Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.302443556487561
cohesive_energy=7.4705874115574415
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: 0.021184414057933684
Energy: 0.23048582219157274
Energy: 0.02118441405762686
Energy: 0.23048582219157274
Energy: 0.021184414057933684
Energy: 0.2304858221912659
Energy: 0.02118441405762686
Energy: 0.022040569484211132
Energy: 0.7872169743270905
Energy: 0.022040569484517953
Energy: 0.7872169743273972
Energy: 0.022040569484211132
Energy: 0.7872169743270905
Energy: 0.022040569484517953
Energy: 0.6558461992187512
Energy: 0.7267010444587793
Energy: 0.6558461992184446
Energy: 0.7267010444587793
Energy: 0.6558461992184446
Energy: 0.7267010444587793
Energy: 0.6558461992184446
Energy: 0.022040569484211132
Energy: 0.7872169743273972
Energy: 0.022040569484211132
Energy: 0.7872169743273972
Energy: 0.022040569484211132
Energy: 0.7872169743273972
Energy: 0.022040569484211132
Energy: 0.021184414057933684
Energy: 0.23048582219187957
Energy: 0.02118441405762686
Energy: 0.2304858221912659
Energy: 0.021184414057933684
Energy: 0.23048582219187957
Energy: 0.02118441405762686
Energy: 0.0220405694839384
Energy: 0.7872169743273972
Energy: 0.0220405694839384
Energy: 0.7872169743270905
Energy: 0.022040569484211132
Energy: 0.7872169743273972
Energy: 0.022040569484211132

minimum gb energy = 0.02118441405762686 eV
minimum distance =  2.85550732627403 Angstroms
sigma value = 5


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

Energy: 1.7497506917635228
Energy: 1.715347104482933
Energy: 1.7497506917635228
Energy: 1.715347104482933
Energy: 1.7497506917635228
Energy: 1.715347104486598
Energy: 1.7497506917598575
Energy: 1.674047517549845
Energy: 1.6216377247685927
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Energy: 1.621637724710017
Energy: 1.6740475175461798
Energy: 1.6216377247210125
Energy: 1.6740475175461798
Energy: 1.5372527304834012
Energy: 1.5863882340851785
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Energy: 1.5863882340851785
Energy: 1.5372527304834012
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Energy: 1.637039479093037
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Energy: 1.637039479093037
Energy: 1.5380886735973365
Energy: 1.637039479093037
Energy: 1.5380886735973365
Energy: 1.5416957751532254
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Energy: 1.5416957751568907
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Energy: 1.5416957751532254
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Energy: 1.6077961825808447
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Energy: 1.6661800323168496
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Energy: 1.651047033672201
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Energy: 1.6360951747216972
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Energy: 1.5828356021904775
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Energy: 1.6430008455883833
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Energy: 1.6470394663290433
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Energy: 1.542095726687176
Energy: 1.5218947131156098
Energy: 1.542095726690841
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Energy: 1.542095726687176
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Energy: 1.6105234489232514
Energy: 1.6789920258002522
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Energy: 1.6789920258039173
Energy: 1.610523448805967
Energy: 1.6789920258002522
Energy: 1.6120963726835265
Energy: 1.5798177185032067
Energy: 1.6120963726835265
Energy: 1.5798177185068718
Energy: 1.6120963726798614
Energy: 1.5798177185032067
Energy: 1.6120963726798614
Energy: 1.5844520798769426
Energy: 1.6755691157714012
Energy: 1.5844520799575093
Energy: 1.6755691157749995
Energy: 1.5844520798732777
Energy: 1.6755691157749995
Energy: 1.5844520800417408
Energy: 1.5690779191979067
Energy: 1.6335113732444264
Energy: 1.5690779191979067
Energy: 1.6335113732444264
Energy: 1.5690779191979067
Energy: 1.6335113732480915
Energy: 1.5690779191979067
Energy: 1.5344815358423456
Energy: 1.6009167151374588
Energy: 1.5344815358386803
Energy: 1.6009167151374588
Energy: 1.5344815358423456
Energy: 1.6009167151338604
Energy: 1.5344815358386803
Energy: 1.5320551729673284
Energy: 1.60021043221523
Energy: 1.5320551729673284
Energy: 1.60021043221523
Energy: 1.5320551729673284
Energy: 1.60021043221523
Energy: 1.5320551729673284
Energy: 1.5654513006106638
Energy: 1.6207622843649496
Energy: 1.5654513006069988
Energy: 1.620762284368615
Energy: 1.5654513006069988
Energy: 1.6207622843649496
Energy: 1.5654513006033337

minimum gb energy = 1.5164779392057934 eV
minimum distance =  2.64632409011673 Angstroms
sigma value = 401


