
Energy: 0.7788518082373681
Energy: 0.8993842516309536
Energy: 0.7198424311120974
Energy: 0.8713832613272549
Energy: 0.7788518082379438
Energy: 0.8993842516326804
Energy: 0.8337446358387627
Energy: 0.8971332886022438
Energy: 0.7416055743313659
Energy: 0.8628516958981899
Energy: 0.8337446358376114
Energy: 0.8971332886028195
Energy: 0.7416055743307902
Energy: 1.0058108041304303
Energy: 0.8603025733570226
Energy: 0.9367294549300692
Energy: 0.5215033855861969
Energy: 1.005810804131006
Energy: 0.8603025733570226
Energy: 0.9384855725674015
Energy: 0.8643047600124774
Energy: 0.910209956659623
Energy: 0.8553076620163153
Energy: 0.9247800998996131
Energy: 0.8643047600107504
Energy: 0.910209956659623
Energy: 0.8553076620157397
Energy: 0.9596570465552132
Energy: 0.813321973417029
Energy: 0.9051962770885796
Energy: 0.9109376964256701
Energy: 0.9596570465563644
Energy: 0.813321973417029
Energy: 0.9051962770885796
Energy: 0.8436970043621241
Energy: 0.9097056061199199
Energy: 0.7873072761699432
Energy: 0.8495729047027255
Energy: 0.843697004360973
Energy: 0.9097056061193443
Energy: 0.7873072761705189
Energy: 0.8677641294371473
Energy: 0.8352328326792058
Energy: 0.7269806411668801
Energy: 0.8663681633101263
Energy: 0.867764129437723
Energy: 0.8352328326797814
Energy: 0.7269806411686072
Energy: 0.8428620056872387
Energy: 0.8685223494993256
Energy: 0.8117609895925936
Energy: 0.8957519797042599
Energy: 0.8428620056855118
Energy: 0.8685223494981743
Energy: 0.8117609895908665
Energy: 0.8749415918108124
Energy: 0.8820947575799923
Energy: 0.9083290033119873
Energy: 0.8009297010013996
Energy: 0.874941591809661
Energy: 0.8820947575794167
Energy: 0.908329003301626
Energy: 0.8364481827558123
Energy: 0.8966902260366342
Energy: 0.7695884432086124
Energy: 0.8552658740454814
Energy: 0.8364481827569635
Energy: 0.8966902260418148
Energy: 0.7695884432080369
Energy: 0.9110930345315682
Energy: 0.6786543798194211
Energy: 0.9556588283285891
Energy: 0.44405500066541287
Energy: 0.9110930345321437
Energy: 0.6786543798199968
Energy: 0.9556588283291647
Energy: 0.8357505699539796
Energy: 0.9255279246040906
Energy: 0.7646551309065384
Energy: 0.9094284537393369
Energy: 0.8357505699528284
Energy: 0.9255279246046662
Energy: 0.7646551309071139
Energy: 1.005810798019966
Energy: 0.7208751078112067
Energy: 0.8634658032619292
Energy: 0.8429017625279677
Energy: 1.0058107980205417
Energy: 0.7208751078100555
Energy: 0.8634658032625049

minimum gb energy = 0.44405500066541287 eV
minimum distance =  2.28635946365385 Angstroms
sigma value = 113


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

Energy: 0.8355856401180671
Energy: -0.9066712352103236
Energy: 0.7882057030638362
Energy: 0.9976186687305643
Energy: 0.835585640124434
Energy: -0.9067061285174385
Energy: 0.8196961566255515
Energy: 0.9392877885858478
Energy: -0.7604938237417831
Energy: 0.9618662525797549
Energy: 0.843871055189775
Energy: 0.9392877885826353
Energy: -0.7926499014248373
Energy: 0.9618662525829674
Energy: 0.8315539842377473
Energy: -0.6856772963783012
