Model name: model_name=Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391734480858
cohesive_energy=4.450349978305024
mass=58.6934
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: 0.018146581413136523
Energy: 1.451819097412408
Energy: 0.018146581413136523
Energy: 1.451819097412408
Energy: 0.018146581413136523
Energy: 1.451819097412408
Energy: 1.451819097412408
Energy: 1.1733294553379987
Energy: 1.451819097412408
Energy: 1.5879396270284447
Energy: 1.451819097412408
Energy: 1.6582888822779722
Energy: 0.018146581413136523
Energy: 1.451819097412408
Energy: 0.018146581413136523
Energy: 1.451819097412408
Energy: 0.018146581413136523
Energy: 1.451819097412408
Energy: 1.451819097412408
Energy: 1.5879396270281143
Energy: 1.451819097412408
Energy: 1.6582888822779722
Energy: 1.451819097412408
Energy: 1.6582888822776418
Energy: 0.018146581413136523
Energy: 1.4518190974127017
Energy: 0.018146581413136523
Energy: 1.4518190974120775
Energy: 0.018146581413136523
Energy: 1.451819097412408
Energy: 1.451819097412408
Energy: 1.6582888822779722
Energy: 1.451819097412408
Energy: 1.6582888822779722
Energy: 1.451819097412408
Energy: 1.6582888822779722

minimum gb energy = 0.018146581413136523 eV
minimum distance =  2.32661733160787 Angstroms
sigma value = 1


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

Energy: 1.562267854316783
Energy: 1.447489458509428
Energy: 1.5622678543175783
Energy: 1.4474894585086326
Energy: 1.5622678543175783
Energy: 1.4474894585086326
Energy: 1.7364346304699738
Energy: 1.3593825821094199
Energy: 1.7364346304699738
Energy: 1.3593825821094199
Energy: 1.7364346304699738
Energy: 1.3593825821102155
Energy: 1.466414607772869
Energy: 1.5266234240493275
Energy: 1.466414607772869
Energy: 1.5266234240493275
Energy: 1.4664146077720734
Energy: 1.5266234240493275
Energy: 1.6294908018568963
Energy: 1.4099249884517122
Energy: 1.629490801857692
Energy: 1.4099249884525078
Energy: 1.629490801857692
Energy: 1.4099249884517122
Energy: 1.4681729692139565
Energy: 1.5894236889398965
Energy: 1.4681729692131609
Energy: 1.5894236889398965
Energy: 1.4681729692139565
Energy: 1.5894236889398965
Energy: 1.5666660160195236
Energy: 1.4043154800723963
Energy: 1.566666016018728
Energy: 1.4043154800731918
Energy: 1.566666016018728
Energy: 1.4043154800723963
Energy: 1.4707701894705545
Energy: 1.5315517168620485
Energy: 1.4707701894729408
Energy: 1.5315517168620485
Energy: 1.4707701894721457
Energy: 1.531551716862844
Energy: 1.4185496800391535
Energy: 1.6418321668854388
Energy: 1.4185496800391535
Energy: 1.6418321668854388
Energy: 1.4185496800391535
Energy: 1.6418321668854388
Energy: 1.543120671087987
Energy: 1.5356562206310191
Energy: 1.5431206710871916
Energy: 1.5356562206310191
Energy: 1.5431206710871916
Energy: 1.5356562206310191
Energy: 1.3448170214123523
Energy: 1.622484924537479
Energy: 1.3448170214123523
Energy: 1.6224849245366835
Energy: 1.3448170214123523
Energy: 1.6224849245366835
Energy: 1.7241646743259351
Energy: 1.3937416995982301
Energy: 1.7241646743251393
Energy: 1.3937416995982301
Energy: 1.7241646743251393
Energy: 1.3937416995982301
Energy: 1.316208669474184
Energy: 1.8426309470908402
Energy: 1.316208669474184
Energy: 1.8426309470908402
Energy: 1.316208669474184
Energy: 1.8426309470908402
Energy: 1.6312886671987767
Energy: 1.3115579768110515
Energy: 1.6312886671987767
Energy: 1.3115579768110515
Energy: 1.6312886671987767
Energy: 1.3115579768110515
Energy: 1.4164683792002115
Energy: 1.4177865082094931
Energy: 1.416468379199416
Energy: 1.4177865082086978
Energy: 1.416468379199416
Energy: 1.4177865082086978
Energy: 1.7258464703650986
Energy: 1.3543319129943707
Energy: 1.7258464703658942
Energy: 1.3543319129935751
Energy: 1.7258464703658942
Energy: 1.3543319129935751
Energy: 1.7245563197279075
Energy: 1.5555393700407116
Energy: 1.7245563197279075
Energy: 1.5555393700415074
Energy: 1.7245563197279075
Energy: 1.555539370042303
Energy: 1.514972797741317
Energy: 1.4817248303846677
Energy: 1.5149727977405212
Energy: 1.4817248303854633
Energy: 1.514972797741317
Energy: 1.4817248303854633
Energy: 1.5150912894142887
Energy: 1.4388653909184272
Energy: 1.5150912894134931
Energy: 1.4388653909192228
Energy: 1.5150912894134931
Energy: 1.4388653909192228
Energy: 1.3495150298192038
Energy: 1.4128377193715278
Energy: 1.3495150298199996
Energy: 1.4128377193715278
Energy: 1.3495150298199996
Energy: 1.4128377193715278
Energy: 1.5448123761939465
Energy: 1.405001248734337
Energy: 1.5448123761931511
Energy: 1.405001248734337
Energy: 1.5448123761939465
Energy: 1.405001248734337
Energy: 1.3723653331255095
Energy: 1.8685968730825016
Energy: 1.3723653331255095
Energy: 1.8685968730825016
Energy: 1.3723653331255095
Energy: 1.8685968730832971
Energy: 1.524126379970274
Energy: 1.538753945471413
Energy: 1.5241263799710694
Energy: 1.5387539454706174
Energy: 1.5241263799710694
Energy: 1.5387539454706174
Energy: 1.3322504220591258
Energy: 1.6119985793165208
Energy: 1.3322504220583304
Energy: 1.6119985793173164
Energy: 1.3322504220583304
Energy: 1.6119985793165208

minimum gb energy = 1.3115579768110515 eV
minimum distance =  2.23136534650611 Angstroms
sigma value = 33


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

Energy: 1.6864119229078869
Energy: 1.6016290861040476
Energy: 1.5597236382125126
Energy: 1.6016290861045002
Energy: 1.6864119229074346
Energy: 1.6016290861045002
Energy: 1.599587759915841
Energy: 1.429262485217376
Energy: 1.599587759915841
Energy: 1.429262485217376
Energy: 1.599587759916293
Energy: 1.4292624852178286
Energy: 1.3680068995429364
Energy: 1.2999966402368603
Energy: 1.3680068995433892
Energy: 1.2999966402368603
Energy: 1.3680068995424841
Energy: 1.2999966402373127
Energy: 1.6812839247649551
Energy: 1.6291138736192063
Energy: 1.6812839247654077
Energy: 1.6291138736192063
Energy: 1.6812839247654077
Energy: 1.6291138736192063
Energy: 1.4979495013178743
Energy: 1.5098602307441527
Energy: 1.4979495013178743
Energy: 1.5098602307441527
Energy: 1.4979495013183268
Energy: 1.5098602307441527
Energy: 1.3902101884922222
Energy: 1.3671832744077081
Energy: 1.3902101884922222
Energy: 1.3673063762130981
Energy: 1.3902101884926747
Energy: 1.3671832744072556
Energy: 1.6018061839502835
Energy: 1.6136163140392663
Energy: 1.6018061839348983
Energy: 1.5550435433210124
Energy: 1.6018061839661215
Energy: 1.6136163140392663
Energy: 1.2977355481304154
Energy: 1.3484498929656303
Energy: 1.2977355481304154
Energy: 1.3484498929620103
Energy: 1.2977355481304154
Energy: 1.3484498929611053
Energy: 1.3785113452417936
Energy: 1.3712018031040365
Energy: 1.3785113452422462
Energy: 1.371201803103584
Energy: 1.3785113452417936
Energy: 1.371201803103584
Energy: 1.346497397481771
Energy: 1.670332226003656
Energy: 1.3464960106614743
Energy: 1.670332226003656
Energy: 1.346497397481771
Energy: 1.670332226003656
Energy: 1.5203016282862178
Energy: 1.3486608666678774
Energy: 1.52030162827219
Energy: 1.34866086666833
Energy: 1.5203016282717372
Energy: 1.34866086666833
Energy: 1.3667575146883513
Energy: 1.4486253720171647
Energy: 1.3667577127541444
Energy: 1.4486253720171647
Energy: 1.3667575146883513
Energy: 1.4486253720171647
Energy: 1.5493045035960464
Energy: 1.3608202526662179
Energy: 1.5493045035960464
Energy: 1.3608202526662179
Energy: 1.5493045035955937
Energy: 1.3608202526662179
Energy: 1.5490466264676916
Energy: 1.5472076057469988
Energy: 1.5490466264681442
Energy: 1.5472076057469988
Energy: 1.5490466264676916
Energy: 1.5472076057465465
Energy: 1.5263059657628069
Energy: 1.4291698669834996
Energy: 1.5263059657628069
Energy: 1.4291698669834996
Energy: 1.5263059657628069
Energy: 1.4291698669834996
Energy: 1.373615679187497
Energy: 1.3002216622796998
Energy: 1.373615679187497
Energy: 1.3002216622819625
Energy: 1.3736156791879495
Energy: 1.3002216622815097
Energy: 1.722405613449454
Energy: 1.5516854888460534
Energy: 1.722405613449454
Energy: 1.5516854888460534
Energy: 1.722405613449454
Energy: 1.5516854888460534
Energy: 1.4970031661617198
Energy: 1.382356280835896
Energy: 1.4970031661617198
Energy: 1.3823211432450173
Energy: 1.4970031661617198
Energy: 1.382356280835896
Energy: 1.448985293703899
Energy: 1.4502880329571457
Energy: 1.448985293703899
Energy: 1.4558083450127814
Energy: 1.4489852937043515
Energy: 1.4502880329571457
Energy: 1.6034386446258106
Energy: 1.5639850623999056
Energy: 1.6034386446258106
Energy: 1.6241469057264581
Energy: 1.6034386446258106
Energy: 1.5639850624003584
Energy: 1.295518147812365
Energy: 1.3770488222627282
Energy: 1.2955181478128173
Energy: 1.3770488222921005
Energy: 1.295518147812365
Energy: 1.377048822251868
Energy: 1.5910500724841015
Energy: 1.371123451282773
Energy: 1.5910500724877215
Energy: 1.371123451282773
Energy: 1.5910500724886267
Energy: 1.371123451282773
Energy: 1.3462690875379186
Energy: 1.9790022317152958
Energy: 1.3462656690442782
Energy: 1.9790022317152958
Energy: 1.3462690875375074
Energy: 1.9790022317152958
Energy: 1.4765431967745104
Energy: 1.4981081506711318
Energy: 1.476543196774058
Energy: 1.4981081506711318
Energy: 1.4765431967749632
Energy: 1.4981081506711318
Energy: 1.3682104746417403
Energy: 1.4114554512118649
Energy: 1.3679020224150535
Energy: 1.4114554512114121
Energy: 1.3682104746417403
Energy: 1.4114554512109596
Energy: 1.6664197997771455
Energy: 1.606040889142745
Energy: 1.5494620719576049
Energy: 1.60604088914365
Energy: 1.6664197997771455
Energy: 1.606040889142745
Energy: 1.3486773872074078
Energy: 1.2886628006926664
Energy: 1.549503186877301
Energy: 1.2886628006904037
Energy: 1.3486773871938325
Energy: 1.2886628006935712
Energy: 1.3685531351339797
Energy: 1.4360776745101353
Energy: 1.3685531351339797
Energy: 1.4360776745101353
Energy: 1.3685531351339797
Energy: 1.436077674509683
Energy: 1.6712787410684642
Energy: 1.4287548145459077
Energy: 1.6712787410684642
Energy: 1.4287548145454554
Energy: 1.6712787410684642
Energy: 1.4287548145454554
Energy: 1.346344000467644
Energy: 1.4695196546582334
Energy: 1.346344000467644
Energy: 1.4695196546532558
Energy: 1.346344000467644
Energy: 1.4695196546559708
Energy: 1.9199609790072139
Energy: 1.371148424699843
Energy: 1.9199609790076664
Energy: 1.371193153194201
Energy: 1.9199609790076664
Energy: 1.3711484247002956
Energy: 1.3600408316525943
Energy: 1.6082528214479601
Energy: 1.3600408316525943
Energy: 1.5494966731469657
Energy: 1.3600408316525943
Energy: 1.6082528214479601
Energy: 1.604413193832545
Energy: 1.6274658179398074
Energy: 1.604413193832545
Energy: 1.5642507779755674
Energy: 1.604413193832545
Energy: 1.6274658179398074
Energy: 1.4309475919397683
Energy: 1.5254716105172665
Energy: 1.4309475919402208
Energy: 1.5254716105172665
Energy: 1.4309475919397683
Energy: 1.5254716105172665
Energy: 1.3027373779978404
Energy: 1.3733059423678995
Energy: 1.3027373779978404
Energy: 1.3733059423678995
Energy: 1.302737377998293
Energy: 1.3733059423678995
Energy: 1.6204590919098796
Energy: 1.6822582604974405
Energy: 1.620459091910332
Energy: 1.6822582604974405
Energy: 1.6204590919098796
Energy: 1.6822582604974405
Energy: 1.3819402872865956
Energy: 1.4969673031108293
Energy: 1.3819417180534488
Energy: 1.4969673031112816
Energy: 1.3819402872865956
Energy: 1.4969673031108293
Energy: 1.451081859916913
Energy: 1.390290682732637
Energy: 1.451081859916913
Energy: 1.390290682732637
Energy: 1.4510818599173656
Energy: 1.3902906827330892
Energy: 1.5490281185486976
Energy: 1.6079206384820495
Energy: 1.5490281185491503
Energy: 1.6079206384820495
Energy: 1.5490281185486976
Energy: 1.6079206384820495
Energy: 1.5156909203996982
Energy: 1.2964305529722069
Energy: 1.5156909203992455
Energy: 1.2964305529726594
Energy: 1.5156909203996982
Energy: 1.2964305529731117
Energy: 1.366780659870426
Energy: 1.3745319088366337
Energy: 1.366780659870426
Energy: 1.3745319088370862
Energy: 1.366780659870426
Energy: 1.3745319088370862

minimum gb energy = 1.2886628006904037 eV
minimum distance =  2.32229660314555 Angstroms
sigma value = 51


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

Energy: 1.500309773728159
Energy: 1.501916407153149
Energy: 1.500309773728159
Energy: 1.501916407153149
Energy: 1.5003097737271105
Energy: 1.501916407153149
Energy: 1.741001396898919
Energy: 1.41895824725337
Energy: 1.741001396898919
Energy: 1.41895824725337
Energy: 1.7410013968978708
Energy: 1.41895824725337
Energy: 1.441218598884118
Energy: 1.466968733200932
Energy: 1.441218598884118
Energy: 1.466968733200932
Energy: 1.441218598884118
Energy: 1.466968733200932
Energy: 1.4755986948710342
Energy: 1.3046721557987675
Energy: 1.4755986948710342
Energy: 1.3046721557987675
Energy: 1.4755986948710342
Energy: 1.3046721557987675
Energy: 1.5200368597609744
Energy: 1.4583715670658874
Energy: 1.5200368597609744
Energy: 1.4583715670658874
Energy: 1.5200368597609744
Energy: 1.4583715670658874
Energy: 1.5186175080035023
Energy: 1.4581321818772162
Energy: 1.5186175080035023
Energy: 1.4581321818772162
Energy: 1.5186175080035023
Energy: 1.4581321818772162
Energy: 1.4004122097361824
Energy: 1.4584278885510384
Energy: 1.4004122097361824
Energy: 1.4584278885510384
Energy: 1.4004122097351341
Energy: 1.4584278885510384
Energy: 1.3864096610016763
Energy: 1.4589481981834098
Energy: 1.3864096610016763
Energy: 1.4589481981834098
Energy: 1.3864096610016763
Energy: 1.4589481981834098
Energy: 1.7152434778754135
Energy: 1.300084759769653
Energy: 1.7152434778754135
Energy: 1.300084759769653
Energy: 1.7152434778754135
Energy: 1.300084759769653
Energy: 1.3313351885238045
Energy: 1.7112359401716124
Energy: 1.3313351885238045
Energy: 1.7112359401705641
Energy: 1.331335188524853
Energy: 1.7112359401716124
Energy: 1.7237064083671565
Energy: 1.3171769977570038
Energy: 1.7237064083671565
Energy: 1.3171769977570038
Energy: 1.7237064083671565
Energy: 1.3171769977570038
Energy: 1.5055906161969859
Energy: 1.5047237879099806
Energy: 1.5055906161969859
Energy: 1.5047237879099806
Energy: 1.5055906161969859
Energy: 1.5047237879099806
Energy: 1.7588719475211745
Energy: 1.4194256521788948
Energy: 1.7588719475211745
Energy: 1.4194256521788948
Energy: 1.7588719475211745
Energy: 1.4194256521788948
Energy: 1.441239894660069
Energy: 1.4058424614293996
Energy: 1.441239894660069
Energy: 1.4058424614293996
Energy: 1.441239894660069
Energy: 1.4058424614293996
Energy: 1.473411583032338
Energy: 1.4873124958284687
Energy: 1.473411583032338
Energy: 1.4873124958284687
Energy: 1.473411583032338
Energy: 1.4873124958295174
Energy: 1.5191227275949513
Energy: 1.4582257665890586
Energy: 1.5191227275949513
Energy: 1.4582257665890586
Energy: 1.5191227275949513
Energy: 1.4582257665890586
Energy: 1.521652271643992
Energy: 1.6002720313499974
Energy: 1.521652271643992
Energy: 1.6002720313499974
Energy: 1.5216522716429433
Energy: 1.6002720313499974
Energy: 1.4568017097252446
Energy: 1.458669572001273
Energy: 1.4568017097252446
Energy: 1.458669572001273
Energy: 1.4568017097252446
Energy: 1.458669572001273

minimum gb energy = 1.300084759769653 eV
minimum distance =  2.243130256586 Angstroms
sigma value = 19