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

Energy: 1.7800903466432265
Energy: 1.7269271476645864
Energy: 1.7800903466440585
Energy: 1.7269271476658723
Energy: 1.7800903466436802
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Energy: 1.655371088558043
Energy: 1.6610425320122824
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Energy: 1.6555573223388858
Energy: 1.6602686509774904
Energy: 1.6555573223385076
Energy: 1.6510611059287492
Energy: 1.71650785131475
Energy: 1.651061105927917
Energy: 1.7165078513168681
Energy: 1.651061105927085
Energy: 1.7165078513155823
Energy: 1.651061105925799
Energy: 1.6519580017341202
Energy: 1.7161894460417648
Energy: 1.6519580017329099
Energy: 1.7161894460388145
Energy: 1.6519580017316242
Energy: 1.7161894460392684
Energy: 1.6519580017312459
Energy: 1.5755851850952944
Energy: 1.6593047885642558
Energy: 1.5755851850961267
Energy: 1.659304788565088
Energy: 1.5755851850961267
Energy: 1.6593047885638021
Energy: 1.5755851850952944
Energy: 1.5770929214442702
Energy: 1.696590226994342
Energy: 1.577092921444648
Energy: 1.6965902269964601
Energy: 1.577092921444648
Energy: 1.6965902269951743
Energy: 1.5770929214442702
Energy: 1.585483606054842
Energy: 1.5906071397467205
Energy: 1.5854836060540103
Energy: 1.5906071397458885
Energy: 1.5854836060540103
Energy: 1.590607139743392
Energy: 1.585483606054842
Energy: 1.5907732972832553
Energy: 1.6208216607643284
Energy: 1.5907732972828017
Energy: 1.6208216607630426
Energy: 1.5907732972840876
Energy: 1.6208216607638746
Energy: 1.5907732972828017
Energy: 1.7433594931683583
Energy: 1.6648345619865426
Energy: 1.7433594931700225
Energy: 1.6648345619878284
Energy: 1.7433594931700225
Energy: 1.6648345619857106
Energy: 1.7433594931687366
Energy: 1.5300106846560269
Energy: 1.6432590382367562
Energy: 1.530010684658145
Energy: 1.6432590382359242
Energy: 1.530010684656859
Energy: 1.6432590382335035
Energy: 1.530010684658145

minimum gb energy = 1.5300106846548165 eV
minimum distance =  2.66556265357115 Angstroms
sigma value = 311


