Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
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=180.0
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: 0.017301782577428895
Energy: 0.01802270772329613
Energy: 0.8167929574382786
Energy: 0.01802270772329613
Energy: 0.017301782577428895
Energy: 0.01802270772329613
Energy: 0.01802270772329613
Energy: 3.970386181864594
Energy: 0.01802270772329613
Energy: 3.5513056032910804
Energy: 0.018022707722962102
Energy: 3.5513056032903703
Energy: 0.8167929574382786
Energy: 0.01802270772329613
Energy: 0.017301782577428895
Energy: 0.01802270772329613
Energy: 0.8167929574382786
Energy: 0.01802270772329613
Energy: 0.01802270772329613
Energy: 3.551305603290746
Energy: 0.01802270772329613
Energy: 3.551305603290746
Energy: 0.01802270772329613
Energy: 4.498274541890146
Energy: 0.017301782577428895
Energy: 0.01802270772329613
Energy: 0.8167929574382786
Energy: 0.01802270772329613
Energy: 0.017301782577428895
Energy: 0.01802270772329613
Energy: 0.01802270772329613
Energy: 3.5513056032910804
Energy: 0.01802270772329613
Energy: 4.498274541890146
Energy: 0.01802270772329613
Energy: 3.551305603290746

minimum gb energy = 0.017301782577428895 eV
minimum distance =  2.74581236308781 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.935177521087771
Energy: 1.7437928254766277
Energy: 1.638064062328342
Energy: 1.7437928254766277
Energy: 1.935177521087771
Energy: 1.7437928254766277
Energy: 1.6912333128691557
Energy: 1.6969490778308625
Energy: 1.8289355462083776
Energy: 1.6969490778299987
Energy: 1.6912333128691557
Energy: 1.6969490778299987
Energy: 1.6528448285215185
Energy: 1.6967876529722463
Energy: 1.6934960474676097
Energy: 1.6967876529713422
Energy: 1.6528448285215185
Energy: 1.6967876529713422
Energy: 1.7168814425474845
Energy: 1.681322935873227
Energy: 1.6038815472931383
Energy: 1.681322935872322
Energy: 1.7168814425474845
Energy: 1.681322935872322
Energy: 1.7169899365537677
Energy: 1.7088870584494036
Energy: 1.7178628510106826
Energy: 1.7088870584494036
Energy: 1.7169899365537677
Energy: 1.7088870584494036
Energy: 1.6917668845592608
Energy: 1.6975865809121085
Energy: 1.6622104225786274
Energy: 1.6975865809121085
Energy: 1.6917668845583564
Energy: 1.6975865809121085
Energy: 1.6919578207656858
Energy: 1.6977715593447344
Energy: 1.6614714583152832
Energy: 1.6977715593447344
Energy: 1.6919578207656858
Energy: 1.6977715593438298
Energy: 1.7585004233051003
Energy: 1.708855626056393
Energy: 1.605888855479815
Energy: 1.708855626056393
Energy: 1.7585004233051003
Energy: 1.708855626056393
Energy: 1.7167078897293333
Energy: 1.6428580455002055
Energy: 1.6039319578549613
Energy: 1.642858045499301
Energy: 1.7167078897284287
Energy: 1.642858045499301
Energy: 1.694420682951849
Energy: 1.6975583080235823
Energy: 1.6634587187935936
Energy: 1.6975583080226777
Energy: 1.6944206829509447
Energy: 1.6975583080226777
Energy: 1.673621861512514
Energy: 1.7132165773145804
Energy: 1.7250794467840203
Energy: 1.7132165773145804
Energy: 1.6736218615116094
Energy: 1.713216577313676
Energy: 1.6426458941678148
Energy: 1.7080039637459432
Energy: 1.6430123215176573
Energy: 1.7080039637432294
Energy: 1.6426458941678148
Energy: 1.7080039637432294
Energy: 1.8065357402022342
Energy: 1.7507624106822897
Energy: 1.6660120602498194
Energy: 1.7507624106831943
Energy: 1.8065357402031386
Energy: 1.7507624106840987
Energy: 1.6538725924574362
Energy: 1.6973844078171987
Energy: 1.6940506944252136
Energy: 1.6973844078162943
Energy: 1.6538725924574362
Energy: 1.6973844078162943
Energy: 1.7178158449913643
Energy: 1.658207560783335
Energy: 1.716251571630668
Energy: 1.6582075607824303
Energy: 1.7178158449913643
Energy: 1.6582075607824303
Energy: 1.6418860819781373
Energy: 1.7405580671749543
Energy: 1.7493888326199967
Energy: 1.740558067175859
Energy: 1.6418860819781373
Energy: 1.740558067175859
Energy: 1.6645565427179643
Energy: 1.6974025266576718
Energy: 1.6923321344335567
Energy: 1.6974025266576718
Energy: 1.6645565427170599
Energy: 1.6974025266576718
Energy: 1.6527813324815823
Energy: 1.6975798114819687
Energy: 1.6913982868278683
Energy: 1.6975798114819687
Energy: 1.652781332480678
Energy: 1.6975798114828733
Energy: 1.6985116193854723
Energy: 1.708690193745395
Energy: 1.7164595273374064
Energy: 1.708690193745395
Energy: 1.6985116193854723
Energy: 1.708690193745395
Energy: 1.6044762477828938
Energy: 1.6805095622228605
Energy: 1.716852634408209
Energy: 1.6805095622228605
Energy: 1.6044762477819894
Energy: 1.6805095622228605
Energy: 1.6934108296415682
Energy: 1.6968795993999484
Energy: 1.6530918599681659
Energy: 1.6968795993981391
Energy: 1.6934108296406638
Energy: 1.6968795993981391
Energy: 1.7019159210570303
Energy: 1.696886052223485
Energy: 1.6763062287895303
Energy: 1.696886052223485
Energy: 1.7019159210570303
Energy: 1.696886052223485
Energy: 1.694756633364397
Energy: 1.7076380302695566
Energy: 1.720176980212475
Energy: 1.707638030270461
Energy: 1.694756633364397
Energy: 1.707638030270461

minimum gb energy = 1.6038815472931383 eV
minimum distance =  2.61907133055954 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.3431944706841317
Energy: 1.7982284039733198
Energy: 1.745319417066941
Energy: 1.7982284039733198
Energy: 2.3431944706846464
Energy: 1.7982284039733198
Energy: 1.7047726605036426
Energy: 1.7511734017254246
Energy: 1.721146911098097
Energy: 1.7511734017259393
Energy: 1.7047726605036426
Energy: 1.7511734017254246
Energy: 1.6750492210367525
Energy: 1.7928732661318465
Energy: 1.8710591765299764
Energy: 1.7928732661313318
Energy: 1.6750492210362378
Energy: 1.792873266130817
Energy: 1.722489470883778
Energy: 1.7288237430654723
Energy: 1.9252892978466303
Energy: 1.7288237430654723
Energy: 1.722489470882749
Energy: 1.7288237430654723
Energy: 1.7223166793688398
Energy: 1.7623057806530673
Energy: 1.8449267428318112
Energy: 1.7623057806530673
Energy: 1.7223166793698688
Energy: 1.7623057806530673
Energy: 1.7113424769352348
Energy: 1.7641185127282737
Energy: 1.6975457050761213
Energy: 1.7641185127282737
Energy: 1.7113424769347203
Energy: 1.7641185127282737
Energy: 1.7111453044711198
Energy: 1.7637954705868932
Energy: 1.7559158493792215
Energy: 1.7637954705863788
Energy: 1.7111453044706053
Energy: 1.7637954705863788
Energy: 1.698083077512728
Energy: 1.7627049875098924
Energy: 1.7909506184014496
Energy: 1.7627049875109213
Energy: 1.698083077512728
Energy: 1.7627049875104068
Energy: 1.721349787809497
Energy: 1.729030570229752
Energy: 1.710880714219265
Energy: 1.7290305702292375
Energy: 1.7213497878089825
Energy: 1.729030570229752
Energy: 1.711148365809352
Energy: 1.7927404041997723
Energy: 1.7208336667081536
Energy: 1.7927404041997723
Energy: 1.7111483658103808
Energy: 1.792740404200287
Energy: 1.7043010534758265
Energy: 1.7558983688181131
Energy: 1.7210103067013907
Energy: 1.7558983688165692
Energy: 1.7043010534758265
Energy: 1.755898368817084
Energy: 1.870064979250631
Energy: 1.7629572637696647
Energy: 1.730865065625302
Energy: 1.7629572637691502
Energy: 1.8700649792501165
Energy: 1.7629572637691502
Energy: 1.9300986571451797
Energy: 1.7423248127781177
Energy: 1.740689706744927
Energy: 1.7423248127786322
Energy: 1.9300986571451797
Energy: 1.7423248127786322
Energy: 1.7965740098990357
Energy: 1.7921177728964752
Energy: 1.7195809045427164
Energy: 1.7921177728964752
Energy: 1.7965740098990357
Energy: 1.7921177728964752
Energy: 1.8706431359813083
Energy: 1.7625263791958805
Energy: 1.8573910173869863
Energy: 1.7625263791958805
Energy: 1.8706431359807938
Energy: 1.7625263791958805
Energy: 1.8708462394268408
Energy: 1.7621380907235002
Energy: 1.749701577919289
Energy: 1.7621380907240147
Energy: 1.8708462394273555
Energy: 1.7621380907235002
Energy: 1.8918502476857175
Energy: 1.7634874739223905
Energy: 1.7206257039819408
Energy: 1.7634874739229054
Energy: 1.891850247686232
Energy: 1.7634874739223905
Energy: 1.8935467723611492
Energy: 1.7498505600863916
Energy: 1.857095474482184
Energy: 1.749850560085877
Energy: 1.8935467723616635
Energy: 1.749850560085877
Energy: 1.697184105258072
Energy: 1.7626322913278636
Energy: 1.7908752462784052
Energy: 1.7626322913273489
Energy: 1.6971841052575576
Energy: 1.7626322913273489
Energy: 1.7205855886624482
Energy: 1.7292881993019174
Energy: 1.7111913100923954
Energy: 1.7292881993019174
Energy: 1.720585588663477
Energy: 1.7292881993019174
Energy: 1.8679211950115073
Energy: 1.792700633253752
Energy: 1.718647375192154
Energy: 1.7927006332532376
Energy: 1.8679211950120218
Energy: 1.7927006332532376
Energy: 1.7385085935962186
Energy: 1.7563534894280481
Energy: 1.9249846756335856
Energy: 1.7563534894280481
Energy: 1.7385085935957039
Energy: 1.7563534894280481
Energy: 1.7203166099003686
Energy: 1.7630898469528515
Energy: 1.8905513472901412
Energy: 1.7630898469523373
Energy: 1.7203166099003686
Energy: 1.7630898469523373
Energy: 1.9304710956412225
Energy: 1.750074906202155
Energy: 1.7208405242835494
Energy: 1.750074906202155
Energy: 1.9304710956412225
Energy: 1.750074906202155
Energy: 1.7513741209261675
Energy: 1.7640542113138413
Energy: 1.8700193751593415
Energy: 1.764054211314356
Energy: 1.7513741209261675
Energy: 1.764054211314356
Energy: 1.7201957992460837
Energy: 1.7932786509260314
Energy: 1.7570953567236405
Energy: 1.7932786509260314
Energy: 1.7201957992460837
Energy: 1.7932786509260314
Energy: 1.7201843609496508
Energy: 1.7932477395138087
Energy: 1.739270778477663
Energy: 1.7932477395132942
Energy: 1.7201843609506797
Energy: 1.7932477395132942
Energy: 1.7517719691250269
Energy: 1.764047713743795
Energy: 1.8699442290344566
Energy: 1.764047713743795
Energy: 1.7517719691250269
Energy: 1.764047713743795
Energy: 1.891306575335007
Energy: 1.750262216257561
Energy: 1.7204839138695713
Energy: 1.750262216257561
Energy: 1.8913065753370648
Energy: 1.7502622162570463
Energy: 1.720236268818263
Energy: 1.7630841932298975
Energy: 1.7974779869292543
Energy: 1.7630841932298975
Energy: 1.7202362688187776
Energy: 1.7630841932298975
Energy: 1.7384309018706892
Energy: 1.7563534894280481
Energy: 1.9249881988530098
Energy: 1.7563534894280481
Energy: 1.7384309018701745
Energy: 1.7563534894285626
Energy: 1.8679010194815033
Energy: 1.7927056128943255
Energy: 1.7193452612331808
Energy: 1.7927056128938108
Energy: 1.8679010194815033
Energy: 1.7927056128938108
Energy: 1.7205886829029409
Energy: 1.7292955519292437
Energy: 1.711348474804812
Energy: 1.7292955519287292
Energy: 1.7205886829029409
Energy: 1.7292955519287292
Energy: 1.6972348193740854
Energy: 1.7629174922352864
Energy: 1.7103721867025947
Energy: 1.7629174922352864
Energy: 1.697234819373571
Energy: 1.7629174922352864
Energy: 1.8925230223893335
Energy: 1.749842846688462
Energy: 1.9530399561681941
Energy: 1.7498428466889764
Energy: 1.8925230223893335
Energy: 1.7498428466889764
Energy: 1.8918831687622468
Energy: 1.7635022535864944
Energy: 1.7206370268370397
Energy: 1.7635022535859797
Energy: 1.8918831687617323
Energy: 1.7635022535859797
Energy: 1.8705491423793816
Energy: 1.762127930727548
Energy: 1.7093644605512788
Energy: 1.7621279307270334
Energy: 1.8705491423788672
Energy: 1.762127930726519
Energy: 1.8703728473031664
Energy: 1.7625435313905602
Energy: 1.8573993779166715
Energy: 1.7625435313910747
Energy: 1.8703728473031664
Energy: 1.7625435313905602
Energy: 1.7965645248730762
Energy: 1.7923726855181505
Energy: 1.7197005856258993
Energy: 1.7923726855186652
Energy: 1.7965645248730762
Energy: 1.7923726855181505
Energy: 1.9301744110217276
Energy: 1.742287871755805
Energy: 1.7416184279177693
Energy: 1.742287871755805
Energy: 1.9301744110212131
Energy: 1.7422878717552905
Energy: 1.8694724854342766
Energy: 1.7629528147956044
Energy: 1.7089053978228586
Energy: 1.7629528147956044
Energy: 1.8694724854342766
Energy: 1.7629528147956044

minimum gb energy = 1.6750492210362378 eV
minimum distance =  2.57903806906701 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.281050867571234
Energy: 1.9009515329668283
Energy: 1.7255287606782561
Energy: 1.9009515329668283
Energy: 2.281050867571234
Energy: 1.9009515329656361
Energy: 1.8128681465211973
Energy: 1.807432489351465
Energy: 2.002528002845044
Energy: 1.807432489351465
Energy: 1.8128681465211973
Energy: 1.807432489351465
Energy: 1.7632208941122824
Energy: 1.807486797310872
Energy: 1.861965277258694
Energy: 1.807486797310872
Energy: 1.7632208941122824
Energy: 1.807486797310872
Energy: 1.7826049764499177
Energy: 1.8080185747738526
Energy: 2.0024241104165337
Energy: 1.8080185747726607
Energy: 1.7826049764499177
Energy: 1.8080185747726607
Energy: 1.784088415369767
Energy: 1.8073797672788963
Energy: 2.082426534101144
Energy: 1.8073797672788963
Energy: 1.784088415369767
Energy: 1.8073797672788963
Energy: 2.00023982289393
Energy: 1.7403456531865762
Energy: 1.9909564022766029
Energy: 1.7403456531865762
Energy: 2.00023982289393
Energy: 1.7403456531865762
Energy: 2.0013800452850163
Energy: 1.7428621977583676
Energy: 1.973541909349042
Energy: 1.7428621977583676
Energy: 2.0013800452850163
Energy: 1.7428621977571752
Energy: 1.7827504175543987
Energy: 1.8064718013105419
Energy: 1.751743787928135
Energy: 1.8064718013105419
Energy: 1.7827504175532063
Energy: 1.8064718013105419
Energy: 2.0001098042352723
Energy: 1.8749618489232411
Energy: 1.7075783020540731
Energy: 1.8749618489232411
Energy: 2.0001098042352723
Energy: 1.874961848924433
Energy: 1.763337148689389
Energy: 1.8084689160558483
Energy: 1.7517953268800635
Energy: 1.8084689160558483
Energy: 1.763337148689389
Energy: 1.8084689160558483
Energy: 2.0312964605010695
Energy: 1.7832050544512543
Energy: 2.010310827988378
Energy: 1.7832050544512543
Energy: 2.0312964605010695
Energy: 1.7832050544512543
Energy: 1.9666606267069064
Energy: 1.8999608333868918
Energy: 1.990625756823504
Energy: 1.8999608333868918
Energy: 1.9666606267057145
Energy: 1.8999608333868918
Energy: 1.8629505425382713
Energy: 1.8070566851001075
Energy: 2.0023813154775842
Energy: 1.8070566851012995
Energy: 1.8629505425382713
Energy: 1.8070566851012995
Energy: 1.7634837636763006
Energy: 1.8079030520405925
Energy: 2.002970024454288
Energy: 1.8079030520405925
Energy: 1.7634837636751084
Energy: 1.8079030520405925
Energy: 1.7628824178803304
Energy: 1.8079535120256043
Energy: 2.0027382775959284
Energy: 1.8079535120267964
Energy: 1.7628824178815228
Energy: 1.8079535120256043
Energy: 1.7835327179824592
Energy: 1.8126771075721997
Energy: 2.0029808528336552
Energy: 1.8126771075721997
Energy: 1.7835327179824592
Energy: 1.8126771075721997
Energy: 2.0005056694169805
Energy: 1.81764096603075
Energy: 1.990386443894229
Energy: 1.81764096603075
Energy: 2.000505669415788
Energy: 1.81764096603075
Energy: 2.0014580012393615
Energy: 1.755029893170122
Energy: 1.9742810284568393
Energy: 1.755029893170122
Energy: 2.001458001238169
Energy: 1.755029893170122

