Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315671682358
cohesive_energy=3.540278409465544
mass=63.546
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: 0.013700276715676224
Energy: 0.7280891520395574
Energy: 0.013700276715676224
Energy: 0.7280891520395574
Energy: 0.013700276715676224
Energy: 0.7280891520395574
Energy: 0.7280891520395574
Energy: 0.8633323502617093
Energy: 0.7280891520395574
Energy: 0.8633323502611163
Energy: 0.7280891520395574
Energy: 0.8633323502620232
Energy: 0.013700276715990126
Energy: 0.7280891520395574
Energy: 0.013700276715990126
Energy: 0.7280891520395574
Energy: 0.013700276715676224
Energy: 0.7280891520395574
Energy: 0.7280891520395574
Energy: 0.8633323502611163
Energy: 0.7280891520395574
Energy: 0.8633323502614304
Energy: 0.7280891520395574
Energy: 0.8633323502614304
Energy: 0.013700276715676224
Energy: 0.7280891520395574
Energy: 0.013700276715676224
Energy: 0.7280891520395574
Energy: 0.013700276715676224
Energy: 0.7280891520395574
Energy: 0.7280891520395574
Energy: 0.8633323502620232
Energy: 0.7280891520395574
Energy: 0.8633323502617093
Energy: 0.7280891520395574
Energy: 0.8633323502614304

minimum gb energy = 0.013700276715676224 eV
minimum distance =  2.38923827965889 Angstroms
sigma value = 1


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

Energy: 0.9687631029283499
Energy: 1.163889632267241
Energy: 0.9687631029275943
Energy: 1.163889632267241
Energy: 0.9687631029291055
Energy: 1.1638896322664853
Energy: 1.1801278690730788
Energy: 0.9081776134992277
Energy: 1.1801278690730788
Energy: 0.9081776134999834
Energy: 1.1801278690730788
Energy: 0.9081776134999834
Energy: 0.9285838879537404
Energy: 1.2860972857837827
Energy: 0.9285838879529849
Energy: 1.2860972857837827
Energy: 0.9285838879529849
Energy: 1.2860972857837827
Energy: 1.2047753093137636
Energy: 0.9705701217647146
Energy: 1.2047753093137636
Energy: 0.9705701217647146
Energy: 1.2047753093137636
Energy: 0.9705701217647146
Energy: 1.008149396817492
Energy: 1.08212067363041
Energy: 1.008149396817492
Energy: 1.08212067363041
Energy: 1.008149396817492
Energy: 1.0821206736311655
Energy: 1.024504478844267
Energy: 0.9961713095344019
Energy: 1.0245044788450226
Energy: 0.9961713095344019
Energy: 1.024504478844267
Energy: 0.9961713095344019
Energy: 0.9869882141087228
Energy: 1.1236325519861419
Energy: 0.9869882141079672
Energy: 1.1236325519861419
Energy: 0.9869882141087228
Energy: 1.123632551985386
Energy: 0.9849752386586536
Energy: 1.2006255245032698
Energy: 0.9849752386578979
Energy: 1.2006255245032698
Energy: 0.9849752386578979
Energy: 1.2006255245032698
Energy: 1.0905386959552539
Energy: 0.9572627635681317
Energy: 1.0905386959552539
Energy: 0.9572627635696429
Energy: 1.0905386959544983
Energy: 0.9572627635688874
Energy: 0.9215026656434385
Energy: 1.1970475877136169
Energy: 0.921502665642683
Energy: 1.1970475877128612
Energy: 0.921502665642683
Energy: 1.1970475877128612
Energy: 1.2309503394475632
Energy: 0.8978717387654923
Energy: 1.2309503394468075
Energy: 0.8978717387654923
Energy: 1.2309503394468075
Energy: 0.8978717387654923
Energy: 0.8616976893772998
Energy: 1.278748450724625
Energy: 0.8616976893772998
Energy: 1.278748450724625
Energy: 0.8616976893772998
Energy: 1.278748450724625
Energy: 1.1991552907656275
Energy: 0.8897263583003387
Energy: 1.1991552907656275
Energy: 0.8897263583010943
Energy: 1.1991552907656275
Energy: 0.8897263583003387
Energy: 0.9339885696256907
Energy: 1.0685295709816918
Energy: 0.9339885696256907
Energy: 1.0685295709809361
Energy: 0.9339885696256907
Energy: 1.0685295709809361
Energy: 1.2219740132162145
Energy: 0.9315583429200458
Energy: 1.2219740132162145
Energy: 0.9315583429200458
Energy: 1.2219740132162145
Energy: 0.9315583429192903
Energy: 1.1612919039298737
Energy: 1.1562305394791141
Energy: 1.1612919039306293
Energy: 1.1562305394791141
Energy: 1.1612919039298737
Energy: 1.1562305394791141
Energy: 1.0615159210311484
Energy: 1.009416229495659
Energy: 1.0615159210311484
Energy: 1.0094162294964146
Energy: 1.0615159210311484
Energy: 1.009416229495659
Energy: 1.0965680927496981
Energy: 1.0110705945374512
Energy: 1.0965680927489425
Energy: 1.0110705945366956
Energy: 1.0965680927504535
Energy: 1.0110705945366956
Energy: 0.8766989147713901
Energy: 1.0642416656713312
Energy: 0.8766989147706346
Energy: 1.0642416656713312
Energy: 0.8766989147706346
Energy: 1.0642416656713312
Energy: 1.074448856295891
Energy: 0.9403419413792279
Energy: 1.074448856295891
Energy: 0.9403419413784723
Energy: 1.0744488562966465
Energy: 0.9403419413792279
Energy: 0.9113203450442252
Energy: 1.2887460682614513
Energy: 0.9113203450442252
Energy: 1.2887460682599745
Energy: 0.9113203450442252
Energy: 1.2887460682599745
Energy: 1.120547032574896
Energy: 0.9529484132845977
Energy: 1.1205470325756517
Energy: 0.9529484132845977
Energy: 1.120547032574896
Energy: 0.9529484132845977
Energy: 0.8677540527449242
Energy: 1.1775883605301636
Energy: 0.8677540527449242
Energy: 1.1775883605301636
Energy: 0.8677540527449242
Energy: 1.177588360529408

minimum gb energy = 0.8616976893772998 eV
minimum distance =  2.36254155659372 Angstroms
sigma value = 33


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

Energy: 1.1318208466535005
Energy: 1.1816318865329545
Energy: 1.1318208466535005
Energy: 1.1816318865329545
Energy: 1.1318208466535005
Energy: 1.1816318865329545
Energy: 1.2013908146137506
Energy: 0.975051203448024
Energy: 1.2013908146141805
Energy: 0.975051203448024
Energy: 1.2013908146141805
Energy: 0.9750512034484539
Energy: 0.923863087623415
Energy: 0.9634882229095814
Energy: 0.9238630876225555
Energy: 0.9634882229095814
Energy: 0.9238630876225555
Energy: 0.9634882229091517
Energy: 1.087491163070703
Energy: 1.0353303416617676
Energy: 1.0874911630711326
Energy: 1.0353303416621975
Energy: 1.0874911630711326
Energy: 1.0353303416617676
Energy: 1.0852120004671402
Energy: 1.1396342353862097
Energy: 1.0852120004671402
Energy: 1.13963423538578
Energy: 1.0852120004667105
Energy: 1.13963423538578
Energy: 0.9784650834805191
Energy: 0.9217183750076442
Energy: 0.9784650834800894
Energy: 0.9217183750068237
Energy: 0.9784650834796598
Energy: 0.9217183750072145
Energy: 1.103557549798611
Energy: 1.1165715860917835
Energy: 1.1035575497990409
Energy: 1.1165715860922134
Energy: 1.1035575497990409
Energy: 1.1165715860917835
Energy: 0.9030077727986621
Energy: 1.2294529711741735
Energy: 0.9030077727978024
Energy: 1.2294529711741735
Energy: 0.9030077727978024
Energy: 1.2294529711737439
Energy: 1.1025979067972262
Energy: 1.0041133074515256
Energy: 1.1025979067972262
Energy: 1.0041133074515256
Energy: 1.1025979067972262
Energy: 1.0041133074510957
Energy: 0.9006921925579219
Energy: 1.1702066704403058
Energy: 0.9006921925579219
Energy: 1.170206670440736
Energy: 0.900692192557492
Energy: 1.1702066704411656
Energy: 1.110612200919943
Energy: 0.9018382073289796
Energy: 1.110612200919943
Energy: 0.9018382073285497
Energy: 1.110612200919513
Energy: 0.9018382073285497
Energy: 0.9347902401826959
Energy: 1.0384091125096693
Energy: 0.9347902401826959
Energy: 1.0384091125092394
Energy: 0.9347902401831258
Energy: 1.0384091125083799
Energy: 1.2386608219362443
Energy: 0.8700085825363227
Energy: 1.2386608219358144
Energy: 0.8700085825363227
Energy: 1.2386608219366742
Energy: 0.8700085825363227
Energy: 1.077351444845424
Energy: 1.071409004764324
Energy: 1.077351444845424
Energy: 1.0714090047638944
Energy: 1.077351444845424
Energy: 1.0714090047638944
Energy: 1.2662233559435498
Energy: 1.066593001071563
Energy: 1.2662233559435498
Energy: 1.066593001071563
Energy: 1.2662233559435498
Energy: 1.0665930010711333
Energy: 1.0300949086506648
Energy: 0.9628212793510934
Energy: 1.0300949086506648
Energy: 0.9628212793519529
Energy: 1.0300949086506648
Energy: 0.9628212793515231
Energy: 0.9858038026178358
Energy: 1.001304356415003
Energy: 0.9858038026182655
Energy: 1.001304356415003
Energy: 0.9858038026182655
Energy: 1.001304356415003
Energy: 1.1733715512387857
Energy: 1.0228273440794695
Energy: 1.1733715512383562
Energy: 1.02282734407861
Energy: 1.1733715512387857
Energy: 1.02282734407861
Energy: 0.8853712340682394
Energy: 1.0961554778467388
Energy: 0.8853712340682394
Energy: 1.0961554778544749
Energy: 0.8853712340682394
Energy: 1.0961554778510365
Energy: 1.1564917911528834
Energy: 1.0781550001542726
Energy: 1.1564917911528834
Energy: 1.0781550001547022
Energy: 1.1564917911528834
Energy: 1.0781550001542726
Energy: 0.8810013484159042
Energy: 1.181161070078343
Energy: 0.881001348416334
Energy: 1.181161070078343
Energy: 0.8810013484159042
Energy: 1.181161070078343
Energy: 1.245537319688962
Energy: 0.9229688035751972
Energy: 1.2455373196893917
Energy: 0.9229688035747674
Energy: 1.2455373196893917
Energy: 0.9229688035747674
Energy: 0.8994499889429713
Energy: 1.1707948517476137
Energy: 0.8994499889434011
Energy: 1.1707948517489029
Energy: 0.8994499889434011
Energy: 1.1707948517476137
Energy: 1.1127690832196224
Energy: 0.9854360739065456
Energy: 1.1127690832200523
Energy: 0.9854360739065456
Energy: 1.1127690832196224
Energy: 0.9854360739061159
Energy: 0.9236922653769182
Energy: 0.91402747277777
Energy: 0.9236922653760586
Energy: 0.914027472775621
Energy: 0.9236922653764885
Energy: 0.9140274727751914
Energy: 1.1688867853459044
Energy: 1.1283892520050043
Energy: 1.1688867853454745
Energy: 1.1283892520050043
Energy: 1.1688867853459044
Energy: 1.1283892520032852
Energy: 1.2397764225959194
Energy: 1.0518228938911631
Energy: 1.2397764225963492
Energy: 1.0518228938907337
Energy: 1.2397764225963492
Energy: 1.0518228938907337
Energy: 1.020594023413777
Energy: 1.1434111963762654
Energy: 1.020594023413777
Energy: 1.1434111963766953
Energy: 1.020594023413777
Energy: 1.1434111963771254
Energy: 1.1928443517368708
Energy: 0.9488436783008172
Energy: 1.1928443517368708
Energy: 0.9488436783003874
Energy: 1.1928443517364409
Energy: 0.9488436783008172
Energy: 0.8995188429613495
Energy: 1.1088007431164755
Energy: 0.8995188429622091
Energy: 1.1088007431164755
Energy: 0.8995188429613495
Energy: 1.1088007431160456
Energy: 1.1961664846182103
Energy: 1.0042199023249894
Energy: 1.1961664846186402
Energy: 1.004219902325419
Energy: 1.1961664846182103
Energy: 1.004219902325419
Energy: 0.9658686753602589
Energy: 1.2352678440530114
Energy: 0.9658686753602589
Energy: 1.235267844053871
Energy: 0.9658686753602589
Energy: 1.2352678440530114
Energy: 1.1570823503784105
Energy: 1.078155892228477
Energy: 1.1570823503784105
Energy: 1.078155892228477
Energy: 1.1570823503788399
Energy: 1.078155892228477
Energy: 0.9702448507819542
Energy: 1.2190668743989959
Energy: 0.9702448507819542
Energy: 1.2190668743989959
Energy: 0.9702448507819542
Energy: 1.2190668743989959
Energy: 0.9628677049809548
Energy: 1.0301851150877355
Energy: 0.9628677049805251
Energy: 1.0301851150881651
Energy: 0.9628677049809548
Energy: 1.0301851150877355
Energy: 0.9800433073972026
Energy: 1.0229251115079183
Energy: 0.9800433073972026
Energy: 1.0229251115083482
Energy: 0.9800433073972026
Energy: 1.0229251115079183
Energy: 1.021431373739679
Energy: 1.1736349045202927
Energy: 1.0214313737401088
Energy: 1.173634904519863
Energy: 1.021431373739679
Energy: 1.1736349045202927
Energy: 1.086646263281049
Energy: 0.9079767586326861
Energy: 1.086646263281049
Energy: 0.9079767586326861
Energy: 1.086646263281049
Energy: 0.9079767586326861
Energy: 1.0774706945201644
Energy: 1.1216511956983153
Energy: 1.0774706945197345
Energy: 1.1216511956987452
Energy: 1.0774706945201644
Energy: 1.1216511956983153
Energy: 1.227206519968636
Energy: 0.8863327819938182
Energy: 1.227206519968636
Energy: 0.8863327819938182
Energy: 1.227206519968636
Energy: 0.8863327819942479
Energy: 0.922481701861107
Energy: 1.1310355826756564
Energy: 0.922481701861107
Energy: 1.1310355826756564
Energy: 0.922481701861107
Energy: 1.1310355826756564

minimum gb energy = 0.8700085825363227 eV
minimum distance =  2.39077705839765 Angstroms
sigma value = 51


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

Energy: 1.0624666365589999
Energy: 1.0975235710054803
Energy: 1.0624666365580042
Energy: 1.0975235710054803
Energy: 1.0624666365589999
Energy: 1.0975235710054803
Energy: 1.1307286032611212
Energy: 1.0066518266339863
Energy: 1.1307286032611212
Energy: 1.0066518266339863
Energy: 1.1307286032611212
Energy: 1.0066518266339863
Energy: 0.9443207713960834
Energy: 1.2663096569681966
Energy: 0.9443207713950876
Energy: 1.266309656967201
Energy: 0.9443207713960834
Energy: 1.2663096569681966
Energy: 0.9993368871555242
Energy: 0.9423373318668159
Energy: 0.9993368871555242
Energy: 0.9423373318668159
Energy: 0.9993368871555242
Energy: 0.9423373318668159
Energy: 1.0803326367138106
Energy: 1.0459080596408399
Energy: 1.0803326367138106
Energy: 1.0459080596408399
Energy: 1.0803326367138106
Energy: 1.0459080596408399
Energy: 1.1087246595521933
Energy: 1.0105411278109415
Energy: 1.1087246595521933
Energy: 1.0105411278109415
Energy: 1.1087246595521933
Energy: 1.0105411278119372
Energy: 0.9477697211013113
Energy: 1.0116864054666193
Energy: 0.9477697211013113
Energy: 1.0116864054666193
Energy: 0.9477697211013113
Energy: 1.0116864054666193
Energy: 0.9723445388066979
Energy: 1.050489119628841
Energy: 0.9723445388066979
Energy: 1.0504891196298367
Energy: 0.9723445388066979
Energy: 1.050489119628841
Energy: 1.1866448493037614
Energy: 0.9105063529899389
Energy: 1.1866448493037614
Energy: 0.9105063529899389
Energy: 1.1866448493037614
Energy: 0.9105063529899389
Energy: 0.9562708764774152
Energy: 1.2523763731530142
Energy: 0.9562708764774152
Energy: 1.2523763731530142
Energy: 0.9562708764774152
Energy: 1.2523763731530142
Energy: 1.1326870964460531
Energy: 0.9256430787276507
Energy: 1.1326870964460531
Energy: 0.9256430787276507
Energy: 1.1326870964460531
Energy: 0.9256430787276507
Energy: 1.0355121298164005
Energy: 1.11008155458732
Energy: 1.0355121298164005
Energy: 1.11008155458732
Energy: 1.0355121298164005
Energy: 1.11008155458732
Energy: 1.1849805937527387
Energy: 0.9883756481552595
Energy: 1.1849805937527387
Energy: 0.9883756481542637
Energy: 1.1849805937527387
Energy: 0.9883756481552595
Energy: 1.0301431310036968
Energy: 0.9934831071591601
Energy: 1.0301431310036968
Energy: 0.9934831071591601
Energy: 1.0301431310036968
Energy: 0.9934831071581645
Energy: 0.9608578356032057
Energy: 1.0069413150373396
Energy: 0.9608578356032057
Energy: 1.0069413150373396
Energy: 0.9608578356012141
Energy: 1.0069413150373396
Energy: 1.1311648336107536
Energy: 1.0104767690013006
Energy: 1.1311648336107536
Energy: 1.0104767689993088
Energy: 1.1311648336107536
Energy: 1.010476768998313
Energy: 1.051731596245008
Energy: 1.231717781346276
Energy: 1.051731596245008
Energy: 1.231717781346276
Energy: 1.051731596245008
Energy: 1.2317177813472722
Energy: 1.0038253905922008
Energy: 0.9866949248362744
Energy: 1.0038253905912051
Energy: 0.9866949248362744
Energy: 1.0038253905922008
Energy: 0.9866949248362744

minimum gb energy = 0.9105063529899389 eV
minimum distance =  2.30034359030122 Angstroms
sigma value = 19