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

Energy: 1.6324499527349081
Energy: 1.6741996292953283
Energy: 1.6324499527339473
Energy: 1.6741996292948478
Energy: 1.6324499527344278
Energy: 1.6741996292953283
Energy: 1.6324499527344278
Energy: 1.6448086547551857
Energy: 1.5896842647737954
Energy: 1.6448086547547052
Energy: 1.5896842647757174
Energy: 1.6448086547556662
Energy: 1.5896842647761975
Energy: 1.6448086547542249
Energy: 1.6203133690594813
Energy: 1.6540376027416888
Energy: 1.620313369059001
Energy: 1.6540376027416888
Energy: 1.6203133690594813
Energy: 1.6540376027412085
Energy: 1.620313369059001
Energy: 1.7462005838744707
Energy: 1.6600393951596377
Energy: 1.7462005838754318
Energy: 1.6600393951605983
Energy: 1.7462005838763925
Energy: 1.6600393951596377
Energy: 1.7462005838754318
Energy: 1.7850085102113897
Energy: 1.6931714216296714
Energy: 1.7850085102109092
Energy: 1.6931714216296714
Energy: 1.7850085102123505
Energy: 1.6931714216296714
Energy: 1.7850085102109092
Energy: 1.4991143436802068
Energy: 1.7092802855010825
Energy: 1.4991143436806873
Energy: 1.709280285500122
Energy: 1.4991143436802068
Energy: 1.7092802854996414
Energy: 1.4991143436797267
Energy: 1.522749221901146
Energy: 1.6564484055777036
Energy: 1.522749221901146
Energy: 1.6564484055777036
Energy: 1.522749221901146
Energy: 1.656448405578184
Energy: 1.5227492219016265
Energy: 1.697094413811639
Energy: 1.6474401827336334
Energy: 1.6970944138106783
Energy: 1.6474401827336334
Energy: 1.6970944138111586
Energy: 1.6474401827341139
Energy: 1.6970944138106783
Energy: 1.6969161488425542
Energy: 1.647382995564646
Energy: 1.6969161488415931
Energy: 1.6473829955641657
Energy: 1.6969161488425542
Energy: 1.647382995564646
Energy: 1.6969161488415931
Energy: 1.6144945874771481
Energy: 1.7270242932269284
Energy: 1.6144945874771481
Energy: 1.7270242932269284
Energy: 1.6144945874771481
Energy: 1.7270242932274087
Energy: 1.6144945874776286
Energy: 1.6237586062641949
Energy: 1.7507405410501333
Energy: 1.6237586062632343
Energy: 1.7507405410501333
Energy: 1.6237586062632343
Energy: 1.7507405410510943
Energy: 1.6237586062622733
Energy: 1.696695870225103
Energy: 1.7084593960707295
Energy: 1.696695870225103
Energy: 1.708459396072171
Energy: 1.6966958702246226
Energy: 1.7084593960707295
Energy: 1.6966958702246226
Energy: 1.6654991699286135
Energy: 1.6606849311348322
Energy: 1.665499169927172
Energy: 1.6606849311343517
Energy: 1.6654991699276525
Energy: 1.6606849311343517
Energy: 1.6654991699276525
Energy: 1.4944077038473464
Energy: 1.5025153499822548
Energy: 1.4944077038463854
Energy: 1.5025153499817743
Energy: 1.4944077038463854
Energy: 1.5025153499822548
Energy: 1.494407703845905
Energy: 1.6452425689170809
Energy: 1.7451720658773444
Energy: 1.6452425689161199
Energy: 1.745172065876864
Energy: 1.6452425689166004
Energy: 1.745172065876864
Energy: 1.6452425689156398
Energy: 1.618688622212903
Energy: 1.6560860097576895
Energy: 1.6186886222124228
Energy: 1.656086009757209
Energy: 1.618688622212903
Energy: 1.6560860097576895
Energy: 1.618688622212903
Energy: 1.61966366796796
Energy: 1.6545574156576708
Energy: 1.6196636679684404
Energy: 1.6545574156581513
Energy: 1.619663667966999
Energy: 1.6545574156576708
Energy: 1.619663667966999
Energy: 1.6616559692775568
Energy: 1.6372772944873122
Energy: 1.6616559692775568
Energy: 1.6372772944868317
Energy: 1.6616559692780373
Energy: 1.6372772944868317
Energy: 1.6616559692780373
Energy: 1.7452591750241766
Energy: 1.7631314131319062
Energy: 1.7555923173462173
Energy: 1.7631314131309455
Energy: 1.7555923173457368
Energy: 1.7631314131309455
Energy: 1.7555923173452563
Energy: 1.7319067079006425
Energy: 1.8167194343094797
Energy: 1.731906707900162
Energy: 1.8167194343099602
Energy: 1.7319067079011226
Energy: 1.8167194343094797
Energy: 1.7319067079006425
Energy: 1.498432382912446
Energy: 1.5178525106703806
Energy: 1.4984323829134065
Energy: 1.5178525106699006
Energy: 1.498432382912446
Energy: 1.5178525106703806
Energy: 1.4984323829110044
Energy: 1.522469605243675
Energy: 1.6701498616534318
Energy: 1.5224696052441555
Energy: 1.6701498616534318
Energy: 1.522469605243675
Energy: 1.6701498616534318
Energy: 1.5224696052441555
Energy: 1.6966467944703378
Energy: 1.6566663576498375
Energy: 1.6966467944698573
Energy: 1.656666357649357
Energy: 1.6966467944703378
Energy: 1.6566663576498375
Energy: 1.7123001253069048
Energy: 1.6722175618198007
Energy: 1.7504923002728958
Energy: 1.6722175618202813
Energy: 1.7504923002728958
Energy: 1.6722175618207613
Energy: 1.7504923002733763
Energy: 1.6722175618202813
Energy: 1.6070916194586387
Energy: 1.6340202177123786
Energy: 1.6070916194586387
Energy: 1.6340202177114176
Energy: 1.607091619457678
Energy: 1.634020217710457
Energy: 1.6070916194581581
Energy: 1.7449651297583353
Energy: 1.7266775762187823
Energy: 1.7449651297588158
Energy: 1.726677576218302
Energy: 1.7449651297583353
Energy: 1.726677576219743
Energy: 1.7449651297578552
Energy: 1.6904640599380427
Energy: 1.6576714209089636
Energy: 1.6904640599380427
Energy: 1.6576714209099246
Energy: 1.7626312998793245
Energy: 1.6576714209089636
Energy: 1.762631299879805
Energy: 1.6345372219736187
Energy: 1.7089039584890602
Energy: 1.6345372219750598
Energy: 1.7089039584880992
Energy: 1.6345372219750598
Energy: 1.7089039584880992
Energy: 1.6345372219736187
Energy: 1.48845922895322
Energy: 1.5056536260002782
Energy: 1.4884592289527394
Energy: 1.5056536260012388
Energy: 1.48845922895322
Energy: 1.5056536260017193
Energy: 1.4884592289541807
Energy: 1.6721008933217607
Energy: 1.7214465913402148
Energy: 1.6721008933227217
Energy: 1.721446591340695
Energy: 1.6721008933207997
Energy: 1.721446591340695
Energy: 1.6721008933227217
Energy: 1.632749077884367
Energy: 1.6565469424432508
Energy: 1.6327490778853275
Energy: 1.6565469424427703
Energy: 1.6327490778838865
Energy: 1.6565469424432508
Energy: 1.7195567817403672
Energy: 1.619480566618875
Energy: 1.7365724292044602
Energy: 1.619480566618875
Energy: 1.7365724292039797
Energy: 1.6194805666183945
Energy: 1.7365724292049405
Energy: 1.619480566617914
Energy: 1.6209048257038838
Energy: 1.652593174407578
Energy: 1.6209048257034033
Energy: 1.6525931744080584
Energy: 1.6209048257038838
Energy: 1.6525931744080584
Energy: 1.6209048257038838
Energy: 1.6973920352293002
Energy: 1.7624086005519355
Energy: 1.6973920352288197
Energy: 1.762408600550975
Energy: 1.6973920352288197
Energy: 1.7624086005514552
Energy: 1.6973920352288197
Energy: 1.8363391101960116
Energy: 1.7746120808924657
Energy: 1.7642474731075453
Energy: 1.774612080892946
Energy: 1.7748998086994636
Energy: 1.774612080892946
Energy: 1.7833312196768787
Energy: 1.5062908749687198
Energy: 1.5174094280233985
Energy: 1.5062908749687198
Energy: 1.517409428022918
Energy: 1.5062908749687198
Energy: 1.517409428022918
Energy: 1.5062908749692

minimum gb energy = 1.4884592289527394 eV
minimum distance =  2.67020501968028 Angstroms
sigma value = 39