minimum gb energy = 1.7075783020540731 eV
minimum distance =  2.57275919214533 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.1735896155408816
Energy: 1.8905104611291093
Energy: 1.7568425863219266
Energy: 1.8905104611291093
Energy: 2.1735896155408816
Energy: 1.8905104611291093
Energy: 1.734934341089319
Energy: 1.8614884062037758
Energy: 1.7925776957504662
Energy: 1.8614884062037758
Energy: 1.734934341089319
Energy: 1.8614884062037758
Energy: 1.7103591417160198
Energy: 1.8753434050356381
Energy: 1.903892495667023
Energy: 1.8753434050356381
Energy: 1.7103591417160198
Energy: 1.8753434050356381
Energy: 1.7556522289874341
Energy: 1.8378321912654536
Energy: 1.7927419152416342
Energy: 1.8378321912647466
Energy: 1.7556522289881409
Energy: 1.8378321912647466
Energy: 1.7557018805263196
Energy: 1.8883311923607948
Energy: 2.1290106293394326
Energy: 1.8883311923607948
Energy: 1.7557018805263196
Energy: 1.8883311923607948
Energy: 2.128902687000981
Energy: 1.8883620693150995
Energy: 1.7556900105217152
Energy: 1.8883620693150995
Energy: 2.128902687000981
Energy: 1.8883620693150995
Energy: 1.7925734123459078
Energy: 1.8378463101685767
Energy: 1.7940746299168722
Energy: 1.837846310169284
Energy: 1.7925734123459078
Energy: 1.837846310169284
Energy: 1.903958847348648
Energy: 1.8753290789083412
Energy: 1.710304368684736
Energy: 1.8753290789083412
Energy: 1.903958847348648
Energy: 1.8753290789083412
Energy: 1.7924176329403632
Energy: 1.8614771324338228
Energy: 1.7100503307147774
Energy: 1.8614771324331159
Energy: 1.7924176329396564
Energy: 1.8614771324338228
Energy: 1.8661962105220453
Energy: 1.8905104611291093
Energy: 2.1735896155408816
Energy: 1.8905104611291093
Energy: 1.866196210521338
Energy: 1.8905104611291093
Energy: 1.7925776957511734
Energy: 1.8614884062037758
Energy: 1.734934341089319
Energy: 1.8614884062044825
Energy: 1.7925776957511734
Energy: 1.8614884062044825
Energy: 1.9038924956663161
Energy: 1.8753434050349314
Energy: 1.7103591417160198
Energy: 1.8753434050356381
Energy: 1.9038924956663161
Energy: 1.8753434050356381
Energy: 1.7927419152395128
Energy: 1.8378321912654536
Energy: 1.7556522289874341
Energy: 1.8378321912654536
Energy: 1.792741915240927
Energy: 1.8378321912654536
Energy: 2.211736485894665
Energy: 1.8883311923607948
Energy: 1.7557018805263196
Energy: 1.8883311923600874
Energy: 2.211736485894665
Energy: 1.8883311923607948
Energy: 1.7556900105217152
Energy: 1.8883620693150995
Energy: 2.128902687000981
Energy: 1.8883620693143923
Energy: 1.755690010521008
Energy: 1.8883620693143923
Energy: 1.7940746299168722
Energy: 1.8378463101685767
Energy: 1.7925734123459078
Energy: 1.8378463101685767
Energy: 1.794074629915458
Energy: 1.837846310169284
Energy: 1.710304368684736
Energy: 1.875329078907634
Energy: 1.903958847347941
Energy: 1.875329078907634
Energy: 1.710304368684736
Energy: 1.875329078907634
Energy: 1.7100503307161916
Energy: 1.8614771324331159
Energy: 1.7924176329396564
Energy: 1.8614771324331159
Energy: 1.7100503307161916
Energy: 1.8614771324338228
Energy: 2.1735896155408816
Energy: 1.8905104611291093
Energy: 1.8661962105220453
Energy: 1.8905104611291093
Energy: 2.1735896155408816
Energy: 1.8905104611291093
Energy: 1.734934341089319
Energy: 1.8614884062037758
Energy: 1.7925776957504662
Energy: 1.8614884062030683
Energy: 1.734934341089319
Energy: 1.8614884062037758
Energy: 1.7103591417167268
Energy: 1.8753434050356381
Energy: 1.9038924956663161
Energy: 1.8753434050356381
Energy: 1.7103591417160198
Energy: 1.8753434050356381
Energy: 1.7556522289874341
Energy: 1.8378321912654536
Energy: 1.7927419152402195
Energy: 1.8378321912654536
Energy: 1.7556522289881409
Energy: 1.8378321912654536
Energy: 1.7557018805270264
Energy: 1.8883311923607948
Energy: 2.2117364858939577
Energy: 1.8883311923607948
Energy: 1.7557018805263196
Energy: 1.8883311923607948
Energy: 2.034812302348841
Energy: 1.8883620693143923
Energy: 1.755690010521008
Energy: 1.8883620693143923
Energy: 2.0348123023495486
Energy: 1.8883620693150995
Energy: 1.7925734123452008
Energy: 1.837846310169284
Energy: 1.8292996903371843
Energy: 1.837846310169284
Energy: 1.7925734123452008
Energy: 1.837846310169284
Energy: 1.903958847348648
Energy: 1.8753290789083412
Energy: 1.7103043686854429
Energy: 1.8753290789083412
Energy: 1.903958847347941
Energy: 1.8753290789083412
Energy: 1.792417632938949
Energy: 1.8614771324338228
Energy: 1.7100503307161916
Energy: 1.8614771324338228
Energy: 1.7924176329396564
Energy: 1.8614771324338228
Energy: 1.8661962105220453
Energy: 1.8905104611291093
Energy: 2.1735896155408816
Energy: 1.8905104611291093
Energy: 1.8661962105220453
Energy: 1.8905104611291093
Energy: 1.7925776957511734
Energy: 1.8614884062044825
Energy: 1.734934341089319
Energy: 1.8614884062037758
Energy: 1.7925776957511734
Energy: 1.8614884062037758
Energy: 1.9038924956663161
Energy: 1.8753434050356381
Energy: 1.7103591417167268
Energy: 1.8753434050356381
Energy: 1.9038924956663161
Energy: 1.8753434050349314

minimum gb energy = 1.7100503307147774 eV
minimum distance =  2.56519175626183 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.58227556373952
Energy: 1.7534398984535344
Energy: 2.01415281597069
Energy: 1.7534398984552662
Energy: 1.58227556373952
Energy: 1.7534398984552662
Energy: 1.5695124602859734
Energy: 1.7258193874440446
Energy: 1.6489002426008312
Energy: 1.7258193874440446
Energy: 1.5695124602859734
Energy: 1.7258193874440446
Energy: 1.6118849064651823
Energy: 1.9845677181252088
Energy: 1.6142627943234087
Energy: 1.9845677181234767
Energy: 1.6118849064651823
Energy: 1.9845677181234767
Energy: 1.5785502324082739
Energy: 1.755379063435345
Energy: 1.611947385298708
Energy: 1.7553790634336128
Energy: 1.5785502324082739
Energy: 1.7553790634336128
Energy: 1.6487857353681883
Energy: 1.7540931355049603
Energy: 1.8269420452304337
Energy: 1.7540931355049603
Energy: 1.6487857353681883
Energy: 1.7540931355049603
Energy: 1.6115442944496476
Energy: 1.9859191103699045
Energy: 1.6745026797787748
Energy: 1.9859191103699045
Energy: 1.6115442944496476
Energy: 1.9859191103699045
Energy: 1.6125736444458758
Energy: 1.7220457959931281
Energy: 1.6119962989541274
Energy: 1.72204579599486
Energy: 1.6125736444458758
Energy: 1.7220457959931281
Energy: 1.5785042568321732
Energy: 1.7545917901913328
Energy: 1.6492591568721053
Energy: 1.7545917901913328
Energy: 1.5785042568321732
Energy: 1.7545917901913328
Energy: 1.6119342737924578
Energy: 1.754676966492553
Energy: 1.5700065617093413
Energy: 1.754676966492553
Energy: 1.6119342737924578
Energy: 1.754676966492553
Energy: 1.611663835888699
Energy: 1.9898973987801483
Energy: 1.611656538407835
Energy: 1.9898973987818807
Energy: 1.611663835888699
Energy: 1.9898973987818807
Energy: 1.6128829994709781
Energy: 1.7546156226939005
Energy: 1.6118644543632945
Energy: 1.7546156226939005
Energy: 1.6128829994709781
Energy: 1.7546156226939005
Energy: 1.6492264016305607
Energy: 1.7545993272470566
Energy: 1.5785391325187705
Energy: 1.7545993272470566
Energy: 1.6492264016305607
Energy: 1.7545993272470566

minimum gb energy = 1.5695124602859734 eV
minimum distance =  2.584877503595 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.1832787987999707
Energy: 2.01178272018843
Energy: 1.8556514016559817
Energy: 2.0117827201879432
Energy: 2.183278798799484
Energy: 2.0117827201879432
Energy: 1.8193932656826322
Energy: 1.92078446263338
Energy: 1.7710109206337055
Energy: 1.9517630732269422
Energy: 1.8193932656816585
Energy: 1.9207844626343535
Energy: 1.7504880227308486
Energy: 1.982085207416049
Energy: 1.7714660626159486
Energy: 1.982085207416049
Energy: 1.750488022730362
Energy: 1.982085207416049
Energy: 1.7018293912078604
Energy: 1.9417669776528397
Energy: 1.653893618664258
Energy: 1.9417669776528397
Energy: 1.7018293912073736
Energy: 1.9417669776528397
Energy: 1.699110852465852
Energy: 1.9401830938536435
Energy: 1.685329544577065
Energy: 1.9401830938536435
Energy: 1.699110852465852
Energy: 1.940183093853157
Energy: 1.6691254733153753
Energy: 1.8676084961748505
Energy: 1.7727702255667468
Energy: 1.8676084961748505
Energy: 1.6691254733148886
Energy: 1.8676084961748505
Energy: 1.8906170732869731
Energy: 1.9552585779531235
Energy: 1.7669018014900213
Energy: 1.9552585779536102
Energy: 1.8906170732869731
Energy: 1.9552585779531235
Energy: 1.9435111071472082
Energy: 1.9419572597820172
Energy: 1.7945805716912318
Energy: 1.9419572597820172
Energy: 1.9435111071467215
Energy: 1.9419572597820172
Energy: 1.8158482921835442
Energy: 1.8810293065468877
Energy: 1.7955686315028776
Energy: 1.8810293065473744
Energy: 1.8158482921840309
Energy: 1.8810293065468877
Energy: 1.9390397364975493
Energy: 1.9830922864610008
Energy: 1.699217251400076
Energy: 1.9830922864610008
Energy: 1.9390397364975493
Energy: 1.9830922864610008
Energy: 1.8105235912692488
Energy: 1.9289271598574727
Energy: 1.7713375835989036
Energy: 1.9289271598574727
Energy: 1.8105235912682753
Energy: 1.9289271598574727
Energy: 1.7695047268376338
Energy: 1.941764188101243
Energy: 1.7502723454513756
Energy: 1.9417641881007568
Energy: 1.7695047268376338
Energy: 1.941764188101243
Energy: 1.6672450927951479
Energy: 1.8690176777007228
Energy: 1.6617720682706765
Energy: 1.8690176777007228
Energy: 1.6672450927946612
Energy: 1.869017677700236
Energy: 1.8916714145121485
Energy: 1.9837643712715853
Energy: 1.6605848189405679
Energy: 1.9837643712715853
Energy: 1.8916714145121485
Energy: 1.9837643712715853
Energy: 1.7678617183145593
Energy: 1.9457259088208172
Energy: 1.7771594737722696
Energy: 1.9457259088208172
Energy: 1.7678617183140726
Energy: 1.945725908821304
Energy: 1.8008904367351701
Energy: 1.9301964936001959
Energy: 1.750002679442277
Energy: 1.9301964936001959
Energy: 1.8008904367351701
Energy: 1.9301964936001959
Energy: 1.939550111820261
Energy: 1.986309499035256
Energy: 1.6997554313574885
Energy: 1.986309499035256
Energy: 1.939550111820261
Energy: 1.986309499035256
Energy: 1.6557711116939167
Energy: 1.8650673422730697
Energy: 1.7712082077691413
Energy: 1.8650673422730697
Energy: 1.6557711116948899
Energy: 1.8650673422730697
Energy: 1.942855630843893
Energy: 1.9843085711989894
Energy: 1.6670155318293265
Energy: 1.984308571198503
Energy: 1.942855630843893
Energy: 1.9843085711989894
Energy: 1.6671177724969959
Energy: 1.9863079973377453
Energy: 1.6671924023747287
Energy: 1.9863079973377453
Energy: 1.6671177724974828
Energy: 1.9863079973377453
Energy: 1.6670189456929796
Energy: 1.9837869514724458
Energy: 1.943039357523662
Energy: 1.9837869514724458
Energy: 1.6670189456929796
Energy: 1.9837869514724458
Energy: 1.7867080251717458
Energy: 1.8650806954281678
Energy: 1.6560171136073711
Energy: 1.8650806954291412
Energy: 1.7867080251717458
Energy: 1.8650806954281678
Energy: 1.6994532150872501
Energy: 1.9862947835937323
Energy: 1.9393339336629203
Energy: 1.9862947835937323
Energy: 1.6994532150872501
Energy: 1.986294783594219
Energy: 1.750085294756321
Energy: 1.9301872526247879
Energy: 1.8011693561150672
Energy: 1.9301872526252746
Energy: 1.750085294756321
Energy: 1.9301872526252746
Energy: 1.777178391369271
Energy: 1.9454577550343861
Energy: 1.7678188922782538
Energy: 1.9454577550343861
Energy: 1.7771783913697572
Energy: 1.9454577550343861
Energy: 1.6606630688709199
Energy: 1.9837226381158772
Energy: 1.8916532462701081
Energy: 1.9837226381153903
Energy: 1.6606630688709199
Energy: 1.9837226381158772
Energy: 1.6617471939979256
Energy: 1.8690378458092822
Energy: 1.6672172992822625
Energy: 1.869037845809769
Energy: 1.6617471939979256
Energy: 1.869037845809769
Energy: 1.7501251840249725
Energy: 1.9417114650027336
Energy: 1.7694930829571323
Energy: 1.941711465002247
Energy: 1.7501251840259462
Energy: 1.9417114650017602
Energy: 1.7714369287660103
Energy: 1.928587608392126
Energy: 1.858785101263392
Energy: 1.928587608392126
Energy: 1.7714369287669836
Energy: 1.928587608392126
Energy: 1.6991960944126685
Energy: 1.9831107605365867
Energy: 1.9391272519231042
Energy: 1.9831107605365867
Energy: 1.699196094411695
Energy: 1.9831107605365867
Energy: 1.7709499221018512
Energy: 1.8810293065454273
Energy: 1.8156569969106517
Energy: 1.8810293065454273
Energy: 1.7709499221013645
Energy: 1.8810293065454273
Energy: 1.7947586422814168
Energy: 1.9419920722619086
Energy: 1.943514751199149
Energy: 1.9419920722623953
Energy: 1.7947586422814168
Energy: 1.9419920722623953
Energy: 1.7672134245221371
Energy: 1.955426253257234
Energy: 1.8906439366590784
Energy: 1.9554262532577207
Energy: 1.7672134245221371
Energy: 1.955426253257234
Energy: 1.7724187577367847
Energy: 1.9207853430611503
Energy: 1.6689829975330126
Energy: 1.920785343061637
Energy: 1.7724187577372714
Energy: 1.920785343061637
Energy: 1.6547380130610956
Energy: 1.9401375954178872
Energy: 1.69912272488363
Energy: 1.9401375954174005
Energy: 1.6547380130610956
Energy: 1.9401375954174005
Energy: 1.6538391934104038
Energy: 1.9418397281035755
Energy: 1.7018146021267408
Energy: 1.9418397281040622
Energy: 1.6538391934104038
Energy: 1.9418397281035755
Energy: 1.7718386721717412
Energy: 1.9820607061836157
Energy: 1.750504525131469
Energy: 1.9820607061841027
Energy: 1.7718386721697945
Energy: 1.9820607061841027
Energy: 1.77083957676808
Energy: 1.9121221553000372
Energy: 1.819752547147972
Energy: 1.9121221553000372
Energy: 1.77083957676954
Energy: 1.9121221553000372
Energy: 1.827511337568274
Energy: 2.0117827201879432
Energy: 2.1832787987985105
Energy: 2.0117827201879432
Energy: 1.8275113375687604
Energy: 2.0117827201879432
Energy: 1.7710109206332187
Energy: 1.9207844626343535
Energy: 1.8193932656811722
Energy: 1.92078446263484
Energy: 1.7710109206332187
Energy: 1.92078446263484
Energy: 1.7714660626164354
Energy: 1.9820852074165358
Energy: 1.7504880227298754
Energy: 1.9820852074165358
Energy: 1.771466062616922
Energy: 1.9820852074165358
Energy: 1.6538936186647446
Energy: 1.9417669776528397
Energy: 1.7018293912078604
Energy: 1.9417669776528397
Energy: 1.6538936186647446
Energy: 1.9417669776528397
Energy: 1.7198977242363478
Energy: 1.940183093853157
Energy: 1.6991108524668252
Energy: 1.9401830938536435
Energy: 1.719897724234888
Energy: 1.940183093853157

minimum gb energy = 1.6538391934104038 eV
minimum distance =  2.55889559467385 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.8173367973812562
Energy: 1.9063247455146215
Energy: 1.6924689249078855
Energy: 1.9063247455157295
Energy: 1.8173367973812562
Energy: 1.9063247455146215
Energy: 1.4928536731193256
Energy: 1.8829528734535015
Energy: 1.5371871919601638
Energy: 1.8829528734535015
Energy: 1.4928536731193256
Energy: 1.8829528734535015
Energy: 1.485500038717034
Energy: 1.842821758811921
Energy: 1.5306361240671285
Energy: 1.842821758811921
Energy: 1.4855000387181418
Energy: 1.842821758811921
Energy: 1.5303252481713083
Energy: 1.8645955837263233
Energy: 1.6292812889609098
Energy: 1.8645955837263233
Energy: 1.5303252481713083
Energy: 1.8645955837263233
Energy: 1.530351784218253
Energy: 1.906825175278309
Energy: 1.4929928889700972
Energy: 1.906825175278309
Energy: 1.530351784218253
Energy: 1.906825175278309
Energy: 1.5308700507342834
Energy: 1.842697761369012
Energy: 1.4838337381591964
Energy: 1.842697761369012
Energy: 1.5308700507331756
Energy: 1.842697761369012
Energy: 1.5310565144697756
Energy: 1.842704972120856
Energy: 1.4838490212051898
Energy: 1.842704972120856
Energy: 1.5310565144697756
Energy: 1.842704972120856
Energy: 1.5303501917110602
Energy: 1.9067520930155588
Energy: 1.629363164529812
Energy: 1.9067520930155588
Energy: 1.5303501917110602
Energy: 1.9067520930155588
Energy: 1.5303210731378634
Energy: 1.8646718970226266
Energy: 1.5378814165134413
Energy: 1.8646718970226266
Energy: 1.5303210731378634
Energy: 1.8646718970226266
Energy: 1.4854831444241812
Energy: 1.8426578946536953
Energy: 1.5307617159041838
Energy: 1.8426578946525873
Energy: 1.4854831444241812
Energy: 1.8426578946525873
Energy: 1.4929533998981337
Energy: 1.8829528734523935
Energy: 1.531293972518787
Energy: 1.8829528734523935
Energy: 1.4929533998992415
Energy: 1.8829528734523935
Energy: 1.8173367973812562
Energy: 1.9063247455146215
Energy: 1.8218270894880135
Energy: 1.9063247455157295
Energy: 1.8173367973823642
Energy: 1.9063247455146215
Energy: 1.4928536731193256
Energy: 1.8829528734535015
Energy: 1.5371871919601638
Energy: 1.8829528734535015
Energy: 1.4928536731193256
Energy: 1.8829528734535015
Energy: 1.485500038717034
Energy: 1.842821758811921
Energy: 1.5306361240660205
Energy: 1.842821758811921
Energy: 1.485500038717034
Energy: 1.842821758811921
Energy: 1.5303252481713083
Energy: 1.8645955837252153
Energy: 1.5299576253118583
Energy: 1.8645955837263233
Energy: 1.5303252481713083
Energy: 1.8645955837263233
Energy: 1.530351784218253
Energy: 1.906825175278309
Energy: 1.492992888971205
Energy: 1.906825175278309
Energy: 1.530351784218253
Energy: 1.906825175278309
Energy: 1.5308700507342834
Energy: 1.842697761369012
Energy: 1.4838337381591964
Energy: 1.842697761369012
Energy: 1.5308700507331756
Energy: 1.842697761369012
Energy: 1.5310565144708834
Energy: 1.842704972120856
Energy: 1.4838490212051898
Energy: 1.842704972120856
Energy: 1.5310565144708834
Energy: 1.842704972120856
Energy: 1.5303501917110602
Energy: 1.9067520930155588
Energy: 1.5301095138857603
Energy: 1.9067520930155588
Energy: 1.5303501917110602
Energy: 1.9067520930155588