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

Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.4724543109947201
Energy: 1.5117382172516969
Energy: 1.4724543109934765
Energy: 1.5117382172516969
Energy: 1.4724543109928543
Energy: 1.5117382172516969
Energy: 1.1589386049089911
Energy: 1.5109412554067667
Energy: 1.1589386049089911
Energy: 1.5109412554073889
Energy: 1.1589386049089911
Energy: 1.5109412554073889
Energy: 1.2635673883704803
Energy: 1.158944798276793
Energy: 1.2635673883704803
Energy: 1.158944798276793
Energy: 1.2635673883704803
Energy: 1.1589447982774148
Energy: 1.1816456053918034
Energy: 1.2014372043737693
Energy: 1.1816456053912097
Energy: 1.2014372043743913
Energy: 1.1816456053918034
Energy: 1.2014372043743913
Energy: 1.1817044060210349
Energy: 1.2012323449073619
Energy: 1.1817044060222786
Energy: 1.2012323449073619
Energy: 1.1817044060210349
Energy: 1.20123234490674
Energy: 1.2636974692584504
Energy: 1.1589487971884878
Energy: 1.2636974692578284
Energy: 1.1589487971884878
Energy: 1.2636974692578284
Energy: 1.1589487971872436
Energy: 1.1589197746740145
Energy: 1.5109506782699131
Energy: 1.1589197746740145
Energy: 1.5109506782692912
Energy: 1.1589197746740145
Energy: 1.5109506782692912
Energy: 1.4723353616024006
Energy: 1.5116924781809256
Energy: 1.4723353616030226
Energy: 1.5116924781790597
Energy: 1.4723353616030226
Energy: 1.5116924781790597
Energy: 1.2024360134364782
Energy: 1.225391051123119
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.4724543109928543
Energy: 1.5117382172516969
Energy: 1.4724543109928543
Energy: 1.5117382172516969
Energy: 1.4724543109928543
Energy: 1.5117382172516969
Energy: 1.158938604910857
Energy: 1.5109412554073889
Energy: 1.1589386049089911
Energy: 1.5109412554067667
Energy: 1.158938604909613
Energy: 1.5109412554073889
Energy: 1.2635673883711025
Energy: 1.158944798276793
Energy: 1.2635673883704803
Energy: 1.1589447982774148
Energy: 1.2635673883704803
Energy: 1.158944798276793
Energy: 1.1816456053924251
Energy: 1.2014372043731474
Energy: 1.1816456053912097
Energy: 1.2014372043737693
Energy: 1.1816456053918034
Energy: 1.2014372043737693
Energy: 1.1817044060216566
Energy: 1.20123234490674
Energy: 1.1817044060222786
Energy: 1.20123234490674
Energy: 1.1817044060216566
Energy: 1.2012323449073619
Energy: 1.2636974692572065
Energy: 1.1589487971878658
Energy: 1.2636974692578284
Energy: 1.1589487971872436
Energy: 1.2636974692572065
Energy: 1.1589487971878658
Energy: 1.1589197746740145
Energy: 1.5109506782692912
Energy: 1.1589197746740145
Energy: 1.5109506782692912
Energy: 1.1589197746740145
Energy: 1.5109506782692912
Energy: 1.4723353616036443
Energy: 1.5116924781796817
Energy: 1.4723353616030226
Energy: 1.5116924781796817
Energy: 1.4723353616042663
Energy: 1.5116924781796817
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.2024360134364782
Energy: 1.225391051123119
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.4724543109922326
Energy: 1.5117382172516969
Energy: 1.4724543109934765
Energy: 1.5117382172516969
Energy: 1.4724543109934765
Energy: 1.5117382172516969
Energy: 1.158938604909613
Energy: 1.5109412554073889
Energy: 1.158938604910235
Energy: 1.5109412554073889
Energy: 1.1589386049089911
Energy: 1.5109412554073889
Energy: 1.2635673883704803
Energy: 1.158944798276793
Energy: 1.2635673883704803
Energy: 1.158944798276793
Energy: 1.2635673883704803
Energy: 1.158944798276793
Energy: 1.1816456053912097
Energy: 1.2014372043731474
Energy: 1.1816456053924251
Energy: 1.2014372043743913
Energy: 1.1816456053912097
Energy: 1.2014372043743913
Energy: 1.1817044060222786
Energy: 1.2012323449073619
Energy: 1.1817044060216566
Energy: 1.2012323449073619
Energy: 1.1817044060216566
Energy: 1.20123234490674
Energy: 1.2636974692578284
Energy: 1.1589487971884878
Energy: 1.2636974692584504
Energy: 1.1589487971878658
Energy: 1.2636974692578284
Energy: 1.1589487971878658
Energy: 1.1589197746746365
Energy: 1.5109506782692912
Energy: 1.1589197746740145
Energy: 1.5109506782699131
Energy: 1.1589197746740145
Energy: 1.5109506782692912
Energy: 1.4723353616030226
Energy: 1.5116924781796817
Energy: 1.4723353616042663
Energy: 1.5116924781790597
Energy: 1.4723353616036443
Energy: 1.5116924781803036
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.2024360134371
Energy: 1.225391051123119
Energy: 1.4724543109934765
Energy: 1.5117382172516969
Energy: 1.4724543109934765
Energy: 1.5117382172516969
Energy: 1.4724543109934765
Energy: 1.5117382172516969
Energy: 1.158938604909613
Energy: 1.5109412554073889
Energy: 1.158938604909613
Energy: 1.5109412554073889
Energy: 1.158938604909613
Energy: 1.5109412554073889

minimum gb energy = 1.1589197746740145 eV
minimum distance =  2.24531395991157 Angstroms
sigma value = 27


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

Energy: 1.2120486700721174
Energy: 1.1742998186088633
Energy: 1.2120486700721174
Energy: 1.1742998186088633
Energy: 1.2120486700721174
Energy: 1.1742998186088633
Energy: 1.4988979737793364
Energy: 1.2280719214349998
Energy: 1.4988979737793364
Energy: 1.2280719214349998
Energy: 1.4988979737793364
Energy: 1.2280719214334763
Energy: 1.2543899512529983
Energy: 1.3549967033300752
Energy: 1.2543899512545216
Energy: 1.3549967033300752
Energy: 1.2543899512529983
Energy: 1.3549967033315984
Energy: 1.5368516495269777
Energy: 1.1408061740486555
Energy: 1.5368516495269777
Energy: 1.1408061740501787
Energy: 1.5368516495269777
Energy: 1.1408061740501787
Energy: 1.5389313021282536
Energy: 1.1405566240602945
Energy: 1.5389313021282536
Energy: 1.1405566240602945
Energy: 1.5389313021282536
Energy: 1.1405566240602945
Energy: 1.4152710091473408
Energy: 1.4751364267628062
Energy: 1.4152710091473408
Energy: 1.4751364267628062
Energy: 1.4152710091458174
Energy: 1.4751364267628062
Energy: 1.3182811927263693
Energy: 1.231738551872738
Energy: 1.3182811927263693
Energy: 1.231738551872738
Energy: 1.3182811927263693
Energy: 1.231738551872738
Energy: 1.2092254853761233
Energy: 1.1757939288148311
Energy: 1.2092254853761233
Energy: 1.1757939288148311
Energy: 1.2092254853761233
Energy: 1.1757939288148311
Energy: 1.5102896250197753
Energy: 1.2195548204579525
Energy: 1.5102896250197753
Energy: 1.2195548186931475
Energy: 1.5102896250197753
Energy: 1.2195548243378371
Energy: 1.328383186678963
Energy: 1.4410450281195308
Energy: 1.328383186678963
Energy: 1.4410450281149607
Energy: 1.3283831866774398
Energy: 1.4410450281195308
Energy: 1.288723922852066
Energy: 1.1408033153107084
Energy: 1.288723922852066
Energy: 1.1408033153107084
Energy: 1.288723922852066
Energy: 1.1408033153107084
Energy: 1.4710342008302983
Energy: 1.3590823016343747
Energy: 1.4710342008302983
Energy: 1.3590823016343747
Energy: 1.4710342008302983
Energy: 1.3590823016343747

minimum gb energy = 1.1405566240602945 eV
minimum distance =  2.22102498308773 Angstroms
sigma value = 9


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

Energy: 1.2634760569597367
Energy: 1.2033826317772225
Energy: 1.2634760569593086
Energy: 1.2033826317772225
Energy: 1.2634760569597367
Energy: 1.2033826317767944
Energy: 1.2654571548113152
Energy: 1.1898169761931248
Energy: 1.2654571548083189
Energy: 1.258220831331038
Energy: 1.2654571548104592
Energy: 1.1897914972254602
Energy: 1.0758793650157725
Energy: 1.5001920466425485
Energy: 1.0758793650153444
Energy: 1.5001920466425485
Energy: 1.0758793650157725
Energy: 1.5001920466421206
Energy: 1.1037456675243844
Energy: 1.055970514869059
Energy: 1.1037456675243844
Energy: 1.055970514869059
Energy: 1.1037456675243844
Energy: 1.055970514869059
Energy: 1.2248720957841202
Energy: 1.1610820095953964
Energy: 1.2248720957841202
Energy: 1.1610820095962524
Energy: 1.2248720957841202
Energy: 1.1610820095962524
Energy: 1.2240293794409662
Energy: 1.2091392250096382
Energy: 1.2240293794405384
Energy: 1.2356954997859015
Energy: 1.2240293794413946
Energy: 1.2356954997859015
Energy: 1.1488243528862776
Energy: 1.2618446151260636
Energy: 1.1488243528858497
Energy: 1.2618446151260636
Energy: 1.1488243528862776
Energy: 1.261844615126492
Energy: 1.0284015514731426
Energy: 1.2554515805422435
Energy: 1.0284015514731426
Energy: 1.2554515805422435
Energy: 1.0284015514731426
Energy: 1.2554515805418154
Energy: 1.3909691583394705
Energy: 1.1605954792193567
Energy: 1.3909691583390429
Energy: 1.1605954792193567
Energy: 1.3909691583398986
Energy: 1.1605954792202127
Energy: 1.216248567595298
Energy: 1.4830626884734273
Energy: 1.21624856759487
Energy: 1.4830626884734273
Energy: 1.21624856759487
Energy: 1.4830626884734273
Energy: 1.102268539090287
Energy: 1.0602275682389992
Energy: 1.1022685390911429
Energy: 1.0602275682389992
Energy: 1.102268539090715
Energy: 1.0602275682389992
Energy: 1.1489267553606628
Energy: 1.2578365601098536
Energy: 1.148926755361091
Energy: 1.2578365601094255
Energy: 1.1489267553606628
Energy: 1.2578365601094255
Energy: 1.3173756237989178
Energy: 1.1908452210507763
Energy: 1.3173756237984897
Energy: 1.1908452210503484
Energy: 1.3173756237984897
Energy: 1.1908452210507763
Energy: 1.2615567580691631
Energy: 1.5006734770685515
Energy: 1.261556758069591
Energy: 1.5006734770689794
Energy: 1.2615567580674507
Energy: 1.5006734770685515
Energy: 1.0751266053264221
Energy: 1.2301366671640128
Energy: 1.0751266053264221
Energy: 1.2301366671644407
Energy: 1.0751266053264221
Energy: 1.2301366671644407
Energy: 1.3271565230832751
Energy: 1.246149442039531
Energy: 1.327156523082847
Energy: 1.246149442039531
Energy: 1.3271565230832751
Energy: 1.246149442040387
Energy: 1.4302639650439335
Energy: 1.0564171245421308
Energy: 1.4302639650439335
Energy: 1.056417124542987
Energy: 1.4302639650439335
Energy: 1.0564171245421308
Energy: 1.0881260586319141
Energy: 1.16532676771401
Energy: 1.0881260586319141
Energy: 1.165326767713582
Energy: 1.0881260586319141
Energy: 1.165326767713582
Energy: 1.0248806762142177
Energy: 1.4734161065056588
Energy: 1.0248806762142177
Energy: 1.473416106506087
Energy: 1.0248806762137896
Energy: 1.4734161065056588
Energy: 1.4697370511094265
Energy: 1.2666481188841667
Energy: 1.4697370511094265
Energy: 1.1910550614906898
Energy: 1.4697370511089987
Energy: 1.2414459393031922
Energy: 1.0248670242177353
Energy: 1.4740504004826986
Energy: 1.024867024218163
Energy: 1.4740504004835546
Energy: 1.0248670242177353
Energy: 1.4740504004831267
Energy: 1.088455975182746
Energy: 1.165375326385333
Energy: 1.088455975182746
Energy: 1.165375326385333
Energy: 1.0884559751823182
Energy: 1.165375326384905
Energy: 1.4303713265595508
Energy: 1.0568641025921033
Energy: 1.4303713265595508
Energy: 1.0568641025916752
Energy: 1.4303713265595508
Energy: 1.0568641025921033
Energy: 1.3271463265866539
Energy: 1.246360711924935
Energy: 1.327146326585798
Energy: 1.246360711924935
Energy: 1.3271463265862256
Energy: 1.2463607119245068
Energy: 1.075266320051168
Energy: 1.2298800257708122
Energy: 1.075266320051168
Energy: 1.2298800257703844
Energy: 1.075266320051168
Energy: 1.2298800257703844
Energy: 1.2616447510188782
Energy: 1.2991520434981887
Energy: 1.2616447510197344
Energy: 1.2991520434977608
Energy: 1.2616447510193063
Energy: 1.2991520434986168
Energy: 1.3173525131963943
Energy: 1.1908915411164551
Energy: 1.3173525131976784
Energy: 1.190891541116883
Energy: 1.3173525131968224
Energy: 1.190891541116883
Energy: 1.1491448616768536
Energy: 1.1728565631426957
Energy: 1.1491448616764257
Energy: 1.172856563143124
Energy: 1.1491448616772817
Energy: 1.172856563143124
Energy: 1.1023602252023232
Energy: 1.0602783795196757
Energy: 1.1023602252027513
Energy: 1.0602783795192476
Energy: 1.1023602252031794
Energy: 1.0602783795192476
Energy: 1.2073284242097575
Energy: 1.4844656530342095
Energy: 1.2073284242097575
Energy: 1.4844656530342095
Energy: 1.2073284242093296
Energy: 1.4844656530342095
Energy: 1.3907720916382729
Energy: 1.1608284898880692
Energy: 1.3907720916387012
Energy: 1.1608284898889252
Energy: 1.3907720916387012
Energy: 1.1608284898889252
Energy: 1.0284368721330128
Energy: 1.2553066181537356
Energy: 1.0284368721330128
Energy: 1.2553066181541637
Energy: 1.0284368721334411
Energy: 1.2553066181537356
Energy: 1.149128301998518
Energy: 1.2621992614122517
Energy: 1.1491283019980898
Energy: 1.2621992614109676
Energy: 1.149128301998946
Energy: 1.2621992614109676
Energy: 1.2238571966546115
Energy: 1.265220694572527
Energy: 1.2238571966550391
Energy: 1.2652206402299393
Energy: 1.2238571966546115
Energy: 1.1955037717578898
Energy: 1.2248663598736043
Energy: 1.1610811003418344
Energy: 1.2248663598731762
Energy: 1.1610811003422625
Energy: 1.2248663598736043
Energy: 1.1610811003435464
Energy: 1.103732932634561
Energy: 1.0557554506191624
Energy: 1.103732932634561
Energy: 1.0557554506183064
Energy: 1.103732932634989
Energy: 1.0557554506187343
Energy: 1.075859459380608
Energy: 1.5002018795515786
Energy: 1.075859459380608
Energy: 1.500201879552435
Energy: 1.075859459381036
Energy: 1.500201879552435
Energy: 1.2643208873858365
Energy: 1.142677223927579
Energy: 1.2643208873871206
Energy: 1.142677223927579
Energy: 1.2643208873802718
Energy: 1.142677223928435
Energy: 1.2634760569593086
Energy: 1.2033826317772225
Energy: 1.2634760569593086
Energy: 1.2033826317780785
Energy: 1.2634760569593086
Energy: 1.2033826317776504
Energy: 1.2654571548104592
Energy: 1.1476514194667646
Energy: 1.2654571548087468
Energy: 1.1476514194663368
Energy: 1.2654571548083189
Energy: 1.1476514194671927
Energy: 1.0758793650153444
Energy: 1.5001920466421206
Energy: 1.0758793650157725
Energy: 1.5001920466421206
Energy: 1.0758793650157725
Energy: 1.5001920466416925
Energy: 1.1037456675243844
Energy: 1.0559705148686307
Energy: 1.1037456675243844
Energy: 1.0559705148686307
Energy: 1.1037456675248123
Energy: 1.055970514869059
Energy: 1.2248720957841202
Energy: 1.1610820095953964
Energy: 1.2248720957841202
Energy: 1.1610820095958243
Energy: 1.2248720957841202
Energy: 1.1610820095962524

minimum gb energy = 1.0248670242177353 eV
minimum distance =  2.30167519486872 Angstroms
sigma value = 57


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

Energy: 0.550307022136584
Energy: 0.5628653974863077
Energy: 0.5503070221375583
Energy: 0.562865397487282
Energy: 0.550307022136584
Energy: 0.5628653974863077
Energy: 0.7101141099035212
Energy: 0.5511008849565996
Energy: 0.7101141099035212
Energy: 0.5511008849565996
Energy: 0.7101141099035212
Energy: 0.5511008849565996
Energy: 0.6178657045435139
Energy: 0.681144117998986
Energy: 0.6178657045435139
Energy: 0.6811441180019091
Energy: 0.6178657045435139
Energy: 0.6811441180019091
Energy: 0.5627284510115536
Energy: 0.5501954640046135
Energy: 0.5627284510115536
Energy: 0.5501954640075367
Energy: 0.5627284510115536
Energy: 0.5501954640065623
Energy: 0.7106033247870994
Energy: 0.7160207017874034
Energy: 0.7106033247870994
Energy: 0.7160207017874034
Energy: 0.7106033247870994
Energy: 0.7160207017874034
Energy: 0.5503991550727445
Energy: 0.6171399356475477
Energy: 0.5503991550727445
Energy: 0.6171399356475477
Energy: 0.550399155073719
Energy: 0.6171399356465733
Energy: 0.5505227753273655
Energy: 0.6170458911512856
Energy: 0.5505227753283398
Energy: 0.6170458911503113
Energy: 0.550522775326391
Energy: 0.6170458911503113
Energy: 0.7106896035781748
Energy: 0.715963714549216
Energy: 0.7106896035772005
Energy: 0.715963714549216
Energy: 0.7106896035772005
Energy: 0.715963714549216
Energy: 0.562724542695142
Energy: 0.550159130254272
Energy: 0.5627245426941677
Energy: 0.5501591302532977
Energy: 0.5627245426922189
Energy: 0.5501591302523232
Energy: 0.6178314718356046
Energy: 0.6812009222869473
Energy: 0.617831471836579
Energy: 0.6812009222859731
Energy: 0.6178314718346303
Energy: 0.6812009222869473
Energy: 0.7102016456356757
Energy: 0.5510641761159144
Energy: 0.7102016456356757
Energy: 0.5510641761159144
Energy: 0.7102016456356757
Energy: 0.5510641761159144
Energy: 0.5503070221375583
Energy: 0.562865397487282
Energy: 0.550307022136584
Energy: 0.562865397487282
Energy: 0.550307022136584
Energy: 0.562865397487282
Energy: 0.7101141099044954
Energy: 0.5511008849565996
Energy: 0.7101141099035212
Energy: 0.5511008849565996
Energy: 0.7101141099035212
Energy: 0.5511008849565996
Energy: 0.6178657045435139
Energy: 0.6811441180019091
Energy: 0.6178657045435139
Energy: 0.6811441180009348
Energy: 0.6178657045435139
Energy: 0.6811441179999603
Energy: 0.5627284510135023
Energy: 0.5501954640036393
Energy: 0.5627284510115536
Energy: 0.5501954640065623
Energy: 0.5627284510115536
Energy: 0.5501954640065623
Energy: 0.7106033247870994
Energy: 0.7160207017874034
Energy: 0.7106033247861251
Energy: 0.7160207017874034
Energy: 0.7106033247870994
Energy: 0.7160207017874034
Energy: 0.5503991550727445
Energy: 0.6171399356465733
Energy: 0.5503991550727445
Energy: 0.6171399356475477
Energy: 0.550399155073719
Energy: 0.6171399356475477
Energy: 0.5505227753283398
Energy: 0.6170458911503113
Energy: 0.5505227753283398
Energy: 0.6170458911503113
Energy: 0.550522775326391
Energy: 0.6170458911512856
Energy: 0.7106896035781748
Energy: 0.715963714549216
Energy: 0.7106896035772005
Energy: 0.715963714549216
Energy: 0.7106896035781748
Energy: 0.715963714549216

minimum gb energy = 0.5501591302523232 eV
minimum distance =  2.40637267063359 Angstroms
sigma value = 11