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

Energy: 0.9196253006358637
Energy: 0.8939234588472968
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 1.0966785288554382
Energy: 1.03811287461882
Energy: 1.096678528856029
Energy: 1.03811287461882
Energy: 1.096678528856029
Energy: 1.0381128746194106
Energy: 0.779690586835849
Energy: 1.0512827592063676
Energy: 0.779690586835849
Energy: 1.0512827592063676
Energy: 0.779690586835849
Energy: 1.051282759205777
Energy: 0.887853656900335
Energy: 0.7797733703233027
Energy: 0.887853656900335
Energy: 0.7797733703233027
Energy: 0.887853656900335
Energy: 0.7797733703233027
Energy: 0.8419152165234766
Energy: 0.9038855255321179
Energy: 0.8419152165234766
Energy: 0.9038855255315271
Energy: 0.8419152165234766
Energy: 0.9038855255321179
Energy: 0.8415785345087136
Energy: 0.9038784427097116
Energy: 0.8415785345093043
Energy: 0.9038784427097116
Energy: 0.8415785345093043
Energy: 0.9038784427091209
Energy: 0.8878560144558922
Energy: 0.779787263313173
Energy: 0.8878560144558922
Energy: 0.7797872633125823
Energy: 0.8878560144558922
Energy: 0.779787263313173
Energy: 0.7797899130386928
Energy: 1.0512821859302093
Energy: 0.7797899130381022
Energy: 1.0512821859302093
Energy: 0.7797899130386928
Energy: 1.0512821859302093
Energy: 1.0967880685072136
Energy: 1.0382384480574096
Energy: 1.0967880685072136
Energy: 1.0382384480574096
Energy: 1.0967880685072136
Energy: 1.0382384480574096
Energy: 0.9196253006370451
Energy: 0.8939234588472968
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 1.0966785288554382
Energy: 1.0381128746194106
Energy: 1.0966785288554382
Energy: 1.0381128746194106
Energy: 1.096678528856029
Energy: 1.0381128746194106
Energy: 0.779690586835849
Energy: 1.051282759205777
Energy: 0.7796905868364398
Energy: 1.051282759205777
Energy: 0.779690586835849
Energy: 1.051282759205777
Energy: 0.8878536569009258
Energy: 0.7797733703227121
Energy: 0.887853656900335
Energy: 0.7797733703233027
Energy: 0.8878536569009258
Energy: 0.7797733703227121
Energy: 0.8419152165240672
Energy: 0.9038855255315271
Energy: 0.8419152165234766
Energy: 0.9038855255321179
Energy: 0.8419152165228858
Energy: 0.9038855255321179
Energy: 0.8415785345098951
Energy: 0.9038784427097116
Energy: 0.8415785345087136
Energy: 0.9038784427091209
Energy: 0.8415785345093043
Energy: 0.9038784427097116
Energy: 0.8878560144558922
Energy: 0.7797872633125823
Energy: 0.8878560144558922
Energy: 0.7797872633125823
Energy: 0.8878560144558922
Energy: 0.7797872633125823
Energy: 0.7797899130386928
Energy: 1.0512821859308
Energy: 0.7797899130386928
Energy: 1.0512821859308
Energy: 0.7797899130386928
Energy: 1.0512821859308
Energy: 1.096788068506623
Energy: 1.0382384480568188
Energy: 1.096788068506623
Energy: 1.0382384480568188
Energy: 1.096788068506623
Energy: 1.0382384480568188
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 0.9196253006358637
Energy: 0.8939234588472968
Energy: 1.0966785288554382
Energy: 1.0381128746194106
Energy: 1.0966785288554382
Energy: 1.038112874620001
Energy: 1.0966785288554382
Energy: 1.0381128746205919
Energy: 0.779690586835849
Energy: 1.051282759205186
Energy: 0.779690586835849
Energy: 1.051282759205186
Energy: 0.779690586835849
Energy: 1.051282759205186
Energy: 0.887853656900335
Energy: 0.7797733703233027
Energy: 0.887853656900335
Energy: 0.7797733703227121
Energy: 0.887853656900335
Energy: 0.7797733703233027
Energy: 0.8419152165234766
Energy: 0.9038855255315271
Energy: 0.8419152165234766
Energy: 0.9038855255315271
Energy: 0.8419152165234766
Energy: 0.9038855255315271
Energy: 0.8415785345087136
Energy: 0.9038784427097116
Energy: 0.8415785345087136
Energy: 0.9038784427097116
Energy: 0.8415785345093043
Energy: 0.9038784427097116
Energy: 0.8878560144558922
Energy: 0.779787263313173
Energy: 0.8878560144558922
Energy: 0.779787263313173
Energy: 0.8878560144558922
Energy: 0.7797872633125823
Energy: 0.7797899130386928
Energy: 1.0512821859302093
Energy: 0.7797899130381022
Energy: 1.0512821859296186
Energy: 0.7797899130386928
Energy: 1.0512821859296186
Energy: 1.096788068506623
Energy: 1.0382384480574096
Energy: 1.096788068506623
Energy: 1.0382384480574096
Energy: 1.096788068506623
Energy: 1.0382384480574096
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 0.9196253006364542
Energy: 0.8939234588472968
Energy: 1.0966785288554382
Energy: 1.0381128746194106
Energy: 1.0966785288554382
Energy: 1.03811287461882
Energy: 1.0966785288554382
Energy: 1.0381128746194106
Energy: 0.779690586835849
Energy: 1.051282759205777
Energy: 0.779690586835849
Energy: 1.0512827592063676
Energy: 0.779690586835849
Energy: 1.051282759205777

minimum gb energy = 0.779690586835849 eV
minimum distance =  2.31320290572825 Angstroms
sigma value = 27


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

Energy: 0.8361939263240162
Energy: 0.7991279582296802
Energy: 0.8361939263240162
Energy: 0.7991279582296802
Energy: 0.8361939263240162
Energy: 0.7991279582296802
Energy: 1.0608820696299701
Energy: 0.8291787153144802
Energy: 1.0608820696299701
Energy: 0.8291787153144802
Energy: 1.0608820696299701
Energy: 0.8291787153144802
Energy: 0.7637896039318988
Energy: 1.075571998135493
Energy: 0.7637896039318988
Energy: 1.075571998135493
Energy: 0.7637896039318988
Energy: 1.075571998135493
Energy: 1.0224842251619979
Energy: 0.7693519282017526
Energy: 1.0224842251619979
Energy: 0.7693519282017526
Energy: 1.0224842251619979
Energy: 0.7693519282017526
Energy: 1.131357048460767
Energy: 0.7667086088119153
Energy: 1.131357048460767
Energy: 0.7667086088119153
Energy: 1.131357048460767
Energy: 0.7667086088119153
Energy: 0.8775049550615001
Energy: 1.000099999066013
Energy: 0.8775049550615001
Energy: 1.000099999066013
Energy: 0.8775049550629468
Energy: 1.000099999066013
Energy: 0.7677049063104818
Energy: 0.8307110466933932
Energy: 0.7677049063104818
Energy: 0.8307110466933932
Energy: 0.7677049063104818
Energy: 0.8307110466933932
Energy: 0.8335690962554937
Energy: 0.8018454863773272
Energy: 0.8335690962554937
Energy: 0.8018454863773272
Energy: 0.8335690962554937
Energy: 0.8018454863773272
Energy: 0.8626677776954207
Energy: 0.8498465565894413
Energy: 0.8626677776983143
Energy: 0.8498465565619838
Energy: 0.8626677776968675
Energy: 0.8498465566096972
Energy: 0.9254879929695045
Energy: 0.8915537400074056
Energy: 0.9254879929695045
Energy: 0.8915537400074056
Energy: 0.9254879929695045
Energy: 0.8915537400088523
Energy: 0.9162405884409246
Energy: 0.7959272444663782
Energy: 0.9162405884409246
Energy: 0.7959272444663782
Energy: 0.8455618194253776
Energy: 0.7959272444663782
Energy: 1.013972949621533
Energy: 0.8604634914903881
Energy: 1.013972949621533
Energy: 0.8604634914903881
Energy: 1.013972949621533
Energy: 0.8604634914903881

minimum gb energy = 0.7637896039318988 eV
minimum distance =  2.29870351954611 Angstroms
sigma value = 9


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

Energy: 0.7522969422467404
Energy: 0.8948692184004012
Energy: 0.7522969422463338
Energy: 0.8948692184012143
Energy: 0.7522969422475535
Energy: 0.8948692184004012
Energy: 1.016842806396803
Energy: 0.9147758512851885
Energy: 1.0168428063817982
Energy: 0.7995649680603174
Energy: 1.0168428063769197
Energy: 0.859377272420839
Energy: 0.7074582226687514
Energy: 1.1822938358337283
Energy: 0.7074582226691578
Energy: 1.1822938358337283
Energy: 0.7074582226695644
Energy: 1.1822938358345414
Energy: 0.7010011940045611
Energy: 0.6910049950152846
Energy: 0.7010011940045611
Energy: 0.6910049950156911
Energy: 0.7010011940049676
Energy: 0.6910049950156911
Energy: 0.8178249856167384
Energy: 0.8357614142062999
Energy: 0.8178249856167384
Energy: 0.8357614142062999
Energy: 0.8178249856159253
Energy: 0.8357614142062999
Energy: 0.7348165467595709
Energy: 0.8019865369436018
Energy: 0.7348165467583513
Energy: 0.7972335213518373
Energy: 0.7348165467599774
Energy: 0.7972335212551195
Energy: 0.7101670130986747
Energy: 0.849992600646043
Energy: 0.7101670130990813
Energy: 0.849992600646043
Energy: 0.7101670130998943
Energy: 0.8499926006456364
Energy: 0.6760253056586579
Energy: 0.8583818168532232
Energy: 0.6760253056582515
Energy: 0.8583818168540363
Energy: 0.6760253056586579
Energy: 0.8583818168532232
Energy: 1.1997162589388617
Energy: 0.8629281395169477
Energy: 1.1997162589384553
Energy: 0.8629281395169477
Energy: 1.1997162589384553
Energy: 0.8629281395169477
Energy: 0.8758394279469162
Energy: 1.0100195152796736
Energy: 0.8758394279469162
Energy: 1.0100195152780476
Energy: 0.8758394279465097
Energy: 1.0100195152776408
Energy: 0.7005983373577691
Energy: 0.6945693943403882
Energy: 0.700598337356956
Energy: 0.6945693943403882
Energy: 0.7005983373577691
Energy: 0.6945693943403882
Energy: 0.7795513066915444
Energy: 0.809638080745219
Energy: 0.7795513066923574
Energy: 0.8096380807472517
Energy: 0.7795513066923574
Energy: 0.8096380807464387
Energy: 0.7315649151667751
Energy: 0.7320013045455698
Energy: 0.7315649151679947
Energy: 0.7320013045459762
Energy: 0.7315649151667751
Energy: 0.7320013045459762
Energy: 0.7490770012081084
Energy: 1.083304903820899
Energy: 0.7490770012097345
Energy: 1.083304903820086
Energy: 0.7490770012089215
Energy: 1.083304903820086
Energy: 0.6804191998149287
Energy: 0.8538028517358215
Energy: 0.6804191998149287
Energy: 0.8538028517358215
Energy: 0.6804191998157417
Energy: 0.853802851735415
Energy: 1.0244124781692265
Energy: 0.7399365576362689
Energy: 1.0244124781696329
Energy: 0.7399365575521537
Energy: 1.0244124781696329
Energy: 0.7399365577305473
Energy: 0.9214161042706842
Energy: 0.8931651250327315
Energy: 0.9214161042698711
Energy: 0.8931651250388295
Energy: 0.9214161042702776
Energy: 0.8931651250298858
Energy: 0.68693105968178
Energy: 0.8911140682622097
Energy: 0.6869310596821866
Energy: 0.8911140682626161
Energy: 0.68693105968178
Energy: 0.8911140682622097
Energy: 0.6636888686626312
Energy: 0.9841891448666863
Energy: 0.6636888686630378
Energy: 0.9841891448662797
Energy: 0.6636888686626312
Energy: 0.9841891448666863
Energy: 0.9521662508418618
Energy: 0.8428904433407434
Energy: 0.9521662508414553
Energy: 0.8428904433403368
Energy: 0.9521662508418618
Energy: 0.8428904433399302
Energy: 0.6637851219928212
Energy: 0.9841756530260727
Energy: 0.6637851219924148
Energy: 0.9841756530260727
Energy: 0.6637851219928212
Energy: 0.9841756530260727
Energy: 0.686974409024368
Energy: 0.8909098198188246
Energy: 0.6869744090231484
Energy: 0.8909098198192311
Energy: 0.686974409024368
Energy: 0.8909098198192311
Energy: 1.023977332526578
Energy: 0.8929738261954812
Energy: 1.0239773325261716
Energy: 0.8929738262145512
Energy: 1.023977332526578
Energy: 0.8929738262178035
Energy: 1.024459690737663
Energy: 0.7346783634478372
Energy: 1.0244596907372567
Energy: 0.7346783634470242
Energy: 1.0244596907380699
Energy: 0.7346783634462111
Energy: 0.6802504050251915
Energy: 0.8536809294196721
Energy: 0.6802504050251915
Energy: 0.8536809294200787
Energy: 0.6802504050247851
Energy: 0.8536809294200787
Energy: 0.7490976573749489
Energy: 0.8964863142877614
Energy: 0.7490976573749489
Energy: 0.8964863142873548
Energy: 0.7490976573749489
Energy: 0.8964863142873548
Energy: 0.7308079320900331
Energy: 0.7318563687225339
Energy: 0.730807932090846
Energy: 0.7318563687229405
Energy: 0.730807932090846
Energy: 0.7318563687229405
Energy: 0.7797449064054741
Energy: 0.7204217201430902
Energy: 0.7797449064071004
Energy: 0.7204217201439034
Energy: 0.7797449064058807
Energy: 0.7204217201447164
Energy: 0.7006900941544804
Energy: 0.6946730804055053
Energy: 0.7006900941540737
Energy: 0.6946730804055053
Energy: 0.7006900941540737
Energy: 0.6946730804055053
Energy: 0.8757756335835423
Energy: 1.0288220807222863
Energy: 0.8757756335839487
Energy: 1.0288220807222863
Energy: 0.8757756335839487
Energy: 1.0288220807230994
Energy: 1.2021800949344754
Energy: 0.862702450868192
Energy: 1.2021800949344754
Energy: 0.8627024508690051
Energy: 1.2021800949348822
Energy: 0.862702450868192
Energy: 0.6760684153106448
Energy: 0.8587418660671975
Energy: 0.6760684153110513
Energy: 0.8587418660667909
Energy: 0.6760684153106448
Energy: 0.8587418660663844
Energy: 0.7104454362379784
Energy: 0.8435600327803188
Energy: 0.7104454362375718
Energy: 0.8435600327795058
Energy: 0.7104454362396045
Energy: 0.8435600327795058
Energy: 0.7347446818613479
Energy: 0.7454841818296157
Energy: 0.7347446818706982
Energy: 0.7454841818288026
Energy: 0.7347446818702917
Energy: 0.7454841818292092
Energy: 0.817878487696748
Energy: 0.8359791582067787
Energy: 0.8178784876963415
Energy: 0.8359791582079984
Energy: 0.817878487696748
Energy: 0.8359791582071853
Energy: 0.7010433887496156
Energy: 0.6907280949455297
Energy: 0.7010433887496156
Energy: 0.6907280949459362
Energy: 0.7010433887500221
Energy: 0.6907280949459362
Energy: 0.7074100603938206
Energy: 1.1851826553248643
Energy: 0.7074100603938206
Energy: 1.1851826553244575
Energy: 0.707410060394227
Energy: 1.185182655324051
Energy: 1.01684524985866
Energy: 0.7228060179803792
Energy: 1.01684524985744
Energy: 0.7228060179807857
Energy: 1.016845249855814
Energy: 0.7228060179807857
Energy: 0.7522969422475535
Energy: 0.8948692184016208
Energy: 0.7522969422471468
Energy: 0.8948692184016208
Energy: 0.7522969422471468
Energy: 0.8948692184012143
Energy: 1.01684280639599
Energy: 0.7995649680595044
Energy: 1.0168428063712283
Energy: 0.7995649680595044
Energy: 1.0168428063813917
Energy: 0.7995649680595044
Energy: 0.7074582226687514
Energy: 1.182293835833322
Energy: 0.7074582226691578
Energy: 1.1822938358337283
Energy: 0.7074582226691578
Energy: 1.182293835833322
Energy: 0.7010011940057806
Energy: 0.6910049950177237
Energy: 0.7010011940049676
Energy: 0.6910049950173172
Energy: 0.7010011940049676
Energy: 0.6910049950177237
Energy: 0.8178249856171449
Energy: 0.8357614142067065
Energy: 0.8178249856167384
Energy: 0.8357614142071129
Energy: 0.8178249856167384
Energy: 0.8357614142067065

minimum gb energy = 0.6636888686626312 eV
minimum distance =  2.36883739415186 Angstroms
sigma value = 57