minimum gb energy = 1.4838337381591964 eV
minimum distance =  2.53440134592206 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.5868771744634262
Energy: 1.8204787431620992
Energy: 1.5059298885568406
Energy: 1.8204787431629106
Energy: 1.5868771744634262
Energy: 1.8204787431629106
Energy: 1.3784630003826688
Energy: 1.750780138560272
Energy: 1.3763167327227515
Energy: 1.750780138560272
Energy: 1.378463000376988
Energy: 1.7507801385610835
Energy: 1.5826382208651406
Energy: 1.726021009980363
Energy: 1.5050943450521062
Energy: 1.726021009980363
Energy: 1.5826382208651406
Energy: 1.726021009980363
Energy: 1.3883258070922202
Energy: 1.716270335610885
Energy: 1.376383549035796
Energy: 1.7162703356116968
Energy: 1.3883258070922202
Energy: 1.716270335610885
Energy: 1.377201525932255
Energy: 1.8207440985714844
Energy: 1.4631855519189667
Energy: 1.8207440985706727
Energy: 1.377201525932255
Energy: 1.8207440985706727
Energy: 1.4083789581044786
Energy: 1.785987051331915
Energy: 1.376438163945211
Energy: 1.785987051331915
Energy: 1.4083789581044786
Energy: 1.785987051331915
Energy: 1.406904619081137
Energy: 1.7256601913222733
Energy: 1.3765194554797557
Energy: 1.7256601913222733
Energy: 1.406904619081137
Energy: 1.7256601913222733
Energy: 1.411857141730677
Energy: 1.8222453961261738
Energy: 1.3953670212945903
Energy: 1.8222453961253622
Energy: 1.4118571417298655
Energy: 1.8222453961253622
Energy: 1.411598559750861
Energy: 1.8202509941362588
Energy: 1.3761709067898111
Energy: 1.8202509941362588
Energy: 1.4115985597516725
Energy: 1.8202509941362588
Energy: 1.4085636096437986
Energy: 1.7256568617885912
Energy: 1.3762814249514363
Energy: 1.725656861789403
Energy: 1.408563609642987
Energy: 1.725656861789403
Energy: 1.4067779748315703
Energy: 1.7838390945757587
Energy: 1.376326072203009
Energy: 1.7838390945757587
Energy: 1.4067779748315703
Energy: 1.7838390945757587
Energy: 1.3790368066990843
Energy: 1.8226669460110299
Energy: 1.3772341774207741
Energy: 1.822666946010218
Energy: 1.3790368066990843
Energy: 1.822666946010218
Energy: 1.4105071920918855
Energy: 1.7183983195111996
Energy: 1.4071130539151173
Energy: 1.718398319510388
Energy: 1.4105071920967547
Energy: 1.718398319510388
Energy: 1.5776383415392599
Energy: 1.7262200595515937
Energy: 1.4073978400533527
Energy: 1.7262200595524055
Energy: 1.5776383415392599
Energy: 1.7262200595524055
Energy: 1.3791279204554805
Energy: 1.7520873787793547
Energy: 1.3763473936113213
Energy: 1.7520873787801665
Energy: 1.3791279204538576
Energy: 1.7520873787793547
Energy: 1.5831351337598998
Energy: 1.8226677510956648
Energy: 1.4169451775708266
Energy: 1.8226677510964762
Energy: 1.5831351337598998
Energy: 1.8226677510964762
Energy: 1.3875382961436518
Energy: 1.749212802529605
Energy: 1.407214282604977
Energy: 1.7492128025304166
Energy: 1.3875382961428402
Energy: 1.7492128025304166
Energy: 1.577886813690262
Energy: 1.7262082167422566
Energy: 1.4463619697236552
Energy: 1.7262082167430677
Energy: 1.577886813690262
Energy: 1.7262082167430677
Energy: 1.3899189631947535
Energy: 1.7153349791340038
Energy: 1.3763037428062828
Energy: 1.7153349791331922
Energy: 1.3899189631963764
Energy: 1.7153349791340038
Energy: 1.3789120444106546
Energy: 1.8215953553749193
Energy: 1.407004670963531
Energy: 1.821595355375731
Energy: 1.3789120444114662
Energy: 1.8215953553749193
Energy: 1.4904912554218395
Energy: 1.7892285931799108
Energy: 1.3763648886197952
Energy: 1.7892285931807221
Energy: 1.4904912554226508
Energy: 1.7892285931807221
Energy: 1.4088459997071743
Energy: 1.727201654266363
Energy: 1.3765472051949335
Energy: 1.727201654266363
Energy: 1.4088459997071743
Energy: 1.727201654266363
Energy: 1.415312279697799
Energy: 1.825371150844109
Energy: 1.3950519940725712
Energy: 1.825371150844109
Energy: 1.415312279697799
Energy: 1.8253711508432973
Energy: 1.3797810847315617
Energy: 1.8204799108287357
Energy: 1.3764734980214093
Energy: 1.8204799108287357
Energy: 1.37978108473075
Energy: 1.8204799108279246
Energy: 1.4130917174903261
Energy: 1.7265154112618784
Energy: 1.376588455070262
Energy: 1.7265154112626895
Energy: 1.413091717491138
Energy: 1.7265154112626895
Energy: 1.408863649926777
Energy: 1.785130142327794
Energy: 1.3764750151949952
Energy: 1.7851301423269827
Energy: 1.408863649926777
Energy: 1.7851301423269827

minimum gb energy = 1.3761709067898111 eV
minimum distance =  2.58191664525525 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.8897675481812364
Energy: 1.7469475425375283
Energy: 1.3571951072114508
Energy: 1.7469475425368888
Energy: 1.8897675481805964
Energy: 1.7469475425375283
Energy: 1.669484196874881
Energy: 1.6024963135248074
Energy: 1.2592675688186445
Energy: 1.6024963135248074
Energy: 1.6694841968723224
Energy: 1.6024963135248074
Energy: 1.3983065946765874
Energy: 1.6719076017228722
Energy: 1.3002041524391845
Energy: 1.6719076017228722
Energy: 1.3983065946765874
Energy: 1.6719076017228722
Energy: 1.5992168953104051
Energy: 1.5687988676922804
Energy: 1.2592158021369941
Energy: 1.5687988676922804
Energy: 1.599216895472169
Energy: 1.5687988676922804
Energy: 1.4064138054222817
Energy: 1.5637446037445246
Energy: 1.3318004280244844
Energy: 1.5637446037445246
Energy: 1.4064138054222817
Energy: 1.5637446037445246
Energy: 1.618283826790894
Energy: 1.6418841117631324
Energy: 1.2589626151210962
Energy: 1.641884111763772
Energy: 1.6182838267915336
Energy: 1.6418841117631324
Energy: 1.2602174112461844
Energy: 1.6713422488882572
Energy: 1.25959053475773
Energy: 1.6713422488882572
Energy: 1.2602174112461844
Energy: 1.6713422488882572
Energy: 1.6898949433542174
Energy: 1.67219461623036
Energy: 1.2669992621918618
Energy: 1.6721946162309995
Energy: 1.6898949433542174
Energy: 1.6721946162309995
Energy: 1.2993941466004182
Energy: 1.5640895898406473
Energy: 1.5910705632992475
Energy: 1.5640895898406473
Energy: 1.299394146601058
Energy: 1.5640895898406473
Energy: 1.6281996351120984
Energy: 1.6729430792143765
Energy: 1.6839495480581068
Energy: 1.6729430792150162
Energy: 1.6281996351127381
Energy: 1.6729430792150162
Energy: 1.6275087748067165
Energy: 1.6708520534753837
Energy: 1.6842547050132917
Energy: 1.6708520534760234
Energy: 1.6275087748067165
Energy: 1.6708520534753837
Energy: 1.3032487780639013
Energy: 1.7134808584821923
Energy: 1.2670529261686565
Energy: 1.6717199744916789
Energy: 1.3032487780639013
Energy: 1.7228181208193172
Energy: 1.299332633200136
Energy: 1.6419822050075135
Energy: 1.5909824110127835
Energy: 1.6419822050075135
Energy: 1.299332633200136
Energy: 1.6419822050075135
Energy: 1.263931969399559
Energy: 1.671662960689519
Energy: 1.2591680548320752
Energy: 1.671662960689519
Energy: 1.2639319694001983
Energy: 1.671662960689519
Energy: 1.6161586485420645
Energy: 1.6794739461159218
Energy: 1.2591875905193548
Energy: 1.6794739461159218
Energy: 1.6161586485420645
Energy: 1.6794739461152823
Energy: 1.2590842241094757
Energy: 1.713853743662521
Energy: 1.2597383332622794
Energy: 1.6715058114045256
Energy: 1.2590842241094757
Energy: 1.7229800319533453
Energy: 1.6314439396715879
Energy: 1.6871163008840464
Energy: 1.2994910983155321
Energy: 1.6871163008846861
Energy: 1.6314439396703084
Energy: 1.6871163008846861
Energy: 1.2676298193852713
Energy: 1.6716207025641785
Energy: 1.299921125304265
Energy: 1.6716207025641785
Energy: 1.267629819385911
Energy: 1.6716207025635388
Energy: 1.5910849411500247
Energy: 1.601696522780659
Energy: 1.2593190593567256
Energy: 1.6016965227812987
Energy: 1.5910849411500247
Energy: 1.601696522780659
Energy: 1.686022038052288
Energy: 1.6716914201061317
Energy: 1.470143136595083
Energy: 1.6716914201067714
Energy: 1.6860220380529276
Energy: 1.7229184916258757
Energy: 1.6731907867016516
Energy: 1.606870187157933
Energy: 1.3313173004262633
Energy: 1.606870187157933
Energy: 1.673190786702291
Energy: 1.606870187157933
Energy: 1.2679804883274277
Energy: 1.6715841638979023
Energy: 1.36132223290957
Energy: 1.6715841638979023
Energy: 1.2679804883274277
Energy: 1.6715841638979023
Energy: 1.6429731220754482
Energy: 1.5646288210096826
Energy: 1.2595090579695318
Energy: 1.5646288210096826
Energy: 1.6429731220748087
Energy: 1.5646288210096826
Energy: 1.2589256273232383
Energy: 1.6329704055055496
Energy: 1.3003100179235692
Energy: 1.6415322578340767
Energy: 1.2589256273232383
Energy: 1.6113574940543525
Energy: 1.4593042548650668
Energy: 1.6422172609877541
Energy: 1.2589203220565017
Energy: 1.6422172609877541
Energy: 1.4593042548650668
Energy: 1.6422172609877541
Energy: 1.2636531883865947
Energy: 1.6118844423191654
Energy: 1.2599694225151052
Energy: 1.6118844423191654
Energy: 1.2636531883865947
Energy: 1.5618197583085855
Energy: 1.6909919810307215
Energy: 1.6711077682499007
Energy: 1.2667405797488325
Energy: 1.6711077682499007
Energy: 1.6909919810300817
Energy: 1.6711077682499007
Energy: 1.303099432135003
Energy: 1.642735527853353
Energy: 1.5942220663535374
Energy: 1.642735527853353
Energy: 1.303099432135003
Energy: 1.6116442147862697
Energy: 1.6262051013482997
Energy: 1.671001073547882
Energy: 1.6833316317630742
Energy: 1.671001073547882
Energy: 1.6262051013489391
Energy: 1.6710010735485217
Energy: 1.2596425788513288
Energy: 1.5705550745807957
Energy: 1.6839106098063077
Energy: 1.570555074580156
Energy: 1.259642578850689
Energy: 1.2999727323259276
Energy: 1.2995128948625763
Energy: 1.6713976939003916
Energy: 1.2668983284156896
Energy: 1.671397693901031
Energy: 1.2995128948625763
Energy: 1.6713976939003916
Energy: 1.3033908375427632
Energy: 1.6768269257676929
Energy: 1.5911633546384587
Energy: 1.6768269257676929
Energy: 1.3033908375427632
Energy: 1.6768269257676929
Energy: 1.2595383244619627
Energy: 1.6713684141380822
Energy: 1.2588557386792871
Energy: 1.6713684141380822
Energy: 1.259538324461323
Energy: 1.6713684141380822

minimum gb energy = 1.2588557386792871 eV
minimum distance =  2.5666731324294 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.5909162043688696
Energy: 1.5096833914707772
Energy: 1.3705602908765862
Energy: 1.5096833914707772
Energy: 1.5909162043684206
Energy: 1.5096833914707772
Energy: 2.198489456005993
Energy: 1.1801820688456435
Energy: 1.1205668324129479
Energy: 1.180182068843399
Energy: 2.1984894559472297
Energy: 1.1801820688442968
Energy: 1.5536775023104021
Energy: 1.5186059144493547
Energy: 1.258292753652355
Energy: 1.5186059144498039
Energy: 1.5536775023099532
Energy: 1.5186059144498039
Energy: 1.994837225675152
Energy: 1.1419475980718017
Energy: 1.1201896811972811
Energy: 1.1419475980718017
Energy: 1.994837225667072
Energy: 1.1419475980713527
Energy: 1.2175832356963154
Energy: 1.4971442071045182
Energy: 1.1618095073995407
Energy: 1.4971442071045182
Energy: 1.2175832356967644
Energy: 1.4971442071045182
Energy: 1.8006663900870261
Energy: 1.453006705723247
Energy: 1.1205295953043415
Energy: 1.453006705723247
Energy: 1.8006663900870261
Energy: 1.4530067057236957
Energy: 1.2061844006381601
Energy: 1.4450331195975537
Energy: 1.1268450738840117
Energy: 1.4450331195984514
Energy: 1.2061844006377116
Energy: 1.4450331195984514
Energy: 1.6203771556134439
Energy: 1.4582807959277575
Energy: 1.1178347547373764
Energy: 1.4582807959282065
Energy: 1.6203771556134439
Energy: 1.4582807959282065
Energy: 1.1191837865010636
Energy: 1.4932373822208234
Energy: 1.2451450878490862
Energy: 1.4932373822212721
Energy: 1.1191837865010636
Energy: 1.4932373822212721
Energy: 1.3748330384742418
Energy: 1.4863929009404104
Energy: 1.388510767772396
Energy: 1.4863929009404104
Energy: 1.3748330384737928
Energy: 1.4863929009404104
Energy: 1.1208603750180854
Energy: 1.445306813990245
Energy: 1.4152389952895073
Energy: 1.4453068139911425
Energy: 1.1208603750180854
Energy: 1.4453068139911425
Energy: 1.8078006218470442
Energy: 1.509181782301957
Energy: 1.4363509469311246
Energy: 1.509181782301957
Energy: 1.8078006218465956
Energy: 1.5091817823015081
Energy: 1.4193793679157467
Energy: 1.4939812530447774
Energy: 1.6966514149879923
Energy: 1.493981253045675
Energy: 1.419379367915298
Energy: 1.493981253045675
Energy: 1.382541363282775
Energy: 1.508229471662715
Energy: 1.797467456543781
Energy: 1.5082294716631637
Energy: 1.382541363283224
Energy: 1.5082294716631637
Energy: 1.3806609968504588
Energy: 1.445157499530869
Energy: 1.797260679008727
Energy: 1.445157499530869
Energy: 1.3806609968500099
Energy: 1.445157499529522
Energy: 1.3951775815631227
Energy: 1.509332039559125
Energy: 1.4370881437454992
Energy: 1.509332039559125
Energy: 1.3951775815631227
Energy: 1.509332039559125
Energy: 1.4195926383260231
Energy: 1.4910271447167858
Energy: 1.6069505018732446
Energy: 1.4910271447167858
Energy: 1.4195926383260231
Energy: 1.4910271447167858
Energy: 1.1265712247402322
Energy: 1.507543527909349
Energy: 1.4150259011775768
Energy: 1.5075435279089002
Energy: 1.1265712247402322
Energy: 1.5075435279089002
Energy: 1.3806228077900122
Energy: 1.486808521061462
Energy: 1.4146568757562707
Energy: 1.486808521061462
Energy: 1.3806228077900122
Energy: 1.486808521061462
Energy: 1.124985210954391
Energy: 1.5098202891645423
Energy: 1.1181119754272055
Energy: 1.5098202891645423
Energy: 1.12498521095484
Energy: 1.5098202891649912
Energy: 1.4196696318902169
Energy: 1.4804995418033424
Energy: 1.375195037449365
Energy: 1.4804995418037912
Energy: 1.4196696318902169
Energy: 1.4804995418037912
Energy: 1.118466525330642
Energy: 1.5077107333276465
Energy: 1.1205519500426082
Energy: 1.5077107333285442
Energy: 1.118466525330642
Energy: 1.5077107333289932
Energy: 1.8135651468343132
Energy: 1.4924851369974586
Energy: 1.126518157102654
Energy: 1.4924851369979075
Energy: 1.8135651468347624
Energy: 1.4924851369970096
Energy: 1.1332831373710408
Energy: 1.5097297486147172
Energy: 1.1203434198421034
Energy: 1.5097297486138195
Energy: 1.1332831373696943
Energy: 1.5097297486133705
Energy: 1.7950912694476986
Energy: 1.4829001078998834
Energy: 1.3343127139291906
Energy: 1.4829001078998834
Energy: 1.7950912694481473
Energy: 1.4829001078998834
Energy: 1.432234441724039
Energy: 1.5074800652884615
Energy: 1.1406218125081935
Energy: 1.50748006528891
Energy: 1.4322344417258344
Energy: 1.50748006528891
Energy: 2.216264421014732
Energy: 1.1439782998838781
Energy: 1.1267470429671598
Energy: 1.1439782998870203
Energy: 2.2162644209182627
Energy: 1.1439782998870203
Energy: 1.4717880877443703
Energy: 1.5056859476598203
Energy: 1.3808845493168391
Energy: 1.5056859476598203
Energy: 1.4717880877448193
Energy: 1.5056859476598203
Energy: 1.7842202456003193
Energy: 1.4636282395392524
Energy: 1.268725097139749
Energy: 1.4636282395388034
Energy: 1.784220245601217
Energy: 1.4636282395388034
Energy: 1.4333686276992408
Energy: 1.5069719123238632
Energy: 1.4080535622998258
Energy: 1.5069719123229652
Energy: 1.4333686276996895
Energy: 1.5069719123238632
Energy: 1.8243247914719831
Energy: 1.3573588315228837
Energy: 1.1264344832952837
Energy: 1.3573588315233325
Energy: 1.8243247915787772
Energy: 1.3573588315228837
Energy: 1.1329006351588404
Energy: 1.4842462882444707
Energy: 1.2625428690878924
Energy: 1.4842462882444707
Energy: 1.132900635157494
Energy: 1.4842462882444707
Energy: 1.6113560927429404
Energy: 1.4409075012483075
Energy: 1.1256447874410216
Energy: 1.4409075012487564
Energy: 1.611356092741594
Energy: 1.4409075012492056
Energy: 1.1188463700474713
Energy: 1.4473373975173363
Energy: 1.6036712650624396
Energy: 1.4473373975168873
Energy: 1.1188463700474713
Energy: 1.4473373975173363
Energy: 1.6049713031318724
Energy: 1.447346995009995
Energy: 1.118859536913869
Energy: 1.4473469950095461
Energy: 1.6049713031336679
Energy: 1.4473469950090971
Energy: 1.1257743552010084
Energy: 1.4408964824259398
Energy: 1.6208002390320706
Energy: 1.440896482425491
Energy: 1.1257743552014574
Energy: 1.440896482425491
Energy: 1.26258252777964
Energy: 1.4842672093567784
Energy: 1.133570799815275
Energy: 1.4842672093567784
Energy: 1.262582527780538
Energy: 1.4842672093567784
Energy: 1.1264263839061466
Energy: 1.3573355455185407
Energy: 1.820611863243539
Energy: 1.3573355455189897
Energy: 1.1264263839065953
Energy: 1.3573355455189897
Energy: 1.4080535622984791
Energy: 1.506957154613504
Energy: 1.4333497086714275
Energy: 1.5069571546139533
Energy: 1.4080535622975812
Energy: 1.5069571546139533
Energy: 1.3943851738132922
Energy: 1.4637690003161477
Energy: 1.7843952886812382
Energy: 1.4637690003161477
Energy: 1.3943851738132922
Energy: 1.4637690003139032
Energy: 1.3806056538154319
Energy: 1.505311722755785
Energy: 1.472083558646138
Energy: 1.505311722755785
Energy: 1.380605653814983
Energy: 1.5053117227562343
Energy: 1.1264587103403971
Energy: 1.14396895759428
Energy: 2.2188818691351258
Energy: 1.14396895759428
Energy: 1.1264587103403971
Energy: 1.143968957593831
Energy: 1.1405184999536373
Energy: 1.5074576545087488
Energy: 1.4327182492710466
Energy: 1.5074576545091976
Energy: 1.140518499954086
Energy: 1.5074576545087488
Energy: 1.3955625402936627
Energy: 1.482903853416776
Energy: 1.7874233012247596
Energy: 1.482903853417674
Energy: 1.3955625402936627
Energy: 1.482903853417674
Energy: 1.1203872205613727
Energy: 1.5099621240334584
Energy: 1.1335187491402539
Energy: 1.5099621240334584
Energy: 1.1203872205609238
Energy: 1.5099621240339074
Energy: 1.1269610058547803
Energy: 1.4924851369970096
Energy: 1.8129220664732422
Energy: 1.492485136996112
Energy: 1.1269610058543316
Energy: 1.492485136996112
Energy: 1.120419991554305
Energy: 1.507754407636647
Energy: 1.118689347654682
Energy: 1.5077544076370955
Energy: 1.120419991553856
Energy: 1.5077544076370955