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

Energy: 1.1092090285064466
Energy: 1.0890675640654215
Energy: 1.1092090285064466
Energy: 1.0890675640654215
Energy: 1.1092090285064466
Energy: 1.0890675640661354
Energy: 1.2005719442425102
Energy: 1.1168680617686215
Energy: 1.2005719442425102
Energy: 1.1168680617693352
Energy: 1.2005719442425102
Energy: 1.1168680617686215
Energy: 1.1525629778677104
Energy: 1.5799381736839322
Energy: 1.152562977868424
Energy: 1.5799381736860736
Energy: 1.1525629778677104
Energy: 1.5799381736853597
Energy: 1.2126311101478866
Energy: 0.9424218807324984
Energy: 1.2126311101478866
Energy: 0.9424218807324984
Energy: 1.212631110152883
Energy: 0.9424218807324984
Energy: 1.0582793822067342
Energy: 0.9036242270047425
Energy: 1.0582793822067342
Energy: 0.9036242270040288
Energy: 1.0582793822067342
Energy: 0.9036242270040288
Energy: 1.0806630371636934
Energy: 1.1970825507850946
Energy: 1.080663037164407
Energy: 1.1970825507850946
Energy: 1.0806630371651207
Energy: 1.1970825507850946
Energy: 0.8986304948817182
Energy: 1.2827065324862268
Energy: 0.8986304948824319
Energy: 1.2827065324862268
Energy: 0.8986304948824319
Energy: 1.2827065324862268
Energy: 1.1169962547551735
Energy: 0.8688062792170677
Energy: 1.1169962547544598
Energy: 0.8688062792177813
Energy: 1.1169962547544598
Energy: 0.8688062792170677
Energy: 1.1135789105805105
Energy: 0.8727645628901737
Energy: 1.113578910581938
Energy: 0.8727645628901737
Energy: 1.113578910581938
Energy: 0.8727645628901737
Energy: 0.8889746857067522
Energy: 1.3597035731188853
Energy: 0.8889746857067522
Energy: 1.359703573117458
Energy: 0.8889746857060383
Energy: 1.3597035731181717
Energy: 1.093935713011048
Energy: 1.3707083753902207
Energy: 1.0939357130117622
Energy: 1.3707083753902207
Energy: 1.093935713011048
Energy: 1.3707083753902207
Energy: 1.0606545884088492
Energy: 0.9042100221672982
Energy: 1.0606545884088492
Energy: 0.9042100221672982
Energy: 1.0606545884088492
Energy: 0.904210022168012
Energy: 1.1515764847710135
Energy: 0.9486454298531923
Energy: 1.1515764847717271
Energy: 0.9486454298531923
Energy: 1.1515764847710135
Energy: 0.9486454298539061
Energy: 1.2126031140836924
Energy: 1.5490461619613636
Energy: 1.2126031140836924
Energy: 1.5490461619613636
Energy: 1.2126031140836924
Energy: 1.5490461619613636
Energy: 1.1990101477206594
Energy: 1.113251709694342
Energy: 1.1990101477213733
Energy: 1.113251709694342
Energy: 1.1990101477199457
Energy: 1.113251709694342
Energy: 1.1098690191030944
Energy: 1.1271579436419292
Energy: 1.109869019103808
Energy: 1.127157943642643
Energy: 1.109869019103808
Energy: 1.1271579436419292
Energy: 1.0299800211023684
Energy: 1.0550053825261057
Energy: 1.0299800211016548
Energy: 1.0550053825261057
Energy: 1.0299800211016548
Energy: 1.0550053825261057
Energy: 1.3948564781659716
Energy: 1.5401200135575213
Energy: 1.3948564781659716
Energy: 1.540120013558235
Energy: 1.3948564781659716
Energy: 1.5401200135618036
Energy: 1.2984840465803242
Energy: 0.938546874928984
Energy: 1.298484046581038
Energy: 0.9385468749275566
Energy: 1.2984840465803242
Energy: 0.9385468749282703
Energy: 1.060384057142456
Energy: 1.033398424142478
Energy: 1.060384057142456
Energy: 1.033398424142478
Energy: 1.060384057142456
Energy: 1.033398424142478
Energy: 0.8902643611349222
Energy: 1.1802671172120969
Energy: 0.8902643611362849
Energy: 1.1802671172120969
Energy: 0.8902643611362849
Energy: 1.1802671172120969
Energy: 1.1754234747153676
Energy: 1.2826372626413176
Energy: 1.1754234747125127
Energy: 1.2826372626413176
Energy: 1.17542347471394
Energy: 1.2826372626406042
Energy: 1.2325210778697135
Energy: 1.051224552063313
Energy: 1.2325210778704274
Energy: 1.0512245520625993
Energy: 1.2325210778697135
Energy: 1.051224552063313
Energy: 1.1153161793837336
Energy: 0.9778736046995484
Energy: 1.1153161793844473
Energy: 0.9778736046995484
Energy: 1.1153161793837336
Energy: 0.9778736047002622
Energy: 0.8903042328698508
Energy: 1.3558167042321774
Energy: 0.8903042328691372
Energy: 1.3558167042314635
Energy: 0.8903042328684234
Energy: 1.3558167042314635
Energy: 1.6287927117027496
Energy: 1.1778096129937894
Energy: 1.6287927117020358
Energy: 1.177809612992362
Energy: 1.6287927117027496
Energy: 1.1778096129945035

minimum gb energy = 0.8688062792170677 eV
minimum distance =  2.29198153841314 Angstroms
sigma value = 41


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

Energy: 1.2538197956607369
Energy: 1.0498664137634754
Energy: 1.2538197956612993
Energy: 1.0498664137640379
Energy: 1.2538197956612993
Energy: 1.0498664137640379
Energy: 1.2374913132792067
Energy: 1.2831596136841859
Energy: 1.237491313279769
Energy: 1.2831596136841859
Energy: 1.237491313279769
Energy: 1.2831596136836232
Energy: 1.5364128702808797
Energy: 1.4604977500676226
Energy: 1.5364128702814424
Energy: 1.460497750068185
Energy: 1.5364128702808797
Energy: 1.460497750068185
Energy: 1.1670866645250895
Energy: 0.9850159892403492
Energy: 1.1670866645256517
Energy: 0.9850159892403492
Energy: 1.1670866645256517
Energy: 0.9850159892403492
Energy: 0.9635811880807497
Energy: 1.0422833650954957
Energy: 0.9635811880807497
Energy: 1.0422833650954957
Energy: 0.9635811880807497
Energy: 1.0422833650954957
Energy: 1.2242641774743208
Energy: 1.45693179319561
Energy: 1.2242641774743208
Energy: 1.4569317931961727
Energy: 1.2242641774743208
Energy: 1.4569317931961727
Energy: 0.986256668042795
Energy: 1.3727377052129885
Energy: 0.986256668042795
Energy: 1.3727377052129885
Energy: 0.9862566680433574
Energy: 1.372737705213551
Energy: 0.9639307184141422
Energy: 0.9859451996523666
Energy: 0.9639307184141422
Energy: 0.9859451996529293
Energy: 0.9639307184141422
Energy: 0.9859451996529293
Energy: 0.9779440583695989
Energy: 1.0245114324086482
Energy: 0.9779440583690362
Energy: 1.0245114324086482
Energy: 0.9779440583690362
Energy: 1.0245114324092106
Energy: 1.0531119317706865
Energy: 1.4832878235744542
Energy: 1.0531119317706865
Energy: 1.4832878235744542
Energy: 1.0531119317706865
Energy: 1.4832878235744542
Energy: 1.0535449144765492
Energy: 1.159056201562571
Energy: 1.0535449144765492
Energy: 1.1590562015631336
Energy: 1.0535449144765492
Energy: 1.159056201562571
Energy: 0.9516555237737082
Energy: 1.1632744080075674
Energy: 0.9516555237737082
Energy: 1.1632744080075674
Energy: 0.9516555237731457
Energy: 1.1632744080075674
Energy: 0.9640863711612481
Energy: 1.0237616323171252
Energy: 0.9640863711595604
Energy: 1.023761632317688
Energy: 0.9640863711612481
Energy: 1.023761632317688
Energy: 0.9284942370515791
Energy: 1.3859521436529416
Energy: 0.9284942370515791
Energy: 1.385952143652379
Energy: 0.9284942370515791
Energy: 1.3859521436535038
Energy: 1.2217387779801163
Energy: 1.4616903914034043
Energy: 1.2217387779795539
Energy: 1.4616903914028418
Energy: 1.2217387779795539
Energy: 1.4616903914028418
Energy: 0.9262338506906183
Energy: 1.170140389134154
Energy: 0.9262338506900557
Energy: 1.170140389134154
Energy: 0.9262338506900557
Energy: 1.170140389134154
Energy: 0.9728860546265224
Energy: 1.023209748185384
Energy: 0.9728860546270848
Energy: 1.023209748185384
Energy: 0.9728860546265224
Energy: 1.023209748185384
Energy: 1.2149033956742372
Energy: 1.7720442941353842
Energy: 1.2149033956742372
Energy: 1.7720442941348216
Energy: 1.2149033956742372
Energy: 1.7720442941353842
Energy: 1.237150009645282
Energy: 1.276414409710864
Energy: 1.237150009645282
Energy: 1.276414409710864
Energy: 1.237150009645282
Energy: 1.276414409710864
Energy: 1.0528251716430708
Energy: 1.3032238526359654
Energy: 1.0528251716430708
Energy: 1.3032238526359654
Energy: 1.0528251716441448
Energy: 1.3032238526354027
Energy: 0.9803449223548029
Energy: 1.2369263573241902
Energy: 0.9803449223548029
Energy: 1.2369263573241902
Energy: 0.9803449223542404
Energy: 1.2369263573241902
Energy: 1.1173589842022098
Energy: 1.6084111021456222
Energy: 1.1173589842022098
Energy: 1.6084111021450598
Energy: 1.1173589842027722
Energy: 1.6084111021456222
Energy: 1.1314936090542627
Energy: 0.9867936422045988
Energy: 1.1314936090542627
Energy: 0.9867936422045988
Energy: 1.1314936090542627
Energy: 0.9867936422045988
Energy: 0.9737877077226557
Energy: 1.2915343947873563
Energy: 0.9737877077232182
Energy: 1.2915343947873563
Energy: 0.9737877077237809
Energy: 1.2915343947873563
Energy: 0.934936782290165
Energy: 1.292871652206256
Energy: 0.934936782290165
Energy: 1.2928716522056931
Energy: 0.9349367822896024
Energy: 1.292871652206256
Energy: 0.9862150154080989
Energy: 0.9869990139233107
Energy: 0.9862150154069739
Energy: 0.9869990139233107
Energy: 0.9862150154075364
Energy: 0.9869990139233107
Energy: 0.9700973903718366
Energy: 0.9853777008700109
Energy: 0.9700973903718366
Energy: 0.9853777008700109
Energy: 0.9700973903723992
Energy: 0.9853777008694483
Energy: 0.975511312061453
Energy: 1.235408238690677
Energy: 0.975511312061453
Energy: 1.235408238690677
Energy: 0.9755113120608904
Energy: 1.235408238690677
Energy: 1.0532529148183705
Energy: 1.2980125668450557
Energy: 1.0532529148183705
Energy: 1.2980125668456182
Energy: 1.053252914818933
Energy: 1.2980125668456182
Energy: 1.4522725872787843
Energy: 0.9273953192968543
Energy: 1.4522725872793467
Energy: 0.9273953192962917
Energy: 1.4522725872787843
Energy: 0.9273953192968543
Energy: 0.9538763146000615
Energy: 1.161167201535257
Energy: 0.9538763146000615
Energy: 1.161167201535257
Energy: 0.9538763146000615
Energy: 1.161167201535257
Energy: 0.9941867367160153
Energy: 1.0149952042154249
Energy: 0.9941867367160153
Energy: 1.0149952042154249
Energy: 0.9941867367160153
Energy: 1.0149952042154249
Energy: 0.9343542144151151
Energy: 1.1683950507135261
Energy: 0.9343542144151151
Energy: 1.1683950507129637
Energy: 0.9343542144151151
Energy: 1.1683950507129637

minimum gb energy = 0.9262338506900557 eV
minimum distance =  2.3304123140132 Angstroms
sigma value = 33


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

Energy: 1.171608775789105
Energy: 1.0830508000815036
Energy: 1.1259596082471173
Energy: 1.0830508000811447
Energy: 1.171608775789105
Energy: 1.083050800080714
Energy: 1.1910997478746654
Energy: 1.0419099266955965
Energy: 1.191099747874235
Energy: 1.0419099266951657
Energy: 1.191099747871507
Energy: 1.0419099266951657
Energy: 1.672937409492155
Energy: 1.5565894920657606
Energy: 1.672937409492155
Energy: 1.5565894920654015
Energy: 1.6729374094925138
Energy: 1.5565894920661911
Energy: 1.4232118584513527
Energy: 1.056859693773786
Energy: 1.4232118584517834
Energy: 1.0568596937734271
Energy: 1.4232118584521423
Energy: 1.056859693773786
Energy: 1.0934515765608326
Energy: 1.0544458096343714
Energy: 1.0934894990988107
Energy: 1.0544458096335818
Energy: 1.0934515765604738
Energy: 1.0544458096355915
Energy: 1.3694191065572998
Energy: 1.0392223016733841
Energy: 1.3694191065577304
Energy: 1.039222301673815
Energy: 1.3694191065577304
Energy: 1.039222301673815
Energy: 1.083620694302987
Energy: 1.3103102157878044
Energy: 1.083620694302987
Energy: 1.3103102157858664
Energy: 1.083620694302987
Energy: 1.3103102157854354
Energy: 1.1739540279032696
Energy: 1.1010292263827555
Energy: 1.1739540279024803
Energy: 1.1010292263823247
Energy: 1.1739540279037004
Energy: 1.1010292263823247
Energy: 1.0902533177628368
Energy: 1.1050048723568056
Energy: 1.090247962025216
Energy: 1.1050048723568056
Energy: 1.0902533177635545
Energy: 1.1050048723568056
Energy: 1.4232170007844644
Energy: 1.0603993943719319
Energy: 1.4232170007848952
Energy: 1.0603993943715728
Energy: 1.4232170007848952
Energy: 1.0603993943719319
Energy: 1.1382043337629637
Energy: 1.3849447459669255
Energy: 1.1382043337629637
Energy: 1.3849447459653461
Energy: 1.1382043337633942
Energy: 1.3849447459657769
Energy: 1.6619884852475368
Energy: 1.056712579535769
Energy: 1.661988485247178
Energy: 1.0567125795361998
Energy: 1.661988485247178
Energy: 1.0567125795354102
Energy: 1.0579119765404534
Energy: 1.0946768754402452
Energy: 1.0579119765404534
Energy: 1.0946768754406757
Energy: 1.0579119765404534
Energy: 1.0946768754394556
Energy: 1.1160681852743672
Energy: 1.1330537202591242
Energy: 1.1160681852743672
Energy: 1.1330537202586932
Energy: 1.1160681852743672
Energy: 1.1330537202591242
Energy: 1.1020643051226278
Energy: 1.032095533557137
Energy: 1.1020643051230583
Energy: 1.032095533557137
Energy: 1.1020643051230583
Energy: 1.0320955335574962
Energy: 1.0926084647540382
Energy: 1.359981745879753
Energy: 1.0926084647548278
Energy: 1.3599817458801118
Energy: 1.0926084647544692
Energy: 1.3599817458805425
Energy: 1.552076852779355
Energy: 1.0795222679492813
Energy: 1.5520768527797857
Energy: 1.079522267950071
Energy: 1.5520768527797857
Energy: 1.0795222679497123
Energy: 1.0548390191191341
Energy: 1.1036670434607196
Energy: 1.0548446574982802
Energy: 1.103667043459571
Energy: 1.0548390191187753
Energy: 1.1036670434611502
Energy: 1.4086259245839465
Energy: 1.4195168488321328
Energy: 1.4086259245835875
Energy: 1.4195168488313432
Energy: 1.4086259245839465
Energy: 1.4195168488317023
Energy: 1.3503807550835494
Energy: 1.0730668325989723
Energy: 1.350380755082329
Energy: 1.0730668325993313
Energy: 1.3503807550827598
Energy: 1.0730668325985417
Energy: 1.046854323147644
Energy: 1.1270212770234498
Energy: 1.046854323147644
Energy: 1.1270212770226602
Energy: 1.0468543231472132
Energy: 1.127021277023091
Energy: 1.0323637988454384
Energy: 1.191526945993309
Energy: 1.0323624409858054
Energy: 1.1915269459925197
Energy: 1.0323637988450796
Energy: 1.1915269459936684
Energy: 1.4921986706123633
Energy: 1.3528353936761313
Energy: 1.4921986706127222
Energy: 1.3528353936753417
Energy: 1.4921986706123633
Energy: 1.3528353936761313
Energy: 1.0610986416858523
Energy: 1.1425514331020774
Energy: 1.0610986416858523
Energy: 1.142551433102867
Energy: 1.0610986416858523
Energy: 1.1425514331036566
Energy: 1.0545175756495109
Energy: 1.0791218375934528
Energy: 1.0545175756503005
Energy: 1.0791218375934528
Energy: 1.0545175756495109
Energy: 1.0791218375938836
Energy: 1.0335238760846208
Energy: 1.3686396341479714
Energy: 1.0335238760849796
Energy: 1.368639634148761
Energy: 1.0335238760846208
Energy: 1.3686396341483302
Energy: 1.1396779158261074
Energy: 1.08631646329193
Energy: 1.1396779158276866
Energy: 1.08631646329193
Energy: 1.1396779158261074
Energy: 1.0863164632923608
Energy: 1.1690944570029984
Energy: 1.0540045120734078
Energy: 1.1191763264334789
Energy: 1.0540045120745565
Energy: 1.1690944570029984
Energy: 1.0540045120745565
Energy: 1.106022765306237
Energy: 1.0926244041523472
Energy: 1.1060227653058061
Energy: 1.0926244041535673
Energy: 1.1060227653065957
Energy: 1.0926244042585125
Energy: 1.0571841396578725
Energy: 1.4217905021063524
Energy: 1.0571841396583033
Energy: 1.4217905021059218
Energy: 1.0571841396583033
Energy: 1.421790502107501
Energy: 1.0505799597610697
Energy: 1.0504272351202852
Energy: 1.05057995976229
Energy: 1.0504272351202852
Energy: 1.0505799597602798
Energy: 1.0504272351202852
Energy: 1.0616270968501662
Energy: 1.658885874286393
Energy: 1.0613347596377234
Energy: 1.658885874286393
Energy: 1.0616270968505968
Energy: 1.658885874286393
Energy: 1.6244863880872684
Energy: 1.078059318951703
Energy: 1.6244863880872684
Energy: 1.0780593189524925
Energy: 1.6244863880880582
Energy: 1.078059318951703
Energy: 1.1289587560010241
Energy: 1.1101759740132067
Energy: 1.1289587560010241
Energy: 1.1101759740135657
Energy: 1.1289587560010241
Energy: 1.1101759740139963
Energy: 1.0876074830287912
Energy: 1.1097989741951473
Energy: 1.0876074830287912
Energy: 1.1097989741951473
Energy: 1.0876074830287912
Energy: 1.1097989741955778
Energy: 1.3446090583326613
Energy: 1.11743070160981
Energy: 1.344390858305524
Energy: 1.1174307016105995
Energy: 1.3446090583330916
Energy: 1.1174307016102405
Energy: 1.0611295203083253
Energy: 1.606952076378751
Energy: 1.0611295203087556
Energy: 1.606952076378751
Energy: 1.0611295203087556
Energy: 1.6069520763783203
Energy: 1.102658547959124
Energy: 1.050104524257349
Energy: 1.1026585479599136
Energy: 1.0501045242569902
Energy: 1.102658547959124
Energy: 1.050104524257349
Energy: 1.1037268280953665
Energy: 1.4079107802907724
Energy: 1.1037248970980835
Energy: 1.4079107802911315
Energy: 1.1037268280953665
Energy: 1.4079107802907724
Energy: 1.0564140231827104
Energy: 1.3521328752810957
Energy: 1.056414023183069
Energy: 1.352132875280665
Energy: 1.0564140231827104
Energy: 1.3521328752814545
Energy: 1.1193272850275076
Energy: 1.0548587617842322
Energy: 1.119327285027077
Energy: 1.0548587617842322
Energy: 1.119327285027077
Energy: 1.0548587617842322
Energy: 1.191315833259597
Energy: 1.0355594093169622
Energy: 1.1913158332611762
Energy: 1.0355594093169622
Energy: 1.1913158332627554
Energy: 1.0355594093169622
Energy: 1.0819227796713722
Energy: 1.3560297422458785
Energy: 1.081922779671731
Energy: 1.3560297422458785
Energy: 1.0819227796756792
Energy: 1.3560297422463095
Energy: 1.0036989907572307
Energy: 1.0829375629428226
Energy: 1.0036989907568
Energy: 1.0829375629423916
Energy: 1.0036989907575895
Energy: 1.0829375629423916
Energy: 1.0611771993366657
Energy: 1.1045894660170483
Energy: 1.0611782887550423
Energy: 1.1045894660178381
Energy: 1.0611771993362347
Energy: 1.1045894660186277
Energy: 1.4099313227897123
Energy: 1.2342591829385043
Energy: 1.4099313227869128
Energy: 1.2342591829380738
Energy: 1.4099313227889227
Energy: 1.2342591829377147
Energy: 1.0327486941122748
Energy: 1.1385996847609399
Energy: 1.0327486941130644
Energy: 1.1385996847590016
Energy: 1.0327486941122748
Energy: 1.1385996847605808

minimum gb energy = 1.0036989907568 eV
minimum distance =  2.32383798189042 Angstroms
sigma value = 67


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

Energy: 1.0992755741525828
Energy: 1.0204672822177756
Energy: 1.0992755741525828
Energy: 1.0204672822177756
Energy: 1.0992755741525828
Energy: 1.0204672822177756
Energy: 1.0678761340971088
Energy: 0.9920448045595084
Energy: 1.0678761340971088
Energy: 0.9920448045595084
Energy: 1.0678761340971088
Energy: 0.9920448045595084
Energy: 1.0413446364015777
Energy: 1.2859639610714575
Energy: 1.0413446364015777
Energy: 1.2859639610714575
Energy: 1.0413446364015777
Energy: 1.2859639610714575
Energy: 1.0678891511863278
Energy: 0.99205572846078
Energy: 1.0678891511863278
Energy: 0.99205572846078
Energy: 1.0678891511863278
Energy: 0.99205572846078
Energy: 1.0992755741525828
Energy: 1.0204672822177756
Energy: 1.0992755741525828
Energy: 1.0204672822177756
Energy: 1.0992755741525828
Energy: 1.0204672822177756
Energy: 1.0678761340971088
Energy: 0.9920448045595084
Energy: 1.0678761340971088
Energy: 0.9920448045595084
Energy: 1.0678761340971088
Energy: 0.9920448045595084
Energy: 1.0413446364015777
Energy: 1.2859639610714575
Energy: 1.0413446364015777
Energy: 1.2859639610714575
Energy: 1.0413446364015777
Energy: 1.2859639610714575

minimum gb energy = 0.9920448045595084 eV
minimum distance =  2.31967193156845 Angstroms
sigma value = 3