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

Energy: 0.30204802622957044
Energy: 0.3099660314011547
Energy: 0.30204802623049587
Energy: 0.3099660314011547
Energy: 0.30204802622957044
Energy: 0.3099660314011547
Energy: 0.39002682007113054
Energy: 0.9917521392317121
Energy: 0.390026820072056
Energy: 0.9917521392307868
Energy: 0.39002682007113054
Energy: 0.9917521392307868
Energy: 0.34455059210809763
Energy: 0.9427156199771037
Energy: 0.34455059210809763
Energy: 0.9427156199761784
Energy: 0.34455059210809763
Energy: 0.9427156199761784
Energy: 0.31164239912004715
Energy: 0.3019306729644071
Energy: 0.31164239912004715
Energy: 0.30193067296533255
Energy: 0.31164239912004715
Energy: 0.30193067296533255
Energy: 0.3911485298295362
Energy: 0.3959050567451546
Energy: 0.3911485298295362
Energy: 0.3959050567451546
Energy: 0.3911485298304616
Energy: 0.3959050567451546
Energy: 0.302060828089523
Energy: 1.15550570349178
Energy: 0.30206082808859763
Energy: 1.15550570349178
Energy: 0.302060828089523
Energy: 1.15550570349178
Energy: 0.30208225415336265
Energy: 1.1553533482732143
Energy: 0.30208225415336265
Energy: 1.1553533482732143
Energy: 0.30208225415336265
Energy: 1.1553533482732143
Energy: 0.3897745683059726
Energy: 0.3958100075743159
Energy: 0.3897745683059726
Energy: 0.3958100075743159
Energy: 0.3897745683059726
Energy: 0.3958100075743159
Energy: 0.3116273047289012
Energy: 0.30192162198166816
Energy: 0.311627304730752
Energy: 0.30192162198166816
Energy: 0.3116273047298266
Energy: 0.3019216219807428
Energy: 0.3445604210322552
Energy: 0.9427492239493189
Energy: 0.3445604210313298
Energy: 0.9427492239493189
Energy: 0.3445604210313298
Energy: 0.9427492239493189
Energy: 0.3899054209323754
Energy: 0.9915798356768175
Energy: 0.3899054209323754
Energy: 0.9915798356768175
Energy: 0.3899054209323754
Energy: 0.9915798356768175
Energy: 0.30204802622957044
Energy: 0.3099660314011547
Energy: 0.30204802623049587
Energy: 0.3099660314011547
Energy: 0.30204802622957044
Energy: 0.3099660314011547
Energy: 0.390026820072056
Energy: 0.9917521392307868
Energy: 0.390026820072056
Energy: 0.9917521392307868
Energy: 0.390026820072056
Energy: 0.9917521392298614
Energy: 0.34455059210809763
Energy: 0.9427156199761784
Energy: 0.34455059210809763
Energy: 0.9427156199761784
Energy: 0.34455059210809763
Energy: 0.9427156199761784
Energy: 0.31164239912004715
Energy: 0.30193067296533255
Energy: 0.31164239912004715
Energy: 0.30193067296533255
Energy: 0.31164239912097264
Energy: 0.3019306729644071
Energy: 0.3911485298304616
Energy: 0.3959050567451546
Energy: 0.3911485298295362
Energy: 0.3959050567451546
Energy: 0.3911485298295362
Energy: 0.3959050567451546
Energy: 0.302060828089523
Energy: 1.15550570349178
Energy: 0.302060828089523
Energy: 1.15550570349178
Energy: 0.302060828089523
Energy: 1.1555057034927054
Energy: 0.30208225415336265
Energy: 1.1553533482732143
Energy: 0.30208225415336265
Energy: 1.1553533482732143
Energy: 0.30208225415336265
Energy: 1.1553533482732143
Energy: 0.389774568306898
Energy: 0.3958100075743159
Energy: 0.3897745683059726
Energy: 0.39581000757339047
Energy: 0.3897745683059726
Energy: 0.3958100075743159

minimum gb energy = 0.3019216219807428 eV
minimum distance =  2.45039558177624 Angstroms
sigma value = 11


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

Energy: 0.6507269176971133
Energy: 0.7535504739853359
Energy: 0.6507269176971133
Energy: 0.7535504739853359
Energy: 0.6507269176971133
Energy: 0.7535504739860137
Energy: 0.7871908709177641
Energy: 0.7297373455088079
Energy: 0.7871908709170862
Energy: 0.7297373455088079
Energy: 0.7871908709170862
Energy: 0.72973734550813
Energy: 0.907353492513562
Energy: 1.0661940614166427
Energy: 0.8748705271544801
Energy: 1.0661940614166427
Energy: 0.8748705271544801
Energy: 1.0661940614132535
Energy: 0.9725376748534981
Energy: 0.6211878852542214
Energy: 0.9725376748521422
Energy: 0.6211878852542214
Energy: 0.9725376748514643
Energy: 0.6211878852542214
Energy: 0.7390504400160336
Energy: 0.5493383546359156
Energy: 0.7390504400167115
Energy: 0.5493383546365934
Energy: 0.7390504400160336
Energy: 0.5493383546365934
Energy: 0.6909643146297808
Energy: 0.8002973932295195
Energy: 0.6909643146304587
Energy: 0.8002973932295195
Energy: 0.6909643146304587
Energy: 0.8002973932288416
Energy: 0.5477551748879619
Energy: 0.8012352486829906
Energy: 0.5477551748879619
Energy: 0.8012352486938366
Energy: 0.5477551748879619
Energy: 0.8012352486836682
Energy: 0.7536198883453187
Energy: 0.5245948646958514
Energy: 0.7536198883453187
Energy: 0.5245948646958514
Energy: 0.7536198883453187
Energy: 0.5245948646951735
Energy: 0.748971822171818
Energy: 0.5412204378092345
Energy: 0.748971822171818
Energy: 0.5412204378092345
Energy: 0.748971822171818
Energy: 0.5412204378092345
Energy: 0.5385619745794399
Energy: 1.044491436120918
Energy: 0.5385619745794399
Energy: 1.0444914361202402
Energy: 0.5385619745801178
Energy: 1.044491436120918
Energy: 0.6979931902343682
Energy: 1.0273869905726698
Energy: 0.6979931902343682
Energy: 1.0273869905726698
Energy: 0.6979931902357239
Energy: 1.0273869905726698
Energy: 0.7439530232264193
Energy: 0.5515564138377026
Energy: 0.7439530232264193
Energy: 0.5515564138377026
Energy: 0.7439530232264193
Energy: 0.5515564138370247
Energy: 0.7590760127163184
Energy: 0.6206725098230673
Energy: 0.7590760127163184
Energy: 0.6206725098230673
Energy: 0.7590760127163184
Energy: 0.6206725098230673
Energy: 0.8236907752511524
Energy: 0.9511814971488405
Energy: 0.8236907752497968
Energy: 0.9511814971481625
Energy: 0.8236907752497968
Energy: 0.9511814971488405
Energy: 0.7891319573711331
Energy: 0.726676337824968
Energy: 0.7891319573711331
Energy: 0.726676337824968
Energy: 0.789131957370455
Energy: 0.726676337824968
Energy: 0.651430235225423
Energy: 0.7541058332505213
Energy: 0.6514302352261008
Energy: 0.7541058332505213
Energy: 0.651430235225423
Energy: 0.7541058332505213
Energy: 0.6517996336188723
Energy: 0.7460306773590086
Energy: 0.6517996336188723
Energy: 0.7460306773590086
Energy: 0.6517996336195501
Energy: 0.7460306773590086
Energy: 0.9490174466107457
Energy: 0.8438097510494148
Energy: 0.9490174466114237
Energy: 0.8438097510494148
Energy: 0.9490174466114237
Energy: 0.8438097510500925
Energy: 0.9815762101811591
Energy: 0.5735384031377744
Energy: 0.9815762101811591
Energy: 0.5735384031384523
Energy: 0.9815762101811591
Energy: 0.5735384031384523
Energy: 0.7437580603544895
Energy: 0.6492341727833059
Energy: 0.7437580603551674
Energy: 0.6492341727839838
Energy: 0.7437580603551674
Energy: 0.6492341727839838
Energy: 0.5382280400428069
Energy: 0.755162903230113
Energy: 0.5382280400434848
Energy: 0.7551629032294352
Energy: 0.5382280400428069
Energy: 0.755162903230113
Energy: 0.748359683100897
Energy: 0.8015303170175708
Energy: 0.7483596831042864
Energy: 0.8015303170162149
Energy: 0.7483596831015747
Energy: 0.8015303170168928
Energy: 0.7543985105401173
Energy: 0.6639661013180456
Energy: 0.7543985105401173
Energy: 0.6639661013180456
Energy: 0.7543985105401173
Energy: 0.6639661013173677
Energy: 0.7501969411289636
Energy: 0.639964764153014
Energy: 0.7501969411296414
Energy: 0.6399647641536919
Energy: 0.7501969411296414
Energy: 0.6399647641543698
Energy: 0.5385211694516261
Energy: 1.0253512435226324
Energy: 0.5385211694502703
Energy: 1.0253512435239882
Energy: 0.5385211694509481
Energy: 1.0253512435246661
Energy: 1.198223929458702
Energy: 1.016923109503772
Energy: 1.19822392945938
Energy: 1.016923109503772
Energy: 1.198223929458702
Energy: 1.016923109503772

minimum gb energy = 0.5245948646951735 eV
minimum distance =  2.36054696093225 Angstroms
sigma value = 41


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

Energy: 0.7412276444463346
Energy: 0.6390614167034547
Energy: 0.7412276444458004
Energy: 0.6390614167034547
Energy: 0.7412276444463346
Energy: 0.6390614167034547
Energy: 0.8129915914083427
Energy: 0.9158741282229285
Energy: 0.8129915914072742
Energy: 0.9158741282223944
Energy: 0.8129915914072742
Energy: 0.9158741282223944
Energy: 1.068761928898647
Energy: 1.2070070394520445
Energy: 1.068761928898647
Energy: 1.2070070394520445
Energy: 1.068761928898647
Energy: 1.2070070394520445
Energy: 0.7899403291503428
Energy: 0.636002508463437
Energy: 0.7899403291508772
Energy: 0.6360025084639712
Energy: 0.7899403291508772
Energy: 0.6360025084639712
Energy: 0.5926179244037331
Energy: 0.6423776532133904
Energy: 0.5926179244031988
Energy: 0.6423776532139246
Energy: 0.5926179244037331
Energy: 0.6423776532139246
Energy: 0.7946531034701771
Energy: 0.9222332893859269
Energy: 0.7946531034696429
Energy: 0.9222332893859269
Energy: 0.7946531034685986
Energy: 0.9222332893859269
Energy: 0.610999738635429
Energy: 0.9796177866700186
Energy: 0.6109997386359632
Energy: 0.9796177866700186
Energy: 0.610999738635429
Energy: 0.9796177866700186
Energy: 0.6038898385444794
Energy: 0.6361963554399708
Energy: 0.6038898385444794
Energy: 0.6361963554399708
Energy: 0.6038898385450138
Energy: 0.6361963554399708
Energy: 0.6042383803895298
Energy: 0.6350280601702339
Energy: 0.6042383803900642
Energy: 0.6350280601702339
Energy: 0.6042383803895298
Energy: 0.6350280601702339
Energy: 0.659786904827013
Energy: 1.0926474016453924
Energy: 0.6597869048286158
Energy: 1.0926474016453924
Energy: 0.6597869048280814
Energy: 1.0926474016459267
Energy: 0.6593648593630889
Energy: 1.0674392214012058
Energy: 0.6593648593614859
Energy: 1.0674392214012058
Energy: 0.6593648593630889
Energy: 1.0674392214012058
Energy: 0.6153697906763721
Energy: 0.7544379202170279
Energy: 0.6153697906758379
Energy: 0.7544379202170279
Energy: 0.6153697906758379
Energy: 0.7544379202170279
Energy: 0.595833196911659
Energy: 0.6265479223534758
Energy: 0.595833196911659
Energy: 0.6265479223534758
Energy: 0.5958331969121934
Energy: 0.6265479223534758
Energy: 0.5682131336212077
Energy: 1.2992922362876935
Energy: 0.5682131336212077
Energy: 1.2992922362882278
Energy: 0.5682131336217421
Energy: 1.2992922362882278
Energy: 0.7911847098443369
Energy: 0.9965244388183696
Energy: 0.7911847098448711
Energy: 0.9965244388183696
Energy: 0.7911847098448711
Energy: 0.9965244388183696
Energy: 0.60171776932574
Energy: 0.7706250296809873
Energy: 0.60171776932574
Energy: 0.7706250296809873
Energy: 0.60171776932574
Energy: 0.7706250296809873
Energy: 0.617861004428623
Energy: 0.6262853027230568
Energy: 0.617861004428623
Energy: 0.6262853027230568
Energy: 0.617861004428623
Energy: 0.6262853027235912
Energy: 0.8731473261208283
Energy: 1.2408323370537828
Energy: 0.8731473261213626
Energy: 1.240832337054317
Energy: 0.8731473261213626
Energy: 1.2408323370537828
Energy: 0.8136512953323677
Energy: 0.8620599729218875
Energy: 0.8136512953323677
Energy: 0.862059972922422
Energy: 0.8136512953323677
Energy: 0.8620599729218875
Energy: 0.7338582901617299
Energy: 0.7717561369777333
Energy: 0.7338582901617299
Energy: 0.7717561369841447
Energy: 0.7338582901617299
Energy: 0.7717561369782675
Energy: 0.6016502456857507
Energy: 0.9113083099873103
Energy: 0.6016502456857507
Energy: 0.9113083099867763
Energy: 0.6016502456857507
Energy: 0.9113083099867763
Energy: 1.0668969077576058
Energy: 1.1061470078645672
Energy: 1.0668969077576058
Energy: 1.1061470078634985
Energy: 1.0668969077576058
Energy: 1.1061470078645672
Energy: 0.8068342310176699
Energy: 0.6091315055666782
Energy: 0.8068342310171357
Energy: 0.6091315055672124
Energy: 0.8068342310176699
Energy: 0.6091315055672124
Energy: 0.6018394383955236
Energy: 0.7742196531759579
Energy: 0.6018394383955236
Energy: 0.7742196531754236
Energy: 0.6018394383960578
Energy: 0.7742196531754236
Energy: 0.5807622963967266
Energy: 0.9329002547539056
Energy: 0.5807622963967266
Energy: 0.9329002547539056
Energy: 0.5807622963961923
Energy: 0.9329002547539056
Energy: 0.6096173108935484
Energy: 0.9543928384359209
Energy: 0.6096173108930142
Energy: 0.9543928384359209
Energy: 0.6096173108930142
Energy: 0.9543928384359209
Energy: 0.591570615998795
Energy: 0.6089140530563987
Energy: 0.5915706159993293
Energy: 0.6089140530563987
Energy: 0.591570615998285
Energy: 0.6089140530558643
Energy: 0.6042311199881701
Energy: 0.7674395335009561
Energy: 0.6042311199887045
Energy: 0.7674395335009561
Energy: 0.6042311199881701
Energy: 0.7674395335014905
Energy: 0.7347340631215287
Energy: 0.91609989970703
Energy: 0.7347340631220629
Energy: 0.91609989970703
Energy: 0.7347340631220629
Energy: 0.91609989970703
Energy: 0.8978818129932629
Energy: 0.9437237300532071
Energy: 0.8978818129932629
Energy: 0.9437237300532071
Energy: 0.8978818129916601
Energy: 0.9437237300532071
Energy: 0.5894518195704015
Energy: 0.7466267361084828
Energy: 0.5894518195704015
Energy: 0.7466267361090172
Energy: 0.5894518195704015
Energy: 0.7466267361090172
Energy: 0.621899718261543
Energy: 0.7173423787193469
Energy: 0.621899718261543
Energy: 0.7173423787198812
Energy: 0.621899718261543
Energy: 0.7173423787198812
Energy: 0.5808852206465261
Energy: 0.7663948753009955
Energy: 0.5808852206459917
Energy: 0.7663948753004612
Energy: 0.5808852206465261
Energy: 0.7663948753004612

minimum gb energy = 0.5682131336212077 eV
minimum distance =  2.3958574334118 Angstroms
sigma value = 33