minimum gb energy = 1.1178347547373764 eV
minimum distance =  2.61061597427319 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.34863660839527555
Energy: 0.3496599270860349
Energy: 1.1898612349332505
Energy: 0.34965992708722804
Energy: 0.34863660839496874
Energy: 0.34965992708692123
Energy: 0.3615726555868739
Energy: 1.0715404928426697
Energy: 0.8438692191751304
Energy: 1.0715404928429766
Energy: 0.3615726555868739
Energy: 1.0715404928429766
Energy: 0.34863660839496874
Energy: 0.3496599270863417
Energy: 1.189861234933557
Energy: 0.34965992708692123
Energy: 0.34863660839496874
Energy: 0.3496599270866485
Energy: 0.3615726555865671
Energy: 1.0715404928426697
Energy: 0.8438692081626478
Energy: 1.0715404928426697
Energy: 0.3615726555868739
Energy: 1.0715404928426697
Energy: 0.34863660839527555
Energy: 0.3496599270860349
Energy: 1.8741067711823696
Energy: 0.34965992708722804
Energy: 0.34863660839527555
Energy: 0.34965992708692123
Energy: 0.3615726555868739
Energy: 1.0715404928426697
Energy: 0.843869213933984
Energy: 1.0715404928429766
Energy: 0.3615726555865671
Energy: 1.0715404928429766
Energy: 0.34863660839496874
Energy: 0.3496599270866485
Energy: 1.9789204986582702
Energy: 0.34965992708722804
Energy: 0.34863660839496874
Energy: 0.34965992708692123

minimum gb energy = 0.34863660839496874 eV
minimum distance =  2.80977902264269 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.9606664560300038
Energy: 1.5205856263757347
Energy: 1.2951961848990325
Energy: 1.5205856263773678
Energy: 1.9606664560312657
Energy: 1.5205856263769222
Energy: 2.1317485520557335
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Energy: 1.5184575940134053
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Energy: 1.1968861589171826
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Energy: 1.1968861589184447
Energy: 1.4439443844207205
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Energy: 1.479056102288545
Energy: 1.5170245875106287
Energy: 1.4790561022873572
Energy: 1.4739269455733033
Energy: 1.4790561022873572
Energy: 1.1813084448045323
Energy: 1.373934519925428
Energy: 1.825155150761442
Energy: 1.3739345199213455
Energy: 1.1813084448041613
Energy: 1.3739345199213455
Energy: 1.1795005541677086
Energy: 1.4565097822218185
Energy: 1.5219235177379116
Energy: 1.456509782222635
Energy: 1.1795005541677086
Energy: 1.4565097822230804
Energy: 1.1250382247249446
Energy: 1.3299633336838772
Energy: 1.7594707219010215
Energy: 1.3299633336859555
Energy: 1.1250382247249446
Energy: 1.3299633336859555
Energy: 1.178698446043551
Energy: 1.4855550058184213
Energy: 1.8550543553497343
Energy: 1.4855550058188667
Energy: 1.178698446043922
Energy: 1.4855550058188667
Energy: 1.107377740597493
Energy: 1.1858082980341142
Energy: 2.031156634254755
Energy: 1.1858082980329265
Energy: 1.1073777405979384
Energy: 1.18580829803211
Energy: 1.125423391040627
Energy: 1.5041080422991866
Energy: 1.7897373432050931
Energy: 1.5041080422975537
Energy: 1.125423391040627
Energy: 1.5041080422971824
Energy: 1.1277547312038196
Energy: 1.1278048969494852
Energy: 1.9528776160883703
Energy: 1.127804896952306
Energy: 1.1277547312038196
Energy: 1.1278048969511185
Energy: 1.2017230916170605
Energy: 1.4856623483495752
Energy: 1.8563854181321064
Energy: 1.485662348350392
Energy: 1.201723091616244
Energy: 1.485662348350392
Energy: 1.1159733180297229
Energy: 1.1274590231243908
Energy: 2.0317545632038274
Energy: 1.1274590231264692
Energy: 1.1159733180297229
Energy: 1.1274590231264692
Energy: 1.1960136508248609
Energy: 1.4564344425687532
Energy: 1.5166026948366493
Energy: 1.4564344425700153
Energy: 1.196013650825232
Energy: 1.4564344425695699
Energy: 1.2056484686553348
Energy: 1.2048442096589156
Energy: 1.67156688144943
Energy: 1.2048442096589156
Energy: 1.20564846865578
Energy: 1.204844209659732
Energy: 1.46719817178028
Energy: 1.444054995548629
Energy: 1.5174670887452755
Energy: 1.444054995551895
Energy: 1.4671981717778304
Energy: 1.444054995551895

minimum gb energy = 1.1068337300147144 eV
minimum distance =  2.60052187814401 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.8130377065269667
Energy: 1.6919363479546141
Energy: 1.4616535190384763
Energy: 1.691936347954054
Energy: 1.8130377065264063
Energy: 1.691936347954054
Energy: 2.1256768892924893
Energy: 1.2724698240246992
Energy: 1.233851912686408
Energy: 1.2724698240246992
Energy: 2.125676889291929
Energy: 1.2724698240241392
Energy: 1.7179113911104216
Energy: 1.662385732907375
Energy: 1.434496987613247
Energy: 1.6623857329068144
Energy: 1.7179113911093011
Energy: 1.6623857329068144
Energy: 1.619139331283334
Energy: 1.2321689311977984
Energy: 1.2338705970208839
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Energy: 1.6191393312838942
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Energy: 1.2875905337731401
Energy: 1.2266627641735577
Energy: 1.349775990732734
Energy: 1.2266627641729977
Energy: 1.2875905337725797
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Energy: 1.4385442176522327
Energy: 1.566890601673751
Energy: 1.2343083693565866
Energy: 1.5668906016743114
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Energy: 1.5668906016743114
Energy: 1.2522913537295333
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Energy: 1.44214531928902
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Energy: 1.7151415958452603
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Energy: 1.2257875079598446
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Energy: 1.2257875079604048
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Energy: 1.2267832662010074
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Energy: 1.226659031575312
Energy: 1.6095035431092684
Energy: 1.6182114339687663
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Energy: 1.226659031575312
Energy: 1.6095035431098283
Energy: 1.2264425667704317
Energy: 1.6775487117742574
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Energy: 1.2264425667704317
Energy: 1.6775487117748176
Energy: 1.225841792257263
Energy: 1.563127965384846
Energy: 1.5272934922437638
Energy: 1.5631279653842856
Energy: 1.225841792257263
Energy: 1.5631279653842856
Energy: 1.6184167232240732
Energy: 1.6476140638756294
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Energy: 1.6476140638750691
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Energy: 1.6572835893831526
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Energy: 1.6184295861315785
Energy: 1.657283589383713
Energy: 1.6486016452698922
Energy: 1.6774443769121476
Energy: 1.2336101763562917
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Energy: 1.6486016452693317
Energy: 1.6774443769115874
Energy: 1.648451152207201
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Energy: 1.5396917831123051
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Energy: 1.6484511522083216
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Energy: 2.1329776565864287
Energy: 1.6477977238015955
Energy: 1.2355207899724765
Energy: 1.647797723801035
Energy: 2.132977656585308
Energy: 1.647797723801035
Energy: 2.145441092146008
Energy: 1.6477781500840625
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Energy: 2.145441092144888
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Energy: 1.6483083716220195
Energy: 1.648353903285544
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Energy: 1.6483083716231401
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Energy: 1.6774415868481114
Energy: 1.2336370464266457
Energy: 1.6774415868481114
Energy: 1.6485823969111997
Energy: 1.6774415868475512
Energy: 1.6184825403771803
Energy: 1.6573006299206512
Energy: 1.2358200742311038
Energy: 1.6573006299206512
Energy: 1.6184825403771803
Energy: 1.6573006299206512
Energy: 1.6185484173843911
Energy: 1.6476372160223145
Energy: 1.2346186774001966
Energy: 1.6476372160217543
Energy: 1.6185484173843911
Energy: 1.6476372160217543
Energy: 1.2258353712990138
Energy: 1.5631485469071396
Energy: 1.421535976222755
Energy: 1.5631485469071396
Energy: 1.2258353712990138
Energy: 1.5631485469071396
Energy: 1.2264387568364863
Energy: 1.6774771979800416
Energy: 1.2725968338455742
Energy: 1.677477197980602
Energy: 1.2264387568364863
Energy: 1.677477197980602
Energy: 1.2266118351472863
Energy: 1.6095035431092684
Energy: 1.6185107927790476
Energy: 1.6095035431092684
Energy: 1.2266118351472863
Energy: 1.6095035431092684
Energy: 1.2267961331573112
Energy: 1.6473662724837546
Energy: 1.64936015052227
Energy: 1.6473662724837546
Energy: 1.226796133156751
Energy: 1.6473662724837546
Energy: 1.225866937768968
Energy: 1.6213317036521717
Energy: 1.8713946522522837
Energy: 1.6213317036527322
Energy: 1.225866937768968
Energy: 1.6213317036527322
Energy: 1.2552052920169368
Energy: 1.677150330857438
Energy: 1.7150827802970856
Energy: 1.6771503308568778
Energy: 1.2552052920169368
Energy: 1.6771503308568778
Energy: 1.2267470241500327
Energy: 1.2298801068035037
Energy: 1.8985912410722066
Energy: 1.2298801068046241
Energy: 1.2267470241494727
Energy: 1.2298801068046241
Energy: 1.2928933344715274
Energy: 1.6473308640788413
Energy: 1.6553396198273376
Energy: 1.647330864078281
Energy: 1.2928933344709672
Energy: 1.6473308640788413
Energy: 1.2258510647909378
Energy: 1.2278079771069832
Energy: 1.6949242888505867
Energy: 1.2278079771069832
Energy: 1.2258510647909378
Energy: 1.227807977106423
Energy: 1.254112759581655
Energy: 1.5571733927635123
Energy: 1.2726392475720996
Energy: 1.5571733927635123
Energy: 1.2541127595810946
Energy: 1.5571733927640725
Energy: 1.2523029633290153
Energy: 1.228125987680571
Energy: 1.4422473219854564
Energy: 1.2281259876800106
Energy: 1.2523029633295757
Energy: 1.22812598767889

minimum gb energy = 1.2257875079598446 eV
minimum distance =  2.63381811226684 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.9863883591530827
Energy: 1.8136280812707062
Energy: 1.815830418793203
Energy: 1.8136280812707062
Energy: 1.9863883591530827
Energy: 1.8136280812707062
Energy: 1.813787736298729
Energy: 1.3800234530588684
Energy: 1.3087927914849358
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Energy: 1.813787736298729
Energy: 1.3800234530588684
Energy: 1.4015211460983124
Energy: 1.3085930555581753
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Energy: 1.305900213502917
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Energy: 1.3336825477352419
Energy: 1.7419794484450395
Energy: 1.5844361937003384
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Energy: 1.7226715444425418
Energy: 1.3086232177624066
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Energy: 1.3098703590919094
Energy: 1.5647161734734287
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Energy: 1.3085157474458107
Energy: 1.3098703590925977
Energy: 1.4078148867298967
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Energy: 1.3842006110522516
Energy: 1.7121638310579432
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Energy: 1.7121638310579432
Energy: 1.3048635385916185
Energy: 1.305913704186795
Energy: 1.7126321981302777
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Energy: 1.3048635385916185
Energy: 1.3059137041861066
Energy: 1.3325452993056774
Energy: 1.7955686561723023
Energy: 1.8743995470026247
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Energy: 1.3325452993063656
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Energy: 1.3086095691845996
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Energy: 1.5637097237896291
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Energy: 1.3055767868141765
Energy: 1.7120245376086514
Energy: 1.384039763876502
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Energy: 1.3055767868141765
Energy: 1.7120245376086514
Energy: 1.3047580570442345
Energy: 1.3053423825521635
Energy: 1.8179781497989123
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Energy: 1.3047580570442345
Energy: 1.3053423825521635
Energy: 1.3100828852656698
Energy: 1.7940171114331507
Energy: 1.313150626592506
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Energy: 1.3100828852656698
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Energy: 1.3086369693829947
Energy: 1.718816511985581
Energy: 1.305063002045379
Energy: 1.718816511985581
Energy: 1.3086369693829947
Energy: 1.718816511985581
Energy: 1.81351120281075
Energy: 1.311150929476033
Energy: 1.3083231758708407
Energy: 1.311150929475345
Energy: 1.81351120281075
Energy: 1.311150929476033
Energy: 1.8134878271688386
Energy: 1.7103078039508688
Energy: 1.86186375466311
Energy: 1.7103078039501807
Energy: 1.8134878271688386
Energy: 1.7103078039501807
Energy: 1.8734047429342684
Energy: 1.7945464763980379
Energy: 1.3123076655149977
Energy: 1.7945464763980379
Energy: 1.8734047429335803
Energy: 1.7945464763973498
Energy: 1.8734147975660076
Energy: 1.792966196623288
Energy: 1.3048990134617668
Energy: 1.7929661966225998
Energy: 1.8734147975660076
Energy: 1.7929661966225998
Energy: 1.8135674163818338
Energy: 1.8041639397779683
Energy: 1.3136449261011762
Energy: 1.8041639397779683
Energy: 1.8135674163818338
Energy: 1.8041639397772797
Energy: 1.8138119651496232
Energy: 1.8545428053020248
Energy: 1.308550437077313
Energy: 1.8545428053020248
Energy: 1.8138119651496232
Energy: 1.8545428053020248
Energy: 1.3095064006751693
Energy: 1.7189680666523588
Energy: 1.3049349868383673
Energy: 1.7189680666523588
Energy: 1.3095064006751693
Energy: 1.7189680666523588
Energy: 1.3091211592031444
Energy: 1.7928561940300312
Energy: 1.3117655768700283
Energy: 1.7928561940300312
Energy: 1.3091211592031444
Energy: 1.7928561940300312
Energy: 1.3057583456488497
Energy: 1.7786122000879618
Energy: 1.3087209815901062
Energy: 1.7786122000886506
Energy: 1.3057583456495383
Energy: 1.7786122000886506
Energy: 1.3047886068770151
Energy: 1.8544128732250553
Energy: 1.3849165840706938
Energy: 1.8544128732250553
Energy: 1.304788606876327
Energy: 1.8544128732250553
Energy: 1.3092145777305784
Energy: 1.778708605146025
Energy: 1.8143582363309751
Energy: 1.7787086051467131
Energy: 1.30921457772989
Energy: 1.778708605146025
Energy: 1.3345816315569041
Energy: 1.7926643601968084
Energy: 1.872112495809008
Energy: 1.792664360197497
Energy: 1.3345816315569041
Energy: 1.792664360197497
Energy: 1.3058524517477526
Energy: 1.7687207093971764
Energy: 1.6298998274074834
Energy: 1.7687207093971764
Energy: 1.3058524517477526
Energy: 1.7687207093971764
Energy: 1.3779164922927503
Energy: 1.7107550466755246
Energy: 1.3859130936571193
Energy: 1.7107550466755246
Energy: 1.3779164922927503
Energy: 1.7107550466755246
Energy: 1.3092741351812964
Energy: 1.3097482575229122
Energy: 1.5626097622928228
Energy: 1.309748257524289
Energy: 1.3092741351806083
Energy: 1.3097482575229122
Energy: 1.3068303356541395
Energy: 1.7207662307245963
Energy: 1.311622050998263
Energy: 1.7207662307245963
Energy: 1.3068303356541395
Energy: 1.7207662307245963

minimum gb energy = 1.3047580570442345 eV
minimum distance =  2.5629749502313 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.5389218495486443
Energy: 1.9500355844131592
Energy: 1.992452128739336
Energy: 1.9500355844131592
Energy: 1.5389218495486443
Energy: 1.9500355844131592
Energy: 1.4359941779251124
Energy: 1.5066889768460003
Energy: 1.4243140972596267
Energy: 1.5066889768460003
Energy: 1.4359941779251124
Energy: 1.5066889768460003
Energy: 1.4313024828390561
Energy: 1.9494040588949573
Energy: 1.6566384765491697
Energy: 1.9494040588949573
Energy: 1.4313024828390561
Energy: 1.9494040588949573
Energy: 1.4322171489072135
Energy: 1.408485712373024
Energy: 1.423582221310881
Energy: 1.408485712373024
Energy: 1.4322171489063225
Energy: 1.408485712373024
Energy: 1.418480449441104
Energy: 1.4328233329970033
Energy: 1.6162053822897233
Energy: 1.4328233329970033
Energy: 1.4184804494419954
Energy: 1.4328233329970033
Energy: 1.4261123437268477
Energy: 1.9359417953722018
Energy: 1.426278404199473
Energy: 1.9359417953722018
Energy: 1.426112343727739
Energy: 1.9359417953722018
Energy: 1.4046447836525058
Energy: 1.6944610853145357
Energy: 1.421498826648584
Energy: 1.6944610853145357
Energy: 1.4046447836525058
Energy: 1.6944610853145357
Energy: 1.4243160009607783
Energy: 1.9323633287655384
Energy: 1.5367735704783174
Energy: 1.9323633287655384
Energy: 1.4243160009607783
Energy: 1.9323633287646478
Energy: 1.4187375528839854
Energy: 1.5044064669331403
Energy: 1.61523874426242
Energy: 1.5044064669340316
Energy: 1.4187375528848765
Energy: 1.5044064669331403
Energy: 1.4104549857765571
Energy: 1.9359891639673625
Energy: 1.4266619336359643
Energy: 1.9359891639673625
Energy: 1.4104549857756659
Energy: 1.9359891639673625
Energy: 1.4046129597090193
Energy: 1.405428075085032
Energy: 1.405021029285456
Energy: 1.4054280750859234
Energy: 1.4046129597090193
Energy: 1.4054280750859234
Energy: 1.422926761111848
Energy: 1.6971675118804739
Energy: 1.4238421579378642
Energy: 1.697167511879583
Energy: 1.422926761111848
Energy: 1.697167511879583
Energy: 1.419095094389476
Energy: 1.932219307968154
Energy: 1.4986985709849314
Energy: 1.932219307968154
Energy: 1.419095094389476
Energy: 1.932219307968154
Energy: 1.4192492231815041
Energy: 1.692078206405156
Energy: 1.4096948775949658
Energy: 1.692078206405156
Energy: 1.4192492231806126
Energy: 1.692078206405156
Energy: 1.4214033290397392
Energy: 1.930620134438178
Energy: 1.406955365016905
Energy: 1.930620134438178
Energy: 1.4214033290415216
Energy: 1.930620134438178
Energy: 1.422630481502497
Energy: 1.9697772173441008
Energy: 1.4241222142327856
Energy: 1.9697772173432095
Energy: 1.4226304815033881
Energy: 1.9697772173441008
Energy: 1.4190690400503903
Energy: 1.697944761777639
Energy: 1.4048757592667236
Energy: 1.697944761777639
Energy: 1.4190690400503903
Energy: 1.697944761777639
Energy: 1.4113105933538626
Energy: 1.4486172147680971
Energy: 1.4112849119398907
Energy: 1.4486172147689882
Energy: 1.4113105933538626
Energy: 1.4486172147689882
Energy: 1.40468174328184
Energy: 1.6981643769165808
Energy: 1.4191099486650098
Energy: 1.6981643769165808
Energy: 1.4046817432827312
Energy: 1.6981643769174724
Energy: 1.4241913219443607
Energy: 1.9698024948508064
Energy: 1.4225851424759863
Energy: 1.9698024948508064
Energy: 1.4241913219443607
Energy: 1.9698024948508064
Energy: 1.4071269861024314
Energy: 1.930615250537232
Energy: 1.4217407651426779
Energy: 1.930615250536341
Energy: 1.4071269861024314
Energy: 1.930615250536341
Energy: 1.4096948628842096
Energy: 1.7300481537350139
Energy: 1.4193834895587305
Energy: 1.7300481537350139
Energy: 1.4096948628842096
Energy: 1.7300481537350139
Energy: 1.448843869484582
Energy: 1.9323624475541084
Energy: 1.4191281279275545
Energy: 1.9323624475541084
Energy: 1.4488438694836907
Energy: 1.9323624475541084
Energy: 1.4238705147929132
Energy: 1.6970790564644835
Energy: 1.4229202391885516
Energy: 1.6970790564644835
Energy: 1.423870514792022
Energy: 1.6970790564644835