Energy: 0.8764966525803994
Energy: 0.8702363096699975
Energy: 0.831553984224897
Energy: -0.6869826436519271
Energy: 0.8764966525771867
Energy: 0.7871039835668112
Energy: 0.8617010243853129
Energy: 1.0926308130052464
Energy: 0.8480406977570555
Energy: 0.7871039835668112
Energy: 0.8617010243853129
Energy: 1.092630813002034
Energy: 0.8141817385865996
Energy: 0.8269484451639817
Energy: 0.8663739882551703
Energy: 0.8277135723906159
Energy: 0.8141817384421501
Energy: 0.8269484451639817
Energy: 0.866373988258383
Energy: 0.7874463707698273
Energy: 0.8573351841952486
Energy: 0.8425689844910114
Energy: 0.7955194464418737
Energy: 0.7874463707729814
Energy: 0.8573351841952486
Energy: 0.8425689609981196
Energy: 0.8295233464263474
Energy: 0.7772170716076858
Energy: 0.8535463038932023
Energy: 0.7857065160870593
Energy: 0.8295233464295599
Energy: 0.7772170716108984
Energy: 0.8535463038835647
Energy: 0.7823896844735547
Energy: 0.7932068655421218
Energy: 1.0453778965919946
Energy: 0.7815301818095864
Energy: 0.7823896844735547
Energy: 0.7932068655517595
Energy: 1.0453778965952072
Energy: 0.8287184424070901
Energy: 0.8430298138003846
Energy: 0.8384265635328109
Energy: 0.7856673099355136
Energy: 0.8287184423974523
Energy: 0.8430298138003846
Energy: 0.8384265635328109
Energy: 0.7851626510440571
Energy: 0.792615872088056
Energy: 0.7859716575277271
Energy: 0.8004716963159079
Energy: 0.7851626510472698
Energy: 0.792615872088056
Energy: 0.7859716575309399
Energy: 0.7925777985160001
Energy: 0.7963511143937498
Energy: 0.779315401690115
Energy: 0.7867301500092998
Energy: 0.7925777985160001
Energy: 0.7963511143873246
Energy: 0.7793154016772648
Energy: 0.7860822709384848
Energy: 0.7820211587636576
Energy: 0.9018229378719685
Energy: 0.7845286849472316
Energy: 0.7860822709384848
Energy: 0.7820211587572324
Energy: 0.9018229378719685
Energy: 0.7724972284881438
Energy: 0.7998967182005704
Energy: 0.7801184900707376
Energy: 0.8366156552932471
Energy: 0.7724972284881438
Energy: 0.7998967182037829
Energy: 0.7801184900771627
Energy: 0.7576211683214301
Energy: 0.8059048418396113
Energy: 1.0119111173604982
Energy: 0.7804495579318941
Energy: 0.7576211683214301
Energy: 0.8059048418363987
Energy: 1.011911117331585
Energy: 0.7742206288808424
Energy: 0.8124111646782286
Energy: 0.7979986978430411
Energy: 0.8069144080363051
Energy: 0.7742206288840551
Energy: 0.8124111646782286
Energy: 0.7979986978462537
Energy: 0.7569272688460192
Energy: 0.7898929190226136
Energy: 0.7357192489576452
Energy: 0.7874725278147974
Energy: 0.7569272688428067
Energy: 0.7898929190290387
Energy: 0.7357192489512199
Energy: 0.7823500486267161
Energy: 0.8576440532819033
Energy: 0.8296715638882994
Energy: 0.8392245650675855
Energy: 0.7823500486106533
Energy: 0.8576440532786908
Energy: 0.829671563891512
Energy: 0.78607717414524
Energy: 0.7729848085526285
Energy: 0.7329113183285166
Energy: 0.7623246554605719
Energy: 0.78607717414524
Energy: 0.772984808549416
Energy: 0.7329113183124537
Energy: 0.8119271959120496
Energy: 0.8014495670569486
Energy: 0.9986960356520808