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

Energy: 0.7000288900807269
Energy: 0.6533359824209105
Energy: 0.7000288900784772
Energy: 0.6533359824212854
Energy: 0.7000288900781022
Energy: 0.6533359824216604
Energy: 0.9890637672581829
Energy: 0.6226195022572409
Energy: 0.9890637672585578
Energy: 0.622619502257616
Energy: 0.9890637672578079
Energy: 0.6226195022572409
Energy: 1.105491920405968
Energy: 0.9515622628338802
Energy: 1.1054919204055933
Energy: 0.9515622628323804
Energy: 1.1054919204055933
Energy: 0.9515622628331303
Energy: 0.9524638672685426
Energy: 0.6339484885928651
Energy: 0.9524638672689177
Energy: 0.6339484885928651
Energy: 0.9524638672692926
Energy: 0.6339484885928651
Energy: 0.6458632584068894
Energy: 1.1043426801098766
Energy: 0.6458632584061395
Energy: 1.1043426801098766
Energy: 0.6458632584057645
Energy: 1.1043426801098766
Energy: 0.9578232091102021
Energy: 0.6518654849532339
Energy: 0.9578232091098273
Energy: 0.6518654849517339
Energy: 0.9578232091102021
Energy: 0.6518654849532339
Energy: 0.6665020454928604
Energy: 0.7378661589349254
Energy: 0.6665020454939852
Energy: 0.7378661589356753
Energy: 0.6665020454939852
Energy: 0.7378661589356753
Energy: 0.743259055930944
Energy: 0.8059221512780713
Energy: 0.743259055930569
Energy: 0.8059221512784465
Energy: 0.743259055930944
Energy: 0.8059221512784465
Energy: 1.104151514758607
Energy: 0.6695754805932438
Energy: 1.104151514758607
Energy: 0.6695754805932438
Energy: 1.104151514758232
Energy: 0.6695754805921189
Energy: 1.0029275867764054
Energy: 0.6413362735763234
Energy: 1.0029275867737808
Energy: 0.6413362735763234
Energy: 1.0029275867767806
Energy: 0.6413362735763234
Energy: 0.6968066301044327
Energy: 0.6935609461770262
Energy: 0.6968066301036827
Energy: 0.6935609461766514
Energy: 0.6968066301036827
Energy: 0.6935609461762764
Energy: 1.1271125868187974
Energy: 0.6332193844247851
Energy: 1.1271125868180476
Energy: 0.6332193844251601
Energy: 1.1271125868180476
Energy: 0.6332193844244103
Energy: 0.6707639158282375
Energy: 1.1033218582087576
Energy: 0.6707639158278625
Energy: 1.1033218582080078
Energy: 0.6707639158278625
Energy: 1.1033218582087576
Energy: 0.8094487359074453
Energy: 0.7435578263884962
Energy: 0.8094487359070704
Energy: 0.743557826389996
Energy: 0.8094487359074453
Energy: 0.7435578263892461
Energy: 0.7180417261989376
Energy: 0.6608584054206836
Energy: 0.7180417262112774
Energy: 0.6608584054236832
Energy: 0.7180417262082777
Energy: 0.6608584054206836
Energy: 0.6875033741683556
Energy: 0.9645976305760247
Energy: 0.6875033741683556
Energy: 0.9645976305756495
Energy: 0.6875033741687306
Energy: 0.9645976305756495
Energy: 1.1144130190390558
Energy: 0.6468722904374357
Energy: 1.114413019038681
Energy: 0.6468722904359357
Energy: 1.114413019038681
Energy: 0.6468722904355608
Energy: 0.6318442621420837
Energy: 0.9538560491044247
Energy: 0.6318442621417087
Energy: 0.9538560491047997
Energy: 0.6318442621420837
Energy: 0.9538560491047997
Energy: 1.0000351615522558
Energy: 1.1024948827696908
Energy: 1.0000351615533807
Energy: 1.1024948827696908
Energy: 1.0000351615530059
Energy: 1.1024948827696908
Energy: 1.1117696681986788
Energy: 0.6735377212080385
Energy: 1.1117696681990539
Energy: 0.6735377212080385
Energy: 1.1117696681986788
Energy: 0.6735377212080385
Energy: 0.6324266025602744
Energy: 0.7111140965960268
Energy: 0.6324266025602744
Energy: 0.7111140965967766
Energy: 0.6324266025621493
Energy: 0.7111140965967766
Energy: 0.6213446595981451
Energy: 1.0111394084914669
Energy: 0.6213446595981451
Energy: 1.0111394084914669
Energy: 0.6213446595977701
Energy: 1.011139408491842
Energy: 0.9128491064075261
Energy: 0.869341529617181
Energy: 0.9128491064079012
Energy: 0.869341529617181
Energy: 0.9128491064075261
Energy: 0.869341529617181
Energy: 0.636460029619663
Energy: 0.9519754862448448
Energy: 0.6364600296207878
Energy: 0.9519754862444698
Energy: 0.6364600296204129
Energy: 0.9519754862448448
Energy: 1.1016980346117202
Energy: 0.6468861060635777
Energy: 1.1016980346120953
Energy: 0.6468861060620777
Energy: 1.1016980346117202
Energy: 0.6468861060624528
Energy: 0.6505311448773766
Energy: 0.9599305136681232
Energy: 0.6505311448773766
Energy: 0.9599305136681232
Energy: 0.6505311448777515
Energy: 0.9599305136681232
Energy: 0.9622094129837241
Energy: 0.7122032307189304
Energy: 0.9622094129859737
Energy: 0.7122032307189304
Energy: 0.9622094129773494
Energy: 0.7122032307193054
Energy: 0.7588058148455727
Energy: 0.6371599633481446
Energy: 0.7588058148466976
Energy: 0.6371599633488946
Energy: 0.7588058148463227
Energy: 0.6371599633485195
Energy: 0.6707478650678138
Energy: 1.103167099674292
Energy: 0.670747865067439
Energy: 1.103167099674667
Energy: 0.6707478650678138
Energy: 1.103167099674292
Energy: 0.6402693058831709
Energy: 0.9978782422238153
Energy: 0.6402693058831709
Energy: 0.9978782422230654
Energy: 0.6402693058827958
Energy: 0.9978782422238153
Energy: 0.9792673701805418
Energy: 0.6325420144345901
Energy: 0.9792673701809166
Energy: 0.6325420144342151
Energy: 0.9792673701809166
Energy: 0.6325420144342151
Energy: 0.6366006699127054
Energy: 1.1274502731767038
Energy: 0.6366006699127054
Energy: 1.1274502731767038
Energy: 0.6366006699130802
Energy: 1.1274502731767038
Energy: 1.1121114894285735
Energy: 0.6814054845923495
Energy: 1.1121114894285735
Energy: 0.6814054845927244
Energy: 1.1121114894285735
Energy: 0.6814054845934744
Energy: 0.7454232466502424
Energy: 0.7661740652812802
Energy: 0.7454232466491176
Energy: 0.7661740652801552
Energy: 0.7454232466494926
Energy: 0.7661740652812802
Energy: 0.6954120461838739
Energy: 0.7654958175047397
Energy: 0.695412046193998
Energy: 0.7654958175047397
Energy: 0.6954120461793741
Energy: 0.7654958175047397
Energy: 1.1121220507628278
Energy: 0.681453883372695
Energy: 1.1121220507628278
Energy: 0.681453883372695
Energy: 1.1121220507624527
Energy: 0.68145388337307
Energy: 0.6366446417062672
Energy: 1.1272154419420375
Energy: 0.6366446417070171
Energy: 1.1272154419420375
Energy: 0.6366446417073921
Energy: 1.1272154419420375
Energy: 0.9790835820166492
Energy: 0.6323623355151807
Energy: 0.9790835820173992
Energy: 0.6323623355144308
Energy: 0.9790835820170244
Energy: 0.6323623355148057
Energy: 0.6402322590916522
Energy: 0.9978006191563618
Energy: 0.6402322590912771
Energy: 0.9978006191574866
Energy: 0.6402322590916522
Energy: 0.9978006191574866
Energy: 0.6706530002727162
Energy: 1.1031806751466813
Energy: 0.6706530002730913
Energy: 1.1031806751463062
Energy: 0.6706530002738411
Energy: 1.1031806751463062
Energy: 0.7588081364662037
Energy: 0.6370879442190487
Energy: 0.7588081364650787
Energy: 0.6370879442186737
Energy: 0.7588081364658287
Energy: 0.6370879442190487
Energy: 1.0125227870165805
Energy: 0.7122635549920562
Energy: 1.0125227870165805
Energy: 0.7122635549924311
Energy: 1.0125227870173306
Energy: 0.7122635549916811
Energy: 0.6504468483252623
Energy: 0.960282791919572
Energy: 0.6504468483252623
Energy: 0.960282791919197
Energy: 0.6504468483252623
Energy: 0.960282791919197
Energy: 1.101680476441212
Energy: 0.6468303266870149
Energy: 1.1016804764415529
Energy: 0.6468303266870149
Energy: 1.1016804764419281
Energy: 0.6468303266870149
Energy: 0.636427601443374
Energy: 0.9515354770134644
Energy: 0.636427601443374
Energy: 0.9515354770130894
Energy: 0.6364276014437488
Energy: 0.9515354770130894
Energy: 0.9132684221042277
Energy: 0.8693568524843988
Energy: 0.9132684221042277
Energy: 0.869356852484024
Energy: 0.9132684221042277
Energy: 0.869356852483649
Energy: 0.6213093074086982
Energy: 1.0112090363560837
Energy: 0.6213093074086982
Energy: 1.0112090363564588
Energy: 0.6213093074086982
Energy: 1.0112090363560837

minimum gb energy = 0.6213093074086982 eV
minimum distance =  2.34425344068794 Angstroms
sigma value = 67


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

Energy: 0.7469554530704837
Energy: 0.6769113536304665
Energy: 0.7469554530702274
Energy: 0.6769113536307229
Energy: 0.7469554530707115
Energy: 0.6769113536307229
Energy: 0.7330995236828571
Energy: 0.6631704319636369
Energy: 0.7330995236828571
Energy: 0.6631704319638932
Energy: 0.7330995236828571
Energy: 0.6631704319633807
Energy: 1.3626822579835927
Energy: 0.8670708553702923
Energy: 1.3626822579820832
Energy: 0.8670708553697796
Energy: 0.9084310725379121
Energy: 0.8670708553702923
Energy: 0.7330919505421819
Energy: 0.6631630123239578
Energy: 0.7330919505424383
Energy: 0.6631630123239578
Energy: 0.7330919505426945
Energy: 0.6631630123239578
Energy: 0.7469554530702274
Energy: 0.6769113536309791
Energy: 0.7469554530699711
Energy: 0.6769113536304665
Energy: 0.7469554530704837
Energy: 0.6769113536309791
Energy: 0.7330995236838823
Energy: 0.6631704319643774
Energy: 0.7330995236836261
Energy: 0.6631704319643774
Energy: 0.7330995236836261
Energy: 0.6631704319643774
Energy: 0.6853229993596136
Energy: 0.8670708553702923
Energy: 0.6853229993596136
Energy: 0.8670708553700359
Energy: 0.9084310725376558
Energy: 0.8670708553700359

minimum gb energy = 0.6631630123239578 eV
minimum distance =  2.38933450158477 Angstroms
sigma value = 3


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

Energy: 1.0838536611088552
Energy: 0.8778809453643277
Energy: 1.052737161693992
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Energy: 0.9858232453533476
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Energy: 0.9896741536268566
Energy: 0.9053125176558854
Energy: 0.9896741536258026
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Energy: 0.9896741536264845
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Energy: 1.1250650170436467
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Energy: 0.7886547376593601
Energy: 1.0659104386309715
Energy: 0.7886547376593601
Energy: 1.0659104386326457
Energy: 0.788654737657686
Energy: 1.0659104386330176
Energy: 0.9552327044503452
Energy: 1.0380556693944794
Energy: 0.9552327044507173
Energy: 1.0380556693958436
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Energy: 1.0380556693951615
Energy: 0.9935674368964137
Energy: 1.0278672073217785
Energy: 0.993566006027981
Energy: 1.0278672073224606
Energy: 0.9935674368950496
Energy: 1.0278672073228328
Energy: 1.1090990324721497
Energy: 0.8999341034049722
Energy: 1.1090990324711576
Energy: 0.8999341034067083
Energy: 1.1090990324707855
Energy: 0.8999341034063364
Energy: 0.8447837907431274
Energy: 1.1020245244045521
Energy: 0.8447837907424453
Energy: 1.10202452440418
Energy: 0.8447837907444915
Energy: 1.102024524403498
Energy: 0.931055952117802
Energy: 0.9610294562501185
Energy: 0.9310559521202203
Energy: 0.9610294562484443
Energy: 0.9310559521198482
Energy: 0.9610294562484443
Energy: 1.0802871433522478
Energy: 0.8982619674356174
Energy: 1.0802871433542942
Energy: 0.8982619674304709
Energy: 1.080287143355348
Energy: 0.898261967431153
Energy: 1.119684313111371
Energy: 0.8331315739854788
Energy: 1.1196843131079608
Energy: 0.8331315739872149
Energy: 1.1196843131072787
Energy: 0.8331315739878968
Energy: 0.9296885538155206
Energy: 1.023378925983755
Energy: 0.9296880816562536
Energy: 1.0233789259823909
Energy: 0.9296885538181869
Energy: 1.0233789259827009
Energy: 0.8858865379065277
Energy: 0.9674168124247156
Energy: 0.8858865379075818
Energy: 0.9674168124237236
Energy: 0.8858865379075818
Energy: 0.9674168124240334
Energy: 0.9936965043796591
Energy: 1.0014942901101602
Energy: 0.993696504379349
Energy: 1.0014942901097883
Energy: 0.9936965043769309
Energy: 1.0014942901101602
Energy: 0.9580263547356466
Energy: 0.9783719108166193
Energy: 0.9580263547367007
Energy: 0.9783719108148833
Energy: 0.9580263547356466
Energy: 0.9783719108148833
Energy: 0.9853348216900645
Energy: 0.9522744077819332
Energy: 0.9855757101746816
Energy: 0.9522744077836072
Energy: 0.9853348216911186
Energy: 0.9522744077832972

minimum gb energy = 0.788654737657686 eV
minimum distance =  2.29300534361367 Angstroms
sigma value = 81


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

Energy: 0.9609438086769625
Energy: 0.9307307525746092
Energy: 0.9134308928187945
Energy: 0.9307307525746092
Energy: 0.9609438086760265
Energy: 0.9307307525741413
Energy: 0.846713937832553
Energy: 0.9614207275818479
Energy: 0.8467139378320849
Energy: 0.9614207275818479
Energy: 0.8467139378320849
Energy: 0.9614207275832521
Energy: 1.0809324805553706
Energy: 1.0770841254749313
Energy: 1.0596711061081945
Energy: 1.0770841254744634
Energy: 1.0809324805553706
Energy: 1.0770841254753993
Energy: 0.8373440487679804
Energy: 1.0493379533155005
Energy: 0.8373440487632998
Energy: 1.0493379533155005
Energy: 0.8373440487689164
Energy: 1.0493379533159686
Energy: 0.8631946433687828
Energy: 0.7953998295064777
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Energy: 0.7953998295069457
Energy: 0.8631946433687828
Energy: 0.7953998295069457
Energy: 0.8746768770693623
Energy: 0.8711334112565425
Energy: 0.8746768770698302
Energy: 0.8711334112565425
Energy: 0.8746768770688941
Energy: 0.8711334112551383
Energy: 0.9239234901466211
Energy: 1.051125495273059
Energy: 0.9239234901470894
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Energy: 0.9239234901466211
Energy: 1.051125495272591
Energy: 0.9587166838868078
Energy: 1.0827104626811905
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Energy: 1.0014137941675227
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Energy: 1.0014137941675227
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Energy: 0.8709662794250291
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Energy: 1.0867490342573958
Energy: 1.1029119393322093
Energy: 0.9646152316430107
Energy: 0.8479912372972205
Energy: 0.9646152316416063
Energy: 0.8479912372976887
Energy: 0.9646152316430107
Energy: 0.8479912373000289
Energy: 0.8438557448417101
Energy: 0.879541252399942
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Energy: 0.879541252399942
Energy: 0.843855744841242
Energy: 0.87954125240041
Energy: 0.9960171572211726
Energy: 1.0482179834380574
Energy: 0.9960171572225768
Energy: 1.0482179834375893
Energy: 0.9960171572207046
Energy: 1.0482179834385252
Energy: 1.1186999489924399
Energy: 0.8349283401559866
Energy: 1.1186999489919718
Energy: 0.8349283401555185
Energy: 1.1186999489919718
Energy: 0.8349283401583268
Energy: 1.052796803918745
Energy: 0.8118462041381761
Energy: 1.0527968039178086
Energy: 0.8118462041386441
Energy: 1.0527968039182767
Energy: 0.8118462041381761
Energy: 0.8963210206600033
Energy: 0.9084088597451981
Energy: 0.8963210206604714
Energy: 0.9084088597456662
Energy: 0.8963210206595351
Energy: 0.908408859744262
Energy: 0.7582702104298614
Energy: 1.0017299735423422
Energy: 0.7586026948128209
Energy: 1.0017299735423422
Energy: 0.7582702104298614
Energy: 1.0017299735442142
Energy: 0.9787089515178344
Energy: 1.096552320101635
Energy: 0.9787089515178344
Energy: 1.096552320101635
Energy: 0.9787089515178344
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Energy: 1.0500073127482934
Energy: 1.0126311432377244
Energy: 1.0500073127492295
Energy: 1.0126311432372561
Energy: 1.0500073127482934
Energy: 1.0126311432377244
Energy: 0.9498960218668817
Energy: 0.8927752452462152
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Energy: 0.8927752452462152
Energy: 0.9498960218668817
Energy: 0.8927752452457471
Energy: 0.8793216498434425
Energy: 0.8799796082781901
Energy: 0.8275939340233062
Energy: 0.8799796082786581
Energy: 0.8793216498439106
Energy: 0.8799796082795944
Energy: 0.8817341575895769
Energy: 0.9331084811606936
Energy: 0.8279068568419862
Energy: 0.9331084811616298
Energy: 0.8817341575891088
Energy: 0.9331084811606936
Energy: 1.0821023013733388
Energy: 0.8656353093136984
Energy: 1.0821023013733388
Energy: 0.8656353093136984
Energy: 1.082102301372871
Energy: 0.8656353093127621
Energy: 1.0016132184347892
Energy: 1.0577131857252218
Energy: 1.0016132184347892
Energy: 1.057713185724754
Energy: 1.0016132184347892
Energy: 1.057713185724754
Energy: 1.000925081725437
Energy: 1.0605302221532686
Energy: 1.0009250817240327
Energy: 1.0605302221532686
Energy: 1.000925081725437
Energy: 1.0605302221537367
Energy: 0.7582583777328119
Energy: 0.8391493466482649
Energy: 0.7582583777337482
Energy: 0.8391493466477968
Energy: 0.7582583777328119
Energy: 0.8391493466477968
Energy: 0.9911858051376077
Energy: 0.9084354189070064
Energy: 0.9911858051380757
Energy: 0.9084354189070064
Energy: 0.9911858051385438
Energy: 0.9084354189070064
Energy: 0.9335689796719336
Energy: 0.8442710447489209
Energy: 0.9265912736748324
Energy: 0.8442710447489209
Energy: 0.9335689798646876
Energy: 0.8442710447475169
Energy: 1.0539135291117019
Energy: 0.8450485914483578
Energy: 1.0539135291121702
Energy: 0.8450485914483578
Energy: 1.0539135291117019
Energy: 0.8450485914478896
Energy: 1.0555858048363438
Energy: 1.1136292279380455
Energy: 1.0555858048363438
Energy: 1.1136292279375775
Energy: 1.0555858048363438
Energy: 1.1136292279380455
Energy: 0.8312316060942024
Energy: 0.8635617280214659
Energy: 0.8312316060937344
Energy: 0.863561728020998
Energy: 0.8312316060942024
Energy: 0.8635617280205299
Energy: 0.9644226248094501
Energy: 0.8719619039402351
Energy: 0.9644226248080459
Energy: 0.871961903940703
Energy: 0.9644226248094501
Energy: 0.8719619039397669
Energy: 1.0594911210867666
Energy: 1.0521801950394019
Energy: 1.0594911210858302
Energy: 1.0521801950394019
Energy: 1.0594911210867666
Energy: 1.0521801950394019
Energy: 0.9150598410458742
Energy: 1.3282334155298703
Energy: 0.9150357368683133
Energy: 1.3282334155298703
Energy: 0.9150598410458742
Energy: 1.3282334155317426
Energy: 1.0113009422383736
Energy: 1.0535442552415468
Energy: 1.0113009422383736
Energy: 1.0535442552420147
Energy: 1.0113009422388417
Energy: 1.0535442552415468
Energy: 0.8705033425036297
Energy: 0.9653746171925375
Energy: 0.8705033425026936
Energy: 0.9653746171911333
Energy: 0.8705033425036297
Energy: 0.9653746171901972
Energy: 0.8856351478962123
Energy: 1.065259302998862
Energy: 0.8856351478971485
Energy: 1.0652593029983939
Energy: 0.8856351478966804
Energy: 1.0652593029974577

minimum gb energy = 0.7582583777328119 eV
minimum distance =  2.29610811756394 Angstroms
sigma value = 43