minimum gb energy = 1.4046129597090193 eV
minimum distance =  2.56629278576469 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.5366628290145914
Energy: 1.5354797861600828
Energy: 1.7622742231760977
Energy: 1.5354797861600828
Energy: 1.5366628290145914
Energy: 1.5354797861600828
Energy: 1.5238944550195843
Energy: 1.5115590432472794
Energy: 1.512324812708605
Energy: 1.5115590432472794
Energy: 1.5238944550195843
Energy: 1.5115590432472794
Energy: 1.5107626613752547
Energy: 1.51195999551405
Energy: 1.5230757949286462
Energy: 1.51195999551405
Energy: 1.5107626613752547
Energy: 1.5119599955153102
Energy: 1.5242960517717
Energy: 1.5102370918337635
Energy: 1.5099189054752646
Energy: 1.5102370918337635
Energy: 1.5242960517717
Energy: 1.5102370918337635
Energy: 1.5103572797580536
Energy: 1.511033981558407
Energy: 1.8947762527844598
Energy: 1.511033981558407
Energy: 1.5103572797567932
Energy: 1.511033981558407
Energy: 1.5119519888025363
Energy: 1.535898823100039
Energy: 1.5376455794476358
Energy: 1.535898823100039
Energy: 1.5119519888025363
Energy: 1.535898823100039
Energy: 1.5165028168585806
Energy: 1.7183752817719213
Energy: 1.5280978433120636
Energy: 1.7183752817719213
Energy: 1.5165028168585806
Energy: 1.7183752817719213
Energy: 1.5114488511679023
Energy: 1.923855116927685
Energy: 1.5100686573424127
Energy: 1.923855116927685
Energy: 1.511448851166642
Energy: 1.923855116927685
Energy: 1.5104689175023547
Energy: 1.5105590035832452
Energy: 1.718415996235001
Energy: 1.5105590035845056
Energy: 1.5104689175023547
Energy: 1.5105590035845056
Energy: 1.5366411511104763
Energy: 1.4961973606407737
Energy: 1.5123463335342753
Energy: 1.4961973606407737
Energy: 1.5366411511104763
Energy: 1.4961973606407737
Energy: 1.5414775890945673
Energy: 1.519043972240858
Energy: 1.510520971257249
Energy: 1.5190439722395976
Energy: 1.5414775890945673
Energy: 1.519043972240858
Energy: 1.51017625175843
Energy: 1.5131274919935869
Energy: 1.5200266692142712
Energy: 1.5131274919935869
Energy: 1.5101762517596904
Energy: 1.5131274919935869
Energy: 1.5104960726289196
Energy: 1.7289266918482769
Energy: 1.5108705433418088
Energy: 1.7289266918482769
Energy: 1.5104960726289196
Energy: 1.7289266918482769
Energy: 1.5129438921055491
Energy: 1.5123367139047108
Energy: 1.5141955124281907
Energy: 1.5123367139047108
Energy: 1.5129438921042888
Energy: 1.5123367139047108
Energy: 1.5169029736843869
Energy: 1.8862202890392572
Energy: 1.5363475441845398
Energy: 1.8862202890392572
Energy: 1.5169029736856472
Energy: 1.8862202890392572
Energy: 1.519095352926948
Energy: 1.5135639735864943
Energy: 1.537707073154444
Energy: 1.5135639735877549
Energy: 1.519095352926948
Energy: 1.5135639735877549
Energy: 1.510768877893343
Energy: 1.514011895137244
Energy: 1.5107568360744072
Energy: 1.514011895137244
Energy: 1.510768877893343
Energy: 1.514011895137244

minimum gb energy = 1.4961973606407737 eV
minimum distance =  2.60691375203996 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.257484729324166
Energy: 2.1033836015958607
Energy: 1.7017384034741807
Energy: 2.1033836015953744
Energy: 2.257484729324166
Energy: 2.1033836015958607
Energy: 1.8845575851323892
Energy: 1.5154320667631949
Energy: 1.5038612668016216
Energy: 1.5154320667636816
Energy: 1.8845575851304428
Energy: 1.5154320667636816
Energy: 1.5138917779628631
Energy: 1.6309038966702458
Energy: 1.8449081656469397
Energy: 1.6309038966702458
Energy: 1.5138917779628631
Energy: 1.630903896669759
Energy: 1.5129252220929947
Energy: 1.498124716174083
Energy: 1.648845593034668
Energy: 1.498124716175543
Energy: 1.5129252220929947
Energy: 1.4981247161760296
Energy: 1.5025673808191748
Energy: 1.5587887701246486
Energy: 1.929468061153804
Energy: 1.5587887701246486
Energy: 1.5025673808191748
Energy: 1.5587887701246486
Energy: 1.641272934874639
Energy: 1.5110757192973916
Energy: 1.6902398998272234
Energy: 1.5110757192964184
Energy: 1.6412729348751256
Energy: 1.5110757192959317
Energy: 1.505090351215923
Energy: 1.653825955414354
Energy: 1.8900309059806681
Energy: 1.6538259554133807
Energy: 1.505090351215436
Energy: 1.6538259554124073
Energy: 1.8570143971169693
Energy: 1.500606607500638
Energy: 1.5016976808353533
Energy: 1.5006066074982487
Energy: 1.8570143971169693
Energy: 1.5006066074982487
Energy: 1.6933238381605038
Energy: 1.510719741892963
Energy: 1.5247985405640174
Energy: 1.5107197418939364
Energy: 1.6933238381605038
Energy: 1.5107197418924763
Energy: 1.8487857318076757
Energy: 1.5613128257845228
Energy: 1.5068102405224928
Energy: 1.5613128257850093
Energy: 1.8487857318081624
Energy: 1.5843430672012482
Energy: 1.6520618808712146
Energy: 1.8482871278114652
Energy: 1.6380277890458748
Energy: 1.8482871278114652
Energy: 1.6520618808712146
Energy: 1.8482871278114652
Energy: 1.512331907504134
Energy: 1.5126946104675434
Energy: 1.5261253447381806
Energy: 1.5126946104675434
Energy: 1.5123319075036472
Energy: 1.5126946104675434
Energy: 1.5073180824387427
Energy: 1.501907704227165
Energy: 2.1568769330384425
Energy: 1.5019077042261917
Energy: 1.5073180824392294
Energy: 1.501907704227165
Energy: 1.5151739320615452
Energy: 1.9811032063392868
Energy: 2.2112375375006588
Energy: 1.9811032063422065
Energy: 1.5151739320615452
Energy: 1.9811032063426932
Energy: 1.5234381742383114
Energy: 1.8420149466149587
Energy: 1.6366321611103707
Energy: 1.8420149466149587
Energy: 1.5234381742378247
Energy: 1.8420149466149587
Energy: 1.6497246839053634
Energy: 1.8841866209345863
Energy: 1.526495269983679
Energy: 1.8841866209345863
Energy: 1.64972468390585
Energy: 2.0417017047990678
Energy: 1.6487909317944536
Energy: 1.4976962509095313
Energy: 1.5289409898226227
Energy: 1.4976962509119647
Energy: 1.6487909317949405
Energy: 1.4976962509095313
Energy: 2.1302458001408864
Energy: 1.9129085537361947
Energy: 1.522053523995556
Energy: 1.9129085537366817
Energy: 2.1302458001408864
Energy: 1.9129085537366817
Energy: 2.022729334711815
Energy: 1.8448641573716145
Energy: 1.511662176078974
Energy: 1.844864157372101
Energy: 2.0227293347113284
Energy: 1.8448641573716145
Energy: 1.5011554779068228
Energy: 1.924299692382498
Energy: 1.5012214416914813
Energy: 1.9242996923820113
Energy: 1.501155477907309
Energy: 1.8852009489727264
Energy: 1.5116490112059848
Energy: 1.844969030903133
Energy: 2.128554707306917
Energy: 1.844969030903133
Energy: 1.5116490112059848
Energy: 1.844969030903133
Energy: 1.5220682491510875
Energy: 1.9106898460894264
Energy: 2.1302065456396773
Energy: 1.910689846089913
Energy: 1.5220682491510875
Energy: 1.9106898460894264
Energy: 1.5055426467052047
Energy: 1.4977524959499815
Energy: 1.6486613665009884
Energy: 1.4977524959509547
Energy: 1.5055426467052047
Energy: 1.4977524959509547
Energy: 1.5265109298103716
Energy: 1.64443518398637
Energy: 1.6498609614688453
Energy: 1.64443518398637
Energy: 1.5265109298103716
Energy: 1.64443518398637
Energy: 1.6366211729148965
Energy: 1.8414034641591044
Energy: 1.5262283779896748
Energy: 1.8414034641591044
Energy: 1.636621172915383
Energy: 1.841403464160564
Energy: 2.211581193436332
Energy: 1.981517003660792
Energy: 1.515243409457522
Energy: 1.9815170036617655
Energy: 2.211581193436332
Energy: 1.981517003660792
Energy: 2.1568044267124535
Energy: 1.5016090123145276
Energy: 1.5073585365254938
Energy: 1.5016090123145276
Energy: 2.1568044267134265
Energy: 1.501609012314041
Energy: 1.5260468181382065
Energy: 1.512401286115126
Energy: 1.5124035526813586
Energy: 1.5124012861146392
Energy: 1.5260468181377198
Energy: 1.5124012861160991
Energy: 1.6383626679956769
Energy: 1.8480169741686905
Energy: 1.6520621192747391
Energy: 1.8480169741686905
Energy: 1.6383626679951901
Energy: 1.8480169741682038
Energy: 1.5068258690842118
Energy: 1.59855987112674
Energy: 1.8487824029385058
Energy: 1.5985598711262534
Energy: 1.506825869083725
Energy: 1.5985598711262534
Energy: 1.5244923906977195
Energy: 1.511013284402175
Energy: 1.6935243696858342
Energy: 1.5110132844036348
Energy: 1.5244923906977195
Energy: 1.5110132844016884
Energy: 1.5017040937674289
Energy: 1.5005585639708265
Energy: 1.857224674643122
Energy: 1.5005585639713133
Energy: 1.5017040937674289
Energy: 1.5005585639708265
Energy: 1.8892214320310925
Energy: 1.6539764368433023
Energy: 1.505092189528157
Energy: 1.6539764368433023
Energy: 1.8892214320325524
Energy: 1.6539764368433023
Energy: 1.6902150957606896
Energy: 1.511507933664411
Energy: 1.6413066207762215
Energy: 1.511507933664411
Energy: 1.6902150957606896
Energy: 1.5115079336648978
Energy: 1.870681034322114
Energy: 1.5587887701231884
Energy: 1.502574691410954
Energy: 1.5587887701236751
Energy: 1.870681034322114
Energy: 1.5587887701231884
Energy: 1.648800685645686
Energy: 1.4978110244828344
Energy: 1.512884424382831
Energy: 1.4978110244838079
Energy: 1.6488006856451995
Energy: 1.4978110244808878
Energy: 1.8447852899254404
Energy: 1.630740155392723
Energy: 1.5138811801858176
Energy: 1.630740155392723
Energy: 1.8447852899225203
Energy: 1.6307401553922363
Energy: 1.5038804493655642
Energy: 1.5154612338482416
Energy: 1.8845821907688725
Energy: 1.5154612338487283
Energy: 1.5038804493655642
Energy: 1.5154612338487283
Energy: 1.596045872553526
Energy: 2.103383601596834
Energy: 2.2574847293236795
Energy: 2.1033836015953744
Energy: 1.5960458725574191
Energy: 2.1033836015948872
Energy: 1.5038612668011349
Energy: 1.5154320667631949
Energy: 1.8845575851328762
Energy: 1.5154320667631949
Energy: 1.5038612668011349
Energy: 1.5154320667631949
Energy: 1.844908165647913
Energy: 1.6309038966717058
Energy: 1.5138917779633498
Energy: 1.6309038966717058
Energy: 1.8449081656483997
Energy: 1.6309038966717058
Energy: 1.648845593034668
Energy: 1.4981247161750562
Energy: 1.5129252220925082
Energy: 1.4981247161745697
Energy: 1.6488455930341812
Energy: 1.4981247161745697
Energy: 1.9294680611547776
Energy: 1.5587887701241616
Energy: 1.5025673808196616
Energy: 1.5587887701241616
Energy: 1.9294680611542907
Energy: 1.5587887701241616

minimum gb energy = 1.4976962509095313 eV
minimum distance =  2.5871897261768 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.721283643662339
Energy: 1.468941113040627
Energy: 1.7520086261755
Energy: 1.468941113042212
Energy: 1.721283643662339
Energy: 1.4689411130430043
Energy: 1.6194783403880022
Energy: 1.475394445445526
Energy: 1.4760042336232027
Energy: 1.4753944454423562
Energy: 1.6194783403872097
Energy: 1.4753944454423562
Energy: 1.4685824906316458
Energy: 1.669529945132264
Energy: 1.8363203320781916
Energy: 1.669529945132264
Energy: 1.4685824906316458
Energy: 1.6695299451314718
Energy: 1.7407279778182942
Energy: 1.6678089142957229
Energy: 1.6684617510199198
Energy: 1.6678089142965151
Energy: 1.740727977817502
Energy: 1.6678089142973076
Energy: 1.4731250556448272
Energy: 1.544991504235014
Energy: 1.7465398382376371
Energy: 1.544991504233429
Energy: 1.4731250556440347
Energy: 1.5449915042342215
Energy: 1.680488726138827
Energy: 1.6678096756562846
Energy: 1.6683410902730211
Energy: 1.6678096756562846
Energy: 1.680488726138827
Energy: 1.6678096756562846
Energy: 1.473076988027397
Energy: 1.679328884975705
Energy: 1.4845297631089276
Energy: 1.679328884975705
Energy: 1.473076988027397
Energy: 1.6793288849764978
Energy: 1.472349285326583
Energy: 1.5548910360264592
Energy: 1.4759161724849272
Energy: 1.5548910360248742
Energy: 1.4723492853242055
Energy: 1.5548910360240817
Energy: 1.7247006808361207
Energy: 1.4686121764462539
Energy: 1.474913363310913
Energy: 1.468612176447839
Energy: 1.7247006808369132
Energy: 1.4686121764470466
Energy: 1.6134741760460924
Energy: 1.4784174313996403
Energy: 1.4849056342277598
Energy: 1.4784174314012255
Energy: 1.613474176046885
Energy: 1.4784174314012255
Energy: 1.4730866174132544
Energy: 1.4684944797498658
Energy: 1.668893734588999
Energy: 1.4684944797506583
Energy: 1.473086617412462
Energy: 1.468494479752243
Energy: 1.5506338251759393
Energy: 1.670137147912815
Energy: 1.675364137964111
Energy: 1.6701371479136076
Energy: 1.5506338251751468
Energy: 1.6701371479136076
Energy: 1.4823207427605465
Energy: 1.6691124433169637
Energy: 1.6687854849893449
Energy: 1.6691124433201332
Energy: 1.482320742761339
Energy: 1.669112443319341
Energy: 1.6789662783028476
Energy: 1.7304478525034328
Energy: 1.6757221272004919
Energy: 1.7304478525026408
Energy: 1.6789662783020551
Energy: 1.730447852501848
Energy: 1.486506395061712
Energy: 1.6821181668440222
Energy: 1.4747744925714572
Energy: 1.68211816684323
Energy: 1.4865063950625041
Energy: 1.6821181668424374
Energy: 1.4700967405688228
Energy: 1.575115267937546
Energy: 1.4846217140531675
Energy: 1.5751152679327918
Energy: 1.4700967405672378
Energy: 1.5751152679391311
Energy: 1.7351717758964618
Energy: 1.6685594883020964
Energy: 1.4937836932915767
Energy: 1.6685594883036812
Energy: 1.7351717758964618
Energy: 1.6685594882989268
Energy: 1.678518904789337
Energy: 1.6620454208557969
Energy: 1.487370975334894
Energy: 1.662045420854212
Energy: 1.678518904789337
Energy: 1.6620454208550044
Energy: 1.469517850700918
Energy: 1.4728418833997499
Energy: 1.668498420612774
Energy: 1.4728418834005423
Energy: 1.469517850700918
Energy: 1.4728418833997499
Energy: 1.6681759447084339
Energy: 1.6585941433130156
Energy: 1.6833991862549906
Energy: 1.6585941433146005
Energy: 1.6681759447084339
Energy: 1.6585941433130156
Energy: 1.4822556375410336
Energy: 1.6586050064023745
Energy: 1.668487699952706
Energy: 1.65860500640079
Energy: 1.482255637541826
Energy: 1.658605006399205
Energy: 1.479593496111319
Energy: 1.4710136479201616
Energy: 1.668377248686475
Energy: 1.4710136479233311
Energy: 1.479593496111319
Energy: 1.4710136479193692
Energy: 1.4685853466625927
Energy: 1.6707963224277511
Energy: 1.4841995887817534
Energy: 1.670796322426959
Energy: 1.4685853466618002
Energy: 1.670796322426959
Energy: 1.7211955392280927
Energy: 1.6620997769752284
Energy: 1.4867701251187726
Energy: 1.6620997769752284
Energy: 1.7211955392273
Energy: 1.662099776976813
Energy: 1.7214276445115957
Energy: 1.9651225541104522
Energy: 1.4917240006831098
Energy: 1.9651225541104522
Energy: 1.7214276445108034
Energy: 1.965122554111245
Energy: 1.479758798721125
Energy: 1.6836465503515645
Energy: 1.495076475718865
Energy: 1.6836465503539417
Energy: 1.4797587987203324
Energy: 1.6836465503539417
Energy: 1.46860199053749
Energy: 1.4751222841638005
Energy: 1.6815457281867463
Energy: 1.4751222841630083
Energy: 1.4686019905351129
Energy: 1.4751222841709322