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

Energy: 1.6111972904526162
Energy: 1.6628161105042139
Energy: 1.6111972904548841
Energy: 1.662816110504781
Energy: 1.6111972904537502
Energy: 1.6628161105053476
Energy: 1.6111972904537502
Energy: 1.6566228389265722
Energy: 1.4843731489950434
Energy: 1.6566228389265722
Energy: 1.4843731489944763
Energy: 1.6566228389265722
Energy: 1.4843731489950434
Energy: 1.6566228389265722
Energy: 1.567388112815907
Energy: 1.5210309367083974
Energy: 1.5673881128153402
Energy: 1.5210309367066965
Energy: 1.567388112815907
Energy: 1.5210309367072636
Energy: 1.5673881128147733
Energy: 1.6789360996553546
Energy: 1.4839150239240197
Energy: 1.6789360996536538
Energy: 1.4839150239240197
Energy: 1.6789360996530867
Energy: 1.4839150239234526
Energy: 1.6789360996547877
Energy: 1.6585248010825242
Energy: 1.4858636812967747
Energy: 1.6585248010819573
Energy: 1.4858636812967747
Energy: 1.6585248010836582
Energy: 1.4858636812962076
Energy: 1.6585248010836582
Energy: 1.6790002651020473
Energy: 1.5537856893852877
Energy: 1.6790002651031808
Energy: 1.553785689386422
Energy: 1.6790002651031808
Energy: 1.553785689386989
Energy: 1.679000265102614
Energy: 1.7232736850398105
Energy: 1.609025356999951
Energy: 1.6830385584315373
Energy: 1.6090253570005182
Energy: 1.650339984276904
Energy: 1.6090253569993842
Energy: 1.5905333476513184
Energy: 1.6515319541977935
Energy: 1.5647226841895845
Energy: 1.6515319541994946
Energy: 1.5647226841895845
Energy: 1.6515319541983604
Energy: 1.5647226841890174
Energy: 1.6515319541989273
Energy: 1.6813078742792038
Energy: 1.5653683540274455
Energy: 1.6813078742797707
Energy: 1.5653683540280123
Energy: 1.681307874278637
Energy: 1.5653683540280123
Energy: 1.6813078742797707
Energy: 1.5690854022418976
Energy: 1.6306532732950068
Energy: 1.5690854022430314
Energy: 1.6306532732950068
Energy: 1.5690854022418976
Energy: 1.6306532732944397
Energy: 1.5690854022418976
Energy: 1.6404383340524435
Energy: 1.614700581773814
Energy: 1.6478353402136332
Energy: 1.614700581773814
Energy: 1.5869594678625691
Energy: 1.614700581787421
Energy: 1.5869594678478285
Energy: 1.5715392110543973
Energy: 1.4843013228906905
Energy: 1.571539211053263
Energy: 1.4843013228912574
Energy: 1.57153921105383
Energy: 1.4843013228912574
Energy: 1.5715392110549642
Energy: 1.6298050873663112
Energy: 1.5116270675141859
Energy: 1.6298050873640433
Energy: 1.5116270675147527
Energy: 1.6298050873657441
Energy: 1.5116270675147527
Energy: 1.6298050873651773
Energy: 1.5697028580454038
Energy: 1.4843427413949979
Energy: 1.5697028580448367
Energy: 1.4843427413955648
Energy: 1.5697028580442698
Energy: 1.4843427413955648
Energy: 1.5697028580448367
Energy: 1.6422270002085482
Energy: 1.5772192817016244
Energy: 1.6422270002085482
Energy: 1.5772192817010573
Energy: 1.6498417415633595
Energy: 1.5772192817004906
Energy: 1.5785441522345738
Energy: 1.5697152090423794
Energy: 1.5537664096809107
Energy: 1.5697152090429465
Energy: 1.5537664096820445
Energy: 1.5697152090429465
Energy: 1.5537664096854464
Energy: 1.5697152090423794
Energy: 1.6875973784327047
Energy: 1.5651715293021817
Energy: 1.6875973784321379
Energy: 1.5651715293016149
Energy: 1.687597378433272
Energy: 1.565171529301048
Energy: 1.6875973784321379
Energy: 1.6595895635508227
Energy: 1.5642632916500219
Energy: 1.6595895635491222
Energy: 1.5642632916500219
Energy: 1.659589563550256
Energy: 1.5642632916494548
Energy: 1.6595895635508227
Energy: 1.655592336239972
Energy: 1.599140108995691
Energy: 1.655592336239972
Energy: 1.599140108995691
Energy: 1.655592336240539
Energy: 1.599140108995691
Energy: 1.655592336239405
Energy: 1.5695318253223123
Energy: 1.6240591617572684
Energy: 1.56953182532458
Energy: 1.6240591617572684
Energy: 1.569531825323446
Energy: 1.6240591617572684
Energy: 1.569531825321745
Energy: 1.672199438705166
Energy: 1.4852560460277824
Energy: 1.672199438705166
Energy: 1.4852560460294828
Energy: 1.672199438705166
Energy: 1.4852560460289161
Energy: 1.672199438705166
Energy: 1.5863263853177245
Energy: 1.4836561826360686
Energy: 1.5863263853199923
Energy: 1.4836561826343675
Energy: 1.5863263853199923
Energy: 1.4836561826360686
Energy: 1.5863263853194254
Energy: 1.793884559192353
Energy: 1.5285282146815373
Energy: 1.7938845591940535
Energy: 1.5285282146815373
Energy: 1.7938845591929198
Energy: 1.528528214682671
Energy: 1.793884559192353
Energy: 1.656099198799491
Energy: 1.4835676096562718
Energy: 1.656099198799491
Energy: 1.4835676096568386
Energy: 1.656099198798924
Energy: 1.4835676096557049
Energy: 1.656099198798924
Energy: 1.6796455564296056
Energy: 1.5564980151682073
Energy: 1.6796455564290385
Energy: 1.5564980151665062
Energy: 1.6796455564296056
Energy: 1.5564980151670733
Energy: 1.6796455564290385
Energy: 1.6571979293136336
Energy: 1.55579708514115
Energy: 1.6571979293136336
Energy: 1.5557970851405831
Energy: 1.6571979293142005
Energy: 1.5557970851405831
Energy: 1.6571979293130665
Energy: 1.644732953514491
Energy: 1.6111454729700503
Energy: 1.6447329535127901
Energy: 1.6111454729694834
Energy: 1.6447329535133568
Energy: 1.6111454729694834
Energy: 1.644732953513924
Energy: 1.656524447707348
Energy: 1.5671919135829055
Energy: 1.6565244477084817
Energy: 1.5671919135840395
Energy: 1.656524447707348
Energy: 1.5671919135840395
Energy: 1.6565244477084817
Energy: 1.6111972904537502
Energy: 1.66281611050308
Energy: 1.6111972904554508
Energy: 1.662816110503647
Energy: 1.6111972904526162
Energy: 1.662816110504781
Energy: 1.6111972904548841
Energy: 1.6566228389271391
Energy: 1.4843731489944763
Energy: 1.6566228389265722
Energy: 1.4843731489944763
Energy: 1.6566228389271391
Energy: 1.4843731489944763
Energy: 1.6566228389271391