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

Energy: 1.1017796339736847
Energy: 0.8434133053255513
Energy: 1.1017796339736847
Energy: 0.8434133053255513
Energy: 1.1017796339736847
Energy: 0.8434133053255513
Energy: 0.9923195755755584
Energy: 0.8624251067607382
Energy: 0.9923195755761333
Energy: 0.8624251067607382
Energy: 0.9923195755761333
Energy: 0.8624251067607382
Energy: 0.9479942372387672
Energy: 1.0819472582847143
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Energy: 1.0819472582852891
Energy: 0.9479942372387672
Energy: 1.0819472582847143
Energy: 1.0194929759465021
Energy: 0.9135007803817139
Energy: 1.0194929759470768
Energy: 0.9135007803817139
Energy: 1.0194929759465021
Energy: 0.9135007803817139
Energy: 0.9091549969815765
Energy: 0.9355347285101339
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Energy: 0.9091549969810017
Energy: 0.9355347285101339
Energy: 0.9212131837136839
Energy: 1.026997349731445
Energy: 0.9212131837136839
Energy: 1.026997349731445
Energy: 0.9212131837136839
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Energy: 0.9630695406941079
Energy: 1.1018476197075269
Energy: 0.9630695406952577
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Energy: 0.9630695406941079
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Energy: 0.9302456642096094
Energy: 0.9626319588500779
Energy: 0.9302456642096094
Energy: 0.962631958849503
Energy: 0.9302456642090345
Energy: 0.9680490693942825
Energy: 0.9099430537886725
Energy: 0.9680490693942825
Energy: 0.9099430537892476
Energy: 0.9680490693942825
Energy: 0.9099430537886725
Energy: 0.9165420498197548
Energy: 1.0369767988223193
Energy: 0.9165420498203297
Energy: 1.0369767988228942
Energy: 0.9165420498203297
Energy: 1.0369767988223193
Energy: 1.1318982807254472
Energy: 0.9718037155424357
Energy: 1.1318982807254472
Energy: 0.9718037155424357
Energy: 1.131898280726022
Energy: 0.9718037155424357
Energy: 0.9425606844216792
Energy: 0.9515018293044144
Energy: 0.9425606844222543
Energy: 0.9515018293038395
Energy: 0.9425606844216792
Energy: 0.9515018293044144
Energy: 0.915441286186821
Energy: 1.0522540851673232
Energy: 0.915441286186821
Energy: 1.0522540851673232
Energy: 0.915441286186821
Energy: 1.052254085167898
Energy: 0.9172986537087539
Energy: 1.1381499556337924
Energy: 0.9172986537093287
Energy: 1.1381499556337924
Energy: 0.9172986537093287
Energy: 1.1381499556337924
Energy: 1.0871987435041268
Energy: 0.9644969324001222
Energy: 1.0871987435041268
Energy: 0.9644969324001222
Energy: 1.0871987435041268
Energy: 0.9644969324001222
Energy: 0.9493448449458122
Energy: 0.9291732284744877
Energy: 0.949344844945237
Energy: 0.9291732284744877
Energy: 0.949344844945237
Energy: 0.9291732284750626
Energy: 1.0157770317179518
Energy: 0.8678655141752624
Energy: 1.0157770317179518
Energy: 0.8678655141758372
Energy: 1.0157770317179518
Energy: 0.8678655141758372
Energy: 1.1891626922115528
Energy: 0.9324549559991322
Energy: 1.1891626922115528
Energy: 0.9324549559997072
Energy: 1.1891626922115528
Energy: 0.9324549559991322
Energy: 1.1952841750347252
Energy: 0.9301031781373184
Energy: 1.19528417503415
Energy: 0.9301031781373184
Energy: 1.1952841750353
Energy: 0.9301031781373184
Energy: 1.015731640682062
Energy: 0.9465576508514544
Energy: 1.015731640682062
Energy: 0.9465576508520295
Energy: 1.015731640682062
Energy: 0.9465576508514544
Energy: 0.9523290469676877
Energy: 0.9372776556975773
Energy: 0.9523290469676877
Energy: 0.9372776556970024
Energy: 0.9523290469671127
Energy: 0.9372776556975773
Energy: 1.0564047419973643
Energy: 0.8932000804375171
Energy: 1.0564047419973643
Energy: 0.8932000804375171
Energy: 1.0564047419973643
Energy: 0.893200080436942
Energy: 0.9411829730624334
Energy: 1.0046673504581618
Energy: 0.9411829730630082
Energy: 1.0046673504581618
Energy: 0.9411829730630082
Energy: 1.0046673504581618
Energy: 0.9516664797324178
Energy: 1.0541464938534277
Energy: 0.9516664797324178
Energy: 1.0541464938534277
Energy: 0.9516664797324178
Energy: 1.0541464938534277
Energy: 0.9897483569326418
Energy: 0.9142121617177259
Energy: 0.9897483569332168
Energy: 0.9142121617177259
Energy: 0.9897483569332168
Energy: 0.9142121617177259
Energy: 1.0990717355350388
Energy: 0.9732724065613089
Energy: 1.0990717355350388
Energy: 0.9732724065613089
Energy: 1.0990717355350388
Energy: 0.9732724065613089
Energy: 0.9183615513089188
Energy: 1.0115861491514724
Energy: 0.9183615513089188
Energy: 1.0115861491514724
Energy: 0.918361551308344
Energy: 1.0115861491514724
Energy: 0.9995443341245906
Energy: 0.914212959183035
Energy: 0.9995443341245906
Energy: 0.9142129591836099
Energy: 0.9995443341251655
Energy: 0.914212959183035
Energy: 0.9896076825815171
Energy: 0.9094063575909622
Energy: 0.989607682582092
Energy: 0.9094063575909622
Energy: 0.989607682582092
Energy: 0.9094063575909622
Energy: 1.1014032793360367
Energy: 1.099969059525811
Energy: 1.1014032793360367
Energy: 1.099969059525811
Energy: 1.1014032793360367
Energy: 1.099969059525811
Energy: 0.9221309875719917
Energy: 1.0164916035445055
Energy: 0.9221309875719917
Energy: 1.0164916035450804
Energy: 0.9221309875719917
Energy: 1.0164916035439306

minimum gb energy = 0.8434133053255513 eV
minimum distance =  2.31081819810376 Angstroms
sigma value = 57


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

Energy: 1.0460942708917333
Energy: 0.7896985357014475
Energy: 1.0460942708917333
Energy: 0.7896985357014475
Energy: 1.0460942708917333
Energy: 0.7896985357014475
Energy: 0.8423851122283925
Energy: 0.8333083396542715
Energy: 0.8423851122276481
Energy: 0.8333083396535271
Energy: 0.8423851122283925
Energy: 0.8333083396542715
Energy: 0.9085111073461206
Energy: 0.9441064932932495
Energy: 0.9085111073461206
Energy: 0.9441064932939939
Energy: 0.9085111073461206
Energy: 0.9441064932932495
Energy: 1.1538559850879408
Energy: 0.9452461291008277
Energy: 1.1538559850886851
Energy: 0.9452461291015721
Energy: 1.1538559850879408
Energy: 0.9452461291015721
Energy: 1.0615783072285865
Energy: 0.9453333646767657
Energy: 1.0615783072285865
Energy: 0.9453333646782545
Energy: 1.0615783072285865
Energy: 0.9453333646767657
Energy: 0.9484960921571293
Energy: 0.9285249711521176
Energy: 0.9484960921563849
Energy: 0.9285249711513732
Energy: 0.9484960921571293
Energy: 0.9285249711506288
Energy: 1.0069454370819075
Energy: 1.026022861304732
Energy: 1.0069454370819075
Energy: 1.026022861304732
Energy: 1.006945437081163
Energy: 1.026022861304732
Energy: 0.97579268150636
Energy: 0.7901500160550551
Energy: 0.9757926815056156
Energy: 0.7901500160550551
Energy: 0.9757926815056156
Energy: 0.7901500160550551
Energy: 0.9606169494880554
Energy: 0.8284800897321132
Energy: 0.9606169494880554
Energy: 0.8284800897328577
Energy: 0.9606169494880554
Energy: 0.8284800897321132
Energy: 0.735257533008759
Energy: 0.9240319210332425
Energy: 0.7352575330095035
Energy: 0.9240319210332425
Energy: 0.7352575330102478
Energy: 0.9240319210324981
Energy: 0.8670727111328015
Energy: 0.8739227444362858
Energy: 0.8670727111328015
Energy: 0.8739227444362858
Energy: 0.8670727111328015
Energy: 0.8739227444362858
Energy: 0.9838643643545906
Energy: 0.9921472440521524
Energy: 0.9838643643545906
Energy: 0.9921472440521524
Energy: 0.9838643643545906
Energy: 0.9921472440521524
Energy: 0.8830178042713233
Energy: 0.8282513404520605
Energy: 0.8830178042713233
Energy: 0.8282513404520605
Energy: 0.8830178042713233
Energy: 0.8282513404513161
Energy: 0.9149390829024584
Energy: 0.8555843213151195
Energy: 0.9149390829024584
Energy: 0.8555843213151195
Energy: 0.9149390829024584
Energy: 0.8555843213158639
Energy: 1.0117004775436669
Energy: 0.8286268411899543
Energy: 1.0117004775444112
Energy: 0.8286268411899543
Energy: 1.0117004775451557
Energy: 0.8286268411899543
Energy: 1.0492540291650059
Energy: 0.8173513683173126
Energy: 1.0492540291650059
Energy: 0.8173513683173126
Energy: 1.0492540291650059
Energy: 0.8173513683173126
Energy: 0.7362396455411342
Energy: 0.8429510617399968
Energy: 0.7362396455411342
Energy: 0.8429510617399968
Energy: 0.7362396455411342
Energy: 0.8429510617399968
Energy: 0.8714013736173438
Energy: 0.871983553144862
Energy: 0.8714013736173438
Energy: 0.871983553144862
Energy: 0.8714013736165994
Energy: 0.871983553144862
Energy: 0.7362824368450269
Energy: 0.8425654010050729
Energy: 0.7362824368450269
Energy: 0.8425654010058173
Energy: 0.7362824368450269
Energy: 0.8425654010058173
Energy: 1.049079364885445
Energy: 0.8175542958587221
Energy: 1.049079364885445
Energy: 0.8175542958587221
Energy: 1.049079364885445
Energy: 0.8175542958587221
Energy: 1.0113883522099314
Energy: 0.8284899814770207
Energy: 1.011388352210676
Energy: 0.8284899814770207
Energy: 1.0113883522121645
Energy: 0.8284899814770207
Energy: 0.9150078181328336
Energy: 0.8961237246960875
Energy: 0.9150078181328336
Energy: 0.8961237246953431
Energy: 0.9150078181328336
Energy: 0.8961237246960875
Energy: 0.8829187683637311
Energy: 0.8280736615270378
Energy: 0.8829187683644755
Energy: 0.8280736615262934
Energy: 0.8829187683637311
Energy: 0.8280736615262934
Energy: 0.9838158973249389
Energy: 0.9919609947404856
Energy: 0.9838158973241946
Energy: 0.99196099474123
Energy: 0.9838158973241946
Energy: 0.9919609947404856

minimum gb energy = 0.735257533008759 eV
minimum distance =  2.33595246683656 Angstroms
sigma value = 17


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

Energy: 1.0540250592884084
Energy: 0.751334747319476
Energy: 1.0540250592884084
Energy: 0.751334747319476
Energy: 1.0540250592884084
Energy: 0.751334747319476
Energy: 0.846879060473949
Energy: 0.9110985699506644
Energy: 0.846879060473949
Energy: 0.9110985699506644
Energy: 0.846879060473949
Energy: 0.9110985699506644
Energy: 0.8730486313286607
Energy: 0.8532423807998083
Energy: 0.8730486313286607
Energy: 0.8532423807987555
Energy: 0.8730486313286607
Energy: 0.8532423807998083
Energy: 0.9838281450936236
Energy: 1.0152682547286542
Energy: 0.9838281450946524
Energy: 1.0152682547286542
Energy: 0.9838281450946524
Energy: 1.0152682547286542
Energy: 0.9403871890258553
Energy: 0.9577540885135306
Energy: 0.9403871890258553
Energy: 0.9577540885135306
Energy: 0.9403871890258553
Energy: 0.9577540885124778
Energy: 0.9778251131845204
Energy: 0.8173266282326314
Energy: 0.9778251131845204
Energy: 0.817326628233684
Energy: 0.9778251131845204
Energy: 0.817326628233684
Energy: 0.9137683467622685
Energy: 0.7370293918157671
Energy: 0.9137683467622685
Energy: 0.7370293918157671
Energy: 0.9137683467622685
Energy: 0.7370293918168199
Energy: 0.9548676096460261
Energy: 0.9376901515349791
Energy: 0.9548676096460261
Energy: 0.9376901515339264
Energy: 0.9548676096460261
Energy: 0.9376901515339264
Energy: 0.8070905037959447
Energy: 0.9838124574829188
Energy: 0.8070905037959447
Energy: 0.9838124574829188
Energy: 0.8070905037959447
Energy: 0.9838124574829188
Energy: 0.8955687807654782
Energy: 0.9049781651258544
Energy: 0.8955687807654782
Energy: 0.9049781651258544
Energy: 0.8955687807644255
Energy: 0.9049781651248017
Energy: 0.9000575111286595
Energy: 0.8325758707980407
Energy: 0.9000575111297123
Energy: 0.8325758707980407
Energy: 0.9000575111297123
Energy: 0.8325758707980407
Energy: 0.9235327735909216
Energy: 0.9975084421953911
Energy: 0.9235327735909216
Energy: 0.9975084421953911
Energy: 0.9235327735909216
Energy: 0.9975084421953911
Energy: 0.6829348014928265
Energy: 0.9377030559456031
Energy: 0.6829348014928265
Energy: 0.9377030559456031
Energy: 0.6829348014928265
Energy: 0.9377030559456031
Energy: 0.772488582837393
Energy: 0.8274072085878694
Energy: 0.7724885828384457
Energy: 0.8274072085878694
Energy: 0.772488582837393
Energy: 0.827407208588922
Energy: 0.7905124570196819
Energy: 0.9436036150686588
Energy: 0.7905124570196819
Energy: 0.943603615067606
Energy: 0.7905124570196819
Energy: 0.9436036150686588
Energy: 0.7883433280369443
Energy: 0.953844880908252
Energy: 0.7883433280369443
Energy: 0.953844880908252
Energy: 0.7883433280369443
Energy: 0.953844880908252
Energy: 0.7710312102670077
Energy: 0.8271521195969745
Energy: 0.771031210265955
Energy: 0.8271521195969745
Energy: 0.7710312102670077
Energy: 0.8271521195969745

minimum gb energy = 0.6829348014928265 eV
minimum distance =  2.37774075528411 Angstroms
sigma value = 17


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

Energy: 1.0353257451908842
Energy: 0.6742921393039625
Energy: 1.0353257451912907
Energy: 0.6742921393039625
Energy: 1.0353257451912907
Energy: 0.6742921393039625
Energy: 0.8140803741206751
Energy: 0.804739177892615
Energy: 0.8140803741214883
Energy: 0.804739177892615
Energy: 0.8140803741218947
Energy: 0.804739177892615
Energy: 0.7627915352339811
Energy: 0.8023402243626215
Energy: 0.7627915352343876
Energy: 0.802340224362215
Energy: 0.7627915352343876
Energy: 0.8023402243618086
Energy: 0.9277294195142474
Energy: 0.7628870875678601
Energy: 0.9277294195142474
Energy: 0.7628870875678601
Energy: 0.9277294195138408
Energy: 0.7628870875686732
Energy: 0.9816735990898046
Energy: 0.781144156362947
Energy: 0.981673599089398
Energy: 0.7811441563625404
Energy: 0.981673599089398
Energy: 0.781144156362947
Energy: 0.7346836356455786
Energy: 0.816274441263006
Energy: 0.7346836356463916
Energy: 0.8162744412642255
Energy: 0.7346836356455786
Energy: 0.816274441263819
Energy: 0.8351784593297266
Energy: 0.7539509943494856
Energy: 0.8351784593301329
Energy: 0.7539509943490791
Energy: 0.8351784593309461
Energy: 0.7539509943490791
Energy: 0.8740190927969564
Energy: 0.8570949421440178
Energy: 0.8740190927969564
Energy: 0.8570949421444244
Energy: 0.8740190927969564
Energy: 0.8570949421452373
Energy: 0.846001389365305
Energy: 0.8269975538851903
Energy: 0.846001389365305
Energy: 0.8269975538843771
Energy: 0.846001389365305
Energy: 0.8269975538847837
Energy: 0.797742165776575
Energy: 0.6751133869606412
Energy: 0.7977421657769814
Energy: 0.6751133869606412
Energy: 0.7977421657769814
Energy: 0.6751133869602347
Energy: 0.8989818817481665
Energy: 0.8368958665427332
Energy: 0.89898188174776
Energy: 0.8368958665423266
Energy: 0.8989818817473534
Energy: 0.83689586654192
Energy: 0.767805023339688
Energy: 0.9578811722325844
Energy: 0.7678050233392814
Energy: 0.9578811722321778
Energy: 0.7678050233388749
Energy: 0.9578811722325844
Energy: 0.8341276927625123
Energy: 0.8023018533653707
Energy: 0.8341276927625123
Energy: 0.802301853368623
Energy: 0.834127692762106
Energy: 0.8023018533653707
Energy: 0.9192621069111515
Energy: 0.7785294723273749
Energy: 0.9192621069103385
Energy: 0.7785294723273749
Energy: 0.9192621069107451
Energy: 0.7785294723273749
Energy: 0.8368247252435305
Energy: 0.9509530698231656
Energy: 0.8368247252431239
Energy: 0.9509530698235721
Energy: 0.8368247252439369
Energy: 0.950953069822759
Energy: 0.700211155652089
Energy: 0.8575138799618702
Energy: 0.700211155651276
Energy: 0.8231399983619357
Energy: 0.7002111556545283
Energy: 0.8231399983619357
Energy: 0.7027102528436546
Energy: 0.727089758541363
Energy: 0.7027102528432481
Energy: 0.727089758541363
Energy: 0.7027102528428416
Energy: 0.727089758541363
Energy: 0.8830697250157145
Energy: 0.9008868889618102
Energy: 0.8830697250181537
Energy: 0.9008868889622168
Energy: 0.8830697250144949
Energy: 0.9008868889618102
Energy: 0.768320273710896
Energy: 0.8197145889126009
Energy: 0.768320273710896
Energy: 0.8197145889121942
Energy: 0.7683202737104894
Energy: 0.8197145889117876
Energy: 0.7016095074897848
Energy: 0.7894044072205829
Energy: 0.7016095074897848
Energy: 0.7894044072209895
Energy: 0.7016095074893782
Energy: 0.765254057468834
Energy: 0.7682265081328403
Energy: 0.8199469249106908
Energy: 0.7682265081332468
Energy: 0.8199469249110973
Energy: 0.7682265081328403
Energy: 0.8199469249102841
Energy: 0.8829701483576662
Energy: 0.9007514302103882
Energy: 0.8829701483576662
Energy: 0.9007514302103882
Energy: 0.8829701483580727
Energy: 0.9007514302103882
Energy: 0.7027412936804056
Energy: 0.7269319049969921
Energy: 0.7027412936808122
Energy: 0.7269319049969921
Energy: 0.7027412936808122
Energy: 0.7269319049969921
Energy: 0.7001662168396088
Energy: 0.9055613254228617
Energy: 0.7001662168392022
Energy: 0.9055613254228617
Energy: 0.7001662168355804
Energy: 0.9055613254228617
Energy: 0.8361307301679152
Energy: 0.9509640397825654
Energy: 0.8361307301675087
Energy: 0.9509640397817525
Energy: 0.8361307301683217
Energy: 0.9509640397817525
Energy: 0.9193911744948186
Energy: 0.7783858752946217
Energy: 0.9193911744944122
Energy: 0.7783858752946217
Energy: 0.9193911744948186
Energy: 0.7783858752946217
Energy: 0.833973644706663
Energy: 0.8025273292187337
Energy: 0.8339736447062565
Energy: 0.8025273292183271
Energy: 0.8339736447062565
Energy: 0.8025273292187337
Energy: 0.7679066445875815
Energy: 0.958218212250244
Energy: 0.7679066445867684
Energy: 0.958218212250244
Energy: 0.7679066445875815
Energy: 0.958218212250244
Energy: 0.8991981965967536
Energy: 0.8368681120655772
Energy: 0.8991981965975668
Energy: 0.8368681120655772
Energy: 0.8991981965967536
Energy: 0.8368681120659838
Energy: 0.7976241721608699
Energy: 0.6750539907448195
Energy: 0.7976241721612763
Energy: 0.6750539907452261
Energy: 0.7976241721612763
Energy: 0.6750539907452261
Energy: 0.8461259357198825
Energy: 0.8269394826164541
Energy: 0.846125935719476
Energy: 0.8269394826164541
Energy: 0.8461259357198825
Energy: 0.8269394826168607
Energy: 0.8740149827189985
Energy: 0.857045056064662
Energy: 0.8740149827189985
Energy: 0.857045056064662
Energy: 0.8740149827189985
Energy: 0.8570450560642553
Energy: 0.8355893246040177
Energy: 0.7540164272338539
Energy: 0.8355893246036111
Energy: 0.7540164272334473
Energy: 0.8355893246036111
Energy: 0.7540164272334473
Energy: 0.734460517101439
Energy: 0.7692579997813483
Energy: 0.734460517101439
Energy: 0.7692579997813483
Energy: 0.734460517101439
Energy: 0.7692579997813483
Energy: 0.9817573013355886
Energy: 0.7810852451347763
Energy: 0.9817573013355886
Energy: 0.7810852451335567
Energy: 0.9817573013355886
Energy: 0.7810852451343697
Energy: 0.9277104319083578
Energy: 0.876880579372877
Energy: 0.9277104319091709
Energy: 0.8768805793724703
Energy: 0.9277104319087643
Energy: 0.8768805793724703
Energy: 0.7627211125518945
Energy: 0.8024824159118241
Energy: 0.7627211125518945
Energy: 0.8024824159118241
Energy: 0.7627211125518945
Energy: 0.8024824159118241
Energy: 0.8141350780829378
Energy: 0.7848496385090787
Energy: 0.8141350780829378
Energy: 0.7848496385086721
Energy: 0.8141350780825314
Energy: 0.7848496385086721
Energy: 1.0353257451912907
Energy: 0.6742921393019299
Energy: 1.0353257451916973
Energy: 0.6742921393031495
Energy: 1.0353257451916973
Energy: 0.6742921393023363
Energy: 0.8140803741202686
Energy: 0.8234553088859945
Energy: 0.8140803741218947
Energy: 0.8234553088859945
Energy: 0.8140803741223013
Energy: 0.8234553088864011
Energy: 0.7627915352339811
Energy: 0.8023402243630282
Energy: 0.7627915352335746
Energy: 0.8023402243630282
Energy: 0.7627915352339811
Energy: 0.8023402243630282
Energy: 0.9277294195134345
Energy: 0.7351507673928799
Energy: 0.9277294195134345
Energy: 0.7351507673932862
Energy: 0.9277294195130279
Energy: 0.7351507673936928
Energy: 0.9816735990889917
Energy: 0.7811441563637598
Energy: 0.9816735990889917
Energy: 0.7811441563637598
Energy: 0.9816735990889917
Energy: 0.7811441563637598