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

Energy: 1.5913747115353267
Energy: 1.1546250417219523
Energy: 1.5913747115353267
Energy: 1.1546250417219523
Energy: 1.5913747115353267
Energy: 1.1546250417219523
Energy: 1.1802594537599427
Energy: 1.0834142427208158
Energy: 1.1802594537599427
Energy: 1.0834142427208158
Energy: 1.1802594537599427
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Energy: 1.2335888895086355
Energy: 1.4211334263539965
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Energy: 1.2837938073475055
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Energy: 1.1109334339914745
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Energy: 1.1109334339914745
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Energy: 1.4196773982649988
Energy: 1.1116989118455316
Energy: 1.4196773982685895
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Energy: 1.179415837308401
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Energy: 1.3265236620307224
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Energy: 1.3265236620019971
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Energy: 1.3265236620307224
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Energy: 1.1626155590000882
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Energy: 1.1626155590000882
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Energy: 1.272398702292904
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Energy: 1.272398702292904
Energy: 1.178697389845736
Energy: 1.1226347215308394
Energy: 1.2960204404768196
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Energy: 1.4783963466365506
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Energy: 1.0841151065161192
Energy: 1.3476677233478478
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Energy: 1.3476677233478478
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Energy: 1.3476677233478478
Energy: 1.27646450014285
Energy: 1.1808392511067978
Energy: 1.27646450014285
Energy: 1.1808392511067978
Energy: 1.27646450014285
Energy: 1.1808392511067978
Energy: 1.1068218995061059
Energy: 1.3465722021559892
Energy: 1.1068218995061059
Energy: 1.3465722021559892
Energy: 1.1068218995061059
Energy: 1.3465722021559892
Energy: 1.5635229307077199
Energy: 1.0784503191707742
Energy: 1.5635229307077199
Energy: 1.0784503191707742
Energy: 1.5635229307077199
Energy: 1.0784503191707742
Energy: 1.1656395421666255
Energy: 1.4508341862759948
Energy: 1.1656395421666255
Energy: 1.4508341862759948
Energy: 1.1656395421666255
Energy: 1.4508341862759948
Energy: 1.3106687438432043
Energy: 1.08472697884413
Energy: 1.3106687438432043
Energy: 1.08472697884413
Energy: 1.310668743846795
Energy: 1.08472697884413
Energy: 1.215933675983159
Energy: 1.16223358262381
Energy: 1.215933675983159
Energy: 1.16223358262381
Energy: 1.215933675983159
Energy: 1.16223358262381
Energy: 1.3480400644664574
Energy: 1.0916130181994241
Energy: 1.3480400644664574
Energy: 1.0916130181994241
Energy: 1.3480400644664574
Energy: 1.0916130181994241
Energy: 1.2358957590568362
Energy: 1.3017459846983008
Energy: 1.2358957590568362
Energy: 1.3017459847018915
Energy: 1.2358957590568362
Energy: 1.3017459847018915
Energy: 1.2258674537297458
Energy: 1.1674190167671727
Energy: 1.2258674537297458
Energy: 1.1674190167671727
Energy: 1.2258674537297458
Energy: 1.1674190167671727
Energy: 1.1066355283850486
Energy: 1.232322220306419
Energy: 1.1066355283850486
Energy: 1.232322220306419
Energy: 1.1066355283850486
Energy: 1.232322220306419
Energy: 1.1842251345922252
Energy: 1.186296317011363
Energy: 1.1842251345994066
Energy: 1.186296317011363
Energy: 1.1842251345922252
Energy: 1.186296317011363
Energy: 1.1656801587256134
Energy: 1.1767183203460803
Energy: 1.1656801587256134
Energy: 1.1767183203353082
Energy: 1.165680158722023
Energy: 1.1767183203460803

minimum gb energy = 1.0730764956565337 eV
minimum distance =  2.28405228730675 Angstroms
sigma value = 81


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

Energy: 1.5988557705936715
Energy: 1.2386155282135913
Energy: 1.43556465356595
Energy: 1.238615528214084
Energy: 1.5988557705936715
Energy: 1.2386155282135913
Energy: 1.2352425269615486
Energy: 1.2503661812237825
Energy: 1.2352425269615486
Energy: 1.4000006739521123
Energy: 1.2352425269620413
Energy: 1.2503661812242752
Energy: 1.162795271770213
Energy: 1.046758470243474
Energy: 1.3135291252181496
Energy: 1.0467584702439667
Energy: 1.1627952717721841
Energy: 1.0467584702444597
Energy: 1.1222572829881579
Energy: 1.2789283830793567
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Energy: 1.2789283830798495
Energy: 1.1222572829881579
Energy: 1.2789283830778782
Energy: 1.2765664587624383
Energy: 1.2006888682980883
Energy: 1.276566458760467
Energy: 1.2006888682975954
Energy: 1.2765664587614527
Energy: 1.2006888682975954
Energy: 1.1778388068825447
Energy: 1.168971381884507
Energy: 1.1778388068825447
Energy: 1.0419828124417785
Energy: 1.1778388068825447
Energy: 1.1689713818840142
Energy: 1.0151075604973796
Energy: 1.2118778756785296
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Energy: 1.048148889650723
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Energy: 1.1730081429319457
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Energy: 1.1727375584459234
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Energy: 1.5251927377586934
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Energy: 1.2331054007244233
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Energy: 1.0418637495962415
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Energy: 1.1692478182244683
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Energy: 1.0418637495962415
Energy: 1.271452079647359
Energy: 1.2367606341339243
Energy: 1.367142281493758
Energy: 1.2367606341339243
Energy: 1.3667761783779924
Energy: 1.2367606341339243
Energy: 1.367142281493758
Energy: 1.2702309513340597
Energy: 1.175634682936125
Energy: 1.2702309513345527
Energy: 1.1756346829366178
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Energy: 1.1756346829371107
Energy: 1.3000868866788642
Energy: 1.1272940395228321
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Energy: 1.3000868866783712
Energy: 1.1272940395228321
Energy: 1.172787716960096
Energy: 1.123455609866722
Energy: 1.172787716960096
Energy: 1.1234556098672148
Energy: 1.172787716960096
Energy: 1.1234556098672148
Energy: 1.373841593923972
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Energy: 1.1692642850646948
Energy: 1.373841593923972
Energy: 1.042330152275006
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Energy: 1.1954563584576134
Energy: 1.3182019797894229
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Energy: 1.2786437287652643
Energy: 1.369081240379238
Energy: 1.2786437287637857
Energy: 1.369081240379238
Energy: 1.2786437287637857
Energy: 1.369081240379238
Energy: 1.1002903731773959
Energy: 1.1745575256588943
Energy: 1.1002903731773959
Energy: 1.174557525659387
Energy: 1.1002903731773959
Energy: 1.1745575256588943
Energy: 1.23267299256888
Energy: 1.2027355359727674
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Energy: 1.2027355359732603
Energy: 1.23267299256888
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Energy: 1.267712515454649
Energy: 1.0163291307182805
Energy: 1.0418196865593166
Energy: 1.0163291307187732
Energy: 1.267712515454649
Energy: 1.0163291307187732
Energy: 1.4141611106407515
Energy: 1.259103148762504
Energy: 1.4141611106397658
Energy: 1.2597566440898742
Energy: 1.4141611106412442
Energy: 1.2591031487620112
Energy: 1.2673581072354618
Energy: 1.3232228079185115
Energy: 1.2673581072359545
Energy: 1.3232228079219612
Energy: 1.2673581072359545
Energy: 1.3232228079194972
Energy: 1.3010640507341231
Energy: 1.586538719397485
Energy: 1.3010640507346158
Energy: 1.5865387193984706
Energy: 1.3010640507341231
Energy: 1.5865387193984706
Energy: 1.1954060560165793
Energy: 1.1205661825946547
Energy: 1.1954060560160866
Energy: 1.1205661826123512
Energy: 1.1954060560165793
Energy: 1.120566182596133
Energy: 1.2384501278234317
Energy: 1.3931597326174576
Energy: 1.2384501278239244
Energy: 1.0440190715880182
Energy: 1.2384501278239244
Energy: 1.3931597326174576
Energy: 1.173091915800193
Energy: 1.2359072726874067
Energy: 1.1726934116838705
Energy: 1.2359072726874067
Energy: 1.1730919157997002
Energy: 1.2359072726869138
Energy: 1.2163127629801764
Energy: 1.1298312965253625
Energy: 1.216312762978698
Energy: 1.13085250845408
Energy: 1.2163127629801764
Energy: 1.1298312965273338
Energy: 1.278446753377081
Energy: 1.3010125107285695
Energy: 1.278446753377081
Energy: 1.3010125107280766
Energy: 1.278446753377081
Energy: 1.3010125107285695
Energy: 1.2231437726003591
Energy: 1.2590968524648636
Energy: 1.2231437726003591
Energy: 1.2590968524648636
Energy: 1.2231437725998662
Energy: 1.2590968524643706
Energy: 1.0418541842664715
Energy: 1.3737783786385798
Energy: 1.1693553051496652
Energy: 1.3737783786385798
Energy: 1.0418541842664715
Energy: 1.3737783786385798
Energy: 1.042970188857364
Energy: 1.013342875742108
Energy: 1.1696230038208364
Energy: 1.013342875742108
Energy: 1.042970188856871
Energy: 1.013342875742108
Energy: 1.2941378413215474
Energy: 1.6869111760973983
Energy: 1.2948391678976732
Energy: 1.6869111760969053
Energy: 1.2941378413432312
Energy: 1.6869111760969053
Energy: 1.5450235885095687
Energy: 1.278363896415416
Energy: 1.5450235885095687
Energy: 1.2783638964164017
Energy: 1.5450235885095687
Energy: 1.2783638964164017
Energy: 1.1744360669760192
Energy: 1.0967794960098718
Energy: 1.1744360669760192
Energy: 1.0967794960103645
Energy: 1.1744360669755265
Energy: 1.096779496009379
Energy: 1.202820453170972
Energy: 1.0482857966861414
Energy: 1.202820453170972
Energy: 1.1694919248855502
Energy: 1.2028204531704794
Energy: 1.0482857966866341

minimum gb energy = 1.013342875742108 eV
minimum distance =  2.33843832998022 Angstroms
sigma value = 43


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

Energy: 1.628964470230373
Energy: 1.1733948018454154
Energy: 1.628964470230373
Energy: 1.1733948018454154
Energy: 1.628964470230373
Energy: 1.1733948018454154
Energy: 1.3105181329676288
Energy: 1.093791014160456
Energy: 1.3105181329664457
Energy: 1.0937910141610614
Energy: 1.3105181329676288
Energy: 1.0937910141610614
Energy: 1.1887092474358272
Energy: 1.3877024359139527
Energy: 1.1887092474358272
Energy: 1.3877024359139527
Energy: 1.2645157458939345
Energy: 1.3877024359133472
Energy: 1.2679028250039475
Energy: 1.1575702031547435
Energy: 1.267902825003342
Energy: 1.157570203155349
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Energy: 1.157570203155349
Energy: 1.2480733083128148
Energy: 1.2239952432889005
Energy: 1.24807330831342
Energy: 1.2239952432895058
Energy: 1.2480733083122093
Energy: 1.2239952432895058
Energy: 1.1391356083225717
Energy: 1.1699966995215674
Energy: 1.1391356083231772
Energy: 1.1699966995209619
Energy: 1.1391356083219666
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Energy: 1.3024414543585854
Energy: 1.374657754031211
Energy: 1.3024414543573746
Energy: 1.3746577540306057
Energy: 1.3024414543585854
Energy: 1.3746577540306057
Energy: 1.133871330992233
Energy: 1.2871142453666533
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Energy: 1.133871330992233
Energy: 1.2871142453666533
Energy: 1.3718298538907758
Energy: 1.0693943729044193
Energy: 1.3718298538919864
Energy: 1.0693943729038138
Energy: 1.3718298538913813
Energy: 1.0693943729044193
Energy: 1.1537896724760726
Energy: 1.36369213380966
Energy: 1.1537896724754673
Energy: 1.36369213380966
Energy: 1.1537896724754673
Energy: 1.3636921338102654
Energy: 1.328107560274048
Energy: 1.1092687886836414
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Energy: 1.1092687886818255
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Energy: 1.221165592875247
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Energy: 1.2211655928734308
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Energy: 1.2211655928740364
Energy: 1.2913757790330398
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Energy: 1.2913757790324343
Energy: 1.2172151546853414
Energy: 1.2913757790330398
Energy: 1.2172151546859467
Energy: 1.0719355095395167
Energy: 1.3678830001271716
Energy: 1.0719355095389111
Energy: 1.3678830001277769
Energy: 1.0719355095389111
Energy: 1.3678830001271716
Energy: 1.2383765837197114
Energy: 1.2191747956088257
Energy: 1.238376583720317
Energy: 1.2191747956088257
Energy: 1.238376583720317
Energy: 1.2191747956082206
Energy: 1.1777710482234929
Energy: 1.2718279263875758
Energy: 1.1777710482234929
Energy: 1.2718279263881813
Energy: 1.1777710482240982
Energy: 1.2718279263875758
Energy: 1.3030829623830573
Energy: 1.0938090264896962
Energy: 1.3030829623830573
Energy: 1.0938090264896962
Energy: 1.303082962382452
Energy: 1.0938090264896962
Energy: 1.323236063991532
Energy: 1.1626247236907816
Energy: 1.3232360639927427
Energy: 1.162624723691387
Energy: 1.3232360639909266
Energy: 1.1626247236907816
Energy: 1.3641291865032836
Energy: 1.1165937004805657
Energy: 1.3641291865032836
Energy: 1.1165937004805657
Energy: 1.3641291865038887
Energy: 1.1165937004811437
Energy: 1.3083529157939884
Energy: 1.0942460529520626
Energy: 1.3083529157939884
Energy: 1.0942460529520626
Energy: 1.3083529157939884
Energy: 1.0942460529520626
Energy: 1.1780852299021534
Energy: 1.2230804698680438
Energy: 1.1780852299027587
Energy: 1.2230804698674385
Energy: 1.178085229903364
Energy: 1.2230804698674385
Energy: 1.379587759165005
Energy: 1.2516342885698162
Energy: 1.379587759165005
Energy: 1.2516342885698162
Energy: 1.379587759165005
Energy: 1.2516342885698162
Energy: 1.0720174639182503
Energy: 1.3455196852718603
Energy: 1.0720174639182503
Energy: 1.3455196852718603
Energy: 1.0720174639182503
Energy: 1.3455196852718603
Energy: 1.2714158755787561
Energy: 1.5882293929362816
Energy: 1.2714158755775455
Energy: 1.5882293929362816
Energy: 1.2714158755787561
Energy: 1.5882293929362816
Energy: 1.1340560063813232
Energy: 1.142110879861031
Energy: 1.1340560063819287
Energy: 1.1421108798604258
Energy: 1.1340560063813232
Energy: 1.142110879861031
Energy: 1.3670814143120644
Energy: 1.267687515481356
Energy: 1.3670814143120644
Energy: 1.267687515481356
Energy: 1.3670814143120644
Energy: 1.2676875154807505
Energy: 1.2083670344284165
Energy: 1.247465727776149
Energy: 1.2083670344278112
Energy: 1.2474657277755437
Energy: 1.2083670344278112
Energy: 1.2474657277749384
Energy: 1.5319033146107646
Energy: 1.0697305552710439
Energy: 1.5319033146107646
Energy: 1.0697305552710439
Energy: 1.5319033146107646
Energy: 1.0697305552704388
Energy: 1.1339803973584661
Energy: 1.2884217498686807
Energy: 1.1339803973584661
Energy: 1.2884217498686807
Energy: 1.1339803973584661
Energy: 1.2884217498686807
Energy: 1.2268135715664017
Energy: 1.288504850926041
Energy: 1.226813571567007
Energy: 1.2885048509272516
Energy: 1.226813571567007
Energy: 1.2885048509272516
Energy: 1.2770650996215958
Energy: 1.1932613586495988
Energy: 1.277065099622201
Energy: 1.1932613586495988
Energy: 1.277065099622201
Energy: 1.1932613586489933

minimum gb energy = 1.0693943729038138 eV
minimum distance =  2.30022823820102 Angstroms
sigma value = 57


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

Energy: 1.5278338392670208
Energy: 1.1139383085300294
Energy: 1.527833839266237
Energy: 1.1139383085300294
Energy: 1.527833839266237
Energy: 1.1139383085300294
Energy: 1.1991016536068129
Energy: 1.0515483744640457
Energy: 1.1991016536060293
Energy: 1.0515483744648295
Energy: 1.1991016536060293
Energy: 1.0515483744648295
Energy: 1.2735391773228915
Energy: 1.3560617459619415
Energy: 1.2735391773221076
Energy: 1.3560617459619415
Energy: 1.2735391773228915
Energy: 1.3560617459619415
Energy: 1.591568967940995
Energy: 1.244583885200981
Energy: 1.591568967940995
Energy: 1.2445838852001971
Energy: 1.591568967940995
Energy: 1.2445838852001971
Energy: 1.6140702094202393
Energy: 1.2876239168250625
Energy: 1.6140702094202393
Energy: 1.2876239168242787
Energy: 1.6140702094202393
Energy: 1.2876239168250625
Energy: 1.2737199514342263
Energy: 1.1194762202145665
Energy: 1.2737199514350097
Energy: 1.1194762202137827
Energy: 1.2737199514350097
Energy: 1.1194762202145665
Energy: 1.2721588658975902
Energy: 1.3130220345242067
Energy: 1.2721588658960223
Energy: 1.3130220345242067
Energy: 1.2721588658960223
Energy: 1.3130220345242067
Energy: 1.364974914184034
Energy: 1.2574791194895094
Energy: 1.364974914184034
Energy: 1.2574791194887256
Energy: 1.364974914184034
Energy: 1.2574791194895094
Energy: 1.4436704264894413
Energy: 1.051370197009157
Energy: 1.4436704264894413
Energy: 1.051370197009157
Energy: 1.4436704264894413
Energy: 1.051370197009157
Energy: 1.0530120687068891
Energy: 1.202322977873084
Energy: 1.0530120687068891
Energy: 1.202322977873084
Energy: 1.0530120687068891
Energy: 1.2023229778723001
Energy: 1.2698344132003898
Energy: 1.246485435449981
Energy: 1.2698344132003898
Energy: 1.246485435449981
Energy: 1.2698344132003898
Energy: 1.246485435449981
Energy: 1.4620795133387323
Energy: 1.449118324118204
Energy: 1.4620795133379485
Energy: 1.449118324118204
Energy: 1.4620795133387323
Energy: 1.449118324118204
Energy: 1.250941884512062
Energy: 1.0514631734612572
Energy: 1.250941884512062
Energy: 1.0514631734612572
Energy: 1.250941884512062
Energy: 1.0514631734604734
Energy: 1.3765975280222162
Energy: 1.0610620782019202
Energy: 1.3765975280222162
Energy: 1.0610620782019202
Energy: 1.3765975280222162
Energy: 1.0610620782019202
Energy: 1.2585381250723922
Energy: 1.251861026660153
Energy: 1.2585381250723922
Energy: 1.251861026660153
Energy: 1.2585381250716083
Energy: 1.251861026660153
Energy: 1.2021741609673013
Energy: 1.4454404173448652
Energy: 1.2021741609673013
Energy: 1.4454404173448652
Energy: 1.202174160965734
Energy: 1.4454404173448652
Energy: 1.0620476001883028
Energy: 1.199930152840865
Energy: 1.0620476001883028
Energy: 1.199930152840865
Energy: 1.0620476001883028
Energy: 1.199930152840865
Energy: 1.266419380860374
Energy: 1.062727851673464
Energy: 1.266419380860374
Energy: 1.062727851673464
Energy: 1.266419380860374
Energy: 1.062727851673464
Energy: 1.06210650252674
Energy: 1.1998390838517132
Energy: 1.06210650252674
Energy: 1.1998390838517132
Energy: 1.0621065025259562
Energy: 1.199839083852497
Energy: 1.2020971279057042
Energy: 1.445475450674001
Energy: 1.2020971279041366
Energy: 1.445475450674001
Energy: 1.2020971279049204
Energy: 1.445475450674001
Energy: 1.2572562583077806
Energy: 1.2518786530510422
Energy: 1.2572562583077806
Energy: 1.2518786530510422
Energy: 1.2572562583085645
Energy: 1.2518786530510422
Energy: 1.3761192017574144
Energy: 1.2046268613119822
Energy: 1.3761192017574144
Energy: 1.2046268613119822
Energy: 1.3761192017574144
Energy: 1.2046268613127662
Energy: 1.252120036169296
Energy: 1.0525075467724152
Energy: 1.252120036169296
Energy: 1.0525075467724152
Energy: 1.252120036169296
Energy: 1.0525075467716312
Energy: 1.4618852522365329
Energy: 1.449038731256436
Energy: 1.4618852522365329
Energy: 1.4490387312556519
Energy: 1.4618852522365329
Energy: 1.4490387312556519

minimum gb energy = 1.051370197009157 eV
minimum distance =  2.25624256158428 Angstroms
sigma value = 17