Energy: 0.863706807673421
Energy: 0.8119271959088371
Energy: 0.8014495670665864
Energy: 0.9986960356456556
Energy: 0.82786151828789
Energy: 0.7981917480939813
Energy: 0.7489302689119068
Energy: 0.7788383140694796
Energy: 0.8278615182846775
Energy: 0.7981917481004065
Energy: 0.7489302689119068
Energy: 0.7882146312593228
Energy: 0.7898739613403564
Energy: 0.954553078892862
Energy: 0.817499693941182
Energy: 0.7882146312689605
Energy: 0.7898739613435106
Energy: 0.9545530788800118
Energy: 0.8276873965892175
Energy: 0.7982517562042982
Energy: 0.7468328249807403
Energy: 0.7847535912927112
Energy: 0.827687396586005
Energy: 0.7982517562075107
Energy: 0.7468328249839531
Energy: 0.791244533498568
Energy: 0.7878617934919793
Energy: 0.925980317980724
Energy: 0.935908304780769
Energy: 0.7912445335017807
Energy: 0.787861793495192
Energy: 0.925980317980724
Energy: 0.7934881129764676
Energy: 0.8436741412501491
Energy: 0.7175286832404028
Energy: 0.7855120750639666
Energy: 0.7934881129668299
Energy: 0.8436741412469366
Energy: 0.7175286832436152
Energy: 0.7920547837958107
Energy: 0.834386142262635
Energy: 1.0485064183918489
Energy: 1.0162460504447346
Energy: 0.7920547837925983
Energy: 0.834386142262635
Energy: 1.0485064183918489
Energy: 0.8398348552798236
Energy: 0.7606917866588628
Energy: 0.8741293690999753
Energy: 0.7310096582234685
Energy: 0.8398348552830361
Energy: 0.7606917866652881
Energy: 0.8741293690967626
Energy: 0.8978993196096571
Energy: 0.8363140886722717
Energy: 0.8086133868248069
Energy: 0.8797933329751821
Energy: 0.8978993190188331
Energy: 0.8363140886754844
Energy: 0.8086133868183819
Energy: 0.8698127771236956
Energy: 0.8839459517907442
Energy: 0.8440410175326181
Energy: 0.8190339006279419
Energy: 0.8698127771269082
Energy: 0.8839459517939567
Energy: 0.8440410175294056
Energy: -0.4184412663322894
Energy: 0.8520811855953113
Energy: 0.8710100078153773
Energy: 1.0155968252801533
Energy: -0.4184412689942977
Energy: 0.8520811855888861
Energy: 0.8710100078121649
Energy: 0.8703593760071773
Energy: 0.8593198568757269
Energy: 0.8177644653019555
Energy: 0.7253225078230802
Energy: 0.8703593760071773
Energy: 0.8593198568757269
Energy: 0.8177644653019555
Energy: 0.7881450782281689
Energy: 0.8474818864815076
Energy: 0.9222473377418064
Energy: 0.7251951166669304
Energy: 0.7881450782281689
Energy: 0.8474818864815076
Energy: 0.9222473377385939
Energy: 0.8705693282416788
Energy: 0.8453516301069361
Energy: 0.760076507229553
Energy: 0.793211135661244
Energy: 0.8705693282480454
Energy: 0.8453516301133613
Energy: 0.7600765072134901
Energy: 0.7762434987252321
Energy: 0.7729174038909312
Energy: 0.8669696106007632
Energy: 0.8732671768188944
Energy: 0.7762434987220195
Energy: 0.772917403884506
Energy: 0.8669696105269322
Energy: 0.9094331055297905
Energy: 0.7828103798032826
Energy: 0.8182454592806861
Energy: 0.789264321705903
Energy: 0.9094331055362157
Energy: 0.7828103797968575
Energy: 0.8182454592838988
Energy: 0.9613889009797688
Energy: 0.7667953761926846
Energy: 1.0285264904534501
Energy: 0.840147815446825