minimum gb energy = 0.6742921393019299 eV
minimum distance =  2.29470024948305 Angstroms
sigma value = 57


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

Energy: 0.9854187915857794
Energy: 0.623635441045419
Energy: 0.9854187915851176
Energy: 0.6236354410434332
Energy: 0.9854187915851176
Energy: 0.623635441044757
Energy: 0.7333757237280542
Energy: 0.7280335155691773
Energy: 0.7333757237273922
Energy: 0.7280335155691773
Energy: 0.7333757237267303
Energy: 0.7280335155691773
Energy: 0.7077234709884316
Energy: 0.7396864553057474
Energy: 0.7077234709897555
Energy: 0.7396864553057474
Energy: 0.7077234709890935
Energy: 0.7396864553057474
Energy: 0.8936234737455752
Energy: 0.6997419758059811
Energy: 0.8936234737455752
Energy: 0.6997419758059811
Energy: 0.8936234737462371
Energy: 0.6997419758053192
Energy: 0.8930112962673188
Energy: 0.7064081047899285
Energy: 0.8930112962673188
Energy: 0.7064081047899285
Energy: 0.8930112962673188
Energy: 0.7064081047905905
Energy: 0.6888007507448971
Energy: 0.7110555692264304
Energy: 0.6888007507442352
Energy: 0.7110555692270925
Energy: 0.6888007507448971
Energy: 0.7110555692270925
Energy: 0.8746204637887092
Energy: 0.7807598003341214
Energy: 0.8746204637893712
Energy: 0.7807598003334595
Energy: 0.8746204637880473
Energy: 0.7807598003341214
Energy: 0.7957162069860014
Energy: 0.8053377455697076
Energy: 0.7957162069853395
Energy: 0.8053377455703694
Energy: 0.7957162069860014
Energy: 0.8053377455703694
Energy: 0.7491393129795134
Energy: 0.7100034018424609
Energy: 0.7491393129795134
Energy: 0.7100034018424609
Energy: 0.7491393129788515
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Energy: 0.7248747007973669
Energy: 0.6898791957548855
Energy: 0.7248747007973669
Energy: 0.6898791957548855
Energy: 0.7248747007973669
Energy: 0.6898791957548855
Energy: 0.8441030133246138
Energy: 0.804571453173032
Energy: 0.8441030133252758
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Energy: 0.8441030133246138
Energy: 0.804571453173032
Energy: 0.6632259998917892
Energy: 0.8226227347914261
Energy: 0.6632259998924511
Energy: 0.8226227347901023
Energy: 0.6632259998917892
Energy: 0.8226227347894404
Energy: 0.7250296096670922
Energy: 0.7314228605732962
Energy: 0.7250296096677541
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Energy: 0.7314228605732962
Energy: 0.8507544949256262
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Energy: 0.756929085793978
Energy: 0.710764233371067
Energy: 0.917653893057648
Energy: 0.710764233371067
Energy: 0.917653893057648
Energy: 0.710764233370405
Energy: 0.9176538930569861
Energy: 0.7557927769827153
Energy: 0.7354222692963994
Energy: 0.7557927769827153
Energy: 0.7354222692957375
Energy: 0.7557927769833772
Energy: 0.7354222692957375
Energy: 0.8447889854104091
Energy: 0.7229589117875813
Energy: 0.8447889854104091
Energy: 0.7229589117875813
Energy: 0.8447889854097472
Energy: 0.7229589117875813
Energy: 0.7432166449571589
Energy: 0.915412998622222
Energy: 0.7432166449571589
Energy: 0.915412998622222
Energy: 0.7432166449578208
Energy: 0.9154129986228839
Energy: 0.7239082208028933
Energy: 0.7795605313956913
Energy: 0.7239082208028933
Energy: 0.7795605313956913
Energy: 0.7239082208028933
Energy: 0.7795605313950293
Energy: 0.8353278008163618
Energy: 0.6901377301919457
Energy: 0.8353278008163618
Energy: 0.6901377301912838
Energy: 0.8353278008156999
Energy: 0.6901377301912838
Energy: 0.7793585484697979
Energy: 0.8435029394653334
Energy: 0.7793585484697979
Energy: 0.8435029394640092
Energy: 0.7793585484697979
Energy: 0.8435029394659952
Energy: 0.6453953774472625
Energy: 0.7790481302032864
Energy: 0.6453953774491883
Energy: 0.7790481302026245
Energy: 0.6453953774491883
Energy: 0.7790481302013007
Energy: 0.6479108099364466
Energy: 0.6602463396143947
Energy: 0.6479108099377704
Energy: 0.6602463396150565
Energy: 0.6479108099371085
Energy: 0.6602463396150565
Energy: 0.711677039138482
Energy: 0.7822371929787784
Energy: 0.7116770391391439
Energy: 0.7822371929787784
Energy: 0.711677039138482
Energy: 0.7822371929794403
Energy: 0.7284811679732948
Energy: 0.82391924926388
Energy: 0.7284811679693233
Energy: 0.82391924926388
Energy: 0.7284811679739567
Energy: 0.823919249264542
Energy: 0.7271869496398483
Energy: 0.6601809127564038
Energy: 0.7271869496398483
Energy: 0.6601809127557419
Energy: 0.7271869496405102
Energy: 0.6601809127557419
Energy: 0.6424790092741014
Energy: 0.782850384929058
Energy: 0.6424790092741014
Energy: 0.782850384929058
Energy: 0.6424790092741014
Energy: 0.782850384929058

minimum gb energy = 0.6236354410434332 eV
minimum distance =  2.33382084988295 Angstroms
sigma value = 43


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

Energy: 0.9215066332965774
Energy: 0.5606718949476152
Energy: 0.9215066332965774
Energy: 0.5606718949476152
Energy: 0.9215066332965774
Energy: 0.5606718949476152
Energy: 0.6428389433217071
Energy: 0.6612834496397688
Energy: 0.6428389433217071
Energy: 0.6612834496402511
Energy: 0.6428389433217071
Energy: 0.6612834496402511
Energy: 0.6367872511857395
Energy: 0.6631352758969995
Energy: 0.6367872511852573
Energy: 0.6631352758965172
Energy: 0.6367872511857395
Energy: 0.6631352758969995
Energy: 0.8457764334128739
Energy: 0.5960890429141997
Energy: 0.8457764334123917
Energy: 0.5960890429141997
Energy: 0.8457764334123917
Energy: 0.596089042914682
Energy: 0.7489890203084664
Energy: 0.7004597294212359
Energy: 0.7489890203079842
Energy: 0.7004597294212359
Energy: 0.7489890203079842
Energy: 0.7004597294217182
Energy: 0.5953830802532907
Energy: 0.623737322122194
Energy: 0.5953830802532907
Energy: 0.623737322122194
Energy: 0.5953830802532907
Energy: 0.623737322122194
Energy: 0.7855146526906304
Energy: 0.6548745363233567
Energy: 0.7855146526901481
Energy: 0.6548745363243212
Energy: 0.7855146526906304
Energy: 0.6548745363233567
Energy: 0.7751481642434925
Energy: 0.6869269496754118
Energy: 0.7751481642430103
Energy: 0.6869269496754118
Energy: 0.7751481642430103
Energy: 0.6869269496754118
Energy: 0.5669035365805182
Energy: 0.6156225692559338
Energy: 0.5669035365810003
Energy: 0.6156225692559338
Energy: 0.5669035365810003
Energy: 0.6156225692559338
Energy: 0.6269249615884289
Energy: 0.6329810992796965
Energy: 0.6269249615889112
Energy: 0.6329810992796965
Energy: 0.6269249615893934
Energy: 0.6329810992801788
Energy: 0.6952686360295044
Energy: 0.711599379978827
Energy: 0.6952686360299867
Energy: 0.711599379978827
Energy: 0.6952686360299867
Energy: 0.7115993799783448
Energy: 0.5354201609523305
Energy: 0.6146330813636682
Energy: 0.5354201609528128
Energy: 0.6146330813641505
Energy: 0.5354201609528128
Energy: 0.6146330813636682
Energy: 0.626622535865393
Energy: 0.5659863467064891
Energy: 0.626622535865393
Energy: 0.5659863467069715
Energy: 0.6266225358658752
Energy: 0.5659863467069715
Energy: 0.7098580652705166
Energy: 0.7084735748817729
Energy: 0.7098580652729279
Energy: 0.7084735748817729
Energy: 0.7098580652700344
Energy: 0.7084735748817729
Energy: 0.6317407981363623
Energy: 0.6147939481313327
Energy: 0.6317407981358799
Energy: 0.6147939481337441
Energy: 0.6317407981358799
Energy: 0.614793948131815
Energy: 0.6427820316002614
Energy: 0.5975919093360994
Energy: 0.6427820315997791
Energy: 0.5975919093360994
Energy: 0.6427820315997791
Energy: 0.5975919093360994
Energy: 0.7399366314139237
Energy: 0.704378118160795
Energy: 0.7399366314139237
Energy: 0.704378118160795
Energy: 0.7399366314139237
Energy: 0.704378118160795
Energy: 0.5689693018740667
Energy: 0.7588611142522094
Energy: 0.5689693018740667
Energy: 0.7588611142522094
Energy: 0.568969301874549
Energy: 0.7588611142526916
Energy: 0.6217915417349555
Energy: 0.6343487061889684
Energy: 0.6217915417349555
Energy: 0.6343487061894507
Energy: 0.6217915417349555
Energy: 0.6343487061894507
Energy: 0.7277713209258696
Energy: 0.7631415434027
Energy: 0.7277713209253873
Energy: 0.7631415434027
Energy: 0.7277713209258696
Energy: 0.7631415434022177
Energy: 0.6077524736265001
Energy: 0.8943973242618246
Energy: 0.6077524736255356
Energy: 0.8943973242618246
Energy: 0.6077524736265001
Energy: 0.8943973242623069
Energy: 0.6686769558071255
Energy: 0.6447181992266813
Energy: 0.6686769558071255
Energy: 0.6447181992271637
Energy: 0.6686769558071255
Energy: 0.6447181992266813
Energy: 0.7329000579999474
Energy: 0.6243180604113825
Energy: 0.7329000580004297
Energy: 0.6243180604109002
Energy: 0.732900057999465
Energy: 0.6243180604104179
Energy: 0.6391208153903191
Energy: 0.8930591332688619
Energy: 0.6391208153903191
Energy: 0.8930591332688619
Energy: 0.6391208153898369
Energy: 0.8930591332693442
Energy: 0.6330592943305697
Energy: 0.649434481252325
Energy: 0.6330592943315343
Energy: 0.649434481252325
Energy: 0.633059294331052
Energy: 0.6494344812513604
Energy: 0.7001274556851818
Energy: 0.6019610290709434
Energy: 0.7001274556851818
Energy: 0.6019610290709434
Energy: 0.7001274556851818
Energy: 0.6019610290709434
Energy: 0.5881839714469598
Energy: 0.8285431949346648
Energy: 0.5881839714479243
Energy: 0.828543194935147
Energy: 0.585873243000682
Energy: 0.828543194935147
Energy: 0.5929782429079375
Energy: 0.6313694665613057
Energy: 0.5929782429074553
Energy: 0.6313694665613057
Energy: 0.5929782429074553
Energy: 0.6313694665608234
Energy: 0.6110906087376039
Energy: 0.5649749928999236
Energy: 0.6110906087371216
Energy: 0.5649749928994413
Energy: 0.6110906087371216
Energy: 0.5649749928999236
Energy: 0.628688234344938
Energy: 0.7689688249227108
Energy: 0.6286882343454203
Energy: 0.7689688249231931
Energy: 0.6286882343454203
Energy: 0.7689688249231931
Energy: 0.6090747021667625
Energy: 0.8040479222619598
Energy: 0.6090747021662802
Energy: 0.8040479222619598
Energy: 0.6090747021667625
Energy: 0.8040479222614775
Energy: 0.6111767732724294
Energy: 0.545637289854937
Energy: 0.6111767732719472
Energy: 0.545637289854937
Energy: 0.6111767732719472
Energy: 0.545637289854937
Energy: 0.5662708696029225
Energy: 0.6543348480183501
Energy: 0.5662708696014757
Energy: 0.6543348480178678
Energy: 0.5662708696024401
Energy: 0.6543348480188323
Energy: 0.6752190292486383
Energy: 0.7820554495656992
Energy: 0.6752190292486383
Energy: 0.7820554495656992
Energy: 0.6752190292491206
Energy: 0.7820554495661814
Energy: 0.6218530229770602
Energy: 0.6083804399819954
Energy: 0.6218530229760958
Energy: 0.6083804399819954
Energy: 0.6218530229770602
Energy: 0.6083804399815131
Energy: 0.5543707053056498
Energy: 0.6075052854818572
Energy: 0.5543707053056498
Energy: 0.6075052854833042
Energy: 0.5543707053056498
Energy: 0.6075052854828218

minimum gb energy = 0.5354201609523305 eV
minimum distance =  2.34334863506355 Angstroms
sigma value = 81


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

Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.035426331786940095
Energy: 0.06747841407957071
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.4350412251852992
Energy: 0.03606026171049514
Energy: 0.4350412251852992
Energy: 0.03606026180082853
Energy: 0.4350412251870712
Energy: 0.03606026150501989
Energy: 0.4350676132858595
Energy: 0.035960470840143685
Energy: 0.4350676132858595
Energy: 0.03596047085077588
Energy: 0.4350676132858595
Energy: 0.03596047085786402
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.4350412251852992
Energy: 0.03606024880343168
Energy: 0.4350412251852992
Energy: 0.036060248527115396
Energy: 0.4350412251870712
Energy: 0.03606024878925542
Energy: 0.4350676132858595
Energy: 0.035960469015755454
Energy: 0.4350676132858595
Energy: 0.03596046898210697
Energy: 0.4350676132858595
Energy: 0.03596046905119611
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.4350412251870712
Energy: 0.036060235021366654
Energy: 0.4350412251870712
Energy: 0.03606023447582222
Energy: 0.4350412251852992
Energy: 0.03606023503375075
Energy: 0.4350676132858595
Energy: 0.03596046695757973
Energy: 0.4350676132858595
Energy: 0.03596046694517549
Energy: 0.4350676132858595
Energy: 0.03596046695049159
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.035426331786940095
Energy: 0.06747841408134274
Energy: 0.035426331786940095
Energy: 0.06747841408134274

minimum gb energy = 0.035426331786940095 eV
minimum distance =  2.53124518413739 Angstroms
sigma value = 3