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

Energy: 1.201441553756745
Energy: 1.0619578135111556
Energy: 1.201441553756745
Energy: 1.0619578135111556
Energy: 1.201441553756745
Energy: 1.061957813512264
Energy: 1.0184570043486953
Energy: 1.0020460555767279
Energy: 1.0184570043486953
Energy: 1.0020460555767279
Energy: 1.018457004347587
Energy: 1.0020460555767279
Energy: 1.168967730749711
Energy: 1.1771540646658007
Energy: 1.1689677307508197
Energy: 1.1771540646646923
Energy: 1.168967730749711
Energy: 1.1771540646646923
Energy: 0.9583577570367655
Energy: 1.2136006061229017
Energy: 0.9583577570367655
Energy: 1.2136006061217932
Energy: 0.958357757035657
Energy: 1.21360060612401
Energy: 1.2038350786286398
Energy: 1.166025189102044
Energy: 1.2038350786264227
Energy: 1.166025189102044
Energy: 1.2038350786275311
Energy: 1.1660251891009354
Energy: 1.1293241941936816
Energy: 1.1675087732961547
Energy: 1.1293241941936816
Energy: 1.1675087732961547
Energy: 1.1293241941936816
Energy: 1.1675087732961547
Energy: 1.1229442499787032
Energy: 1.0185613492061503
Energy: 1.1229442499775948
Energy: 1.0185613492072587
Energy: 1.1229442499787032
Energy: 1.0185613492061503
Energy: 0.9578741990626901
Energy: 1.1978187928186192
Energy: 0.9578741990626901
Energy: 1.1978187928175108
Energy: 0.9578741990626901
Energy: 1.1978187928175108
Energy: 1.181771312502151
Energy: 1.002166241597342
Energy: 1.181771312502151
Energy: 1.002166241597342
Energy: 1.181771312502151
Energy: 1.002166241597342
Energy: 1.0632711961423043
Energy: 1.0205808119585293
Energy: 1.0632711961423043
Energy: 1.0205808119585293
Energy: 1.0632711961423043
Energy: 1.0205808119596378
Energy: 1.0617646078208198
Energy: 1.209253825574329
Energy: 1.0617646078208198
Energy: 1.209253825574329
Energy: 1.0617646078208198
Energy: 1.209253825574329
Energy: 1.1683814270642563
Energy: 1.1405533971719595
Energy: 1.1683814270642563
Energy: 1.1405533971719595
Energy: 1.1683814270653647
Energy: 1.140553397170851
Energy: 0.958008671621458
Energy: 1.1649309566608554
Energy: 0.9580086716225663
Energy: 1.1649309566608554
Energy: 0.9580086716225663
Energy: 1.1649309566597468
Energy: 1.0800776115154376
Energy: 1.2082256244399576
Energy: 1.0800776115143291
Energy: 1.2082256244399576
Energy: 1.0800776115143291
Energy: 1.2082256244399576
Energy: 1.1285966895394557
Energy: 1.3896531600602091
Energy: 1.1285966895394557
Energy: 1.3896531600591004
Energy: 1.1285966895394557
Energy: 1.3896531600602091
Energy: 1.1271645780977222
Energy: 1.4078148189890813
Energy: 1.1271645780977222
Energy: 1.407814818987973
Energy: 1.1271645780977222
Energy: 1.407814818987973
Energy: 1.0777213261127163
Energy: 1.2338431408740644
Energy: 1.0777213261127163
Energy: 1.2338431408740644
Energy: 1.0777213261127163
Energy: 1.2338431408740644

minimum gb energy = 0.9578741990626901 eV
minimum distance =  2.29141558492776 Angstroms
sigma value = 17


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

Energy: 1.0760946582262405
Energy: 0.961555611672547
Energy: 1.0760946582262405
Energy: 0.9615556116721189
Energy: 1.0760946582266684
Energy: 0.9615556116716909
Energy: 1.1429886100327684
Energy: 1.0062064418507977
Energy: 1.1429886100327684
Energy: 1.0062064418507977
Energy: 1.1429886100327684
Energy: 1.0062064418512255
Energy: 1.0972253149109998
Energy: 1.026624897638771
Energy: 1.0972253149109998
Energy: 1.026624897637915
Energy: 1.0972253149114277
Energy: 1.026624897638771
Energy: 1.2659394059304143
Energy: 1.0505234565602808
Energy: 1.2659394059312705
Energy: 1.050523456560709
Energy: 1.2659394059308424
Energy: 1.050523456560709
Energy: 1.3941054921865952
Energy: 1.1572491094071014
Energy: 1.394105492187023
Energy: 1.1572491094066735
Energy: 1.394105492187023
Energy: 1.1572491094053894
Energy: 1.056172066368522
Energy: 0.9691746461810025
Energy: 1.0561720663680936
Energy: 0.9691746461810025
Energy: 1.0561720663680936
Energy: 0.9691746461810025
Energy: 1.128776353619615
Energy: 0.9990321959634737
Energy: 1.1287763536191868
Energy: 0.9990321959630457
Energy: 1.128776353620471
Energy: 0.9990321959634737
Energy: 1.2631597531250756
Energy: 1.2482673464638265
Energy: 1.2631597531255034
Energy: 1.2482673464638265
Energy: 1.2631597531250756
Energy: 1.2482673464638265
Energy: 1.0339382865796765
Energy: 1.0164276905648668
Energy: 1.0339382865788205
Energy: 1.0164276905652951
Energy: 1.0339382865788205
Energy: 1.016427690564439
Energy: 0.970578689079554
Energy: 0.8819142478319502
Energy: 0.97057868907827
Energy: 0.8819142478332342
Energy: 0.9705786890804101
Energy: 0.8819142478319502
Energy: 0.8910239266477931
Energy: 1.2253054413806603
Energy: 0.8910239266477931
Energy: 1.2253054413806603
Energy: 0.891023926646937
Energy: 1.2253054413802322
Energy: 1.1048259884320433
Energy: 0.937696334251948
Energy: 1.104825988431615
Energy: 0.937696334251948
Energy: 1.104825988431615
Energy: 0.9376963342515201
Energy: 1.165396408848416
Energy: 0.983735269498736
Energy: 1.165396408848416
Energy: 0.9837352695004482
Energy: 1.165396408848416
Energy: 0.9837352694991641
Energy: 0.9825165158881479
Energy: 1.0958396486268291
Energy: 0.9825165158877199
Energy: 1.0958396486268291
Energy: 0.9825165158860077
Energy: 1.0958396486268291
Energy: 1.0645785314205374
Energy: 1.29994648107603
Energy: 1.0645785314196816
Energy: 1.29994648107603
Energy: 1.0645785314209657
Energy: 1.29994648107603
Energy: 0.8917631958337277
Energy: 1.152918065603064
Energy: 0.8917631958337277
Energy: 1.152918065603064
Energy: 0.8917631958345837
Energy: 1.152918065602636
Energy: 0.9806133645006458
Energy: 1.047629435721408
Energy: 0.9806133645010738
Energy: 1.0476294357218359
Energy: 0.9806133645010738
Energy: 1.047629435721408
Energy: 1.0610204800135095
Energy: 1.2677491518733703
Energy: 1.0610204800135095
Energy: 1.2677491518737987
Energy: 1.0610204800139376
Energy: 1.2677491518742265
Energy: 1.0153032215532838
Energy: 1.4031489307574732
Energy: 1.0153032215532838
Energy: 1.4031489307570453
Energy: 1.0153032215528557
Energy: 1.4031489307579013
Energy: 0.9793364625381215
Energy: 0.9173110855348499
Energy: 0.9793364625381215
Energy: 0.9173110855348499
Energy: 0.9793364625385494
Energy: 0.9173110855344219
Energy: 1.0149674474123158
Energy: 1.403009841319561
Energy: 1.0149674474114596
Energy: 1.403009841319561
Energy: 1.014967447412744
Energy: 1.403009841319561
Energy: 1.0601170707265877
Energy: 1.2677152467919015
Energy: 1.0601170707270156
Energy: 1.2677152467914736
Energy: 1.0601170707265877
Energy: 1.2677152467914736
Energy: 0.9806501217832775
Energy: 1.047432766902064
Energy: 0.9806501217837056
Energy: 1.047432766902064
Energy: 0.9806501217837056
Energy: 1.047432766902064
Energy: 0.8920568785417772
Energy: 1.2502495573706456
Energy: 0.892056878540921
Energy: 1.2502495573706456
Energy: 0.8920568785422051
Energy: 1.2502495573706456
Energy: 1.0638758810379494
Energy: 1.2997339683639813
Energy: 1.0638758810366653
Energy: 1.2997339683639813
Energy: 1.0638758810366653
Energy: 1.2997339683644091
Energy: 0.9827376405907529
Energy: 1.0958155068104505
Energy: 0.9827376405903248
Energy: 1.0958155068100226
Energy: 0.9827376405907529
Energy: 1.0958155068104505
Energy: 1.1654055626166449
Energy: 0.9840308686221273
Energy: 1.165405562617929
Energy: 0.9840308686216994
Energy: 1.165405562617073
Energy: 0.9840308686225554
Energy: 1.1042405389293584
Energy: 1.2829235481771917
Energy: 1.1042405389293584
Energy: 1.2829235481767636
Energy: 1.1042405389289303
Energy: 1.2829235481771917
Energy: 0.890707682662919
Energy: 1.2253398341304151
Energy: 0.8907076826620629
Energy: 1.2253398341308432
Energy: 0.890707682662919
Energy: 1.2253398341304151
Energy: 0.9720080710438568
Energy: 0.8814937865496926
Energy: 0.9720080710438568
Energy: 0.8814937865505486
Energy: 0.9720080710438568
Energy: 0.8814937865496926
Energy: 1.2437065314585045
Energy: 1.0160398455750084
Energy: 1.2437065314585045
Energy: 1.0160398455754365
Energy: 1.2437065314580764
Energy: 1.0160398455758646
Energy: 1.2631391120003668
Energy: 1.2482119758502306
Energy: 1.2631391120003668
Energy: 1.2482119758502306
Energy: 1.2631391119999387
Energy: 1.248211975849803
Energy: 1.1282404040522451
Energy: 0.9991904704180675
Energy: 1.1282404040513891
Energy: 0.9991904704180675
Energy: 1.1282404040518168
Energy: 0.9991904704176396
Energy: 1.056187635600109
Energy: 0.9363423766692535
Energy: 1.056187635600109
Energy: 0.9363423766696815
Energy: 1.0561876356005369
Energy: 0.9363423766696815
Energy: 1.3941024275836598
Energy: 1.1572925706177153
Energy: 1.3941024275840879
Energy: 1.1572925706172876
Energy: 1.3941024275836598
Energy: 1.1572925706177153
Energy: 1.265758073507057
Energy: 1.2722977946187535
Energy: 1.265758073506629
Energy: 1.2722977946191814
Energy: 1.265758073507057
Energy: 1.2722977946196095
Energy: 1.0972438987378663
Energy: 1.0269755665369882
Energy: 1.0972438987391504
Energy: 1.02697556653442
Energy: 1.0972438987387225
Energy: 1.0269755665365603
Energy: 1.1430622650989977
Energy: 0.9347494690953956
Energy: 1.1430622650989977
Energy: 0.9347494690953956
Energy: 1.1430622650998536
Energy: 0.9347494690958237
Energy: 1.0760946582266684
Energy: 0.9615556116721189
Energy: 1.0760946582266684
Energy: 0.9615556116721189
Energy: 1.0760946582262405
Energy: 0.9615556116721189
Energy: 1.1429886100327684
Energy: 0.9299218700572157
Energy: 1.1429886100327684
Energy: 0.9299218700576437
Energy: 1.1429886100327684
Energy: 0.9299218700572157
Energy: 1.0972253149114277
Energy: 1.026624897637487
Energy: 1.0972253149118556
Energy: 1.026624897637915
Energy: 1.0972253149109998
Energy: 1.026624897637915
Energy: 1.2659394059304143
Energy: 1.0505234565602808
Energy: 1.2659394059304143
Energy: 1.0505234565602808
Energy: 1.2659394059304143
Energy: 1.050523456560709
Energy: 1.3941054921874514
Energy: 1.1572491094053894
Energy: 1.394105492187023
Energy: 1.1572491094053894
Energy: 1.394105492187023
Energy: 1.1572491094053894

minimum gb energy = 0.8814937865496926 eV
minimum distance =  2.2502060021852 Angstroms
sigma value = 57


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

Energy: 0.9832795123469062
Energy: 0.8827388373523904
Energy: 0.9832795123469062
Energy: 0.8827388373523904
Energy: 0.983279512347603
Energy: 0.8827388373523904
Energy: 1.028303823653564
Energy: 0.8673203801528182
Energy: 1.028303823653564
Energy: 0.8673203801521212
Energy: 1.0283038236542612
Energy: 0.8673203801528182
Energy: 1.0327584804944938
Energy: 0.9450772036656575
Energy: 1.0327584804944938
Energy: 0.9450772036663544
Energy: 1.0327584804930998
Energy: 0.9450772036663544
Energy: 1.1769547188642124
Energy: 0.98938532793888
Energy: 1.1769547188642124
Energy: 0.9893853279381831
Energy: 1.1769547188649092
Energy: 0.98938532793888
Energy: 1.2407261882834482
Energy: 0.8603614981298757
Energy: 1.2407261882834482
Energy: 0.8603614981298757
Energy: 1.2407261882834482
Energy: 0.8603614981298757
Energy: 1.0331413243591179
Energy: 0.8665824829337005
Energy: 1.0331413243591179
Energy: 0.8665824829330036
Energy: 1.0331413243584207
Energy: 0.8665824829330036
Energy: 1.1781000911676038
Energy: 0.9595001635882242
Energy: 1.178100091166907
Energy: 0.959500163588921
Energy: 1.178100091166907
Energy: 0.959500163588921
Energy: 1.1484707890543737
Energy: 1.1813859685175878
Energy: 1.1484707890543737
Energy: 1.1813859685175878
Energy: 1.148470789053677
Energy: 1.181385968518285
Energy: 0.903804519969555
Energy: 0.8694075635564681
Energy: 0.9038045199702518
Energy: 0.8694075635571649
Energy: 0.903804519969555
Energy: 0.8694075635564681
Energy: 1.0286531026771242
Energy: 0.9175313839109352
Energy: 1.0286531026771242
Energy: 0.9175313839109352
Energy: 1.0286531026771242
Energy: 0.9175313839102384
Energy: 1.150738767764547
Energy: 1.1537087963575927
Energy: 1.1507387677652439
Energy: 1.1537087963568957
Energy: 1.150738767764547
Energy: 1.1537087963568957
Energy: 0.9460934053952758
Energy: 1.1808276173453305
Energy: 0.9460934053952758
Energy: 1.1808276173460273
Energy: 0.9460934053952758
Energy: 1.1808276173453305
Energy: 1.0289931646669102
Energy: 1.030769623712361
Energy: 1.0289931646669102
Energy: 1.030769623712361
Energy: 1.0289931646669102
Energy: 1.030769623712361
Energy: 1.0290627588176458
Energy: 1.0597411522899691
Energy: 1.0290627588169485
Energy: 1.059741152289272
Energy: 1.0290627588169485
Energy: 1.059741152289272
Energy: 1.0100342427819031
Energy: 1.198193816214479
Energy: 1.0100342427819031
Energy: 1.198193816214479
Energy: 1.0100342427826
Energy: 1.198193816214479
Energy: 1.0582222331545263
Energy: 1.051594388222808
Energy: 1.0582222331538294
Energy: 1.051594388222808
Energy: 1.0582222331545263
Energy: 1.0515943882221108
Energy: 0.9057419578544971
Energy: 1.0269043818839974
Energy: 0.905741957855891
Energy: 1.0269043818839974
Energy: 0.9057419578544971
Energy: 1.0269043818839974
Energy: 1.1080983345750468
Energy: 1.2095092427442655
Energy: 1.1080983345750468
Energy: 1.2095092427435685
Energy: 1.10809833457435
Energy: 1.2095092427435685
Energy: 0.836980098147295
Energy: 1.0779981213586167
Energy: 0.836980098148689
Energy: 1.0779981213579197
Energy: 0.836980098147992
Energy: 1.0779981213586167
Energy: 1.0319037658273398
Energy: 0.9911288940170135
Energy: 1.0319037658273398
Energy: 0.9911288940177106
Energy: 1.0319037658280368
Energy: 0.9911288940177106
Energy: 0.9910163699522166
Energy: 1.1776174154286978
Energy: 0.9910163699508228
Energy: 1.1776174154286978
Energy: 0.9910163699522166
Energy: 1.1776174154286978
Energy: 0.826101152736255
Energy: 1.0817297566520407
Energy: 0.826101152734861
Energy: 1.0817297566513437
Energy: 0.8261011527341641
Energy: 1.0817297566513437
Energy: 0.9029701298676535
Energy: 0.9458649490962239
Energy: 0.9029701298676535
Energy: 0.9458649490962239
Energy: 0.9029701298683506
Energy: 0.945864949095527
Energy: 0.9296379898398693
Energy: 1.3104139489908688
Energy: 0.9296379898405662
Energy: 1.3104139489908688
Energy: 0.9296379898405662
Energy: 1.3104139489915658
Energy: 0.9353319393406437
Energy: 1.175552027840752
Energy: 0.9353319393406437
Energy: 1.175552027840752
Energy: 0.9353319393406437
Energy: 1.175552027840752
Energy: 0.8821519471674852
Energy: 0.9454834716362148
Energy: 0.8821519471681822
Energy: 0.9454834716362148
Energy: 0.8821519471667884
Energy: 0.9454834716362148
Energy: 0.8262888476934354
Energy: 1.0779458301647564
Energy: 0.8262888476934354
Energy: 1.0779458301647564
Energy: 0.8262888476927385
Energy: 1.0779458301647564

minimum gb energy = 0.8261011527341641 eV
minimum distance =  2.26555673140512 Angstroms
sigma value = 43