minimum gb energy = 1.4684944797498658 eV
minimum distance =  2.64216799150274 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.9958104316441374
Energy: 1.5876727061272
Energy: 1.712028519997661
Energy: 1.5876727061098794
Energy: 1.995810431644715
Energy: 1.587672706119117
Energy: 1.673734437259483
Energy: 1.58355083052097
Energy: 1.5392664744537639
Energy: 1.5835508305215475
Energy: 1.673734437259483
Energy: 1.5835508305215475
Energy: 1.578878486658574
Energy: 1.667520195998085
Energy: 1.5392047986722428
Energy: 1.6675201959975074
Energy: 1.578878486658574
Energy: 1.667520195998085
Energy: 1.7427145422183148
Energy: 1.541226046263721
Energy: 1.9124704161080572
Energy: 1.541226046263721
Energy: 1.7427145422177375
Energy: 1.5412260462631437
Energy: 1.5301236153690767
Energy: 1.5879580425966209
Energy: 1.6871036138387707
Energy: 1.5879580425989304
Energy: 1.530123615369654
Energy: 1.5879580425983528
Energy: 1.7001909363102277
Energy: 1.6612490785188547
Energy: 1.623483750660128
Energy: 1.6612490785182774
Energy: 1.700190936310805
Energy: 1.6612490785165455
Energy: 1.6247113197255454
Energy: 1.6616660984161464
Energy: 1.5420692347092848
Energy: 1.6616660984161464
Energy: 1.6247113197261225
Energy: 1.6616660984161464
Energy: 1.729564057392436
Energy: 1.614512946802597
Energy: 1.5316485672258755
Energy: 1.6145129468037516
Energy: 1.729564057392436
Energy: 1.6145129468031743
Energy: 1.9116439459454793
Energy: 1.5443244507516418
Energy: 1.7090846813605713
Energy: 1.5443244507413019
Energy: 1.9116439459454793
Energy: 1.5443244507539513
Energy: 1.893131454703805
Energy: 1.6681427632095385
Energy: 1.5824793152520336
Energy: 1.6681427632112702
Energy: 1.893131454703228
Energy: 1.6681427632112702
Energy: 1.5401680428411884
Energy: 1.6582394113333445
Energy: 2.0362623282061767
Energy: 1.6582394113350762
Energy: 1.5401680428406108
Energy: 1.6582394113350762
Energy: 1.5834264814656345
Energy: 1.5631605006060347
Energy: 1.8079207455181632
Energy: 1.5631605006066123
Energy: 1.5834264814662118
Energy: 1.5631605006071894
Energy: 1.536738029861789
Energy: 1.5843854415656675
Energy: 1.8797548670588295
Energy: 1.5843854415656675
Energy: 1.5367380298623665
Energy: 1.5843854415656675
Energy: 1.9107004057953652
Energy: 1.5305219410269713
Energy: 1.5824007037139651
Energy: 1.5305219410275486
Energy: 1.9107004057959425
Energy: 1.5305219410275486
Energy: 1.9145993191770725
Energy: 1.551415544711457
Energy: 1.540037384623141
Energy: 1.5514155447143438
Energy: 1.9145993191770725
Energy: 1.551415544707993
Energy: 1.8739819510240119
Energy: 1.6648326949225263
Energy: 1.528898047852291
Energy: 1.6648326949213714
Energy: 1.8739819510240119
Energy: 1.6648326949207939
Energy: 1.622174656460897
Energy: 1.5628745453697057
Energy: 1.8741367645509923
Energy: 1.5628745453714379
Energy: 1.6221746564620514
Energy: 1.562874545370283
Energy: 1.5423869583342777
Energy: 1.6637032111800811
Energy: 1.6219710266252991
Energy: 1.6637032111800811
Energy: 1.5423869583342777
Energy: 1.6637032111806584
Energy: 1.5394531262317233
Energy: 1.5429552772767008
Energy: 1.9102379179344495
Energy: 1.5429552772767008
Energy: 1.5394531262317233
Energy: 1.542955277277278
Energy: 1.5783440171469998
Energy: 1.8728458779747181
Energy: 1.9107116851932522
Energy: 1.8728458779741408
Energy: 1.5783440171469998
Energy: 1.8728458779741408
Energy: 1.5785520584081676
Energy: 1.6688900815621774
Energy: 1.5829826449642483
Energy: 1.6688900815598682
Energy: 1.5785520584081676
Energy: 1.6688900815616
Energy: 2.119611201774236
Energy: 1.5534993048418202
Energy: 1.538125530601308
Energy: 1.5534993048412429
Energy: 2.1196112017748128
Energy: 1.5534993048423977
Energy: 2.2497135400942794
Energy: 1.5382646204809818
Energy: 1.582822181682911
Energy: 1.538264620479827
Energy: 2.2497135400942794
Energy: 1.5382646204792496
Energy: 1.5782336564267931
Energy: 1.8065322828279347
Energy: 1.5826487302434562
Energy: 1.80653228282678
Energy: 1.5782336564267931
Energy: 1.8065322828273571
Energy: 1.5808834880415685
Energy: 1.7334905235192681
Energy: 1.9104205037202404
Energy: 1.7334905235181133
Energy: 1.5808834880415685
Energy: 1.7334905235192681
Energy: 1.541496075755456
Energy: 1.6552209112059828
Energy: 1.9105716138923847
Energy: 1.6552209112071372
Energy: 1.541496075755456
Energy: 1.6552209112054053
Energy: 1.5413108366357053
Energy: 1.948435619063034
Energy: 1.87574872076446
Energy: 1.9484356190636114
Energy: 1.5413108366357053
Energy: 1.9484356190636114
Energy: 1.8744969341680897
Energy: 2.0969805853157624
Energy: 1.8740599796313657
Energy: 2.0969805853146077
Energy: 1.8744969341675124
Energy: 2.0969805853146077
Energy: 1.8737676719681469
Energy: 1.6606686577001066
Energy: 1.5295379721591185
Energy: 1.6606686576983745
Energy: 1.873767671968724
Energy: 1.6606686577001066
Energy: 1.9102251756272406
Energy: 1.7360555436407492
Energy: 1.540092891365325
Energy: 1.7360555436367076
Energy: 1.9102251756266633
Energy: 1.7360555436424812
Energy: 1.9094104145222726
Energy: 1.7338514537897975
Energy: 1.5786931739639858
Energy: 1.7338514537926841
Energy: 1.9094104145222726
Energy: 1.733851453790952
Energy: 1.5826351569426058
Energy: 1.9041214168895644
Energy: 1.5784601216979426
Energy: 1.9041214168907188
Energy: 1.5826351569420283
Energy: 1.9041214168912963
Energy: 1.582969408776113
Energy: 1.5311987183500688
Energy: 2.0866381755919794
Energy: 1.5311987183506464
Energy: 1.5829694087766903
Energy: 1.5311987183500688
Energy: 1.5369630119609445
Energy: 1.538422507191583
Energy: 2.2266568140269536
Energy: 1.5384225071921604
Energy: 1.5369630119609445
Energy: 1.5384225071921604
Energy: 1.5826734915666472
Energy: 1.6675922562321688
Energy: 1.578486689997301
Energy: 1.6675922562344783
Energy: 1.5826734915666472
Energy: 1.667592256232746
Energy: 1.9107539000003084
Energy: 1.730767542425134
Energy: 1.578289656823107
Energy: 1.730767542426289
Energy: 1.910753899999731
Energy: 1.7307675424257114

minimum gb energy = 1.528898047852291 eV
minimum distance =  2.61515328789113 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.5642639622526915
Energy: 1.565018843076528
Energy: 2.3631819078398
Energy: 1.565018843076528
Energy: 1.5642639622526915
Energy: 1.565018843076528
Energy: 1.5645021071821739
Energy: 1.56567737228376
Energy: 1.5643403544779932
Energy: 1.56567737228376
Energy: 1.5645021071821739
Energy: 1.56567737228376
Energy: 1.564333795271094
Energy: 1.5658120730917766
Energy: 1.5587488176887154
Energy: 1.5658120730896554
Energy: 1.564333795271094
Energy: 1.5658120730896554
Energy: 1.7548950225213935
Energy: 1.565018843076528
Energy: 1.5642639622526915
Energy: 1.565018843076528
Energy: 1.7548950225213935
Energy: 1.565018843076528
Energy: 1.5643403544779932
Energy: 1.56567737228376
Energy: 1.5645021071821739
Energy: 1.56567737228376
Energy: 1.5643403544779932
Energy: 1.56567737228376
Energy: 2.2139501462575693
Energy: 1.5658120730917766
Energy: 1.564333795271094
Energy: 1.5658120730896554
Energy: 2.2139501462575693
Energy: 1.5658120730896554
Energy: 1.5642639622526915
Energy: 1.565018843076528
Energy: 1.7548950225213935
Energy: 1.565018843076528
Energy: 1.5642639622526915
Energy: 1.565018843076528
Energy: 1.5645021071821739
Energy: 1.56567737228376
Energy: 1.5643403544779932
Energy: 1.56567737228376
Energy: 1.5645021071821739
Energy: 1.56567737228376
Energy: 1.564333795271094
Energy: 1.5658120730896554
Energy: 2.213950146259691
Energy: 1.5658120730896554
Energy: 1.564333795271094
Energy: 1.5658120730896554
Energy: 1.7548950225213935
Energy: 1.565018843076528
Energy: 1.5642639622526915
Energy: 1.565018843076528
Energy: 1.7548950225213935
Energy: 1.565018843076528

minimum gb energy = 1.5587488176887154 eV
minimum distance =  2.58258393033987 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.35014637144426
Energy: 1.5775151173454336
Energy: 2.2191457556614855
Energy: 1.5775151173454336
Energy: 2.3501463714448945
Energy: 1.577515117344164
Energy: 1.5353806799372784
Energy: 1.5411935886918073
Energy: 1.5147732960945262
Energy: 1.5411935886911723
Energy: 1.5353806799372784
Energy: 1.5411935886911723
Energy: 1.5183301917850889
Energy: 1.518638016514066
Energy: 1.7772062522141912
Energy: 1.518638016514066
Energy: 1.5183301917850889
Energy: 1.518638016514066
Energy: 1.516555860140861
Energy: 2.081450446572174
Energy: 1.7439416403368104
Energy: 2.081450446572174
Energy: 1.5165558601383218
Energy: 2.0814504465715395
Energy: 1.6923493352085957
Energy: 1.5352188676232938
Energy: 1.64817758333699
Energy: 1.5352188676226595
Energy: 1.6923493352085957
Energy: 1.5352188676232938
Energy: 1.8217179729060033
Energy: 1.568392568209447
Energy: 1.4980634372272243
Energy: 1.5683925682081774
Energy: 1.8217179729060033
Energy: 1.5683925682081774
Energy: 1.6923650366322935
Energy: 1.5354104896395366
Energy: 1.6990760887164453
Energy: 1.5354104896395366
Energy: 1.6923650366322935
Energy: 1.5354104896401715
Energy: 1.680844530754184
Energy: 2.0447831657508466
Energy: 1.744974116217934
Energy: 2.044783165749577
Energy: 1.6808445307548185
Energy: 2.0447831657508466
Energy: 1.5174592684676549
Energy: 1.5223067960852759
Energy: 2.1029241193111936
Energy: 1.522306796085911
Energy: 1.5174592684689243
Energy: 1.5223067960852759
Energy: 1.5183681682635544
Energy: 1.5409716282718586
Energy: 1.513769970852692
Energy: 1.5409716282731285
Energy: 1.5183681682641892
Energy: 1.5409716282724935
Energy: 2.1412774143149944
Energy: 1.4953250488291931
Energy: 1.6953393574368767
Energy: 1.495325048829828
Energy: 2.1412774143149944
Energy: 1.495325048829828
Energy: 2.1403917977739546
Energy: 1.7331025014593144
Energy: 1.5135525389253046
Energy: 1.7331025014586794
Energy: 2.1403917977745897
Energy: 1.7331025014593144
Energy: 1.5177441141104024
Energy: 1.7787222598490138
Energy: 1.5138254671396554
Energy: 1.7787222598490138
Energy: 1.5177441141110373
Energy: 1.7787222598490138
Energy: 1.5181446452552947
Energy: 1.6809290307022284
Energy: 1.7437729519338234
Energy: 1.6809290307028633
Energy: 1.5181446452552947
Energy: 1.6809290307028633
Energy: 1.6924418202092382
Energy: 1.660788162955509
Energy: 1.7433990073043366
Energy: 1.660788162955509
Energy: 1.6924418202086033
Energy: 1.660788162955509
Energy: 1.6923660665393518
Energy: 1.5418250255007753
Energy: 1.4954534978104752
Energy: 1.5418250255001404
Energy: 1.6923660665399867
Energy: 1.5418250255007753
Energy: 1.6927418595863628
Energy: 1.5411853831433877
Energy: 1.49580411346276
Energy: 1.5411853831440225
Energy: 1.6927418595863628
Energy: 1.5411853831433877
Energy: 1.6921928109889763
Energy: 1.711119188868591
Energy: 1.7429473498134793
Energy: 1.7111191888692259
Energy: 1.6921928109889763
Energy: 1.7111191888698607
Energy: 1.5178105171757255
Energy: 1.5352976864627579
Energy: 1.7433739504262775
Energy: 1.5352976864722514
Energy: 1.5178105171757255
Energy: 1.5352976864640275
Energy: 1.5181858009781628
Energy: 1.7789027751138131
Energy: 1.513634383413363
Energy: 1.7789027751144477
Energy: 1.5181858009781628
Energy: 1.7789027751144477
Energy: 2.026613973321676
Energy: 1.68706881257036
Energy: 1.5139344455926638
Energy: 1.6870688125697249
Energy: 2.0266139733229456
Energy: 1.68706881256909
Energy: 2.031194790759248
Energy: 1.5135415942212371
Energy: 1.702502351027619
Energy: 1.513541594221872
Energy: 2.0311947907598826
Energy: 1.513541594221872
Energy: 1.518337169791151
Energy: 1.7490352589997429
Energy: 1.5135423978809712
Energy: 1.7490352589997429
Energy: 1.5183371697917858
Energy: 1.7490352589997429
Energy: 1.5181906362911142
Energy: 1.518177003764285
Energy: 1.984607248235355
Energy: 1.518177003764285
Energy: 1.5181906362911142
Energy: 1.5181770037636504
Energy: 1.6956993940799707
Energy: 1.714166405117502
Energy: 1.7435738217474739
Energy: 1.714166405117502
Energy: 1.6956993940806058
Energy: 1.7141664051168675
Energy: 1.694257797787286
Energy: 1.540437300899637
Energy: 1.5681257922327891
Energy: 1.540437300899637
Energy: 1.694257797787286
Energy: 1.540437300899637
Energy: 1.6835958639622102
Energy: 1.5407486972101674
Energy: 1.4963161473659463
Energy: 1.540748697211437
Energy: 1.6835958639622102
Energy: 1.5407486972101674
Energy: 1.693827623967217
Energy: 1.6574413509627484
Energy: 1.518029650366699
Energy: 1.6574413509627484
Energy: 1.6938276239665822
Energy: 1.657441350964018
Energy: 1.5717090886369744
Energy: 1.5143257768917584
Energy: 1.7440846028663377
Energy: 1.5143257768949328
Energy: 1.5717090886369744
Energy: 1.514325776896837
Energy: 1.5200363263271006
Energy: 1.5180497548917355
Energy: 1.964842360366675
Energy: 1.5180497548917355
Energy: 1.5200363263271006
Energy: 1.518049754891101
Energy: 1.5370874810474249
Energy: 1.6965240310853487
Energy: 1.5172666205908445
Energy: 1.6965240310853487
Energy: 1.5370874810493291
Energy: 1.6965240310853487
Energy: 2.1402689312971486
Energy: 1.8401824558501882
Energy: 1.541372050276097
Energy: 1.840182455851458
Energy: 2.1402689312977836
Energy: 1.8401824558508229
Energy: 1.5349329894146002
Energy: 1.5429631717600842
Energy: 1.5143892999135202
Energy: 1.5429631717600842
Energy: 1.5349329894146002
Energy: 1.5429631717600842

minimum gb energy = 1.4953250488291931 eV
minimum distance =  2.56562721655789 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.5314173943565568
Energy: 1.452494544671326
Energy: 2.090733969975073
Energy: 1.452494544669517
Energy: 1.5314173943556524
Energy: 1.4524945446704216
Energy: 1.7828520412331634
Energy: 1.4583713037022834
Energy: 1.4545560723606172
Energy: 1.4583713037022834
Energy: 1.7828520412322588
Energy: 1.4583713037022834
Energy: 1.4648988365207045
Energy: 1.5625516434562736
Energy: 1.8283412812979776
Energy: 1.5625516434562736
Energy: 1.4648988365207045
Energy: 1.5625516434562736
Energy: 2.0918301869762588
Energy: 1.5667952270922634
Energy: 1.4499888989286827
Energy: 1.5667952270913588
Energy: 2.091830186975354
Energy: 1.566795227093168
Energy: 1.453382642165249
Energy: 1.9049021016121326
Energy: 1.4598366852881994
Energy: 1.9049021016121326
Energy: 1.453382642165249
Energy: 1.9049021016112282
Energy: 1.450490307991378
Energy: 1.459031872618684
Energy: 1.4545456091914206
Energy: 1.4590318726177793
Energy: 1.450490307991378
Energy: 1.4590318726177793
Energy: 1.465381601734328
Energy: 1.4592793327326279
Energy: 1.4634464245743652
Energy: 1.4592793327335323
Energy: 1.465381601734328
Energy: 1.4592793327335323
Energy: 1.459075714095558
Energy: 1.5615750732019367
Energy: 2.2045189462418615
Energy: 1.561575073199223
Energy: 1.459075714095558
Energy: 1.561575073199223
Energy: 1.458411484948653
Energy: 1.541153937631045
Energy: 2.2015554321591533
Energy: 1.541153937631045
Energy: 1.4584114849477483
Energy: 1.5411539376319499
Energy: 1.4587672765875146
Energy: 1.4604040106927796
Energy: 1.4663263182986936
Energy: 1.4604040106927796
Energy: 1.4587672765875146
Energy: 1.4604040106927796
Energy: 1.4489791835693426
Energy: 1.4597126905433913
Energy: 1.468566741939762
Energy: 1.4597126905433913
Energy: 1.4489791835693426
Energy: 1.4597126905424869
Energy: 1.448848728366411
Energy: 1.5572623887217079
Energy: 1.4490669328177903
Energy: 1.5572623887208035
Energy: 1.448848728366411
Energy: 1.5572623887208035
Energy: 1.4686770474421935
Energy: 1.459787368629013
Energy: 1.448928437433747
Energy: 1.4597873686299174
Energy: 1.4686770474421935
Energy: 1.4597873686308223
Energy: 1.4662107324573943
Energy: 1.4605580422867683
Energy: 1.4587535582587543
Energy: 1.4605580422867683
Energy: 1.46621073245649
Energy: 1.4605580422867683
Energy: 2.2015607445942864
Energy: 1.5412877121888267
Energy: 1.4584256324691418
Energy: 1.5412877121888267
Energy: 2.201560744595191
Energy: 1.5412877121888267
Energy: 2.2044169447312547
Energy: 1.5616256317833015
Energy: 1.4591106460468846
Energy: 1.5616256317769697
Energy: 2.2044169447312547
Energy: 1.5616256317833015
Energy: 1.4618722127854893
Energy: 1.4592735300813302
Energy: 1.4624117560728944
Energy: 1.4592735300813302
Energy: 1.4618722127836803
Energy: 1.4592735300813302
Energy: 1.454408372610921
Energy: 1.4592059463939655
Energy: 1.450517816511294
Energy: 1.459205946393061
Energy: 1.454408372610921
Energy: 1.459205946393061
Energy: 1.4601076425556587
Energy: 1.9048245674054196
Energy: 1.4533870607128998
Energy: 1.904824567402706
Energy: 1.4601076425619905
Energy: 1.9048245674045152
Energy: 1.4499089570699537
Energy: 1.5670763822090923
Energy: 2.0917674698272792
Energy: 1.5670763822090923
Energy: 1.4499089570699537
Energy: 1.5670763822081877
Energy: 1.8291382108275511
Energy: 1.5625516434553688
Energy: 1.4626016398670034
Energy: 1.5625516434553688
Energy: 1.829138210828456
Energy: 1.5625516434553688
Energy: 1.4545351816103311
Energy: 1.4583807056319724
Energy: 1.7826674906866753
Energy: 1.4583807056319724
Energy: 1.4545351816103311
Energy: 1.4583807056310678
Energy: 1.828733925042347
Energy: 1.4524945446704216
Energy: 1.5314173943565568
Energy: 1.452494544671326
Energy: 1.8287339250432517
Energy: 1.4524945446704216