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

Energy: 0.8709578758178352
Energy: 0.5448498763729468
Energy: 0.8709578758173049
Energy: 0.5448498763734771
Energy: 0.8709578758178352
Energy: 0.5448498763734771
Energy: 0.5736303580868081
Energy: 0.6384587864462611
Energy: 0.5736303580868081
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Energy: 0.5736303580868081
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Energy: 0.638894287777326
Energy: 0.6431782493257181
Energy: 0.6388942877767958
Energy: 0.643178249325188
Energy: 0.638894287777326
Energy: 0.6431782493257181
Energy: 0.7862369706254092
Energy: 0.577389464266985
Energy: 0.7862369706254092
Energy: 0.5773894642675153
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Energy: 0.5773894642675153
Energy: 0.6180373702615066
Energy: 0.6999426936100981
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Energy: 0.699942693609568
Energy: 0.6180373702620368
Energy: 0.6999426936100981
Energy: 0.5586541086815151
Energy: 0.6204448654681252
Energy: 0.5586541086815151
Energy: 0.6204448654681252
Energy: 0.5586541086820455
Energy: 0.6204448654681252
Energy: 0.721352230186826
Energy: 0.6316199450404917
Energy: 0.721352230186826
Energy: 0.6316199450399614
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Energy: 0.6316199450404917
Energy: 0.6225678835688214
Energy: 0.6897893195059369
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Energy: 0.6897893195043462
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Energy: 0.6897893195043462
Energy: 0.6030974968855709
Energy: 0.6200317015211055
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Energy: 0.6200317015216359
Energy: 0.7331358586219431
Energy: 0.6101135674955448
Energy: 0.7331358586219431
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Energy: 0.7331358586214127
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Energy: 0.5980923617011811
Energy: 0.6779720961210289
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Energy: 0.6779720961220895
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Energy: 0.6327216160022766
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Energy: 0.6017527061361344
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Energy: 0.6794234131648005
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Energy: 0.7056376526466803
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Energy: 0.5994663895943924
Energy: 0.6137684917174852
Energy: 0.5994663895949227
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Energy: 0.6108711375231257
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Energy: 0.6108711375231257
Energy: 0.6745428751385023
Energy: 0.6108711375231257

minimum gb energy = 0.5406066084405979 eV
minimum distance =  2.37140765349505 Angstroms
sigma value = 67


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

Energy: 0.8950986363068834
Energy: 0.7048138280480932
Energy: 0.8950986363068834
Energy: 0.7048138280480932
Energy: 0.8950986363068834
Energy: 0.7048138280480932
Energy: 0.7012416168747699
Energy: 0.7617007905125164
Energy: 0.7012416168747699
Energy: 0.7617007905125164
Energy: 0.7012416168740142
Energy: 0.7617007905125164
Energy: 0.7548730321693846
Energy: 0.762034485396607
Energy: 0.7548730321693846
Energy: 0.7620344853958513
Energy: 0.7548730321693846
Energy: 0.7620344853958513
Energy: 0.8068039538921224
Energy: 0.6911864318242553
Energy: 0.8068039538921224
Energy: 0.6911864318242553
Energy: 0.8068039538921224
Energy: 0.691186431825011
Energy: 0.7551827299814593
Energy: 0.7613117937710151
Energy: 0.7551827299814593
Energy: 0.7613117937702596
Energy: 0.7551827299814593
Energy: 0.7613117937710151
Energy: 0.7345564727970064
Energy: 0.7482574854090998
Energy: 0.7345564727970064
Energy: 0.7482574854083441
Energy: 0.7345564727970064
Energy: 0.7482574854090998
Energy: 0.7546344821910832
Energy: 0.7674555551327403
Energy: 0.7546344821910832
Energy: 0.7674555551327403
Energy: 0.7546344821903276
Energy: 0.7674555551327403
Energy: 0.7364569383040258
Energy: 0.864552912342703
Energy: 0.7364569383047814
Energy: 0.864552912342703
Energy: 0.7364569383040258
Energy: 0.8645529123419474
Energy: 0.797776582439371
Energy: 0.8114881890992852
Energy: 0.7977765824401267
Energy: 0.8114881890992852
Energy: 0.7977765824401267
Energy: 0.8114881890985296
Energy: 0.7406580276663917
Energy: 0.7623833250984936
Energy: 0.7406580276663917
Energy: 0.7623833250984936
Energy: 0.7406580276663917
Energy: 0.7623833250984936
Energy: 0.745333878378088
Energy: 0.7893538509218683
Energy: 0.745333878378088
Energy: 0.7893538509218683
Energy: 0.7453338783788436
Energy: 0.7893538509226238
Energy: 0.7390459152653875
Energy: 0.7678708099872095
Energy: 0.7390459152653875
Energy: 0.7678708099872095
Energy: 0.739045915264632
Energy: 0.7678708099879651
Energy: 0.7402285006833412
Energy: 0.7085667064908525
Energy: 0.7402285006833412
Energy: 0.7085667064908525
Energy: 0.7402285006833412
Energy: 0.7085667064908525
Energy: 0.7464725096733863
Energy: 0.8654768881906378
Energy: 0.7464725096733863
Energy: 0.8654768881906378
Energy: 0.7464725096733863
Energy: 0.8654768881906378
Energy: 0.7299440091572625
Energy: 0.7287558892819154
Energy: 0.7299440091580182
Energy: 0.7287558892819154
Energy: 0.7299440091572625
Energy: 0.7287558892819154
Energy: 0.7186235822039395
Energy: 0.7237245008058455
Energy: 0.7186235822039395
Energy: 0.723724500806601
Energy: 0.7186235822046952
Energy: 0.723724500806601
Energy: 0.7122224927427727
Energy: 0.8693884938026976
Energy: 0.7122224927420171
Energy: 0.8693884938026976
Energy: 0.7122224927420171
Energy: 0.8693884938026976
Energy: 0.7620460158979824
Energy: 0.6747888131001603
Energy: 0.7620460158979824
Energy: 0.6747888131001603
Energy: 0.7620460158979824
Energy: 0.6747888131001603
Energy: 0.855182812887031
Energy: 0.7661842640025821
Energy: 0.8551828128877865
Energy: 0.7661842640025821
Energy: 0.8551828128877865
Energy: 0.7661842640025821
Energy: 0.789391873180529
Energy: 0.7671811893605903
Energy: 0.789391873180529
Energy: 0.7671811893605903
Energy: 0.789391873180529
Energy: 0.7671811893613459
Energy: 0.7422465607697584
Energy: 0.6907048325217053
Energy: 0.7422465607705141
Energy: 0.6907048325217053
Energy: 0.7422465607697584
Energy: 0.6907048325217053
Energy: 0.7658310697082993
Energy: 0.799220784120758
Energy: 0.7658310697082993
Energy: 0.7992207841200023
Energy: 0.7658310697082993
Energy: 0.7992207841200023
Energy: 0.7248378753665997
Energy: 0.7762442159160662
Energy: 0.7248378753673552
Energy: 0.7762442159160662
Energy: 0.7248378753665997
Energy: 0.7762442159160662

minimum gb energy = 0.6747888131001603 eV
minimum distance =  2.3408203714783 Angstroms
sigma value = 33


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

Energy: 0.936826938244339
Energy: 0.7535498548532621
Energy: 0.9368269382448184
Energy: 0.7535498548527827
Energy: 0.9368269382448184
Energy: 0.7535498548532621
Energy: 0.777897394154125
Energy: 0.8458510492030584
Energy: 0.777897394154125
Energy: 0.8458510492035378
Energy: 0.7778973941546043
Energy: 0.8458510492035378
Energy: 0.8471050389913001
Energy: 0.8348894047324963
Energy: 0.8471050389908209
Energy: 0.8348894047324963
Energy: 0.8471050389908209
Energy: 0.8348894047324963
Energy: 0.8429424634933568
Energy: 0.7598534044363519
Energy: 0.8429424634928774
Energy: 0.7598534044363519
Energy: 0.8429424634933568
Energy: 0.7598534044363519
Energy: 0.8693707858027167
Energy: 0.8662979774077544
Energy: 0.8693707858027167
Energy: 0.8662979774077544
Energy: 0.8693707858027167
Energy: 0.8662979774082338
Energy: 0.9346745228199368
Energy: 0.8623458867840849
Energy: 0.9346745228194575
Energy: 0.8478888669081711
Energy: 0.9346745228194575
Energy: 0.8609213980570907
Energy: 0.7798843597488259
Energy: 0.866611296562362
Energy: 0.7798843597488259
Energy: 0.866611296562362
Energy: 0.7798843597493053
Energy: 0.866611296562362
Energy: 0.8347532573413708
Energy: 0.8352234888516529
Energy: 0.8347532573413708
Energy: 0.8352234888516529
Energy: 0.8347532573418502
Energy: 0.8352234888516529
Energy: 0.8307398798419385
Energy: 0.8478683593216182
Energy: 0.8307398798424179
Energy: 0.8478683593211388
Energy: 0.8307398798419385
Energy: 0.8478683593211388
Energy: 0.8928448551814239
Energy: 0.7946544903009879
Energy: 0.8928448551814239
Energy: 0.7946544903009879
Energy: 0.8928448551809446
Energy: 0.7946544903009879
Energy: 0.8218022147803876
Energy: 0.9060330538298343
Energy: 0.8218022147808669
Energy: 0.906033053829355
Energy: 0.8218022147808669
Energy: 0.906033053829355
Energy: 0.7778617613973963
Energy: 0.7871347150118027
Energy: 0.7778617613969169
Energy: 0.7871347150118027
Energy: 0.7778617613973963
Energy: 0.7871347150118027
Energy: 0.9345286891275973
Energy: 0.7912310020786356
Energy: 0.934528689128556
Energy: 0.7912310020781562
Energy: 0.934528689128556
Energy: 0.7912310020786356
Energy: 0.802854079851369
Energy: 0.8319441523853233
Energy: 0.802854079851369
Energy: 0.8319441523853233
Energy: 0.802854079851369
Energy: 0.8319441523858024
Energy: 0.8190817637173621
Energy: 0.8071773484335913
Energy: 0.8190817637178415
Energy: 0.8071773484340707
Energy: 0.8190817637173621
Energy: 0.8071773484335913
Energy: 0.8429035995278895
Energy: 0.8569720318078995
Energy: 0.8429035995278895
Energy: 0.8569720318078995
Energy: 0.8429035995283688
Energy: 0.8569720318078995
Energy: 0.8558097837895859
Energy: 0.8369885569377554
Energy: 0.8558097837895859
Energy: 0.8369885569377554
Energy: 0.8558097837891065
Energy: 0.8369885569377554
Energy: 0.8771606037689407
Energy: 0.8903059401235834
Energy: 0.8771606037684614
Energy: 0.8903059401235834
Energy: 0.8771606037689407
Energy: 0.8903059401235834
Energy: 0.829905332080658
Energy: 0.8910917848809417
Energy: 0.829905332080658
Energy: 0.8910917848809417
Energy: 0.829905332080658
Energy: 0.8910917848814212
Energy: 0.8794298860352462
Energy: 0.8668640157012003
Energy: 0.8794298860347669
Energy: 0.8668640157002852
Energy: 0.8794298860352462
Energy: 0.8668640157012003
Energy: 0.87542691558968
Energy: 0.8441641033638935
Energy: 0.87542691558968
Energy: 0.8441641033638935
Energy: 0.87542691558968
Energy: 0.8441641033638935
Energy: 0.819422004686827
Energy: 0.7641830812596614
Energy: 0.819422004686827
Energy: 0.7641830812596614
Energy: 0.8194220046863477
Energy: 0.7641830812596614
Energy: 0.782729607147609
Energy: 0.9060643847445277
Energy: 0.782729607147609
Energy: 0.906064384745007
Energy: 0.782729607147609
Energy: 0.906064384745007
Energy: 0.8824701925128302
Energy: 0.8049381082830211
Energy: 0.8824701925128302
Energy: 0.8049381082825418
Energy: 0.8824701925123509
Energy: 0.8049381082825418
Energy: 0.7776196613830613
Energy: 0.7851221837575576
Energy: 0.7776196613835406
Energy: 0.7851221837575576
Energy: 0.77761966138402
Energy: 0.785122183758037
Energy: 0.7828843950894613
Energy: 0.9090428218348461
Energy: 0.7828843950889819
Energy: 0.9090428218348461
Energy: 0.7828843950889819
Energy: 0.9090428218348461
Energy: 0.7796009511572471
Energy: 0.7617192594581151
Energy: 0.7796009511582058
Energy: 0.7617192594585945
Energy: 0.7796009511577264
Energy: 0.7617192594581151
Energy: 0.8872260391900734
Energy: 0.885112580942726
Energy: 0.8872260391900734
Energy: 0.885112580942726
Energy: 0.8872260391900734
Energy: 0.885112580942726
Energy: 0.8811611253955945
Energy: 0.9893547249424457
Energy: 0.8811611253951152
Energy: 0.9893547249424457
Energy: 0.8811611253955945
Energy: 0.9893547249424457
Energy: 0.7808014548105475
Energy: 0.8103236161633123
Energy: 0.7808014548100682
Energy: 0.810323616164271
Energy: 0.7808014548105475
Energy: 0.810323616164271
Energy: 0.9178428595314762
Energy: 0.9093419331677572
Energy: 0.9178428595314762
Energy: 0.9093419331682366
Energy: 0.9178428595314762
Energy: 0.9093419331677572
Energy: 0.8681127524229584
Energy: 0.8677282027883727
Energy: 0.8681127524229584
Energy: 0.8677282027883727
Energy: 0.8681127524229584
Energy: 0.8677282027883727
Energy: 0.8404165611595933
Energy: 0.8431887863446254
Energy: 0.8404165611600727
Energy: 0.8431887863446254
Energy: 0.8404165611600727
Energy: 0.843188786344146
Energy: 0.8198841438265232
Energy: 0.8457555012481446
Energy: 0.8198841438265232
Energy: 0.8457555012481446
Energy: 0.8198841438265232
Energy: 0.8457555012481446
Energy: 0.8050123984286468
Energy: 0.8336225996390255
Energy: 0.8050123984291262
Energy: 0.8336225996395048
Energy: 0.8050123984286468
Energy: 0.8336225996395048
Energy: 0.9378357166872341
Energy: 0.7905883197406813
Energy: 0.937835716688672
Energy: 0.7905883197406813
Energy: 0.9378357166877133
Energy: 0.7905883197406813
Energy: 0.7799706080308008
Energy: 0.826975897642628
Energy: 0.7799706080312799
Energy: 0.8269758976416693
Energy: 0.7799706080312799
Energy: 0.8269758976411902

minimum gb energy = 0.7535498548527827 eV
minimum distance =  2.35093106146992 Angstroms
sigma value = 41


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

Energy: 0.9812472881362733
Energy: 0.8615192978450718
Energy: 0.9812472881375819
Energy: 0.8615192978450718
Energy: 0.9812472881375819
Energy: 0.8615192978450718
Energy: 0.8640235893544205
Energy: 0.9398222004188128
Energy: 0.8640235893544205
Energy: 0.9398222004188128
Energy: 0.8640235893544205
Energy: 0.9398222004188128
Energy: 1.1626062156095618
Energy: 0.9591259983290678
Energy: 1.0287897506452164
Energy: 0.9591259983303765
Energy: 1.0287897506949186
Energy: 0.9591259983290678
Energy: 0.9708168292385437
Energy: 0.9488366382285824
Energy: 0.9708168292385437
Energy: 0.9488366382285824
Energy: 0.9708168292385437
Energy: 0.9488366382285824
Energy: 0.9413826829410561
Energy: 0.9485559816343624
Energy: 0.9413826829410561
Energy: 0.9485559816343624
Energy: 0.9413826829423648
Energy: 0.9485559816343624
Energy: 1.0780595098739292
Energy: 0.9887141915842279
Energy: 1.0780595098739292
Energy: 0.9887141915842279
Energy: 1.0780595098739292
Energy: 0.9887141915842279
Energy: 0.9687348658439183
Energy: 0.8797377737736422
Energy: 0.9687348658439183
Energy: 0.8797377737736422
Energy: 0.9687348658439183
Energy: 0.8797377737736422
Energy: 0.9322215191341274
Energy: 0.9596120049370288
Energy: 0.9322215191341274
Energy: 0.9596120049370288
Energy: 0.9322215191341274
Energy: 0.9596120049370288
Energy: 0.8659065161246986
Energy: 0.8881338902671799
Energy: 0.8659065161246986
Energy: 0.8881338902671799
Energy: 0.8659065161246986
Energy: 0.8881338902684887
Energy: 1.0259827288433871
Energy: 0.8870963901245791
Energy: 1.0259827288433871
Energy: 0.8870963901245791
Energy: 1.0259827288433871
Energy: 0.8870963901245791
Energy: 0.9357942397909557
Energy: 0.9594704521823111
Energy: 0.9357942397909557
Energy: 0.9594704521836199
Energy: 0.9357942397909557
Energy: 0.9594704521823111
Energy: 0.9621834606827633
Energy: 0.928823731913775
Energy: 0.9621834606827633
Energy: 0.928823731913775
Energy: 0.9621834606827633
Energy: 0.928823731913775
Energy: 0.9340146936413891
Energy: 0.9500486913103151
Energy: 0.9340146936413891
Energy: 0.9500486913103151
Energy: 0.9340146936413891
Energy: 0.9500486913103151
Energy: 0.9386622232807983
Energy: 0.9397102363087023
Energy: 0.9386622232807983
Energy: 0.9397102363087023
Energy: 0.9386622232807983
Energy: 0.9397102363087023

minimum gb energy = 0.8615192978450718 eV
minimum distance =  2.31890838474189 Angstroms
sigma value = 11