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

Energy: 1.1219404474752024
Energy: 0.7954385426293065
Energy: 1.1219404474752024
Energy: 0.7954385426287987
Energy: 1.12194044747571
Energy: 0.7954385426293065
Energy: 0.8899530755517835
Energy: 0.9318904412291551
Energy: 0.8899530755517835
Energy: 0.9318904412296628
Energy: 0.8899530755512758
Energy: 0.9318904412296628
Energy: 0.8784738323884781
Energy: 0.9322936371212984
Energy: 0.8784738323884781
Energy: 0.9322936371223141
Energy: 0.8784738323884781
Energy: 0.9322936371212984
Energy: 1.0637640530727632
Energy: 0.8514407630421175
Energy: 1.0637640530722554
Energy: 0.8514407630421175
Energy: 1.0637640530717476
Energy: 0.8514407630421175
Energy: 1.0373554219644496
Energy: 0.8903893180194528
Energy: 1.0373554219639416
Energy: 0.8903893180184372
Energy: 1.0373554219644496
Energy: 0.8903893180184372
Energy: 0.8714384274223289
Energy: 0.8882668443501659
Energy: 0.8714384274218211
Energy: 0.8882668443501659
Energy: 0.8714384274213134
Energy: 0.8882668443501659
Energy: 0.9996552320477777
Energy: 0.9466953288717911
Energy: 0.99965523204727
Energy: 0.9466953288712832
Energy: 0.99965523204727
Energy: 0.9466953288717911
Energy: 1.0866231063811804
Energy: 0.9932723404686353
Energy: 1.0866231063811804
Energy: 0.9932723404681274
Energy: 1.0866231063811804
Energy: 0.9932723404686353
Energy: 0.8449364422603387
Energy: 0.8781716207109986
Energy: 0.8449364422603387
Energy: 0.8781716207109986
Energy: 0.844936442259831
Energy: 0.8781716207104909
Energy: 0.8936575051110818
Energy: 0.7888025513512915
Energy: 0.8936575051105741
Energy: 0.7888025513512915
Energy: 0.8936575051105741
Energy: 0.7888025513512915
Energy: 0.981183954740433
Energy: 0.991285877310821
Energy: 0.9811839547399253
Energy: 0.991285877310821
Energy: 0.9811839547399253
Energy: 0.991285877310821
Energy: 0.7594685761176428
Energy: 0.8775685013922688
Energy: 0.7594685761181506
Energy: 0.8775685013922688
Energy: 0.7594685761171349
Energy: 0.8775685013922688
Energy: 0.8932223580484916
Energy: 0.7556621078968891
Energy: 0.8932223580489531
Energy: 0.7556621078973969
Energy: 0.8932223580479838
Energy: 0.7556621078968891
Energy: 1.006911653520033
Energy: 0.992145875126562
Energy: 1.006911653520033
Energy: 0.992145875126562
Energy: 1.006911653520033
Energy: 0.992145875126562
Energy: 0.9087518320253176
Energy: 0.8764837789852035
Energy: 0.9087518320258255
Energy: 0.8764837789857113
Energy: 0.9087518320253176
Energy: 0.8764837789852035
Energy: 0.9145713754739062
Energy: 0.8707104591713215
Energy: 0.9145713754739062
Energy: 0.8707104591718293
Energy: 0.9145713754739062
Energy: 0.8707104591713215
Energy: 1.0224644288951061
Energy: 0.9722582425055313
Energy: 1.0224644288945985
Energy: 0.9722582425055313
Energy: 1.0224644288951061
Energy: 0.9722582425055313
Energy: 0.8129173311500087
Energy: 0.8770658131790604
Energy: 0.8129173311500087
Energy: 0.8770658131790604
Energy: 0.812917331149501
Energy: 0.8770658131800759
Energy: 0.8888998135309631
Energy: 0.8834055405202312
Energy: 0.8888998135314709
Energy: 0.8834055405197234
Energy: 0.8888998135314709
Energy: 0.8834055405197234
Energy: 1.0546216714677017
Energy: 1.026446798763675
Energy: 1.0546216714677017
Energy: 1.0264467987641825
Energy: 1.0546216714677017
Energy: 1.026446798763675
Energy: 0.8683340762234586
Energy: 1.031375830702663
Energy: 0.8683340762239663
Energy: 1.0313758307031706
Energy: 0.8683340762239663
Energy: 1.0313758307031706
Energy: 0.941579537298528
Energy: 0.9042740337385259
Energy: 0.9415795372975123
Energy: 0.9042740337390337
Energy: 0.9415795372990358
Energy: 0.9042740337375103
Energy: 0.9388660824317291
Energy: 0.8804571632139275
Energy: 0.9388660824322369
Energy: 0.8804571632144352
Energy: 0.9388660824322369
Energy: 0.8804571632144352
Energy: 0.9422527914634257
Energy: 1.0766813834729148
Energy: 0.9422527914634257
Energy: 1.0766813834744382
Energy: 0.9422527914634257
Energy: 1.0766813834724072
Energy: 0.8902350860653221
Energy: 0.8688176701564073
Energy: 0.8902350860648143
Energy: 0.8688176701564073
Energy: 0.8902350860653221
Energy: 0.8688176701558996
Energy: 0.8893042097447122
Energy: 0.8510742882502109
Energy: 0.8893042097447122
Energy: 0.8510742882502109
Energy: 0.8893042097436967
Energy: 0.8510742882502109
Energy: 0.8653529039329312
Energy: 1.0269556694048043
Energy: 0.8371911732584825
Energy: 1.026955669405312
Energy: 0.8371911732584825
Energy: 1.026955669405312
Energy: 0.8608244460844352
Energy: 0.8627237083262156
Energy: 0.8608244460844352
Energy: 0.8627237083257077
Energy: 0.860824446084943
Energy: 0.8627237083257077
Energy: 0.8721668435623835
Energy: 0.8139853568212794
Energy: 0.8721668435623835
Energy: 0.8139853568212794
Energy: 0.8721668435623835
Energy: 0.8139853568212794
Energy: 0.784507423567252
Energy: 0.997653582921242
Energy: 0.7845074235677598
Energy: 0.997653582921242
Energy: 0.7845074235677598
Energy: 0.997653582921242
Energy: 0.8698223322727987
Energy: 1.0908782995484667
Energy: 0.8698223322727987
Energy: 1.0908782995489743
Energy: 0.8698223322727987
Energy: 1.0908782995484667
Energy: 0.8725026636516723
Energy: 0.7841493605277433
Energy: 0.8725026636511646
Energy: 0.7841493605277433
Energy: 0.8725026636511646
Energy: 0.7841493605277433
Energy: 0.7567022864162005
Energy: 0.8684528902588707
Energy: 0.7567022864156928
Energy: 0.8684528902624253
Energy: 0.7567022864162005
Energy: 0.8684528902588707
Energy: 1.000175385119266
Energy: 0.9901696276366371
Energy: 1.0001753851197737
Energy: 0.9901696276366371
Energy: 1.000175385119266
Energy: 0.9901696276366371
Energy: 0.8973862905315755
Energy: 0.8793540689979013
Energy: 0.8973862905320833
Energy: 0.8793540689979013
Energy: 0.8973862905320833
Energy: 0.879354068998409
Energy: 0.684476328421899
Energy: 0.8671639131015775
Energy: 0.6844763284213912
Energy: 0.867163913100562
Energy: 0.6844763284224068
Energy: 0.8671639131010698

minimum gb energy = 0.6844763284213912 eV
minimum distance =  2.26206406575932 Angstroms
sigma value = 81


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

Energy: 0.04894595979531216
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979531216
Energy: 0.10198550679050149
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8888882906339323
Energy: 0.05007054923072692
Energy: 0.888888290635798
Energy: 0.05007054922886118
Energy: 0.888888290635798
Energy: 0.05007054922886118
Energy: 0.04894595979717792
Energy: 0.10198550679236723
Energy: 0.04894595979531216
Energy: 0.10198550679050149
Energy: 0.04894595979531216
Energy: 0.10198550679236723
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8888882906339323
Energy: 0.05007054922886118
Energy: 0.888888290635798
Energy: 0.05007054922886118
Energy: 0.888888290635798
Energy: 0.05007054922886118
Energy: 0.04894595979531216
Energy: 0.10198550679236723
Energy: 0.04894595979531216
Energy: 0.10198550679236723
Energy: 0.04894595979531216
Energy: 0.10198550679050149
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.888888290635798
Energy: 0.05007054922886118
Energy: 0.888888290635798
Energy: 0.05007054922886118
Energy: 0.888888290635798
Energy: 0.05007054922886118
Energy: 0.04894595979531216
Energy: 0.10198550679236723
Energy: 0.04894595979531216
Energy: 0.10198550679050149
Energy: 0.04894595979531216
Energy: 0.10198550679236723

minimum gb energy = 0.04894595979531216 eV
minimum distance =  2.46592278387418 Angstroms
sigma value = 3


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

Energy: 0.9492880197138948
Energy: 0.7948129045678914
Energy: 0.9492880197138948
Energy: 0.7948129045678914
Energy: 0.9492880197138948
Energy: 0.7948129045684498
Energy: 0.7898405910571521
Energy: 0.8742509001855739
Energy: 0.7898405910571521
Energy: 0.8742509001855739
Energy: 0.7898405910571521
Energy: 0.8742509001855739
Energy: 0.8144120974672105
Energy: 0.9021060505104733
Energy: 0.8144120974672105
Energy: 0.9021060505104733
Energy: 0.8144120974672105
Energy: 0.9021060505104733
Energy: 0.8849657942555927
Energy: 0.8416304371054679
Energy: 0.8849657942561511
Energy: 0.8416304371049095
Energy: 0.8849657942555927
Energy: 0.8416304371049095
Energy: 0.6860401907069593
Energy: 0.8414082304531866
Energy: 0.686040190706401
Energy: 0.8414082304526282
Energy: 0.6860401907069593
Energy: 0.8414082304537447
Energy: 0.821473582222351
Energy: 0.850205163123411
Energy: 0.821473582222351
Energy: 0.850205163123411
Energy: 0.821473582222351
Energy: 0.850205163123411
Energy: 0.8364215758640673
Energy: 0.9001497004397732
Energy: 0.8364215758640673
Energy: 0.9001497004397732
Energy: 0.8364215758640673
Energy: 0.9001497004397732
Energy: 0.6860368020397828
Energy: 0.840631573957696
Energy: 0.6860368020397828
Energy: 0.8406315739582545
Energy: 0.6860368020392245
Energy: 0.8406315739582545
Energy: 0.8340671468531697
Energy: 0.8379799633190831
Energy: 0.8340671468526113
Energy: 0.8379799633185249
Energy: 0.8340671468526113
Energy: 0.8379799633185249
Energy: 0.819550631935804
Energy: 0.8333069830501695
Energy: 0.819550631935804
Energy: 0.8333069830501695
Energy: 0.8195506319369208
Energy: 0.8333069830501695
Energy: 0.7399825203686817
Energy: 0.8147768133244959
Energy: 0.7399825203697984
Energy: 0.8147768133250542
Energy: 0.73998252036924
Energy: 0.8147768133244959
Energy: 0.8599831194812868
Energy: 0.8689543230239025
Energy: 0.8599831194779368
Energy: 0.8689543230239025
Energy: 0.8599831194790534
Energy: 0.8689543230239025
Energy: 0.8428677025945387
Energy: 0.6907487435751979
Energy: 0.8428677025939805
Energy: 0.6907487435757562
Energy: 0.8428677025945387
Energy: 0.6907487435751979
Energy: 0.8676451179419443
Energy: 0.8472006544011043
Energy: 0.8676451179419443
Energy: 0.8472006544005459
Energy: 0.8676451179419443
Energy: 0.8472006544011043
Energy: 0.8671522097487783
Energy: 0.8385669142814381
Energy: 0.8671522097487783
Energy: 0.8385669142814381
Energy: 0.8671522097487783
Energy: 0.8385669142814381
Energy: 0.8440196394795407
Energy: 0.6822821669918714
Energy: 0.8440196394800991
Energy: 0.6822821669918714
Energy: 0.8440196394789824
Energy: 0.6822821669929879
Energy: 0.8775765647936559
Energy: 0.871599599997776
Energy: 0.8775765647942142
Energy: 0.871599599997776
Energy: 0.8775765647936559
Energy: 0.8715995999972177
Energy: 0.8690349724744235
Energy: 0.8116995411232188
Energy: 0.8690349724749817
Energy: 0.8116995411237772
Energy: 0.8690349724749817
Energy: 0.8116995411232188
Energy: 0.8936232310808896
Energy: 0.9171166901885892
Energy: 0.8936232310808896
Energy: 0.9171166901885892
Energy: 0.8936232310808896
Energy: 0.9171166901891475
Energy: 0.7849607502705087
Energy: 0.9263785163244425
Energy: 0.7849607502705087
Energy: 0.9263785163255591
Energy: 0.7849607502705087
Energy: 0.9263785163250008
Energy: 0.8879100253822488
Energy: 0.7959097022291589
Energy: 0.8879100253822488
Energy: 0.7959097022286006
Energy: 0.8879100253828072
Energy: 0.7959097022286006
Energy: 0.9431827784665167
Energy: 0.791555606566841
Energy: 0.9431827784659583
Energy: 0.791555606566841
Energy: 0.9431827784659583
Energy: 0.7915556065673992
Energy: 0.812178093217738
Energy: 0.9040091416196085
Energy: 0.812178093217738
Energy: 0.9040091416196085
Energy: 0.8121780932182963
Energy: 0.9040091416196085
Energy: 0.9153188996851591
Energy: 0.7751685544436537
Energy: 0.9153188996857172
Energy: 0.7751685544430953
Energy: 0.9153188996857172
Energy: 0.7751685544442121
Energy: 0.8657226495342578
Energy: 0.8156657894839574
Energy: 0.8657226495342578
Energy: 0.8156657894839574
Energy: 0.8657226495348161
Energy: 0.8156657894833991
Energy: 0.7789328443292765
Energy: 0.8609874776445346
Energy: 0.7789328443298348
Energy: 0.8609874776450929
Energy: 0.7789328443292765
Energy: 0.8609874776456512
Energy: 0.9354931312916692
Energy: 0.7865153838280876
Energy: 0.9354931312922274
Energy: 0.7865153838275292
Energy: 0.9354931312922274
Energy: 0.7865153838280876
Energy: 0.8364000321231033
Energy: 0.8330892474037247
Energy: 0.8364000321236615
Energy: 0.8330892474037247
Energy: 0.8364000321236615
Energy: 0.8330892474042829
Energy: 0.7527227789094468
Energy: 0.8410857777808642
Energy: 0.7527227789088884
Energy: 0.8410857777808642
Energy: 0.7527227789088884
Energy: 0.8410857777814227
Energy: 0.9505385648732598
Energy: 0.9070295699114393
Energy: 0.9505385648727016
Energy: 0.9070295699119978
Energy: 0.9505385648732598
Energy: 0.9070295699114393
Energy: 0.8573496068734335
Energy: 0.8617785529295399
Energy: 0.8573496068728752
Energy: 0.8617785529295399
Energy: 0.8573496068728752
Energy: 0.8617785529295399
Energy: 0.8289033446952949
Energy: 0.8338423845121924
Energy: 0.8289033446947367
Energy: 0.8338423845105174
Energy: 0.8289033446952949
Energy: 0.8338423845121924
Energy: 0.8359585756548891
Energy: 0.9186817181199465
Energy: 0.8359585756548891
Energy: 0.9186817181199465
Energy: 0.8359585756548891
Energy: 0.9186817181199465

minimum gb energy = 0.6822821669918714 eV
minimum distance =  2.33545123366379 Angstroms
sigma value = 67


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

Energy: 1.0913434106478366
Energy: 0.9883627979588234
Energy: 1.0913434106478366
Energy: 0.9883627979588234
Energy: 1.0913434106478366
Energy: 0.988362797959619
Energy: 0.9675212823241535
Energy: 1.0437378404826834
Energy: 0.9675212823241535
Energy: 1.0437378404826834
Energy: 0.9675212823241535
Energy: 1.0437378404826834
Energy: 1.0253522469848895
Energy: 1.0588202838549332
Energy: 1.0253522469848895
Energy: 1.0588202838549332
Energy: 1.0253522469848895
Energy: 1.0588202838549332
Energy: 1.0438105103823905
Energy: 0.9735974080117885
Energy: 1.043810510383186
Energy: 0.9735974080125841
Energy: 1.043810510383186
Energy: 0.9735974080117885
Energy: 0.9427453618361606
Energy: 0.9558923035047943
Energy: 0.942745361835365
Energy: 0.9558923035047943
Energy: 0.9427453618361606
Energy: 0.9558923035039988
Energy: 1.028015947283032
Energy: 1.0205995056188992
Energy: 1.0280159472838273
Energy: 1.0205995056188992
Energy: 1.0280159472838273
Energy: 1.0205995056181036
Energy: 0.9674898946175742
Energy: 1.0676522268984603
Energy: 0.9674898946167785
Energy: 1.0676522268984603
Energy: 0.9674898946175742
Energy: 1.0676522268984603
Energy: 1.1013227871906452
Energy: 0.9554767468673642
Energy: 1.1013227871898497
Energy: 0.9554767468665685
Energy: 1.1013227871898497
Energy: 0.9554767468665685
Energy: 1.0457002923594314
Energy: 1.065179090446995
Energy: 1.0457002923594314
Energy: 1.065179090446995
Energy: 1.0457002923602268
Energy: 1.0651790904461995
Energy: 1.0210999900012296
Energy: 0.8925287214843132
Energy: 1.0210999900012296
Energy: 0.8925287214835175
Energy: 1.0210999900012296
Energy: 0.8925287214843132
Energy: 1.0345355900658162
Energy: 1.0198794560011988
Energy: 1.0345355900658162
Energy: 1.0198794560011988
Energy: 1.0345355900658162
Energy: 1.0198794560011988
Energy: 1.0050117860014975
Energy: 1.0127873713249314
Energy: 1.0050117860014975
Energy: 1.0127873713249314
Energy: 1.0050117860014975
Energy: 1.0127873713249314
Energy: 0.9930953456391723
Energy: 1.123302313269744
Energy: 0.9930953456391723
Energy: 1.1233023132705398
Energy: 0.9930953456399679
Energy: 1.123302313269744
Energy: 0.993664900006452
Energy: 1.0506560467030073
Energy: 0.9936649000056567
Energy: 1.0506560467030073
Energy: 0.993664900004861
Energy: 1.0506560467038029
Energy: 0.9805574230405945
Energy: 0.9682375503818452
Energy: 0.9805574230405945
Energy: 0.9682375503818452
Energy: 0.9805574230413899
Energy: 0.9682375503818452
Energy: 1.0861760655650725
Energy: 0.9913813064709509
Energy: 1.0861760655650725
Energy: 0.9913813064717464
Energy: 1.0861760655650725
Energy: 0.9913813064717464
Energy: 1.0064449125292902
Energy: 1.0398893129216662
Energy: 1.0064449125300858
Energy: 1.0398893129216662
Energy: 1.0064449125292902
Energy: 1.0398893129216662
Energy: 1.0019740858412405
Energy: 0.9500209241656513
Energy: 1.001974085842036
Energy: 0.950020924164856
Energy: 1.0019740858412405
Energy: 0.950020924164856
Energy: 1.0174910844241183
Energy: 1.028476527394052
Energy: 1.0174910844249139
Energy: 1.028476527394052
Energy: 1.0174910844241183
Energy: 1.0284765273948475
Energy: 1.1391045015901822
Energy: 1.0442283529926504
Energy: 1.1391045015893866
Energy: 1.0442283529918546
Energy: 1.1391045015901822
Energy: 1.0442283529926504
Energy: 1.1267257677596427
Energy: 0.9669617386368511
Energy: 1.1267257677596427
Energy: 0.9669617386368511
Energy: 1.1267257677596427
Energy: 0.9669617386368511
Energy: 1.0474703673124175
Energy: 1.0885426356146537
Energy: 1.0474703673124175
Energy: 1.0885426356146537
Energy: 1.0474703673132126
Energy: 1.0885426356146537
Energy: 1.0136058657571936
Energy: 1.0437540789348048
Energy: 1.0136058657571936
Energy: 1.0437540789348048
Energy: 1.0136058657571936
Energy: 1.0437540789348048

minimum gb energy = 0.8925287214835175 eV
minimum distance =  2.32119999126259 Angstroms
sigma value = 33