Energy: 0.9613889009797688
Energy: 0.7667953761894721
Energy: 1.0285264904470248
Energy: 0.910019440648908
Energy: 0.8570400117536124
Energy: 0.8785558243685536
Energy: 0.8421739332450201
Energy: 0.9100194406521206
Energy: 0.8570400117568252
Energy: 0.878555824365341
Energy: 0.9612738263696934
Energy: 0.8265910659622517
Energy: 0.8334530433200794
Energy: 0.843866029408144
Energy: 0.9612738263664807
Energy: 0.8265910659558849
Energy: 0.8334530433040165
Energy: 0.8089986254112996
Energy: 0.8577753749633911
Energy: 0.7696869922190412
Energy: 0.8432275248379444
Energy: 0.8089986254112996
Energy: 0.8577753749633911
Energy: 0.7696869922254663
Energy: 0.9606955419651636
Energy: 0.9194983584019214
Energy: 0.7613418725959684
Energy: 0.9040027915050737
Energy: 0.9606955419683764
Energy: 0.9194983583954962
Energy: 0.7613418727340511
Energy: 0.8093074891498728
Energy: 0.8364699705982713
Energy: 0.7703807683056323
Energy: 0.8553813478714816
Energy: 0.8093074891466602
Energy: 0.8364699705950589
Energy: 0.7703807683056323
Energy: 0.8409994761649652
Energy: 0.9175056710978786
Energy: 0.8014568935720567
Energy: 0.9051588481660344
Energy: 0.8409994761617525
Energy: 0.9175056710882408
Energy: 0.8014568935720567
Energy: 0.8090880258482537
Energy: 0.875808616109944
Energy: 0.9379352995043189
Energy: 0.8101751001736939
Energy: 0.8090880258482537
Energy: 0.8758086161131564
Energy: 0.9379352995043189
Energy: 0.753770841397984
Energy: 0.9179536925696047
Energy: 0.7155293563921602
Energy: 0.9044547713717416
Energy: 0.753770841397984
Energy: 0.9179536925760299
Energy: 0.7155293559618486
Energy: 0.8807034317531102
Energy: 0.8743946416651395
Energy: 0.9575524734325982
Energy: 0.8407863718590135
Energy: 0.8807034317531102
Energy: 0.8743946416683519
Energy: 0.9575524734518738
Energy: 0.7845061137736397
Energy: 0.9176409395241816
Energy: 0.8370497621693282
Energy: 0.898541258433294
Energy: 0.7845061137800649
Energy: 0.9176409395241816
Energy: 0.8370497621564779

minimum gb energy = -0.9067061285174385 eV
minimum distance =  2.22764778422805 Angstroms
sigma value = 365


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

Energy: 0.7803080165381374
Energy: 0.4701261027044154
Energy: -0.023714068290147116
Energy: 0.4701261027036911
Energy: 0.7803080165403103
Energy: 0.4701261027022424
Energy: 0.394803342608171
Energy: 0.7803080165410348
Energy: 0.47012610270296673
Energy: 1.4592893646773786
Energy: 0.4701261027015181
Energy: 0.7803080165403103
Energy: 0.4701261027044154
Energy: -0.023754021454465795
Energy: 0.7803080165395861
Energy: 0.4701261027015181
Energy: -0.02368873017296289
Energy: 0.47012610270296673
Energy: 0.7803080165417591
Energy: 0.4701261027036911
Energy: 1.1329332426547398
Energy: 0.7803080165388618
Energy: 0.4701261027022424
Energy: -0.0348556179459556
Energy: 0.4701261027036911
Energy: 0.7803080165403103
Energy: 0.47012610270296673
Energy: 0.3947903399523318
Energy: 0.7803080165410348
Energy: 0.47012610270296673
Energy: 1.4592893646781029
Energy: 0.47012610270006944
Energy: 0.7803080165395861