minimum gb energy = 1.4835676096557049 eV
minimum distance =  2.61182236382417 Angstroms
sigma value = 21


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

Energy: 1.5445172476558018
Energy: 1.6618606425118592
Energy: 1.5445172476558018
Energy: 1.6618606425118592
Energy: 1.5445172476558018
Energy: 1.6618606425118592
Energy: 1.5445172476558018
Energy: 1.476549832654753
Energy: 1.5596188164377498
Energy: 1.476549832654065
Energy: 1.5596188164370612
Energy: 1.476549832654753
Energy: 1.5596188164363731
Energy: 1.476549832654753
Energy: 1.5554352831268674
Energy: 1.4802826585530129
Energy: 1.555435283126179
Energy: 1.480282658553701
Energy: 1.555435283126179
Energy: 1.4802826585530129
Energy: 1.5554352831268674
Energy: 1.4426658040162874
Energy: 1.544989218531146
Energy: 1.4426658040169755
Energy: 1.5449892185318341
Energy: 1.4426658040169755
Energy: 1.5449892185318341
Energy: 1.4426658040169755
Energy: 1.3691261465521478
Energy: 1.4268950575929658
Energy: 1.3691261465521478
Energy: 1.4268950575929658
Energy: 1.3691261465521478
Energy: 1.4268950575936539
Energy: 1.3691261465514595
Energy: 1.4101365607197718
Energy: 1.4823138658149988
Energy: 1.41013656072046
Energy: 1.4823138658156871
Energy: 1.41013656072046
Energy: 1.4823138658143107
Energy: 1.41013656072046
Energy: 1.311872257569848
Energy: 1.576949554273201
Energy: 1.31187225756916
Energy: 1.5769495539374565
Energy: 1.3118722575684716
Energy: 1.5769495539195932
Energy: 1.31187225756916
Energy: 1.3357228223051634
Energy: 1.5120709292374062
Energy: 1.3357228223051634
Energy: 1.5120709292367178
Energy: 1.3357228223065398
Energy: 1.5120709292367178
Energy: 1.3357228223065398
Energy: 1.4099490592306492
Energy: 1.3827601487238628
Energy: 1.4099490592306492
Energy: 1.3827601487245509
Energy: 1.4099490592306492
Energy: 1.3827601487245509
Energy: 1.4099490592306492
Energy: 1.5232469368295998
Energy: 1.9779416120894509
Energy: 1.5232469368302883
Energy: 1.977941612090139
Energy: 1.5232469368309765
Energy: 1.977941612090139
Energy: 1.5232469368302883
Energy: 1.4173466791848095
Energy: 1.4512028968212631
Energy: 1.4173466791854976
Energy: 1.451202896820575
Energy: 1.4173466791848095
Energy: 1.4512028968212631
Energy: 1.4173466791854976
Energy: 1.4238644062934303
Energy: 1.4792017297438715
Energy: 1.4238644062941184
Energy: 1.4792017297438715
Energy: 1.4238644062941184
Energy: 1.4792017297438715
Energy: 1.4238644062948065
Energy: 1.5209595999846044
Energy: 1.5079483570163545
Energy: 1.5209595999846044
Energy: 1.5079483570149776
Energy: 1.520959599985293
Energy: 1.5079483570156658
Energy: 1.5209595999846044
Energy: 1.4932271891872064
Energy: 1.8052840923675932
Energy: 1.4932271891878945
Energy: 1.8052840923682814
Energy: 1.4932271891878945
Energy: 1.8052840923682814
Energy: 1.4932271891878945
Energy: 1.5519289293059337
Energy: 1.5849642138666213
Energy: 1.551928929306622
Energy: 1.5849642138652449
Energy: 1.5519289293073102
Energy: 1.584964213865933
Energy: 1.5519289293073102
Energy: 1.4789165709012004
Energy: 1.5405609592971592
Energy: 1.4789165709012004
Energy: 1.5405609592978473
Energy: 1.4789165709018885
Energy: 1.5405609592971592
Energy: 1.4789165709012004
Energy: 1.4983923355090136
Energy: 1.5234841994506172
Energy: 1.4983923355090136
Energy: 1.5234841994513058
Energy: 1.4983923355097017
Energy: 1.5234841994506172
Energy: 1.4983923355090136
Energy: 1.4398943253377046
Energy: 1.6966650626565967
Energy: 1.439894325336328
Energy: 1.6966650626565967
Energy: 1.4398943253377046
Energy: 1.6966650626565967
Energy: 1.4398943253370164
Energy: 1.3351642239592145
Energy: 1.4516237155437377
Energy: 1.3351642239585264
Energy: 1.4516237155430491
Energy: 1.335164223957838
Energy: 1.4516237155430491
Energy: 1.3351642239592145
Energy: 1.335389638019653
Energy: 1.3937504275228743
Energy: 1.3353896380203412
Energy: 1.3937504275221861
Energy: 1.3353896380203412
Energy: 1.3937504275228743
Energy: 1.335389638019653
Energy: 1.4094902632294881
Energy: 1.3826121081800837
Energy: 1.4094902632294881
Energy: 1.3826121081793954
Energy: 1.4094902632287998
Energy: 1.3826121081800837
Energy: 1.4094902632301765
Energy: 1.3120781427402355
Energy: 1.9604373511719022
Energy: 1.312078142740924
Energy: 1.9604373511725905
Energy: 1.3120781427416122
Energy: 1.9604373511719022
Energy: 1.3120781427402355
Energy: 1.31266053275396
Energy: 1.511718602798819
Energy: 1.3126605327546483
Energy: 1.511718602798819
Energy: 1.3126605327553365
Energy: 1.511718602798819
Energy: 1.3126605327532717
Energy: 1.409110784092177
Energy: 1.3935138001442653
Energy: 1.409110784091489
Energy: 1.3935138001442653
Energy: 1.4091107840928658
Energy: 1.3935138001428886
Energy: 1.4091107840928658
Energy: 1.448717059577602
Energy: 1.4670365396224554
Energy: 1.448717059577602
Energy: 1.467036539621767
Energy: 1.4487170595762258
Energy: 1.467036539621767
Energy: 1.448717059577602