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

Energy: 1.203820599108355
Energy: 1.079927099071029
Energy: 1.2038205991078506
Energy: 1.0799270990715337
Energy: 1.2038205991078506
Energy: 1.0799270990715337
Energy: 1.0804119757295816
Energy: 1.1528779265902447
Energy: 1.0804119757300863
Energy: 1.1528779265902447
Energy: 1.0804119757290769
Energy: 1.1528779265902447
Energy: 1.1524501220537378
Energy: 1.1536852878021935
Energy: 1.1524501220537378
Energy: 1.1536852878016888
Energy: 1.1524501220537378
Energy: 1.1536852878016888
Energy: 1.1532727682936694
Energy: 1.0887247887822886
Energy: 1.1532727682936694
Energy: 1.088724788781784
Energy: 1.1532727682936694
Energy: 1.0887247887822886
Energy: 1.0936713535842055
Energy: 1.213746532017951
Energy: 1.0936713535842055
Energy: 1.213746532017951
Energy: 1.0936713535842055
Energy: 1.213746532017951
Energy: 1.3363324024731762
Energy: 1.1819268551572142
Energy: 1.3363324024731762
Energy: 1.1819268551567093
Energy: 1.3363324024731762
Energy: 1.1819268551572142
Energy: 1.0868989395712578
Energy: 1.1455290882003606
Energy: 1.0868989395722672
Energy: 1.1455290882003606
Energy: 1.086898939573781
Energy: 1.1455290882003606
Energy: 1.1628700842791568
Energy: 1.144273129733275
Energy: 1.1628700842791568
Energy: 1.1442731297337798
Energy: 1.1628700842791568
Energy: 1.1442731297337798
Energy: 1.1338665345649697
Energy: 1.154343779858744
Energy: 1.1338665345649697
Energy: 1.1543437798582392
Energy: 1.13386653456396
Energy: 1.1543437798582392
Energy: 1.211461211923456
Energy: 1.1640851978674975
Energy: 1.2114612119239607
Energy: 1.1640851978669928
Energy: 1.2114612119214372
Energy: 1.1640851978674975
Energy: 1.1555574085040579
Energy: 1.1573999837634554
Energy: 1.1555574085040579
Energy: 1.1573999837634554
Energy: 1.1555574085040579
Energy: 1.1573999837634554
Energy: 1.079710671373745
Energy: 1.0877301409563827
Energy: 1.079710671373745
Energy: 1.0877301409563827
Energy: 1.079710671373745
Energy: 1.0877301409558777
Energy: 1.1959211599108053
Energy: 1.104684666624321
Energy: 1.1959211599108053
Energy: 1.1046846666238164
Energy: 1.1959211599103006
Energy: 1.1046846666238164
Energy: 1.0912563064977463
Energy: 1.1519769378799791
Energy: 1.0912563064972418
Energy: 1.1519769378799791
Energy: 1.0912563064977463
Energy: 1.1519769378804836
Energy: 1.120541344340917
Energy: 1.1143270654251032
Energy: 1.120541344340917
Energy: 1.1143270654245985
Energy: 1.120541344340917
Energy: 1.1143270654245985
Energy: 1.1530968194421403
Energy: 1.2254280740236831
Energy: 1.1530968194421403
Energy: 1.2254280740236831
Energy: 1.1530968194416358
Energy: 1.2254280740236831
Energy: 1.0772703116292774
Energy: 1.1553577426034785
Energy: 1.0772703116287727
Energy: 1.1553577426034785
Energy: 1.0772703116287727
Energy: 1.1553577426034785
Energy: 1.1789724781713349
Energy: 1.266506819131699
Energy: 1.1789724781713349
Energy: 1.266506819131699
Energy: 1.1789724781713349
Energy: 1.266506819131699
Energy: 1.0770870892127922
Energy: 1.182678589154338
Energy: 1.0770870892127922
Energy: 1.182678589154338
Energy: 1.0770870892127922
Energy: 1.182678589154338
Energy: 1.234738312829505
Energy: 1.2047718363324174
Energy: 1.234738312829505
Energy: 1.2047718363324174
Energy: 1.234738312829505
Energy: 1.2047718363319126
Energy: 1.1579352821991444
Energy: 1.1671150490166236
Energy: 1.1579352821996494
Energy: 1.1671150490171283
Energy: 1.1579352821996494
Energy: 1.1671150490166236
Energy: 1.119218526017404
Energy: 1.0648430622926128
Energy: 1.119218526017404
Energy: 1.0648430622926128
Energy: 1.119218526017404
Energy: 1.0648430622926128
Energy: 1.1104058193556663
Energy: 1.1573002634303156
Energy: 1.1104058193556663
Energy: 1.1573002634298108
Energy: 1.1104058193556663
Energy: 1.1573002634298108
Energy: 1.218118238850465
Energy: 1.089443086318623
Energy: 1.218118238850465
Energy: 1.089443086318623
Energy: 1.2181182388509237
Energy: 1.089443086318623
Energy: 1.0791995049541139
Energy: 1.0895941333718573
Energy: 1.0791995049520953
Energy: 1.0895941333718573
Energy: 1.0791995049541139
Energy: 1.0895941333718573
Energy: 1.1109101444693597
Energy: 1.1551768867051118
Energy: 1.1109101444693597
Energy: 1.1551768867056162
Energy: 1.1109101444698644
Energy: 1.1551768867051118
Energy: 1.0866177536620147
Energy: 1.0631327298113986
Energy: 1.0866177536625197
Energy: 1.0631327298113986
Energy: 1.0866177536625197
Energy: 1.0631327298113986
Energy: 1.180944234148036
Energy: 1.2225582318354062
Energy: 1.180944234148036
Energy: 1.2225582318359112
Energy: 1.180944234148036
Energy: 1.2225582318359112
Energy: 1.2339880069701732
Energy: 1.1933853198659035
Energy: 1.2339880069696685
Energy: 1.1933853198659035
Energy: 1.2339880069696685
Energy: 1.1933853198659035
Energy: 1.0762104632233884
Energy: 1.0547031790116008
Energy: 1.076210463223893
Energy: 1.0547031790121055
Energy: 1.0762104632233884
Energy: 1.0547031790116008
Energy: 1.2241166153962308
Energy: 1.2116822527140418
Energy: 1.2241166153962308
Energy: 1.2116822527145465
Energy: 1.2241166153962308
Energy: 1.2116822527145465
Energy: 1.0963909593938848
Energy: 1.1525143841560355
Energy: 1.0963909593938848
Energy: 1.1525143841560355
Energy: 1.0963909593938848
Energy: 1.1525143841555308
Energy: 1.1498933474235948
Energy: 1.2255188234641439
Energy: 1.1498933474235948
Energy: 1.2255188234641439
Energy: 1.1498933474240995
Energy: 1.2255188234641439
Energy: 1.1181594188112582
Energy: 1.2050935259247506
Energy: 1.1181594188107535
Energy: 1.2050935259247506
Energy: 1.1181594188112582
Energy: 1.2050935259247506
Energy: 1.0906999429425763
Energy: 1.1537831621444026
Energy: 1.0906999429430808
Energy: 1.153783162143898
Energy: 1.0906999429420716
Energy: 1.1537831621433934
Energy: 1.2071129817197024
Energy: 1.1037715876654848
Energy: 1.2071129817197024
Energy: 1.1037715876654848
Energy: 1.2071129817191977
Energy: 1.1037715876654848
Energy: 1.0813073028945357
Energy: 1.1096509488911814
Energy: 1.0813073028945357
Energy: 1.1096509488911814
Energy: 1.081307302894031
Energy: 1.1096509488906767

minimum gb energy = 1.0547031790116008 eV
minimum distance =  2.30774748854581 Angstroms
sigma value = 41


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

Energy: 1.3368090274743334
Energy: 1.2870515161372618
Energy: 1.3368090274743334
Energy: 1.2870515161372618
Energy: 1.3368090274743334
Energy: 1.2870515161358835
Energy: 1.2510515498205703
Energy: 1.3317055773032198
Energy: 1.2510515498205703
Energy: 1.3317055773032198
Energy: 1.2510515498205703
Energy: 1.3317055773032198
Energy: 1.4979770705532203
Energy: 1.3292623531917938
Energy: 1.5053751290308763
Energy: 1.3292623531917938
Energy: 1.4476487583813713
Energy: 1.3292623531917938
Energy: 1.386801451750637
Energy: 1.347437605804019
Energy: 1.386801451750637
Energy: 1.347437605804019
Energy: 1.386801451750637
Energy: 1.347437605804019
Energy: 1.3603242501331738
Energy: 1.3368462476774483
Energy: 1.3603242501331738
Energy: 1.3368462476774483
Energy: 1.3603242501331738
Energy: 1.3368462476774483
Energy: 1.4789824657282782
Energy: 1.3808001598290423
Energy: 1.4789824657282782
Energy: 1.3808001598290423
Energy: 1.4789824657282782
Energy: 1.3808001598290423
Energy: 1.452759060586893
Energy: 1.2415954190294036
Energy: 1.452759060586893
Energy: 1.2415954190280258
Energy: 1.452759060586893
Energy: 1.2415954190280258
Energy: 1.3258269107626224
Energy: 1.298334512563723
Energy: 1.3258269107626224
Energy: 1.298334512563723
Energy: 1.3258269107626224
Energy: 1.298334512563723
Energy: 1.2572342928003444
Energy: 1.2444887071156596
Energy: 1.2572342928003444
Energy: 1.2444887071156596
Energy: 1.2572342928003444
Energy: 1.2444887071156596
Energy: 1.3397093077544684
Energy: 1.3182568235911063
Energy: 1.3397093077544684
Energy: 1.3182568235911063
Energy: 1.3397093077544684
Energy: 1.3182568235911063
Energy: 1.2540013502981113
Energy: 1.329591469961961
Energy: 1.2540013502981113
Energy: 1.329591469961961
Energy: 1.2540013502981113
Energy: 1.329591469961961
Energy: 1.3305524317621373
Energy: 1.331472369723374
Energy: 1.3305524317635151
Energy: 1.331472369723374
Energy: 1.3305524317621373
Energy: 1.331472369723374
Energy: 1.3628060951024137
Energy: 1.3454629456106904
Energy: 1.3628060951024137
Energy: 1.3454629456106904
Energy: 1.3628060951024137
Energy: 1.3454629456120681
Energy: 1.3460881941552898
Energy: 1.331668121950811
Energy: 1.3460881941552898
Energy: 1.331668121950811
Energy: 1.3460881941552898
Energy: 1.331668121950811

minimum gb energy = 1.2415954190280258 eV
minimum distance =  2.26697166622131 Angstroms
sigma value = 11


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

Energy: 1.5927585551767751
Energy: 1.5712777018517203
Energy: 1.5927585551767751
Energy: 1.5712777018517203
Energy: 1.5927585551767751
Energy: 1.5712777018517203
Energy: 1.371321164248977
Energy: 1.5427893369376613
Energy: 1.371321164248977
Energy: 1.5427893369370558
Energy: 1.371321164248977
Energy: 1.5427893369370558
Energy: 1.5524073331583965
Energy: 1.4603889629160474
Energy: 1.5311450675392344
Energy: 1.4603889629160474
Energy: 1.5524073331583965
Energy: 1.4603889629160474
Energy: 1.4576244094515167
Energy: 1.3742089169887972
Energy: 1.4576244094515167
Energy: 1.3742089169887972
Energy: 1.4576244094515167
Energy: 1.374208916988192
Energy: 1.5077478704404788
Energy: 1.4486938663595865
Energy: 1.5077478704404788
Energy: 1.4486938663595865
Energy: 1.5077478704404788
Energy: 1.4486938663595865
Energy: 1.4578135127318046
Energy: 1.4926368367961436
Energy: 1.4578135127318046
Energy: 1.4926368367961436
Energy: 1.4578135127318046
Energy: 1.4926368367961436
Energy: 1.4472485951815246
Energy: 1.4484270860588515
Energy: 1.4472485951815246
Energy: 1.4484270860588515
Energy: 1.4472485951815246
Energy: 1.4484270860588515
Energy: 1.4408976546310648
Energy: 1.4562195223010992
Energy: 1.4408976546310648
Energy: 1.4562195223010992
Energy: 1.4408976546310648
Energy: 1.4562195223010992
Energy: 1.4594319567591645
Energy: 1.4589961571547345
Energy: 1.4594319567591645
Energy: 1.4589961571547345
Energy: 1.4594319567591645
Energy: 1.4589961571529184
Energy: 1.4473491782999155
Energy: 1.450915506443797
Energy: 1.4473491782999155
Energy: 1.4509155064444024
Energy: 1.4473491783005208
Energy: 1.4509155064450079
Energy: 1.4523193385195894
Energy: 1.520292874038064
Energy: 1.4523193385201947
Energy: 1.5202928740386692
Energy: 1.4523193385195894
Energy: 1.520292874038064
Energy: 1.4736481523631368
Energy: 1.5097147283274648
Energy: 1.473648152363742
Energy: 1.5097147283274648
Energy: 1.473648152363742
Energy: 1.50971472832807
Energy: 1.4688258286959799
Energy: 1.4504018631823
Energy: 1.4688258286959799
Energy: 1.4504018631823
Energy: 1.4688258286959799
Energy: 1.4504018631823
Energy: 1.4747594137813482
Energy: 1.4843006835943655
Energy: 1.4747594137813482
Energy: 1.4843006835943655
Energy: 1.4747594137813482
Energy: 1.4843006835943655
Energy: 1.4113770808911783
Energy: 1.4410798742519624
Energy: 1.4113770808911783
Energy: 1.4410798742525677
Energy: 1.4113770808911783
Energy: 1.4410798742525677
Energy: 1.5174055605578778
Energy: 1.455664496464151
Energy: 1.5174055605578778
Energy: 1.455664496464151
Energy: 1.5174055605578778
Energy: 1.455664496464151
Energy: 1.4075937203348272
Energy: 1.4899218934876037
Energy: 1.4075937203348272
Energy: 1.4899218934876037
Energy: 1.4075937203342221
Energy: 1.4899218934876037
Energy: 1.534376843296614
Energy: 1.5542917660541595
Energy: 1.534376843296614
Energy: 1.5542917660541595
Energy: 1.5343768432972194
Energy: 1.5542917660541595
Energy: 1.431278477976152
Energy: 1.4011945265286803
Energy: 1.4312784779767573
Energy: 1.4011945265286803
Energy: 1.4312784779767573
Energy: 1.4011945265286803
Energy: 1.4619102540874376
Energy: 1.5067927996339412
Energy: 1.4619102540880429
Energy: 1.5067927996339412
Energy: 1.4619102540874376
Energy: 1.506792799633336
Energy: 1.3954007831446669
Energy: 1.4116561658768585
Energy: 1.3954007831446669
Energy: 1.4116561658768585
Energy: 1.3954007831446669
Energy: 1.4116561658768585
Energy: 1.5406976571595021
Energy: 1.5704862408316045
Energy: 1.5406976571595021
Energy: 1.5704862408316045
Energy: 1.5406976571595021
Energy: 1.5704862408316045
Energy: 1.4572306849794656
Energy: 1.466153000484803
Energy: 1.4572306849794656
Energy: 1.466153000484803
Energy: 1.4572306849794656
Energy: 1.466153000484803
Energy: 1.5017868329697617
Energy: 1.5053249782944174
Energy: 1.5017868329697617
Energy: 1.5053249782938118
Energy: 1.5017868329697617
Energy: 1.5053249782938118
Energy: 1.4540634011759075
Energy: 1.4477403345312003
Energy: 1.4540634011759075
Energy: 1.4477403345312003
Energy: 1.4540634011759075
Energy: 1.4477403345312003
Energy: 1.4012143124732606
Energy: 1.5076363682561464
Energy: 1.4012143124726553
Energy: 1.5076363682561464
Energy: 1.4012143124726553
Energy: 1.5076363682561464
Energy: 1.442683880115084
Energy: 1.535605068641821
Energy: 1.442683880115084
Energy: 1.535605068641821
Energy: 1.442683880115084
Energy: 1.535605068641821
Energy: 1.4690562294587979
Energy: 1.406922092856244
Energy: 1.4690562294587979
Energy: 1.4069220928556387
Energy: 1.4690562294587979
Energy: 1.4069220928556387
Energy: 1.4648602286926211
Energy: 1.4764528313356613
Energy: 1.4648602286920158
Energy: 1.4764528313356613
Energy: 1.4648602286926211
Energy: 1.4764528313356613
Energy: 1.4152057320239875
Energy: 1.3693401960381717
Energy: 1.415205732023382
Energy: 1.3693401960375666
Energy: 1.4152057320239875
Energy: 1.3693401960375666
Energy: 1.4479062710205344
Energy: 1.5227010806304337
Energy: 1.4479062710205344
Energy: 1.5227010806310388
Energy: 1.4479062710205344
Energy: 1.5227010806310388

minimum gb energy = 1.3693401960375666 eV
minimum distance =  2.24477908227214 Angstroms
sigma value = 57


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

Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.3844392725776435
Energy: 1.3221598221599535
Energy: 1.4950760113149866
Energy: 1.4089263540777797
Energy: 1.4950760113139094
Energy: 1.4089263540777797
Energy: 1.4950760113139094
Energy: 1.4089263540777797
Energy: 1.5280026316049122
Energy: 1.4081475372682526
Energy: 1.5280026316049122
Energy: 1.4081475372682526
Energy: 1.5280026316049122
Energy: 1.4081475372682526
Energy: 1.4006705134336173
Energy: 1.3680895899427987
Energy: 1.4006705134336173
Energy: 1.3680895899427987
Energy: 1.4006705134336173
Energy: 1.3680895899427987
Energy: 1.5277576099329495
Energy: 1.408039280858392
Energy: 1.5277576099318722
Energy: 1.408039280859469
Energy: 1.5277576099318722
Energy: 1.408039280858392
Energy: 1.4951047925431242
Energy: 1.4681486128035897
Energy: 1.495104792542047
Energy: 1.4601142801314768
Energy: 1.4951047925431242
Energy: 1.3451363219082637
Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.4950760113139094
Energy: 1.4089263540777797
Energy: 1.4950760113139094
Energy: 1.4089263540777797
Energy: 1.4950760113139094
Energy: 1.4089263540777797
Energy: 1.5280026316049122
Energy: 1.4081475372682526
Energy: 1.5280026316049122
Energy: 1.4081475372671755
Energy: 1.5280026316049122
Energy: 1.4081475372682526
Energy: 1.4006705134336173
Energy: 1.3065775315174093
Energy: 1.4006705134336173
Energy: 1.3065775315174093
Energy: 1.4006705134336173
Energy: 1.3065775315174093
Energy: 1.5277576099318722
Energy: 1.408039280858392
Energy: 1.5277576099318722
Energy: 1.408039280858392
Energy: 1.5277576099318722
Energy: 1.408039280858392
Energy: 1.495104792542047
Energy: 1.3451363219082637
Energy: 1.495104792542047
Energy: 1.3451363219082637
Energy: 1.4951047925431242
Energy: 1.3451363219082637
Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.3844392725776435
Energy: 1.322159822161031
Energy: 1.4950760113149866
Energy: 1.4089263540777797
Energy: 1.4950760113139094
Energy: 1.4089263540777797
Energy: 1.4950760113139094
Energy: 1.4089263540777797
Energy: 1.5280026316049122
Energy: 1.4081475372682526
Energy: 1.5280026316059894
Energy: 1.4081475372682526
Energy: 1.5280026316049122
Energy: 1.4081475372682526
Energy: 1.4006705134336173
Energy: 1.3065775315174093
Energy: 1.4006705134336173
Energy: 1.3065775315184864
Energy: 1.4006705134336173
Energy: 1.3065775315184864
Energy: 1.5277576099329495
Energy: 1.408039280858392
Energy: 1.5277576099318722
Energy: 1.408039280858392
Energy: 1.5277576099329495
Energy: 1.408039280858392

minimum gb energy = 1.3065775315174093 eV
minimum distance =  2.27736172534814 Angstroms
sigma value = 9


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

Energy: 1.5531815005729817
Energy: 1.5927289114351415
Energy: 1.5531815005729817
Energy: 1.5927289114351415
Energy: 1.5531815005729817
Energy: 1.5927289114351415
Energy: 1.4662012737233205
Energy: 1.467860678524219
Energy: 1.4662012737233205
Energy: 1.4678606785233395
Energy: 1.4662012737233205
Energy: 1.4678606785233395
Energy: 1.5048911570576295
Energy: 1.4865422911353618
Energy: 1.5048911570576295
Energy: 1.4865422911353618
Energy: 1.5048911570576295
Energy: 1.4865422911353618
Energy: 1.4684975746396438
Energy: 1.556806476668332
Energy: 1.4684975746396438
Energy: 1.556806476668332
Energy: 1.4684975746396438
Energy: 1.556806476668332
Energy: 1.4789988164193753
Energy: 1.5258568165520148
Energy: 1.4789988164193753
Energy: 1.5258568165520148
Energy: 1.4789988164202548
Energy: 1.5258568165520148
Energy: 1.4883674193943504
Energy: 1.5106022426407073
Energy: 1.4883674193943504
Energy: 1.5106022426407073
Energy: 1.4883674193943504
Energy: 1.5106022426415866
Energy: 1.482816853501021
Energy: 1.5154865899161807
Energy: 1.482816853501021
Energy: 1.5154865899161807
Energy: 1.482816853501021
Energy: 1.5154865899161807
Energy: 1.4513627759458687
Energy: 1.5195669913157057
Energy: 1.4513627759458687
Energy: 1.5195669913157057
Energy: 1.4513627759458687
Energy: 1.5195669913157057
Energy: 1.5585561037546574
Energy: 1.5145857798027453
Energy: 1.558556103753778
Energy: 1.5145857798027453
Energy: 1.5585561037546574
Energy: 1.5145857798036246
Energy: 1.4799014373257364
Energy: 1.50607739186803
Energy: 1.4799014373257364
Energy: 1.50607739186803
Energy: 1.4799014373257364
Energy: 1.50607739186803
Energy: 1.450490647516408
Energy: 1.4707338212531347
Energy: 1.4504906475172876
Energy: 1.4707338212531347
Energy: 1.4504906475172876
Energy: 1.4707338212531347
Energy: 1.5316119791364093
Energy: 1.5063657229636431
Energy: 1.593597928375119
Energy: 1.5063657229645226
Energy: 1.5316119791364093
Energy: 1.5063657229645226
Energy: 1.4538273354266924
Energy: 1.4989854083642773
Energy: 1.4538273354266924
Energy: 1.4989854083642773
Energy: 1.4538273354266924
Energy: 1.4989854083642773
Energy: 1.4609313972120734
Energy: 1.4761366735797659
Energy: 1.460931397211194
Energy: 1.4761366735797659
Energy: 1.460931397211194
Energy: 1.4761366735797659
Energy: 1.5681264236510546
Energy: 1.4882667927861881
Energy: 1.568126423650175
Energy: 1.4882667927861881
Energy: 1.568126423650175
Energy: 1.4882667927861881
Energy: 1.5675842758332146
Energy: 1.5605649484195814
Energy: 1.5675842758332146
Energy: 1.5605649484204611
Energy: 1.5675842758332146
Energy: 1.5605649484195814
Energy: 1.5852509277382667
Energy: 1.5768342217895777
Energy: 1.5852509277382667
Energy: 1.5768342217895777
Energy: 1.5852509277382667
Energy: 1.5768342217895777
Energy: 1.6178103389820562
Energy: 1.5004212620017399
Energy: 1.6178103389820562
Energy: 1.5004212620017399
Energy: 1.6178103389820562
Energy: 1.5004212620017399
Energy: 1.4620622436691197
Energy: 1.4805844275808036
Energy: 1.4620622436682402
Energy: 1.4805844275808036
Energy: 1.4620622436691197
Energy: 1.4805844275808036
Energy: 1.474875446624007
Energy: 1.5171571888161677
Energy: 1.474875446624007
Energy: 1.5171571888161677
Energy: 1.474875446624007
Energy: 1.5171571888161677
Energy: 1.5307160544696417
Energy: 1.4915966400018343
Energy: 1.5307160544696417
Energy: 1.4915966400027136
Energy: 1.5307160544696417
Energy: 1.4915966400018343

minimum gb energy = 1.450490647516408 eV
minimum distance =  2.24140607360809 Angstroms
sigma value = 27