minimum gb energy = 1.448848728366411 eV
minimum distance =  2.59913104194243 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.9179148092290723
Energy: 1.4305283862272882
Energy: 2.133403925340876
Energy: 1.430528386227862
Energy: 1.9179148092290723
Energy: 1.4305283862272882
Energy: 2.0495082447842528
Energy: 1.6219949038235002
Energy: 1.3698159882166234
Energy: 1.621994903824648
Energy: 2.0495082447842528
Energy: 1.6219949038240744
Energy: 1.3762598162050081
Energy: 1.4626614802404727
Energy: 1.9887648531192497
Energy: 1.4626614802398992
Energy: 1.376259816205582
Energy: 1.4626614802393252
Energy: 1.4654589335259363
Energy: 1.3703390138785914
Energy: 1.3935742462000993
Energy: 1.3703390138780178
Energy: 1.4654589335259363
Energy: 1.3703390138791653
Energy: 1.8361332837284812
Energy: 1.812721036539996
Energy: 1.8051277007598046
Energy: 1.8127210365388484
Energy: 1.836133283729055
Energy: 1.812721036539996
Energy: 1.8347856349600908
Energy: 1.537128635074573
Energy: 1.3762766001726476
Energy: 1.5371286350734255
Energy: 1.8347856349612386
Energy: 1.5371286350751467
Energy: 1.3763679200995833
Energy: 1.3928156672239327
Energy: 1.3969875749022553
Energy: 1.3928156672239327
Energy: 1.3763679200995833
Energy: 1.3928156672245067
Energy: 1.3936421947138367
Energy: 1.3703612334193618
Energy: 1.8356982237773978
Energy: 1.3703612334199358
Energy: 1.3936421947138367
Energy: 1.3703612334210835
Energy: 1.808318569180441
Energy: 1.7206213604371643
Energy: 1.838001646516342
Energy: 1.7206213604365903
Energy: 1.808318569180441
Energy: 1.7206213604371643
Energy: 1.3988983305918787
Energy: 1.3911882257199886
Energy: 1.3762336069156462
Energy: 1.3936668667218588
Energy: 1.3988983305918787
Energy: 1.3911882257199886
Energy: 1.3722492045209536
Energy: 1.3960758486146132
Energy: 1.3994265931677563
Energy: 1.3960758486146132
Energy: 1.3722492045209536
Energy: 1.3960758486146132
Energy: 1.3760414526984928
Energy: 1.4863637152375215
Energy: 2.0559792663755663
Energy: 1.4863637152375215
Energy: 1.3760414526984928
Energy: 1.4863637152375215
Energy: 1.8261712708504396
Energy: 1.8306824848899261
Energy: 1.8983181912094989
Energy: 1.8306824848773018
Energy: 1.8261712708515871
Energy: 1.8306824848910737
Energy: 1.3702488662535985
Energy: 1.3944251515584287
Energy: 1.3793358710865746
Energy: 1.3944251515584287
Energy: 1.3702488662535985
Energy: 1.394425151557855
Energy: 1.8052035615009143
Energy: 1.4640736242332313
Energy: 1.3719423366337908
Energy: 1.4640736242332313
Energy: 1.8052035615009143
Energy: 1.4640736242338048
Energy: 1.3933756988982227
Energy: 1.599249982373552
Energy: 2.0315426566609034
Energy: 1.599249982373552
Energy: 1.3933756988982227
Energy: 1.599249982373552
Energy: 2.0849878731842684
Energy: 1.405770993475345
Energy: 1.8508451446922127
Energy: 1.405770993474771
Energy: 2.0849878731848417
Energy: 1.405770993474771
Energy: 1.372822645859058
Energy: 1.3918239510414323
Energy: 1.739586512786517
Energy: 1.3918239510414323
Energy: 1.3728226458584845
Energy: 1.3918239510414323
Energy: 1.7150943192615156
Energy: 1.3913100490850856
Energy: 1.372008554855465
Energy: 1.391310049083938
Energy: 1.7150943192620893
Energy: 1.3913100490845116
Energy: 1.8267159845484877
Energy: 1.3714991070885414
Energy: 1.3919805037036233
Energy: 1.3714991070862461
Energy: 1.8267159845484877
Energy: 1.3714991070862461
Energy: 2.0479905590428147
Energy: 1.7034387143381613
Energy: 1.3957790423778211
Energy: 1.7034387143381613
Energy: 2.0479905590422405
Energy: 1.7034387143381613
Energy: 1.3734945905991747
Energy: 1.3924472961207475
Energy: 1.8047093289374474
Energy: 1.3924472961201735
Energy: 1.3734945905991747
Energy: 1.3924472961207475
Energy: 1.4036496899112565
Energy: 1.3959111756552118
Energy: 1.3721732000287252
Energy: 1.3959111756546378
Energy: 1.4036496899106827
Energy: 1.3959111756552118
Energy: 1.8945837415931692
Energy: 1.4870834798954056
Energy: 1.3702668521139054
Energy: 1.7004670483452895
Energy: 1.8945837415931692
Energy: 1.4870834798954056
Energy: 2.2532236676786717
Energy: 1.4849339846932987
Energy: 1.3707275652869695
Energy: 1.484933984692151
Energy: 2.2532236676792454
Energy: 1.484933984692151
Energy: 1.400083871685287
Energy: 1.8724092908575005
Energy: 1.3766799277351571
Energy: 1.8724092908575005
Energy: 1.4000838716864348
Energy: 1.8724092908575005
Energy: 1.376540740975561
Energy: 1.3937304153554084
Energy: 1.8087267971043601
Energy: 1.3937304153559824
Energy: 1.376540740975561
Energy: 1.3937304153548344
Energy: 1.8344532527118027
Energy: 1.6984248656321992
Energy: 1.3998025468304942
Energy: 1.6984248656316256
Energy: 1.8344532527118027
Energy: 1.6984248656316256
Energy: 1.8304658247966588
Energy: 1.3711028980920776
Energy: 1.3948600740786352
Energy: 1.3711028980915034
Energy: 1.8304658247972327
Energy: 1.3711028980915034
Energy: 1.3958317795682718
Energy: 1.3918283508739921
Energy: 1.3731447658350027
Energy: 1.3918283508745661
Energy: 1.3958317795682718
Energy: 1.3918283508745661
Energy: 1.376360291986309
Energy: 1.6733095631173054
Energy: 2.05015387601456
Energy: 1.6733095631161574
Energy: 1.3763602919868827
Energy: 1.6733095631167312
Energy: 1.8048246435466435
Energy: 1.4059359831674487
Energy: 1.8269324407285676
Energy: 1.4059359831680225
Energy: 1.8048246435489388
Energy: 1.40593598316917
Energy: 1.392940964984248
Energy: 1.6186930287272674
Energy: 1.8276763226412103
Energy: 1.618693028740465
Energy: 1.3929409649836741
Energy: 1.6186930287381698
Energy: 2.0075244830563297
Energy: 1.4629395860639745
Energy: 1.372795545313804
Energy: 1.4629395860639745
Energy: 2.0075244830563297
Energy: 1.4629395860639745
Energy: 1.3694166768954392
Energy: 1.3931169526734657
Energy: 1.9432091182017193
Energy: 1.3931169526740397
Energy: 1.3694166768954392
Energy: 1.3931169526740397
Energy: 1.8264106705120415
Energy: 1.4297897863596267
Energy: 1.892066571864564
Energy: 1.4297897863602005
Energy: 1.8264106705126155
Energy: 1.429789786359053
Energy: 1.3718445495278944
Energy: 1.6988985339381444
Energy: 2.0555017333859738
Energy: 1.698898533980034
Energy: 1.3718445495278944
Energy: 1.69889853400643

minimum gb energy = 1.3694166768954392 eV
minimum distance =  2.50747794664535 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.1927626879443458
Energy: 1.1533495060321066
Energy: 2.3107083366145424
Energy: 1.1533495060321066
Energy: 1.1927626879443458
Energy: 1.1533495060321066
Energy: 2.1079992231696862
Energy: 1.1531474805052908
Energy: 1.1550623093257018
Energy: 1.1531474805037243
Energy: 2.1079992231696862
Energy: 1.1531474805037243
Energy: 1.1941496277491717
Energy: 1.4407939185826941
Energy: 1.1586101348601405
Energy: 1.4407939185826941
Energy: 1.1941496277476047
Energy: 1.4407939185826941
Energy: 2.1409059638484824
Energy: 1.1534077431981726
Energy: 1.1552615136898428
Energy: 1.1534077431997394
Energy: 2.1409059638484824
Energy: 1.1534077431981726
Energy: 1.1943113765882485
Energy: 1.1534654969772515
Energy: 1.1569285996950307
Energy: 1.153465496978818
Energy: 1.194311376589815
Energy: 1.153465496978818
Energy: 1.1939580546268644
Energy: 1.2175072510886533
Energy: 1.1557689742253858
Energy: 1.2175072510886533
Energy: 1.1939580546268644
Energy: 1.2175072510886533
Energy: 2.1491248276947634
Energy: 1.153692768174621
Energy: 1.1562166976387664
Energy: 1.153692768174621
Energy: 2.1491248276947634
Energy: 1.153692768174621
Energy: 1.1918611228610658
Energy: 1.1540526955489379
Energy: 1.1567674685892706
Energy: 1.1540526955505046
Energy: 1.1918611228594989
Energy: 1.1540526955505046
Energy: 2.0430434222497036
Energy: 1.2173727058121664
Energy: 1.1555008521440366
Energy: 1.2173727058105994
Energy: 2.0430434222512694
Energy: 1.2173727058121664
Energy: 1.1931915515180664
Energy: 1.1539959247491902
Energy: 1.1582790943689503
Energy: 1.1539959247507212
Energy: 1.1931915515164997
Energy: 1.1539959247507212
Energy: 2.0518918109523296
Energy: 1.1533511701046057
Energy: 1.1550852304598698
Energy: 1.1533511701061725
Energy: 2.0518918109523296
Energy: 1.1533511701046057
Energy: 1.1938413670989734
Energy: 1.4408068665462808
Energy: 2.0323508341314485
Energy: 1.4408068665447142
Energy: 1.1938413671005403
Energy: 1.4408068665447142
Energy: 2.051989112707734
Energy: 1.1536270586119222
Energy: 1.1550696949613133
Energy: 1.1536270586119222
Energy: 2.051989112707734
Energy: 1.1536270586119222
Energy: 1.193187603890471
Energy: 1.1537606446422148
Energy: 1.158290831496345
Energy: 1.1537606446437816
Energy: 1.193187603890471
Energy: 1.1537606446437816

minimum gb energy = 1.1531474805037243 eV
minimum distance =  2.71004448646236 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.0190123136391627
Energy: 1.522924367370079
Energy: 2.007125108507483
Energy: 1.5229243673693906
Energy: 2.0190123136391627
Energy: 1.5229243673693906
Energy: 1.50529590630209
Energy: 1.530476860374998
Energy: 1.5034913337349327
Energy: 1.530476860374998
Energy: 1.5052959063000253
Energy: 1.5304768603756862
Energy: 1.5039730382421719
Energy: 1.6390632100251292
Energy: 1.5034640448815808
Energy: 1.6390632100251292
Energy: 1.5039730382421719
Energy: 1.6390632100244407
Energy: 1.5300626384962648
Energy: 1.5313766456118336
Energy: 1.5031527556457709
Energy: 1.5313766456118336
Energy: 1.5300626384969531
Energy: 1.5313766456118336
Energy: 1.503539417528616
Energy: 1.6404618611600992
Energy: 1.530255457323227
Energy: 1.640461861159411
Energy: 1.503539417528616
Energy: 1.6404618611607875
Energy: 1.5534536191519603
Energy: 1.6285767005575618
Energy: 1.503357384397197
Energy: 1.6285767005575618
Energy: 1.5534536191519603
Energy: 1.6285767005575618
Energy: 1.5300963546820494
Energy: 1.8074330167935546
Energy: 1.5493933413377694
Energy: 1.8074330167928663
Energy: 1.5300963546820494
Energy: 1.8074330167935546
Energy: 1.50522690912616
Energy: 1.5326871027875477
Energy: 1.5032229344595793
Energy: 1.5326871027875477
Energy: 1.50522690912616
Energy: 1.5326871027868594
Energy: 1.5059651879861884
Energy: 1.6340491204385925
Energy: 1.5029364754849313
Energy: 1.6340491204385925
Energy: 1.5059651879855003
Energy: 1.6340491204385925
Energy: 1.5029448547721531
Energy: 1.53037438179136
Energy: 1.5310007037924867
Energy: 1.53037438179136
Energy: 1.5029448547721531
Energy: 1.5303743817906716
Energy: 1.5348588014392712
Energy: 1.5032759048843303
Energy: 1.5503994533218135
Energy: 1.5032759048829538
Energy: 1.5348588014392712
Energy: 1.503275904883642
Energy: 1.5053514702394897
Energy: 1.6284768686074413
Energy: 1.5504937682505475
Energy: 1.6284768686081297
Energy: 1.5053514702394897
Energy: 1.6284768686081297
Energy: 1.5032193380279322
Energy: 1.5306182918776745
Energy: 1.7350796568276698
Energy: 1.5306182918776745
Energy: 1.5032193380272438
Energy: 1.5306182918776745
Energy: 1.5318783280043353
Energy: 1.6338509059945452
Energy: 1.5316591106431585
Energy: 1.6338509059952333
Energy: 1.5318783280043353
Energy: 1.633850905993857
Energy: 1.5034973388774355
Energy: 1.818607417728107
Energy: 1.5076000362931712
Energy: 1.8186074177274185
Energy: 1.5034973388774355
Energy: 1.8186074177274185
Energy: 1.5305667894321904
Energy: 1.7104554220412722
Energy: 1.549411430017709
Energy: 1.7104554220405839
Energy: 1.5305667894363197
Energy: 1.7104554220419605
Energy: 1.5494893770062312
Energy: 1.8079682032095294
Energy: 1.504479765658407
Energy: 1.8079682032109063
Energy: 1.5494893770062312
Energy: 1.8079682032109063
Energy: 1.503349909184032
Energy: 1.958155884752801
Energy: 1.5028153678929044
Energy: 1.9581558847521126
Energy: 1.5033499091833438
Energy: 1.9581558847507363
Energy: 1.530101645588049
Energy: 1.5304579785676993
Energy: 1.5309725133189653
Energy: 1.5304579785676993
Energy: 1.530101645588049
Energy: 1.530457978567011
Energy: 1.5030388684392035
Energy: 1.638214015176716
Energy: 1.5068025685787458
Energy: 1.638214015176716
Energy: 1.5030388684398919
Energy: 1.638214015176716
Energy: 1.5501300481176485
Energy: 1.6303410693061995
Energy: 1.5043187815981003
Energy: 1.6303410693061995
Energy: 1.5501300481183369
Energy: 1.6303410693061995
Energy: 1.550338083018053
Energy: 1.508927673940155
Energy: 1.5316981839317343
Energy: 1.508927673940843
Energy: 1.5503380830194295
Energy: 1.508927673940155
Energy: 1.72841251441663
Energy: 1.530660758446347
Energy: 1.5498257946299052
Energy: 1.5306607584456589
Energy: 1.72841251441663
Energy: 1.530660758446347
Energy: 1.5029439430212408
Energy: 1.6329868479163308
Energy: 1.504880551524087
Energy: 1.6329868479163308
Energy: 1.5029439430205527
Energy: 1.6329868479163308
Energy: 1.5073145502820224
Energy: 1.5315608299289656
Energy: 1.5038958884110063
Energy: 1.5315608299289656
Energy: 1.5073145502820224
Energy: 1.5315608299289656
Energy: 1.5495087070169333
Energy: 1.8066496380190848
Energy: 1.5299385400285457
Energy: 1.8066496380190848
Energy: 1.5495087070162448
Energy: 1.8066496380197732
Energy: 1.5035435181189365
Energy: 1.6284491658051667
Energy: 1.503662821904503
Energy: 1.6284491658051667
Energy: 1.5035435181099892
Energy: 1.62844916580379
Energy: 1.530014050491632
Energy: 1.639998532377994
Energy: 1.5542780136967447
Energy: 1.639998532378682
Energy: 1.530014050491632
Energy: 1.639998532378682
Energy: 1.5038814468640767
Energy: 1.5306125851521937
Energy: 1.5300942125257118
Energy: 1.5306125851521937
Energy: 1.5038814468640767
Energy: 1.5306125851521937
Energy: 1.5032643656454932
Energy: 1.637906137474436
Energy: 1.5056687947830947
Energy: 1.637906137474436
Energy: 1.5032643656454932
Energy: 1.637906137475124
Energy: 1.5029841681174279
Energy: 1.532672768421453
Energy: 1.5062900609844092
Energy: 1.5326727684193882
Energy: 1.5029841681174279
Energy: 1.532672768416635

minimum gb energy = 1.5028153678929044 eV
minimum distance =  2.5584129259207 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.6885174412893638
Energy: 1.6885424227726102
Energy: 1.7033684972146452
Energy: 1.6885424227726102
Energy: 1.6885174412893638
Energy: 1.6885424227726102
Energy: 1.6169095077193767
Energy: 1.6010677984888246
Energy: 1.6003466385397587
Energy: 1.6010677984888246
Energy: 1.6169095077193767
Energy: 1.6849097883664892
Energy: 1.6011540914015219
Energy: 1.7708355257770714
Energy: 1.6005859286651407
Energy: 1.7708355257770714
Energy: 1.6011540914015219
Energy: 1.7708355257782962
Energy: 1.60059913478488
Energy: 1.7952884510759384
Energy: 1.6005965517529368
Energy: 1.6909344676266074
Energy: 1.60059913478488
Energy: 1.9572560629662592
Energy: 1.6007356920086924
Energy: 1.770990100414215
Energy: 1.600653066832854
Energy: 1.77099010041544
Energy: 1.6007356920086924
Energy: 1.77099010041544
Energy: 1.6003564910525088
Energy: 1.6008323597894996
Energy: 1.6168808238930878
Energy: 1.6008323597907244
Energy: 1.6003564910537336
Energy: 1.6008323597894996
Energy: 1.7033684972146452
Energy: 1.688542422773835
Energy: 1.6885174412893638
Energy: 1.688542422773835
Energy: 1.7033684972146452
Energy: 1.688542422773835
Energy: 1.6003466385397587
Energy: 1.7552481426167932
Energy: 1.6169095077193767
Energy: 1.7552481426180175
Energy: 1.6003466385397587
Energy: 1.6010677984888246
Energy: 1.6005859286651407
Energy: 1.7708355257782962
Energy: 1.6011540914015219
Energy: 1.7708355257782962
Energy: 1.6005859286663655
Energy: 1.7708355257782962
Energy: 1.600596551751712
Energy: 1.7952884510526679
Energy: 1.60059913478488
Energy: 1.7952884510563425
Energy: 1.600596551751712
Energy: 1.6909344676266074
Energy: 1.600653066832854
Energy: 1.770990100414215
Energy: 1.6007356920086924
Energy: 1.77099010041544
Energy: 1.600653066832854
Energy: 1.77099010041544
Energy: 1.6168808238930878
Energy: 1.6008323597894996
Energy: 1.6003564910537336
Energy: 1.6008323597894996
Energy: 1.6168808238930878
Energy: 1.6008323597907244
Energy: 1.6885174412893638
Energy: 1.6885424227726102
Energy: 1.923881565058437
Energy: 1.688542422773835
Energy: 1.6885174412893638
Energy: 1.6885424227726102
Energy: 1.6169095077193767
Energy: 1.6010677984888246
Energy: 1.6003466385397587
Energy: 1.6010677984888246
Energy: 1.6169095077193767
Energy: 1.6010677984888246
Energy: 1.6011540914015219
Energy: 1.7708355257782962
Energy: 1.6005859286651407
Energy: 1.7708355257770714
Energy: 1.6011540914027467
Energy: 1.7708355257770714
Energy: 1.60059913478488
Energy: 1.6909344676266074
Energy: 1.6005965517529368
Energy: 1.6909344676253826
Energy: 1.60059913478488
Energy: 1.6909344676266074
Energy: 1.6007356920086924
Energy: 1.77099010041544
Energy: 1.600653066832854
Energy: 1.770990100414215
Energy: 1.6007356920086924
Energy: 1.770990100414215

minimum gb energy = 1.6003466385397587 eV
minimum distance =  2.58006527944072 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.8337022736434097
Energy: 2.087234458594954
Energy: 1.7995286994549164
Energy: 2.087234458595954
Energy: 1.8337022736434097
Energy: 2.087234458594954
Energy: 1.708389026962196
Energy: 1.9350121325507355
Energy: 1.7471653118626551
Energy: 1.9350121325477354
Energy: 1.708389026962196
Energy: 1.9350121325477354
Energy: 1.752195279173885
Energy: 1.7768303140299313
Energy: 1.7503910301943113
Energy: 1.7768303140299313
Energy: 1.752195279173885
Energy: 1.776830314028931
Energy: 1.752746676486951
Energy: 1.7557520835920506
Energy: 1.7086049332114632
Energy: 1.7557520835920506
Energy: 1.7527466764879507
Energy: 1.7557520835910505
Energy: 1.7082347490015048
Energy: 1.9418479090244152
Energy: 1.7504874246299542
Energy: 1.9418479090274154
Energy: 1.7082347490015048
Energy: 1.9418479090274154
Energy: 1.752842876606966
Energy: 1.7760923564690423
Energy: 1.7952149177669472
Energy: 1.7760923564680422
Energy: 1.752842876606966
Energy: 1.7760923564690423
Energy: 1.7544635818889203
Energy: 1.9739334378990805
Energy: 1.751142720735438
Energy: 1.9739334378990805
Energy: 1.7544635818899204
Energy: 1.9739334378990805
Energy: 1.7351022446963278
Energy: 1.8088137679548086
Energy: 1.7474974191768151
Energy: 1.8088137679558087
Energy: 1.7351022446953277
Energy: 1.8088137679558087
Energy: 1.7315216348244111
Energy: 1.9487749718778182
Energy: 1.7086557050311877
Energy: 1.9487749718788183
Energy: 1.7315216348244111
Energy: 1.9487749718788183
Energy: 1.8061672826993944
Energy: 2.0856026836964676
Energy: 1.7488998008480596
Energy: 2.0856026836954675
Energy: 1.8061672826993944
Energy: 2.0856026836954675
Energy: 1.7549375680289871
Energy: 1.833778710697052
Energy: 1.7323760412129816
Energy: 1.833778710696052
Energy: 1.7549375680289871
Energy: 1.833778710696052
Energy: 1.751423856934399
Energy: 1.757581058496295
Energy: 1.727970914791555
Energy: 1.7575810584982952
Energy: 1.751423856934399
Energy: 1.757581058497295
Energy: 1.75460894416759
Energy: 1.7546677404428526
Energy: 1.750214742927131
Energy: 1.7546677404408528
Energy: 1.75460894416759
Energy: 1.7546677404408528
Energy: 1.7518168252035913
Energy: 1.7535683169147618
Energy: 1.7089392742668255
Energy: 1.7535683169167617
Energy: 1.7518168252035913
Energy: 1.7535683169167617
Energy: 1.7997433184498348
Energy: 1.948780690743036
Energy: 1.769056520099648
Energy: 1.948780690742036
Energy: 1.7997433184488345
Energy: 1.9487806907440361
Energy: 1.731509795820214
Energy: 1.9763917672670388
Energy: 1.709165972204931
Energy: 1.976391767266039
Energy: 1.731509795820214
Energy: 1.976391767266039
Energy: 1.7316435012814508
Energy: 1.8354790764320303
Energy: 1.7339828449343642
Energy: 1.8354790764330302
Energy: 1.7316435012834512
Energy: 1.8354790764330302
Energy: 1.8111840573085412
Energy: 1.9482485753883902
Energy: 1.7488369296309334
Energy: 1.9482485753883902
Energy: 1.8111840573085412
Energy: 1.9482485753883902
Energy: 1.7557085195285382
Energy: 1.75741206013322
Energy: 1.7547516437367012
Energy: 1.7574120601322196
Energy: 1.7557085195285382
Energy: 1.7574120601322196
Energy: 1.751699186748745
Energy: 1.9407623502160283
Energy: 1.748946112345305
Energy: 1.9407623502180287
Energy: 1.751699186748745
Energy: 1.9407623502190283
Energy: 1.7552420950836933
Energy: 1.7564346297457418
Energy: 1.7241638015220269
Energy: 1.7564346297467415
Energy: 1.7552420950836933
Energy: 1.7564346297467415