minimum gb energy = 1.3118722575684716 eV
minimum distance =  2.517859068935 Angstroms
sigma value = 113


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

Energy: 1.3629970206221844
Energy: 1.4183966791777742
Energy: 1.3629970206221844
Energy: 1.4183966791777742
Energy: 1.3629970206221844
Energy: 1.4183966791816156
Energy: 1.3629970206221844
Energy: 1.2954230515982406
Energy: 1.343851229987625
Energy: 1.2954230515982406
Energy: 1.343851229987625
Energy: 1.2954230516020817
Energy: 1.343851229987625
Energy: 1.2954230515982406
Energy: 1.3599493940407488
Energy: 1.322178611467076
Energy: 1.3599493940407488
Energy: 1.3221786114632346
Energy: 1.3599493940407488
Energy: 1.3221786114632346
Energy: 1.3599493940407488
Energy: 1.3421152721545622
Energy: 1.3776372514115647
Energy: 1.342115272150721
Energy: 1.3776372514115647
Energy: 1.342115272150721
Energy: 1.3776372514115647
Energy: 1.3421152721468796
Energy: 1.2551677593841395
Energy: 1.449978630605799
Energy: 1.2551677593841395
Energy: 1.4499786306019578
Energy: 1.2551677593802981
Energy: 1.449978630605799
Energy: 1.2551677593802981
Energy: 1.2748460709833143
Energy: 1.301759691747056
Energy: 1.2748460709794731
Energy: 1.301759691743215
Energy: 1.2748460709794731
Energy: 1.301759691747056
Energy: 1.2748460709794731
Energy: 1.2612306240939402
Energy: 1.309254524376171
Energy: 1.261230624090099
Energy: 1.309254524376171
Energy: 1.2612306240939402
Energy: 1.309254524376171
Energy: 1.2612306240939402
Energy: 1.2773871594287023
Energy: 1.2394784221897905
Energy: 1.2773871594248614
Energy: 1.2394784221897905
Energy: 1.2773871594248614
Energy: 1.2394784221897905
Energy: 1.2773871594248614
Energy: 1.2841726505023305
Energy: 1.3800518900321603
Energy: 1.2841726505061717
Energy: 1.3800518900283192
Energy: 1.2841726505023305
Energy: 1.3800518900283192
Energy: 1.2841726504984894
Energy: 1.3201122171433197
Energy: 1.2439822718630453
Energy: 1.3201122171394786
Energy: 1.2439822718630453
Energy: 1.3201122171433197
Energy: 1.2439822718668865
Energy: 1.3201122171433197
Energy: 1.2390295384879788
Energy: 1.2423080239901632
Energy: 1.2390295384841374
Energy: 1.2423080239901632
Energy: 1.2390295384879788
Energy: 1.2423080239901632
Energy: 1.2390295384879788
Energy: 1.2851849967146762
Energy: 1.2676627469618982
Energy: 1.285184996706994
Energy: 1.2676627469618982
Energy: 1.2851849967108353
Energy: 1.2676627469618982
Energy: 1.2851849967108353
Energy: 1.18379243243972
Energy: 1.5310584459351995
Energy: 1.183792432435879
Energy: 1.5310584459313583
Energy: 1.18379243243972
Energy: 1.5310584459313583
Energy: 1.18379243243972
Energy: 1.282187413063887
Energy: 1.2794225540108848
Energy: 1.282187413063887
Energy: 1.2794225540108848
Energy: 1.2821874130677284
Energy: 1.2794225540108848
Energy: 1.2821874130600461
Energy: 1.2508689671693376
Energy: 1.2013110267697096
Energy: 1.2508689671693376
Energy: 1.2013110267697096
Energy: 1.2508689671654964
Energy: 1.2013110267697096
Energy: 1.2508689671693376
Energy: 1.2881994480316346
Energy: 1.5272723359896754
Energy: 1.2881994480277932
Energy: 1.5272723359858345
Energy: 1.2881994480316346
Energy: 1.5272723359896754
Energy: 1.2881994480277932
Energy: 1.2400212730902118
Energy: 1.2201550149259195
Energy: 1.2400212730902118
Energy: 1.2201550149259195
Energy: 1.2400212730902118
Energy: 1.2201550149259195
Energy: 1.2400212730902118
Energy: 1.2776642126614397
Energy: 1.259800070675067
Energy: 1.277664212665281
Energy: 1.2598000706712258
Energy: 1.277664212665281
Energy: 1.2598000706712258
Energy: 1.277664212665281
Energy: 1.2521155174815504
Energy: 1.2555373784683068
Energy: 1.2521155174853913
Energy: 1.255537378464466
Energy: 1.2521155174853913
Energy: 1.255537378464466
Energy: 1.2521155174853913
Energy: 1.267430985172123
Energy: 1.4164933076767192
Energy: 1.267430985175964
Energy: 1.4164933076613544
Energy: 1.267430985175964
Energy: 1.4164933077726787
Energy: 1.267430985172123
Energy: 1.2765042440839518
Energy: 1.2737745948604717
Energy: 1.2765042440839518
Energy: 1.2737745948604717
Energy: 1.2765042440877932
Energy: 1.2737745948604717
Energy: 1.2765042440877932
Energy: 1.3226493083635966
Energy: 1.2621906244698995
Energy: 1.3226493083674378
Energy: 1.2621906244698995
Energy: 1.3226493083635966
Energy: 1.2621906244698995
Energy: 1.3226493083635966