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

Energy: 1.4705434719879669
Energy: 1.3557854672040495
Energy: 1.4705434719872257
Energy: 1.3557854672040495
Energy: 1.4705434719879669
Energy: 1.3557854672040495
Energy: 1.3837638572956525
Energy: 1.43877824845584
Energy: 1.3837638572963937
Energy: 1.43877824845584
Energy: 1.3837638572956525
Energy: 1.43877824845584
Energy: 1.4484617939920936
Energy: 1.4922685413171608
Energy: 1.4484617939920936
Energy: 1.4922685413171608
Energy: 1.4484617939920936
Energy: 1.4922685413171608
Energy: 1.4399218419404982
Energy: 1.449497979428974
Energy: 1.4399218419404982
Energy: 1.4494979794282326
Energy: 1.4399218419404982
Energy: 1.4494979794282326
Energy: 1.438981371530064
Energy: 1.4321971142221241
Energy: 1.438981371530064
Energy: 1.4321971142213827
Energy: 1.438981371530064
Energy: 1.4321971142213827
Energy: 1.3574387622810595
Energy: 1.4740468536620621
Energy: 1.3574387622810595
Energy: 1.4740468536620621
Energy: 1.3574387622810595
Energy: 1.4740468536620621
Energy: 1.4698633879495078
Energy: 1.3647485775307369
Energy: 1.4698633879495078
Energy: 1.3647485775307369
Energy: 1.4698633879495078
Energy: 1.3647485775307369
Energy: 1.5224250733986515
Energy: 1.509858232120477
Energy: 1.5224250733986515
Energy: 1.509858232120477
Energy: 1.5224250733986515
Energy: 1.509858232120477
Energy: 1.367858485910815
Energy: 1.4743086964673182
Energy: 1.367858485910815
Energy: 1.4743086964673182
Energy: 1.3678584859093323
Energy: 1.4743086964673182
Energy: 1.439280193999152
Energy: 1.3644212400414069
Energy: 1.439280193999152
Energy: 1.3644212400406657
Energy: 1.439280193999152
Energy: 1.3644212400406657
Energy: 1.4396999428008184
Energy: 1.364458774003275
Energy: 1.4396999428008184
Energy: 1.364458774003275
Energy: 1.4396999428008184
Energy: 1.364458774003275
Energy: 1.3679076125509921
Energy: 1.473429641468429
Energy: 1.3679076125517335
Energy: 1.473429641468429
Energy: 1.3679076125509921
Energy: 1.473429641468429
Energy: 1.5227997873815755
Energy: 1.5093377071686107
Energy: 1.5227997873815755
Energy: 1.5093377071686107
Energy: 1.5227997873823171
Energy: 1.5093377071686107
Energy: 1.4698278263016464
Energy: 1.3647364942251012
Energy: 1.4698278263016464
Energy: 1.3647364942258426
Energy: 1.4698278263016464
Energy: 1.3647364942251012
Energy: 1.357556149641557
Energy: 1.4739875123718322
Energy: 1.357556149641557
Energy: 1.4739875123718322
Energy: 1.357556149641557
Energy: 1.4739875123725739
Energy: 1.4391537464666666
Energy: 1.432232078125816
Energy: 1.4391537464666666
Energy: 1.4322320781250746
Energy: 1.4391537464666666
Energy: 1.432232078125816
Energy: 1.4398079389939988
Energy: 1.449197025892144
Energy: 1.4398079389939988
Energy: 1.449197025892144
Energy: 1.4398079389939988
Energy: 1.449197025892144
Energy: 1.4482245299996184
Energy: 1.4922439970038202
Energy: 1.4482245299996184
Energy: 1.4922439970045613
Energy: 1.4482245299996184
Energy: 1.4922439970045613
Energy: 1.3837414009033357
Energy: 1.4385330774659673
Energy: 1.383741400904077
Energy: 1.4385330774659673
Energy: 1.3837414009033357
Energy: 1.4385330774652259
Energy: 1.4705434719879669
Energy: 1.3557854672040495
Energy: 1.4705434719879669
Energy: 1.3557854672040495
Energy: 1.4705434719879669
Energy: 1.3557854672040495
Energy: 1.3837638572956525
Energy: 1.43877824845584
Energy: 1.3837638572963937
Energy: 1.43877824845584
Energy: 1.3837638572956525
Energy: 1.43877824845584
Energy: 1.4484617939920936
Energy: 1.4922685413171608
Energy: 1.4484617939920936
Energy: 1.4922685413171608
Energy: 1.4484617939928348
Energy: 1.4922685413164192
Energy: 1.4399218419404982
Energy: 1.4494979794282326
Energy: 1.4399218419404982
Energy: 1.4494979794282326
Energy: 1.4399218419404982
Energy: 1.4494979794282326
Energy: 1.438981371530064
Energy: 1.4321971142213827
Energy: 1.438981371530064
Energy: 1.4321971142221241
Energy: 1.438981371530064
Energy: 1.4321971142221241
Energy: 1.3574387622818007
Energy: 1.4740468536620621
Energy: 1.3574387622818007
Energy: 1.4740468536620621
Energy: 1.3574387622818007
Energy: 1.4740468536628035

minimum gb energy = 1.3557854672040495 eV
minimum distance =  2.30357735555304 Angstroms
sigma value = 19


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

Energy: 1.4599512299544182
Energy: 1.5055521221716708
Energy: 1.4599512299544182
Energy: 1.505552122172311
Energy: 1.4599512299544182
Energy: 1.5055521221716708
Energy: 1.4148522462776438
Energy: 1.4270300118216253
Energy: 1.4148522462776438
Energy: 1.4270300118209853
Energy: 1.4148522462776438
Energy: 1.4270300118209853
Energy: 1.5761536586857956
Energy: 1.393989376714179
Energy: 1.643160545945238
Energy: 1.393989376714179
Energy: 1.4779576143982418
Energy: 1.393989376714179
Energy: 1.4046416296242301
Energy: 1.4125345629639072
Energy: 1.4046416296242301
Energy: 1.4125345629639072
Energy: 1.4046416296242301
Energy: 1.4125345629639072
Energy: 1.4187831176614962
Energy: 1.4877827059216238
Energy: 1.4187831176614962
Energy: 1.4877827059216238
Energy: 1.4187831176614962
Energy: 1.4877827059216238
Energy: 1.4186809284473372
Energy: 1.4163226368682076
Energy: 1.4186809284473372
Energy: 1.4163226368682076
Energy: 1.4186809284473372
Energy: 1.4163226368682076
Energy: 1.3854476684170085
Energy: 1.5514130095262468
Energy: 1.3854476684170085
Energy: 1.5514130095262468
Energy: 1.3854476684170085
Energy: 1.5514130095262468
Energy: 1.427228892775032
Energy: 1.5852952468259924
Energy: 1.427228892775032
Energy: 1.5852952468259924
Energy: 1.427228892775032
Energy: 1.5852952468259924
Energy: 1.5280548525293738
Energy: 1.38560272387311
Energy: 1.5280548525293738
Energy: 1.38560272387311
Energy: 1.5280548525293738
Energy: 1.3856027238724697
Energy: 1.4785203130645652
Energy: 1.4095275822338644
Energy: 1.4785203130652051
Energy: 1.4095275822338644
Energy: 1.4785203130652051
Energy: 1.4095275822338644
Energy: 1.3873977687587942
Energy: 1.5523371130842134
Energy: 1.3873977687587942
Energy: 1.5523371130842134
Energy: 1.3873977687587942
Energy: 1.5523371130842134
Energy: 1.4736421223372729
Energy: 1.4017348581656015
Energy: 1.4736421223372729
Energy: 1.4017348581662414
Energy: 1.4736421223372729
Energy: 1.4017348581656015
Energy: 1.4508224167404244
Energy: 1.4347317849860475
Energy: 1.4508224167404244
Energy: 1.4347317849860475
Energy: 1.4508224167404244
Energy: 1.4347317849860475
Energy: 1.4153963610061988
Energy: 1.4101830633022416
Energy: 1.4153963610061988
Energy: 1.4101830633022416
Energy: 1.4153963610055589
Energy: 1.4101830633022416
Energy: 1.4439418538400048
Energy: 1.370144142576556
Energy: 1.4439418538400048
Energy: 1.3701441425771959
Energy: 1.4439418538400048
Energy: 1.3701441425771959
Energy: 1.5372088867632456
Energy: 1.390196558986302
Energy: 1.5372088867632456
Energy: 1.390196558986302
Energy: 1.5372088867632456
Energy: 1.3901965589869418
Energy: 1.4228151591888374
Energy: 1.4254010902521332
Energy: 1.4228151591881975
Energy: 1.4254010902527732
Energy: 1.4228151591888374
Energy: 1.4254010902521332
Energy: 1.4545781910043885
Energy: 1.578608750702458
Energy: 1.4545781910037483
Energy: 1.578608750701818
Energy: 1.4545781910043885
Energy: 1.578608750701818
Energy: 1.4768529557198313
Energy: 1.4151895849307592
Energy: 1.4768529557198313
Energy: 1.4151895849307592
Energy: 1.4768529557198313
Energy: 1.4151895849313991
Energy: 1.3990100524146436
Energy: 1.4456222947441466
Energy: 1.3990100524146436
Energy: 1.4456222947441466
Energy: 1.3990100524146436
Energy: 1.4456222947441466
Energy: 1.363904593562307
Energy: 1.571089507607964
Energy: 1.3639045935616672
Energy: 1.571089507607964
Energy: 1.363904593562307
Energy: 1.571089507607964
Energy: 1.5302206153279019
Energy: 1.397457796388355
Energy: 1.5302206153279019
Energy: 1.397457796388355
Energy: 1.5302206153285418
Energy: 1.397457796388355
Energy: 1.524344152363739
Energy: 1.422228965577067
Energy: 1.5243441523624592
Energy: 1.4222289655757872
Energy: 1.5243441523624592
Energy: 1.422228965576427
Energy: 1.450709680334892
Energy: 1.5173714510605294
Energy: 1.4507096803355322
Energy: 1.5173714510605294
Energy: 1.450709680334892
Energy: 1.5173714510605294
Energy: 1.43698258151336
Energy: 1.413618567803206
Energy: 1.43698258151336
Energy: 1.4136185678025661
Energy: 1.43698258151272
Energy: 1.4136185678025661
Energy: 1.4563566004516182
Energy: 1.3980898801618677
Energy: 1.4563566004516182
Energy: 1.3980898801618677
Energy: 1.4563566004522581
Energy: 1.398089880162508
Energy: 1.3796983680623487
Energy: 1.4213716730205763
Energy: 1.3796983680623487
Energy: 1.4213716730205763
Energy: 1.3796983680623487
Energy: 1.4213716730205763
Energy: 1.4851978185580195
Energy: 1.4063338959973881
Energy: 1.4851978185580195
Energy: 1.4063338959973881
Energy: 1.4851978185580195
Energy: 1.4063338959973881
Energy: 1.4379906438668613
Energy: 1.4082058482426327
Energy: 1.4379906438675012
Energy: 1.4082058482426327
Energy: 1.4379906438668613
Energy: 1.4082058482426327

minimum gb energy = 1.3639045935616672 eV
minimum distance =  2.2673286582216 Angstroms
sigma value = 101


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

Energy: 1.359638688887579
Energy: 1.4211434396124343
Energy: 1.359638688887579
Energy: 1.421143439612997
Energy: 1.359638688887579
Energy: 1.4211434396124343
Energy: 1.471496900320569
Energy: 1.3555463521864195
Energy: 1.4714969003200062
Energy: 1.3555463521864195
Energy: 1.4714969003211313
Energy: 1.355546352185857
Energy: 1.3850579531769154
Energy: 1.3350204682494564
Energy: 1.3850579531769154
Energy: 1.3350204682494564
Energy: 1.3850579531769154
Energy: 1.3350204682494564
Energy: 1.2990724572212045
Energy: 1.5467359221499595
Energy: 1.2990724572212045
Energy: 1.5467359221499595
Energy: 1.2990724572212045
Energy: 1.5467359221505221
Energy: 1.4101671552408377
Energy: 1.391310838082154
Energy: 1.4101671552414001
Energy: 1.3913108380815913
Energy: 1.4101671552408377
Energy: 1.3913108380815913
Energy: 1.4127777643863595
Energy: 1.3179998135951854
Energy: 1.4127777643863595
Energy: 1.3179998135951854
Energy: 1.4127777643863595
Energy: 1.3179998135951854
Energy: 1.365248522546915
Energy: 1.464803426385956
Energy: 1.365248522546915
Energy: 1.464803426385956
Energy: 1.36524852254804
Energy: 1.4648034263865186
Energy: 1.3206866685725778
Energy: 1.4944914840688102
Energy: 1.3206866685725778
Energy: 1.4144500941238367
Energy: 1.320686668572015
Energy: 1.4144500941238367
Energy: 1.422467294894132
Energy: 1.3193497124047593
Energy: 1.4224672948946946
Energy: 1.3193497124041969
Energy: 1.422467294894132
Energy: 1.3193497124041969
Energy: 1.407392776084056
Energy: 1.38608290520009
Energy: 1.4073927760846188
Energy: 1.3860829052006525
Energy: 1.407392776084056
Energy: 1.38608290520009
Energy: 1.297191991540037
Energy: 1.6070927956374643
Energy: 1.297191991540037
Energy: 1.6070927956374643
Energy: 1.297191991540037
Energy: 1.6070927956374643
Energy: 1.4702365337487315
Energy: 1.356607244121191
Energy: 1.4702365337453562
Energy: 1.356607244121191
Energy: 1.4702365337453562
Energy: 1.356607244121191
Energy: 1.3851350006939795
Energy: 1.3194454284735382
Energy: 1.3851350006939795
Energy: 1.3194454284735382
Energy: 1.385135000694542
Energy: 1.3194454284735382
Energy: 1.3602808695309567
Energy: 1.454235498279509
Energy: 1.3602808695309567
Energy: 1.454235498279509
Energy: 1.3602808695309567
Energy: 1.4542354982789465
Energy: 1.4584046487357278
Energy: 1.3668707550179784
Energy: 1.4584046487351652
Energy: 1.3668707550174157
Energy: 1.4584046487346027
Energy: 1.3668707550179784
Energy: 1.3849585021827746
Energy: 1.3380359625531768
Energy: 1.3849585021827746
Energy: 1.3380359625531768
Energy: 1.3849585021827746
Energy: 1.3380359625531768
Energy: 1.2991584075777634
Energy: 1.4779391470200596
Energy: 1.299158407577201
Energy: 1.4779391470189345
Energy: 1.2991584075783262
Energy: 1.4779391470194971
Energy: 1.3087446196309696
Energy: 1.389586508834731
Energy: 1.3087446196309696
Energy: 1.3895865088352934
Energy: 1.3087446196304071
Energy: 1.389586508834731
Energy: 1.4117400884453866
Energy: 1.3193851016911182
Energy: 1.4117400884453866
Energy: 1.3193851016899931
Energy: 1.411740088444824
Energy: 1.3193851016899931
Energy: 1.3898691022874627
Energy: 1.432832189632203
Energy: 1.3898691022869003
Energy: 1.432832189632203
Energy: 1.3898691022874627
Energy: 1.4328321896310778
Energy: 1.3177520703964325
Energy: 1.5913310530224114
Energy: 1.3177520703964325
Energy: 1.5913310530224114
Energy: 1.3177520703964325
Energy: 1.5913310530224114
Energy: 1.447166377562703
Energy: 1.3178299191308047
Energy: 1.447166377562703
Energy: 1.3178299191308047
Energy: 1.447166377564953
Energy: 1.3178299191308047
Energy: 1.4764009482857863
Energy: 1.3124207787436712
Energy: 1.4764009482857863
Energy: 1.3124207787436712
Energy: 1.4764009482852236
Energy: 1.3124207787436712
Energy: 1.2989841946368783
Energy: 1.4714697546374882
Energy: 1.2989841946368783
Energy: 1.4714697546374882
Energy: 1.2989841946368783
Energy: 1.4714697546380509
Energy: 1.5952825381797522
Energy: 1.3652440332884663
Energy: 1.5952825381797522
Energy: 1.3652440332884663
Energy: 1.5952825381791895
Energy: 1.3652440332884663
Energy: 1.3884933450908565
Energy: 1.3377985110469701
Energy: 1.3884933450908565
Energy: 1.3377985110469701
Energy: 1.3884933450908565
Energy: 1.3377985110469701
Energy: 1.3600916786288053
Energy: 1.4460156700477342
Energy: 1.3600916786288053
Energy: 1.4460156700471718
Energy: 1.3600916786288053
Energy: 1.4460156700471718
Energy: 1.3604729970172074
Energy: 1.3626264424733003
Energy: 1.3604729970172074
Energy: 1.3626264424733003
Energy: 1.3604729970172074
Energy: 1.3626264424738628
Energy: 1.4756159297291758
Energy: 1.3349137625764764
Energy: 1.4756159297291758
Energy: 1.3349137625764764
Energy: 1.4756159297291758
Energy: 1.334913762577039
Energy: 1.331571391441719
Energy: 1.445981245669523
Energy: 1.331571391441719
Energy: 1.445981245669523
Energy: 1.331571391441719
Energy: 1.445981245669523
Energy: 1.2972942697695944
Energy: 1.4142513276979896
Energy: 1.2972942697707195
Energy: 1.414251327697427
Energy: 1.297294269770157
Energy: 1.4142513276979896
Energy: 1.5110259662785928
Energy: 1.3176474479714753
Energy: 1.5110259662791554
Energy: 1.3176474479714753
Energy: 1.5110259662785928
Energy: 1.3176474479714753
Energy: 1.4713938320779956
Energy: 1.3449987944417499
Energy: 1.4713938320779956
Energy: 1.3449987944423123
Energy: 1.471393832077433
Energy: 1.3449987944423123

minimum gb energy = 1.297191991540037 eV
minimum distance =  2.29240021184282 Angstroms
sigma value = 33


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

Energy: 0.020516927161264967
Energy: 1.118011652081269
Energy: 0.020516927161264967
Energy: 1.118011652081269
Energy: 0.020516927161264967
Energy: 1.118011652082619
Energy: 0.02141958262054286
Energy: 0.4350018733111957
Energy: 0.021419582621010264
Energy: 0.4350018733111957
Energy: 0.02141958262054286
Energy: 0.4350018733111957
Energy: 1.1176341120042226
Energy: 0.4351663058095958
Energy: 1.117604379153521
Energy: 0.43516630682328633
Energy: 1.11759705023182
Energy: 0.43516629957409303
Energy: 0.02141958262054286
Energy: 0.4350018733111957
Energy: 0.02141958262054286
Energy: 0.4350018733111957
Energy: 0.02141958262054286
Energy: 0.4350018733111957

minimum gb energy = 0.020516927161264967 eV
minimum distance =  2.4840883002249 Angstroms
sigma value = 1