Energy: 0.4701261027015181
Energy: -0.023819214774899383
Energy: 0.7803080165395861
Energy: 0.4701261027036911
Energy: -0.03494203435775486
Energy: 0.47012610270296673
Energy: 0.7803080165410348
Energy: 0.4701261027036911
Energy: 0.6663655840352652
Energy: 0.7803080165381374
Energy: 0.4701261027036911
Energy: 0.274024893383285
Energy: 0.47012610270296673
Energy: 0.7803080165403103
Energy: 0.4701261027022424
Energy: 0.3947778399237152
Energy: 0.7803080165410348
Energy: 0.47012610270296673
Energy: 1.4592893646773786
Energy: 0.4701261027015181
Energy: 0.7803080165403103
Energy: 0.4701261027044154
Energy: 0.2740253756568116
Energy: 0.7803080165395861
Energy: 0.4701261027022424
Energy: -0.0235711442190256
Energy: 0.4701261027022424
Energy: 0.7803080165410348
Energy: 0.4701261027036911
Energy: 0.6663719929769109
Energy: 0.7803080165388618
Energy: 0.4701261027044154
Energy: 0.3947040317453998
Energy: 0.4701261027036911
Energy: 0.7803080165395861
Energy: 0.47012610270296673
Energy: 0.39474177078985745
Energy: 0.7803080165417591
Energy: 0.47012610270296673
Energy: 1.4592893646781029
Energy: 0.4701261027022424
Energy: 0.7803080165395861
Energy: 0.47012610270296673
Energy: 0.6663854577509452
Energy: 0.7803080165403103
Energy: 0.4701261027022424
Energy: 1.1329332428994605
Energy: 0.47012610270296673
Energy: 0.7803080165410348
Energy: 0.4701261027036911
Energy: 0.39477469551779604
Energy: 0.7803080165381374
Energy: 0.4701261027044154
Energy: 0.3946789945514975
Energy: 0.47012610270296673
Energy: 0.7803080165403103
Energy: 0.4701261027022424
Energy: 0.3947220791274388
Energy: 0.7803080165410348
Energy: 0.47012610270296673
Energy: -0.035359654970517414
Energy: 0.4701261027007938
Energy: 0.7803080165403103
Energy: 0.4701261027044154
Energy: 0.39470199344156653
Energy: 0.7803080165395861
Energy: 0.4701261027022424
Energy: -0.03483878379068132
Energy: 0.47012610270296673
Energy: 0.7803080165410348
Energy: 0.47012610270296673
Energy: 0.39476050405777685
Energy: 0.7803080165388618
Energy: 0.4701261027036911
Energy: 0.39468099060290296
Energy: 0.4701261027036911
Energy: 0.7803080165395861
Energy: 0.4701261027036911
Energy: 0.394725700409465
Energy: 0.7803080165410348
Energy: 0.47012610270296673
Energy: 1.1329332430717824
Energy: 0.4701261027007938
Energy: 0.7803080165395861
Energy: 0.4701261027036911
Energy: 0.3946885136062299
Energy: 0.7803080165403103
Energy: 0.47012610270296673
Energy: 0.6661847906459382
Energy: 0.4701261027022424
Energy: 0.7803080165410348
Energy: 0.4701261027036911
Energy: 0.3947195494733217
Energy: 0.7803080165381374
Energy: 0.4701261027044154
Energy: 0.3946233031350673
Energy: 0.47012610270296673
Energy: 0.7803080165403103
Energy: 0.47012610270296673
Energy: 0.39467913110373204
Energy: 0.7803080165410348
Energy: 0.47012610270296673
Energy: 0.27402502174496535
Energy: 0.4701261027015181
Energy: 0.7803080165403103
Energy: 0.47012610270296673
Energy: 0.3946707488463293

minimum gb energy = -0.035359654970517414 eV
minimum distance =  2.42062650541098 Angstroms
sigma value = 23