Energy: 1.3212506089604816
Energy: 1.267850032548361
Energy: 1.3212506089604816
Energy: 1.267850032548361
Energy: 1.3212506089566407
Energy: 1.267850032552202
Energy: 1.3212506089604816
Energy: 1.3024449481603375
Energy: 1.4565717665083153
Energy: 1.3024449481564961
Energy: 1.4565717665083153
Energy: 1.3024449481603375
Energy: 1.4565717665083153
Energy: 1.3024449481603375
Energy: 1.438541689835239
Energy: 1.327445711618356
Energy: 1.438541689835239
Energy: 1.327445711618356
Energy: 1.438541689835239
Energy: 1.327445711618356
Energy: 1.438541689835239
Energy: 1.3536534795197075
Energy: 1.3471460001925468
Energy: 1.3536534795158663
Energy: 1.347146000188706
Energy: 1.3536534795158663
Energy: 1.3471460001925468
Energy: 1.3536534795158663
Energy: 1.3857014850040241
Energy: 1.3341816242743152
Energy: 1.3857014850040241
Energy: 1.3341816241898794
Energy: 1.385701485000183
Energy: 1.3341816244893505
Energy: 1.3857014850040241
Energy: 1.3227538532535605
Energy: 1.6378718234815308
Energy: 1.3227538532497194
Energy: 1.6378718234815308
Energy: 1.3227538532497194
Energy: 1.6378718234815308
Energy: 1.3227538532497194
Energy: 1.4638918661608689
Energy: 1.3470314398989325
Energy: 1.4638918661608689
Energy: 1.3470314399066148
Energy: 1.4638918661608689
Energy: 1.3470314399027739
Energy: 1.463891866157028
Energy: 1.3163029213361317
Energy: 1.2818951625747141
Energy: 1.3163029213361317
Energy: 1.2818951625747141
Energy: 1.316302921339973
Energy: 1.2818951625747141
Energy: 1.3163029213361317
Energy: 1.2536444182985735
Energy: 1.3837700099102195
Energy: 1.2536444182985735
Energy: 1.3837700099102195
Energy: 1.253644418302415
Energy: 1.3837700099102195
Energy: 1.2536444182985735
Energy: 1.2390527075073972
Energy: 1.534083005018964
Energy: 1.2390527075073972
Energy: 1.534083005018964
Energy: 1.2390527075073972
Energy: 1.5340830050228054
Energy: 1.2390527075073972
Energy: 1.4300403143747211
Energy: 1.2987042904940058
Energy: 1.4300403143747211
Energy: 1.2987042904940058
Energy: 1.4300403143747211
Energy: 1.2987042904940058
Energy: 1.4300403143747211
Energy: 1.2405903484290284
Energy: 1.2964820032335287
Energy: 1.2405903484290284
Energy: 1.2964820031298172
Energy: 1.2405903484290284
Energy: 1.296482003222005
Energy: 1.2405903484290284
Energy: 1.2967967265682794
Energy: 1.267588739386562
Energy: 1.2967967265682794
Energy: 1.267588739386562
Energy: 1.2967967265682794
Energy: 1.267588739386562
Energy: 1.2967967265721203
Energy: 1.2205824582903162
Energy: 1.4722753248508147
Energy: 1.2205824582903162
Energy: 1.4722753248508147
Energy: 1.2205824582903162
Energy: 1.4722753248508147
Energy: 1.2205824582903162
Energy: 1.4168409700387905
Energy: 1.248344123907258
Energy: 1.4168409700387905
Energy: 1.248344123911099
Energy: 1.4168409700426319
Energy: 1.248344123907258
Energy: 1.4168409700387905
Energy: 1.2229445282495257
Energy: 1.2101161442790587
Energy: 1.2229445282495257
Energy: 1.2101161442790587
Energy: 1.2229445282495257
Energy: 1.2101161442752175
Energy: 1.2229445282495257
Energy: 1.2798736168537668
Energy: 1.1818133865781173
Energy: 1.279873616857608
Energy: 1.1818133865742761
Energy: 1.2798736168537668
Energy: 1.1818133865781173
Energy: 1.2798736168537668
Energy: 1.1844118181374965
Energy: 1.4508272029791431
Energy: 1.1844118181374965
Energy: 1.450827203017485
Energy: 1.1844118181374965
Energy: 1.4508272029176847
Energy: 1.1844118181374965
Energy: 1.2414230799738302
Energy: 1.2828902981550445
Energy: 1.2414230799738302
Energy: 1.2828902981550445
Energy: 1.2414230799699892
Energy: 1.2828902981550445
Energy: 1.2414230799738302
Energy: 1.251494617292882
Energy: 1.2009071294968292
Energy: 1.2514946172890409
Energy: 1.2009071294929878
Energy: 1.251494617292882
Energy: 1.2009071294929878
Energy: 1.251494617292882
Energy: 1.2977617892228543
Energy: 1.5239523755882125
Energy: 1.2977617892228543
Energy: 1.5239523755882125
Energy: 1.2977617892228543
Energy: 1.5239523755882125
Energy: 1.2977617892228543
Energy: 1.2553243790951576
Energy: 1.2244666128757002
Energy: 1.255324379098999
Energy: 1.2244666128757002
Energy: 1.255324379098999
Energy: 1.2244666128718593
Energy: 1.255324379098999
Energy: 1.27725820246552
Energy: 1.274837478153184
Energy: 1.27725820246552
Energy: 1.274837478149343
Energy: 1.27725820246552
Energy: 1.274837478149343
Energy: 1.27725820246552