minimum gb energy = 1.7082347490015048 eV
minimum distance =  2.56750555014816 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.9088694565361408
Energy: 1.702543233891669
Energy: 1.9290874020930389
Energy: 1.702543233891669
Energy: 1.9088694565361408
Energy: 1.702543233891669
Energy: 1.6869926943876492
Energy: 1.953882020820339
Energy: 1.6874608539503466
Energy: 1.953882020820339
Energy: 1.6869926943876492
Energy: 1.953882020819496
Energy: 1.7005172215171143
Energy: 1.7047826108855435
Energy: 1.6891152115900938
Energy: 1.7047826108855435
Energy: 1.7005172215171143
Energy: 1.7047826108855435
Energy: 1.6915448037800929
Energy: 1.9119432830154077
Energy: 1.738667309967861
Energy: 1.9119432830162124
Energy: 1.6915448037800929
Energy: 1.9119432830162124
Energy: 1.6898826350183156
Energy: 1.997847868177716
Energy: 1.6882138976903585
Energy: 1.997847868177716
Energy: 1.6898826350183156
Energy: 1.997847868177716
Energy: 1.7048523854775517
Energy: 1.704463217204361
Energy: 1.7002555704795237
Energy: 1.7044632172035181
Energy: 1.7048523854775517
Energy: 1.704463217204361
Energy: 1.6916457421593878
Energy: 1.9211880564119215
Energy: 1.6886977369390583
Energy: 1.9211880564110788
Energy: 1.6916457421593878
Energy: 1.9211880564119215
Energy: 1.6883129560286536
Energy: 1.846873089358243
Energy: 1.68884909621548
Energy: 1.846873089358243
Energy: 1.6883129560278105
Energy: 1.8468730893590857
Energy: 1.8285151145974468
Energy: 1.906885945770608
Energy: 1.769453426105917
Energy: 1.9068859457697651
Energy: 1.8285151145974468
Energy: 1.906885945770608
Energy: 1.687811302962118
Energy: 1.9629046142708837
Energy: 1.7557069321924128
Energy: 1.9629046142708837
Energy: 1.687811302962118
Energy: 1.9629046142708837
Energy: 1.6879768204095233
Energy: 1.9626403545222455
Energy: 1.7558220125477098
Energy: 1.9626403545214028
Energy: 1.6879768204103665
Energy: 1.9626403545214028
Energy: 1.8286313424899674
Energy: 1.9068710680191499
Energy: 1.7684736942134518
Energy: 1.9068710680191499
Energy: 1.8286313424899674
Energy: 1.9068710680191499
Energy: 1.6884829881319525
Energy: 1.8477357968624064
Energy: 1.688134440340733
Energy: 1.847735796863249
Energy: 1.6884829881311099
Energy: 1.847735796861563
Energy: 1.6915379029414468
Energy: 1.9211855837162248
Energy: 1.6889213405323205
Energy: 1.921185583717068
Energy: 1.6915379029406037
Energy: 1.921185583717068
Energy: 1.7047283496352135
Energy: 1.7077855877813932
Energy: 1.6999652664250915
Energy: 1.7077855877813932
Energy: 1.7047283496343706
Energy: 1.7077855877813932
Energy: 1.6899849545007342
Energy: 1.997847868178559
Energy: 1.6892776726823078
Energy: 1.997847868177716
Energy: 1.6899849545007342
Energy: 1.997847868177716
Energy: 1.6915174764870697
Energy: 1.9119508443293896
Energy: 1.7181513033979043
Energy: 1.9119508443293896
Energy: 1.6915174764870697
Energy: 1.9119508443293896
Energy: 1.7005045119539055
Energy: 1.706054827010475
Energy: 1.6891545978710885
Energy: 1.706054827010475
Energy: 1.7005045119530624
Energy: 1.7060548270113178
Energy: 1.6870158387900267
Energy: 1.953858740165822
Energy: 1.6888600839892174
Energy: 1.953858740165822
Energy: 1.6870158387900267
Energy: 1.953858740165822
Energy: 1.9088694565361408
Energy: 1.702543233891669
Energy: 1.881795412574602
Energy: 1.702543233891669
Energy: 1.9088694565361408
Energy: 1.702543233891669
Energy: 1.686992694388492
Energy: 1.953882020819496
Energy: 1.6874608539495033
Energy: 1.953882020820339
Energy: 1.6869926943876492
Energy: 1.953882020820339
Energy: 1.7005172215171143
Energy: 1.7047826108855435
Energy: 1.6891152115900938
Energy: 1.7047826108855435
Energy: 1.7005172215171143
Energy: 1.7047826108855435
Energy: 1.6915448037800929
Energy: 1.9119432830162124
Energy: 1.751038976891601
Energy: 1.9119432830154077
Energy: 1.6915448037800929
Energy: 1.9119432830154077
Energy: 1.6898826350183156
Energy: 1.997847868177716
Energy: 1.6882138976903585
Energy: 1.997847868177716
Energy: 1.6898826350183156
Energy: 1.997847868177716
Energy: 1.7048523854775517
Energy: 1.704463217204361
Energy: 1.7002555704795237
Energy: 1.704463217205204
Energy: 1.7048523854775517
Energy: 1.704463217204361

minimum gb energy = 1.6869926943876492 eV
minimum distance =  2.60622130800039 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.873123528234012
Energy: 1.6560896246467491
Energy: 1.8494101686469715
Energy: 1.6560896246460215
Energy: 1.8731235282332843
Energy: 1.6560896246460215
Energy: 1.6618693718138653
Energy: 1.8548534151538967
Energy: 1.6352032916403165
Energy: 1.8548534151532023
Energy: 1.6618693718138653
Energy: 1.8548534151532023
Energy: 1.651932756814188
Energy: 1.9009291480686084
Energy: 1.635278177064683
Energy: 1.9009291480678805
Energy: 1.651932756814188
Energy: 1.9009291480678805
Energy: 1.6620473059291325
Energy: 1.9265194937820853
Energy: 1.6861668341183766
Energy: 1.9265194937813575
Energy: 1.6620473059291325
Energy: 1.9265194937813575
Energy: 1.6621477445659203
Energy: 1.6519316316885657
Energy: 1.6955382328519226
Energy: 1.651931631690021
Energy: 1.6621477445659203
Energy: 1.651931631690021
Energy: 1.6545841478510728
Energy: 1.8596533567743052
Energy: 1.6925558697734562
Energy: 1.8596533567757605
Energy: 1.6545841478510728
Energy: 1.8596533567757605
Energy: 1.6618171511859345
Energy: 1.9438775747112864
Energy: 1.6945987335104429
Energy: 1.9438775747105588
Energy: 1.6618171511859345
Energy: 1.9438775747112864
Energy: 1.6629990494963727
Energy: 1.8588252862051304
Energy: 1.6926468272010098
Energy: 1.8588252862036754
Energy: 1.6629990494963727
Energy: 1.8588252862036754
Energy: 1.662047577730076
Energy: 1.9053719860382485
Energy: 1.742375825144619
Energy: 1.905371986037521
Energy: 1.662047577730076
Energy: 1.905371986037521
Energy: 1.6629303497453385
Energy: 1.773499599155013
Energy: 1.6353229256887925
Energy: 1.773499599155013
Energy: 1.6629303497453385
Energy: 1.773499599155013
Energy: 1.6780182150404446
Energy: 1.9239886364223604
Energy: 1.6358627849265992
Energy: 1.923988636423088
Energy: 1.6780182150404446
Energy: 1.923988636423088
Energy: 1.6949751962196846
Energy: 1.6375326278452291
Energy: 1.6354335896351082
Energy: 1.6375326278452291
Energy: 1.6949751962196846
Energy: 1.6375326278445013
Energy: 1.6947081917825633
Energy: 1.6382117952027562
Energy: 1.6368769754764216
Energy: 1.638211795201301
Energy: 1.6947081917825633
Energy: 1.638211795201301
Energy: 1.6534990562713823
Energy: 1.901828614142938
Energy: 1.720960729502412
Energy: 1.9018286141414829
Energy: 1.6534990562706546
Energy: 1.9018286141414829
Energy: 1.694367094529726
Energy: 1.9265837185623729
Energy: 1.6369491539993983
Energy: 1.9265837185616452
Energy: 1.694367094529726
Energy: 1.9265837185616452
Energy: 1.692320999999172
Energy: 1.8582636642788637
Energy: 1.6385682236269457
Energy: 1.8582636642774084
Energy: 1.6923209999998996
Energy: 1.8582636642774084
Energy: 1.6508567270688808
Energy: 1.8581477573189482
Energy: 1.6375887392401232
Energy: 1.8581477573189482
Energy: 1.6508567270688808
Energy: 1.8581477573189482
Energy: 1.692329837481325
Energy: 1.7448005480621362
Energy: 1.6356374324193406
Energy: 1.7448005480643194
Energy: 1.692329837481325
Energy: 1.7448005480635915
Energy: 1.6508790871666914
Energy: 1.8580199809314821
Energy: 1.6374488880305602
Energy: 1.8580199809314821
Energy: 1.6508790871666914
Energy: 1.8580199809314821
Energy: 1.6922432886050907
Energy: 1.858291959765348
Energy: 1.638590933271291
Energy: 1.8582919597638927
Energy: 1.6922432886050907
Energy: 1.8582919597638927
Energy: 1.6943665604583085
Energy: 1.9265634919791652
Energy: 1.6369163513360865
Energy: 1.9265634919777104
Energy: 1.6943665604583085
Energy: 1.9265634919777104
Energy: 1.6535636981973316
Energy: 1.9013018455833535
Energy: 1.7210906988426478
Energy: 1.9013018455818982
Energy: 1.6535636981980593
Energy: 1.9013018455826256
Energy: 1.6945529935699102
Energy: 1.6384339554608727
Energy: 1.6369428435135627
Energy: 1.6384339554601448
Energy: 1.6945529935706378
Energy: 1.6384339554601448
Energy: 1.694936017656876
Energy: 1.6374590583136994
Energy: 1.6352780242018874
Energy: 1.637459058312972
Energy: 1.694936017656148
Energy: 1.6374590583136994
Energy: 1.678038451327195
Energy: 1.9239952368282434
Energy: 1.6845450320741675
Energy: 1.9239952368282434
Energy: 1.678038451327195
Energy: 1.9239952368282434
Energy: 1.6624982941463962
Energy: 1.773531852702154
Energy: 1.6353050403319334
Energy: 1.7735318527036092
Energy: 1.6624982941463962
Energy: 1.7735318527028814
Energy: 1.6625592357089534
Energy: 1.9053701712525257
Energy: 1.6998512930053302
Energy: 1.9053701712525257
Energy: 1.6625592357089534
Energy: 1.905370171251798
Energy: 1.6629584915210218
Energy: 1.8588346008391496
Energy: 1.6926031534297266
Energy: 1.8588346008398777
Energy: 1.6629584915217495
Energy: 1.8588346008398777
Energy: 1.6618668500904281
Energy: 1.9438775747105588
Energy: 1.6946588668442162
Energy: 1.9438775747105588
Energy: 1.6618668500904281
Energy: 1.9438775747105588

minimum gb energy = 1.6352032916403165 eV
minimum distance =  2.56473978151813 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.8240722562614613
Energy: 1.874725119137826
Energy: 1.8202313887348842
Energy: 1.874725119137826
Energy: 1.8240722562614613
Energy: 1.874725119137826
Energy: 1.625540404501394
Energy: 1.8085870557723132
Energy: 1.625495304860976
Energy: 1.8085870557729526
Energy: 1.625540404501394
Energy: 1.8085870557729526
Energy: 1.5991699585901848
Energy: 1.8782852971609092
Energy: 1.6255172553785744
Energy: 1.8782852971609092
Energy: 1.5991699585901848
Energy: 1.8782852971609092
Energy: 1.6286923991603313
Energy: 1.9288541367951886
Energy: 1.6212472516660856
Energy: 1.9288541367951886
Energy: 1.6286923991603313
Energy: 1.876475018592364
Energy: 1.587307134214127
Energy: 1.7215859986331805
Energy: 1.6138557027648235
Energy: 1.72158599863382
Energy: 1.5873071342147667
Energy: 1.7215859986331805
Energy: 1.5996647727961637
Energy: 1.855828482469972
Energy: 1.5881219694187865
Energy: 1.855828482469972
Energy: 1.5996647727961637
Energy: 1.855828482469332
Energy: 1.5995025929015458
Energy: 1.8968992392420065
Energy: 1.5870121936040884
Energy: 1.896899239241367
Energy: 1.5995025929021853
Energy: 1.8968992392420065
Energy: 1.5983567098721527
Energy: 1.8778362579071446
Energy: 1.6007153057938663
Energy: 1.8462121677180459
Energy: 1.5983567098721527
Energy: 1.8965750265089771
Energy: 1.5868957563025954
Energy: 1.8452796176327406
Energy: 1.5996506503293406
Energy: 1.8452796176327406
Energy: 1.5868957563032349
Energy: 1.8452796176327406
Energy: 1.5862804447840646
Energy: 1.76573058679068
Energy: 1.5868191669695921
Energy: 1.7657305867913198
Energy: 1.5862804447840646
Energy: 1.7657305867913198
Energy: 1.6276108125014472
Energy: 1.8354237676717877
Energy: 1.6894617720680285
Energy: 1.8354237676717877
Energy: 1.6276108125014472
Energy: 1.8354237676717877
Energy: 1.6253694684989095
Energy: 1.5873721824669655
Energy: 1.5882356179855521
Energy: 1.5873721824669655
Energy: 1.6253694684989095
Energy: 1.5873721824669655
Energy: 1.6257524115472128
Energy: 1.7848176338124149
Energy: 1.608909670181445
Energy: 1.7848176338124149
Energy: 1.6257524115472128
Energy: 1.7848176338124149
Energy: 1.6214141211254767
Energy: 1.634074907560202
Energy: 1.6261132940221137
Energy: 1.6066869556747165
Energy: 1.621414121124837
Energy: 1.6117603710613686
Energy: 1.5861635174595963
Energy: 1.7284996982792014
Energy: 1.6251762520927864
Energy: 1.7284996982785619
Energy: 1.586163517460236
Energy: 1.7284996982798413
Energy: 1.6659583826511073
Energy: 1.7845863744849784
Energy: 1.5986963587715706
Energy: 1.7845863744849784
Energy: 1.6659583826511073
Energy: 1.7845863744849784
Energy: 1.5869452920833698
Energy: 1.7926515009833068
Energy: 1.5869995125553085
Energy: 1.792651500982667
Energy: 1.5869452920833698
Energy: 1.7926515009833068
Energy: 1.601059725532585
Energy: 1.6179809156520686
Energy: 1.5863818411349446
Energy: 1.6179809156520686
Energy: 1.601059725532585
Energy: 1.6179809156514289
Energy: 1.6044247891441112
Energy: 1.8383856452159846
Energy: 1.5986711463457348
Energy: 1.8383856452159846
Energy: 1.6044247891447507
Energy: 1.8383856452159846
Energy: 1.5867667104591112
Energy: 1.6628436499368748
Energy: 1.5863702718949735
Energy: 1.6628436499375145
Energy: 1.5867667104591112
Energy: 1.6628436499375145
Energy: 1.6181455387452668
Energy: 1.599415163357807
Energy: 1.599256709412735
Energy: 1.599415163357807
Energy: 1.6181455387452668
Energy: 1.599415163357807
Energy: 1.5880842652203604
Energy: 1.838454892836094
Energy: 1.5862493093480918
Energy: 1.838454892836094
Energy: 1.5880842652203604
Energy: 1.838454892836094
Energy: 1.5965261198401124
Energy: 1.8384233860005776
Energy: 1.5869313681872537
Energy: 1.8384233860005776
Energy: 1.5965261198401124
Energy: 1.8384233860005776
Energy: 1.628622934056895
Energy: 1.7944891087831172
Energy: 1.6647702421836366
Energy: 1.794489108783757
Energy: 1.6286229340562552
Energy: 1.8926494378672047
Energy: 1.5871177946081942
Energy: 1.719570030648902
Energy: 1.5862167959933589
Energy: 1.719570030648902
Energy: 1.5871177946081942
Energy: 1.719570030648902
Energy: 1.6088845279704078
Energy: 1.7848503319833546
Energy: 1.665849808173403
Energy: 1.7848503319833546
Energy: 1.608884527969768
Energy: 1.7848503319833546
Energy: 1.625394043640946
Energy: 1.5868862003286435
Energy: 1.5866389738635533
Energy: 1.5868862003286435
Energy: 1.625394043640946
Energy: 1.5868862003292832
Energy: 1.6251761405806155
Energy: 1.5871035687396802
Energy: 1.5863609190309655
Energy: 1.5871035687390405
Energy: 1.625176140579976
Energy: 1.5871035687403197
Energy: 1.680056906673466
Energy: 1.7869704255040832
Energy: 1.7262737953278255
Energy: 1.7869704255040832
Energy: 1.680056906673466
Energy: 1.7869704255047227
Energy: 1.5863501194053948
Energy: 1.7903040462106194
Energy: 1.5865383546557976
Energy: 1.7903040462112594
Energy: 1.5863501194053948
Energy: 1.7903040462112594
Energy: 1.5866842442345324
Energy: 1.5992789494089927
Energy: 1.598575022689162
Energy: 1.5992789494089927
Energy: 1.586684244235172
Energy: 1.5992789494089927
Energy: 1.6088068631590633
Energy: 1.8381732153929693
Energy: 1.5882223428906943
Energy: 1.8381732153929693
Energy: 1.6088068631584236
Energy: 1.8381732153929693
Energy: 1.5871291995901544
Energy: 1.857691444593153
Energy: 1.599243061174287
Energy: 1.857691444593153
Energy: 1.5871291995901544
Energy: 1.857691444593153

minimum gb energy = 1.5861635174595963 eV
minimum distance =  2.57618936212397 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.019573093148606217
Energy: 0.020594811671220455
Energy: 1.812691801866392
Energy: 0.02059481166812043
Energy: 0.019573093148606217
Energy: 0.020594811670718548
Energy: 0.020105119548597714
Energy: 0.9621949841943234
Energy: 0.020105119548597714
Energy: 0.9621949841922273
Energy: 0.020105119548597714
Energy: 0.9621949841948253
Energy: 2.0120730381520207
Energy: 0.020594811667589
Energy: 0.019573093148606217
Energy: 0.02059481167278523
Energy: 2.0120730381520207
Energy: 0.020594811671751888
Energy: 0.020105119548597714
Energy: 0.9621949841943234
Energy: 0.020105119548095806
Energy: 0.962194984193792
Energy: 0.020105119548095806
Energy: 0.9621949841943234

minimum gb energy = 0.019573093148606217 eV
minimum distance =  2.83543101602595 Angstroms
sigma value = 1