minimum gb energy = 1.1818133865742761 eV
minimum distance =  2.54863921026813 Angstroms
sigma value = 365


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

Energy: 0.44534926489189636
Energy: 0.47152507352840084
Energy: 0.44534926489103027
Energy: 0.47152507352840084
Energy: 0.44534926489189636
Energy: 0.47152507352840084
Energy: 0.44534926489103027
Energy: 3.333324116114463
Energy: 1.5038068145649746
Energy: 3.353967582119122
Energy: 1.5038068145658405
Energy: 2.6255599256320923
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 0.44534926489103027
Energy: 0.47152507352666884
Energy: 0.44534926489189636
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 0.47152507352666884
Energy: 0.44534926489189636
Energy: 3.089933311133441
Energy: 1.5038068145649746
Energy: 3.089933311134307
Energy: 1.5038068145649746
Energy: 3.3539675821199886
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 0.44534926489103027
Energy: 0.47152507352840084
Energy: 0.44534926489189636
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 0.47152507352840084
Energy: 0.44534926489189636
Energy: 2.6255599256329583
Energy: 1.5038068145658405
Energy: 2.6255599256320923
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 1.5038068145658405
Energy: 2.6255599256329583
Energy: 0.44534926489103027
Energy: 0.47152507352666884
Energy: 0.44534926489103027
Energy: 0.47152507352666884
Energy: 0.44534926489189636
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 2.6255599256320923
Energy: 1.5038068145641084
Energy: 2.6255599256320923
Energy: 1.5038068145649746
Energy: 2.6255599256320923
Energy: 1.5038068145641084
Energy: 2.6255599256338242
Energy: 0.44534926489103027
Energy: 0.47152507352753487
Energy: 0.44534926489189636
Energy: 0.47152507352840084
Energy: 0.44534926489103027
Energy: 0.47152507352753487
Energy: 0.44534926489189636
Energy: 2.7624654142898546
Energy: 1.5038068145649746
Energy: 2.762465414290721
Energy: 1.5038068145649746
Energy: 2.7518810225336754
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 0.44534926489103027
Energy: 0.47152507352666884
Energy: 0.44534926489189636
Energy: 0.47152507352666884
Energy: 0.44534926489103027
Energy: 0.47152507352753487
Energy: 0.44534926489189636
Energy: 2.6255599256329583
Energy: 1.5038068145649746
Energy: 2.6255599256338242
Energy: 1.5038068145641084
Energy: 2.6255599256329583
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 0.44534926489189636
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 0.47152507352753487
Energy: 0.44534926489189636
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 2.6255599256320923
Energy: 1.5038068145641084
Energy: 2.6255599256338242
Energy: 1.5038068145649746
Energy: 2.6255599256320923
Energy: 1.5038068145641084
Energy: 2.6255599256329583
Energy: 0.44534926489103027
Energy: 0.47152507352666884
Energy: 0.44534926489189636
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 0.47152507352666884
Energy: 0.44534926489189636
Energy: 2.6255599256329583
Energy: 1.5038068145649746
Energy: 2.6255599256338242
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 1.5038068145649746
Energy: 2.6255599256338242
Energy: 0.44534926489103027
Energy: 0.47152507352840084
Energy: 0.44534926489189636
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 0.47152507352840084
Energy: 0.44534926489189636
Energy: 2.6255599256329583
Energy: 1.5038068145649746
Energy: 2.6255599256320923
Energy: 1.5038068145641084
Energy: 2.6255599256329583
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 0.44534926489103027
Energy: 0.47152507352753487
Energy: 0.44534926489103027
Energy: 0.47152507352753487
Energy: 0.44534926489189636
Energy: 0.47152507352666884
Energy: 0.44534926489103027
Energy: 2.6255599256329583
Energy: 1.5038068145641084
Energy: 2.6255599256338242
Energy: 1.5038068145649746
Energy: 2.6255599256329583
Energy: 1.5038068145641084
Energy: 2.6255599256329583

minimum gb energy = 0.44534926489103027 eV
minimum distance =  2.66140239506292 Angstroms
sigma value = 23