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

Energy: 1.1338057675633744
Energy: 1.0446996234986468
Energy: 1.1338057675633744
Energy: 1.0446996234992219
Energy: 1.1338057675633744
Energy: 1.0446996234986468
Energy: 1.0688222873898352
Energy: 1.0631437161352646
Energy: 1.0688222873898352
Energy: 1.0631437161352646
Energy: 1.0688222873898352
Energy: 1.0631437161352646
Energy: 1.0810754509024805
Energy: 1.0712291955271493
Energy: 1.0810754509019054
Energy: 1.0712291955271493
Energy: 1.1103191078626942
Energy: 1.0712291955265743
Energy: 1.0584837772292626
Energy: 0.9378986786407925
Energy: 1.0584837772292626
Energy: 0.9378986786413673
Energy: 1.0584837772292626
Energy: 0.9378986786413673
Energy: 1.051544771579557
Energy: 1.0091148581856815
Energy: 1.0515447715801318
Energy: 1.0091148581856815
Energy: 1.0515447715801318
Energy: 1.0091148581856815
Energy: 0.9863319057648897
Energy: 1.024685367204508
Energy: 0.9863319057648897
Energy: 1.024685367204508
Energy: 0.9863319057648897
Energy: 1.024685367204508
Energy: 1.1087383295921576
Energy: 1.0084148350354123
Energy: 1.1087383295921576
Energy: 1.0084148350359874
Energy: 1.1087383295921576
Energy: 1.0084148350359874
Energy: 1.0533773840037577
Energy: 1.046029654727255
Energy: 1.0533773840037577
Energy: 1.04602965472668
Energy: 1.0533773840037577
Energy: 1.046029654727255
Energy: 1.018109227094144
Energy: 1.05195647036153
Energy: 1.018109227094144
Energy: 1.05195647036153
Energy: 1.018109227094144
Energy: 1.05195647036153
Energy: 1.0086711177410177
Energy: 1.0036562294358629
Energy: 1.0086711177410177
Energy: 1.0036562294358629
Energy: 1.0086711177410177
Energy: 1.0036562294358629
Energy: 0.9467619742244728
Energy: 1.089806456336616
Energy: 0.9467619742244728
Energy: 1.089806456336616
Energy: 0.9467619742250477
Energy: 1.089806456336616
Energy: 1.048086560423568
Energy: 1.0422513453660405
Energy: 1.048086560423568
Energy: 1.0422513453660405
Energy: 1.048086560423568
Energy: 1.0422513453654656
Energy: 1.1065650146953752
Energy: 1.0148719009931242
Energy: 1.1065650146953752
Energy: 1.014871900993699
Energy: 1.1065650146948003
Energy: 1.014871900993699
Energy: 1.01495623317351
Energy: 1.078694576100788
Energy: 1.0149562331740847
Energy: 1.078694576100788
Energy: 1.0149562331740847
Energy: 1.078694576100788
Energy: 1.0166774737524444
Energy: 1.0088737267518242
Energy: 1.0166774737518698
Energy: 1.0088737267512755
Energy: 1.0166774737518698
Energy: 1.0088737267512755
Energy: 1.042924915177817
Energy: 1.038941537717064
Energy: 1.042924915177817
Energy: 1.038941537717064
Energy: 1.042924915177817
Energy: 1.038941537717064
Energy: 0.9444276867706646
Energy: 1.1758436075623304
Energy: 0.9444276867706646
Energy: 1.1758436075623304
Energy: 0.9444276867700895
Energy: 1.1758436075623304
Energy: 1.1124603401975501
Energy: 1.101342099463119
Energy: 1.1124603401975501
Energy: 1.101342099463119
Energy: 1.1124603401975501
Energy: 1.101342099463119
Energy: 1.0714097294764084
Energy: 0.943246310586389
Energy: 1.0714097294764084
Energy: 0.943246310586389
Energy: 1.0714097294758338
Energy: 0.943246310586389
Energy: 1.0434159493320423
Energy: 1.0283125859702278
Energy: 1.0434159493320423
Energy: 1.0283125859702278
Energy: 1.0434159493320423
Energy: 1.0283125859702278
Energy: 0.9951718868898557
Energy: 0.9698419896728321
Energy: 0.9951718868898557
Energy: 0.9698419896728321
Energy: 0.9951718868898557
Energy: 0.9698419896728321
Energy: 1.0900144378175178
Energy: 1.0700482768308242
Energy: 1.090014437816943
Energy: 1.0700482768308242
Energy: 1.090014437816943
Energy: 1.0700482768308242
Energy: 1.0377034300059895
Energy: 1.0331875448074708
Energy: 1.0377034300059895
Energy: 1.0331875448074708
Energy: 1.0377034300059895
Energy: 1.033187544806896
Energy: 1.0634436690522269
Energy: 1.0462346418907331
Energy: 1.0634436690522269
Energy: 1.0462346418907331
Energy: 1.0634436690522269
Energy: 1.0462346418907331
Energy: 0.9970871389822702
Energy: 0.9912618438923388
Energy: 0.9970871389828451
Energy: 0.9912618438917639
Energy: 0.9970871389828451
Energy: 0.9912618438917639
Energy: 0.9590224385644608
Energy: 1.0839158687855401
Energy: 0.9590224385644608
Energy: 1.0839158687855401
Energy: 0.9590224385644608
Energy: 1.083915868786115
Energy: 1.0401482036879366
Energy: 1.0729697679840102
Energy: 1.0401482036879366
Energy: 1.072969767983435
Energy: 1.0401482036873617
Energy: 1.0729697679840102
Energy: 1.0789333457186294
Energy: 1.0396105009894836
Energy: 1.0789333457186294
Energy: 1.0396105009894836
Energy: 1.0789333457186294
Energy: 1.0396105009894836
Energy: 1.0023695135877428
Energy: 1.0933306073745221
Energy: 1.002369513588318
Energy: 1.0933306073745221
Energy: 1.0023695135877428
Energy: 1.0933306073745221
Energy: 0.9828064171224327
Energy: 0.9281000211013641
Energy: 0.9828064171218575
Energy: 0.928100021101939
Energy: 0.9828064171218575
Energy: 0.928100021101939
Energy: 1.0577148083824408
Energy: 1.0776030780899357
Energy: 1.0577148083818657
Energy: 1.0776030780899357
Energy: 1.0577148083818657
Energy: 1.0776030780899357

minimum gb energy = 0.9281000211013641 eV
minimum distance =  2.33468391814458 Angstroms
sigma value = 57


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

Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0239074320455015
Energy: 1.2015668698513342
Energy: 1.0239074320465245
Energy: 1.2015668698513342
Energy: 1.0239074320444783
Energy: 1.2015668698513342
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.062563601817859
Energy: 0.981527210737546
Energy: 1.062563601817859
Energy: 0.981527210737546
Energy: 1.062563601817859
Energy: 0.981527210737546
Energy: 1.0866085585962681
Energy: 0.9539974705623989
Energy: 1.0866085585962681
Energy: 0.9539974705623989
Energy: 1.0866085585962681
Energy: 0.9539974705623989
Energy: 1.0238744003200422
Energy: 0.9192935361325854
Energy: 1.0238744003200422
Energy: 0.9192935361336084
Energy: 1.0238744003210654
Energy: 0.9192935361325854
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0239074320465245
Energy: 1.2015668698513342
Energy: 1.0239074320465245
Energy: 1.2015668698513342
Energy: 1.0239074320475474
Energy: 1.2015668698523574
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.086603452255157
Energy: 0.9539781814751154
Energy: 1.062563601817859
Energy: 1.3425125072705997
Energy: 1.062563601816836
Energy: 1.3425125072705997
Energy: 1.062563601816836
Energy: 1.3425125072705997
Energy: 1.0866085585962681
Energy: 0.9539974705613758
Energy: 1.0866085585962681
Energy: 0.9539974705613758
Energy: 1.0866085585962681
Energy: 0.9539974705613758
Energy: 1.023874400319019
Energy: 0.9192935361336084
Energy: 1.0238744003200422
Energy: 0.9192935361336084
Energy: 1.023874400319019
Energy: 0.9192935361336084
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0255855861643859
Energy: 0.9137283499349658
Energy: 1.0239074320475474
Energy: 1.2015668698513342
Energy: 1.0239074320485708
Energy: 1.2015668698513342
Energy: 1.0239074320465245
Energy: 1.2015668698523574
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.086603452254134
Energy: 0.9539781814751154
Energy: 1.062563601817859
Energy: 1.3425125072695767
Energy: 1.062563601817859
Energy: 1.3425125072705997
Energy: 1.062563601817859
Energy: 1.3425125072695767
Energy: 1.0866085585962681
Energy: 0.9539974705623989
Energy: 1.0866085585962681
Energy: 0.9539974705623989
Energy: 1.0866085585962681
Energy: 0.9539974705623989

minimum gb energy = 0.9137283499349658 eV
minimum distance =  2.34381661035053 Angstroms
sigma value = 9


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

Energy: 1.042962105317477
Energy: 1.0798098048585663
Energy: 1.042962105317477
Energy: 1.0798098048585663
Energy: 1.042962105317477
Energy: 1.0798098048585663
Energy: 1.0690201877686532
Energy: 1.0535335945997755
Energy: 1.0690201877678176
Energy: 1.053533594601446
Energy: 1.0690201877686532
Energy: 1.0535335946006108
Energy: 1.0989952251785093
Energy: 1.0494901824891094
Energy: 1.1238792149751267
Energy: 1.0494901824891094
Energy: 1.123879214975962
Energy: 1.0494901824891094
Energy: 1.0499030760165478
Energy: 1.1009606710129434
Energy: 1.0499030760165478
Energy: 1.1009606710129434
Energy: 1.049903076017383
Energy: 1.1009606710129434
Energy: 1.0787429763979972
Energy: 1.0690487395142545
Energy: 1.0787429763979972
Energy: 1.0690487395142545
Energy: 1.0787429763979972
Energy: 1.0690487395142545
Energy: 1.0225775206601002
Energy: 1.0025064986853882
Energy: 1.0225775206601002
Energy: 1.0025064986853882
Energy: 1.0225775206601002
Energy: 1.0025064986845527
Energy: 0.9897365934498007
Energy: 1.0412697818017111
Energy: 0.9897365934506361
Energy: 1.0412697818000405
Energy: 0.9897365934498007
Energy: 1.0412697818000405
Energy: 1.0226155178013037
Energy: 1.0399403303998433
Energy: 1.022615517799633
Energy: 1.0399403303998433
Energy: 1.0226155178004683
Energy: 1.0399403303998433
Energy: 1.1853521027919494
Energy: 1.0679763695243165
Energy: 1.185352102792785
Energy: 1.0679763695251518
Energy: 1.185352102792785
Energy: 1.0679763695243165
Energy: 1.0263788276959707
Energy: 1.0270069866597566
Energy: 1.0263788276968062
Energy: 1.0270069866597566
Energy: 1.0263788276968062
Energy: 1.0270069866597566
Energy: 1.0036990403148134
Energy: 1.0664616695803064
Energy: 1.0036990403148134
Energy: 1.0664616695811417
Energy: 1.0036990403156485
Energy: 1.0664616695811417
Energy: 1.0772379239935912
Energy: 1.0369341387393818
Energy: 1.0772379239935912
Energy: 1.0369341387393818
Energy: 1.077237923992756
Energy: 1.0369341387393818
Energy: 1.013753294270193
Energy: 1.20549190573989
Energy: 1.013753294270193
Energy: 1.20549190573989
Energy: 1.0137532942693577
Energy: 1.20549190573989
Energy: 1.0167092365965151
Energy: 1.0840759714244514
Energy: 1.0167092365965151
Energy: 1.0840759714252866
Energy: 1.0167092365965151
Energy: 1.0840759714252866
Energy: 1.182689565171816
Energy: 1.0646745554408723
Energy: 1.182689565171816
Energy: 1.0646745554408723
Energy: 1.182689565171816
Energy: 1.0646745554408723
Energy: 1.028312252701234
Energy: 1.0537961706888563
Energy: 1.0283122527020692
Energy: 1.0537961706888563
Energy: 1.0283122527020692
Energy: 1.053796170688021
Energy: 1.0840575509933734
Energy: 1.0758740071124222
Energy: 1.084057550992538
Energy: 1.0758740071115866
Energy: 1.084057550992538
Energy: 1.0758740071115866
Energy: 1.1511158592768616
Energy: 1.0628507877686069
Energy: 1.1511158592760264
Energy: 1.0628507877686069
Energy: 1.1511158592760264
Energy: 1.0628507877694422
Energy: 0.9904497071392202
Energy: 1.0837597949474351
Energy: 0.9904497071392202
Energy: 1.0837597949474351
Energy: 0.9904497071392202
Energy: 1.0837597949474351
Energy: 1.1328479162907612
Energy: 1.101001841586306
Energy: 1.1328479162899256
Energy: 1.101001841586306
Energy: 1.1328479162907612
Energy: 1.101001841586306
Energy: 1.073998143874816
Energy: 1.035645886589193
Energy: 1.0739981438756514
Energy: 1.035645886589193
Energy: 1.0739981438756514
Energy: 1.035645886589193

minimum gb energy = 0.9897365934498007 eV
minimum distance =  2.33822800637865 Angstroms
sigma value = 27


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

Energy: 1.000862675618077
Energy: 1.0348166656055302
Energy: 1.000862675618077
Energy: 1.0348166656055302
Energy: 1.000862675618781
Energy: 1.0348166656055302
Energy: 0.9791819737252254
Energy: 1.0190568709468617
Energy: 0.9791819737252254
Energy: 1.0190568709468617
Energy: 0.9791819737252254
Energy: 1.0190568709468617
Energy: 1.0497714408947698
Energy: 0.97960471849717
Energy: 1.0497714408940655
Energy: 0.97960471849717
Energy: 1.0497714408989944
Energy: 0.979604718497874
Energy: 0.9455493496912581
Energy: 0.9820459349358703
Energy: 0.9455493496912581
Energy: 0.9820459349351662
Energy: 0.9455493496905539
Energy: 0.9820459349358703
Energy: 0.9661613120380372
Energy: 0.995086026489487
Energy: 0.9661613120380372
Energy: 0.995086026489487
Energy: 0.9661613120380372
Energy: 0.9950860264901912
Energy: 0.9180666805817382
Energy: 0.9493231362239495
Energy: 0.9180666805824425
Energy: 0.9493231362239495
Energy: 0.9180666805831464
Energy: 0.9493231362239495
Energy: 0.978173808719475
Energy: 1.0010105979259272
Energy: 0.978173808719475
Energy: 1.0010105979259272
Energy: 0.978173808719475
Energy: 1.0010105979259272
Energy: 1.025713155068097
Energy: 1.0489416870850188
Energy: 1.0257131550688008
Energy: 1.0489416870857229
Energy: 1.0257131550688008
Energy: 1.0489416870857229
Energy: 0.9969408497271294
Energy: 0.94953060896378
Energy: 0.9969408497271294
Energy: 0.94953060896378
Energy: 0.9969408497271294
Energy: 0.94953060896378
Energy: 0.9455579058176355
Energy: 0.9830261603910556
Energy: 0.9455579058176355
Energy: 0.9830261603910556
Energy: 0.9455579058176355
Energy: 0.9830261603910556
Energy: 0.9454510236624165
Energy: 1.026502310837029
Energy: 0.9454510236624165
Energy: 1.026502310837029
Energy: 0.9454510236617126
Energy: 1.0265023108377334
Energy: 0.9990552358146638
Energy: 0.978233235871028
Energy: 0.9990552358146638
Energy: 0.978233235870324
Energy: 0.9990552358146638
Energy: 0.978233235871028
Energy: 0.9965637277058211
Energy: 0.9930563236886382
Energy: 0.9965637277065252
Energy: 0.9930563236886382
Energy: 0.9965637277058211
Energy: 0.9930563236886382
Energy: 0.9457246326427579
Energy: 0.9976556707886741
Energy: 0.9457246326427579
Energy: 0.9976556707886741
Energy: 0.9457246326427579
Energy: 0.9976556707886741
Energy: 0.9181441429356872
Energy: 0.9489202550809084
Energy: 0.9181441429349833
Energy: 0.9489202550809084
Energy: 0.9181441429356872
Energy: 0.9489202550809084
Energy: 1.0179550330816973
Energy: 0.9730128041547902
Energy: 1.0179550330816973
Energy: 0.9730128041547902
Energy: 1.0179550330816973
Energy: 0.9730128041547902
Energy: 0.9766835775195285
Energy: 1.0287788874352353
Energy: 0.9766835775195285
Energy: 1.0287788874373476
Energy: 0.9766835775202325
Energy: 1.028778887434531
Energy: 0.9907710597102656
Energy: 0.9796473915188532
Energy: 0.9907710597102656
Energy: 0.9796473915188532
Energy: 0.9907710597102656
Energy: 0.9796473915188532
Energy: 1.0225776693904187
Energy: 1.0029733071171418
Energy: 1.0225776693904187
Energy: 1.0029733071171418
Energy: 1.0225776693911228
Energy: 1.0029733071171418
Energy: 1.000862675618077
Energy: 1.0348166656055302
Energy: 1.0008626756173729
Energy: 1.0348166656055302
Energy: 1.000862675618077
Energy: 1.0348166656055302
Energy: 0.9791819737252254
Energy: 1.0190568709468617
Energy: 0.9791819737259294
Energy: 1.0190568709468617
Energy: 0.9791819737252254
Energy: 1.0190568709475658
Energy: 1.0497714408975864
Energy: 0.9796047184992825
Energy: 1.0497714409045957
Energy: 0.9796047184992825
Energy: 1.0497714409032193
Energy: 0.9796047184992825
Energy: 0.9455493496905539
Energy: 0.9820459349358703
Energy: 0.9455493496905539
Energy: 0.9820459349358703
Energy: 0.9455493496905539
Energy: 0.9820459349358703
Energy: 0.9661613120394454
Energy: 0.995086026489487
Energy: 0.9661613120394454
Energy: 0.995086026489487
Energy: 0.9661613120387414
Energy: 0.995086026489487
Energy: 0.9180666805810341
Energy: 0.9493231362232454
Energy: 0.9180666805838507
Energy: 0.9493231362232454
Energy: 0.9180666805817382
Energy: 0.9493231362232454

minimum gb energy = 0.9180666805810341 eV
minimum distance =  2.36308388750664 Angstroms
sigma value = 19


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

Energy: 0.9522831612703965
Energy: 1.1083444107938205
Energy: 0.9522831612697887
Energy: 1.1083444107938205
Energy: 0.9522831612697887
Energy: 1.1083444107938205
Energy: 1.0296297749127468
Energy: 0.9688402607045402
Energy: 1.0296297749127468
Energy: 0.9688402607045402
Energy: 1.0296297749127468
Energy: 0.9688402607045402
Energy: 1.17641061900693
Energy: 0.9271007271049405
Energy: 1.1186738820292583
Energy: 0.9271007271049405
Energy: 1.1186738820286504
Energy: 0.9271007271049405
Energy: 0.9185975124575644
Energy: 1.0118968555719041
Energy: 0.9185975124569566
Energy: 1.0118968555719041
Energy: 0.9185975124575644
Energy: 1.0118968555719041
Energy: 0.9784087231569997
Energy: 1.0304180977508084
Energy: 0.9784087231569997
Energy: 1.0304180977502004
Energy: 0.9784087231569997
Energy: 1.0304180977508084
Energy: 1.032074700834485
Energy: 0.9242784220010853
Energy: 1.032074700835093
Energy: 0.9242784220004775
Energy: 1.032074700834485
Energy: 0.9242784220010853
Energy: 0.9374399901338306
Energy: 1.1104896680911147
Energy: 0.9374399901338306
Energy: 1.1104896680911147
Energy: 0.9374399901338306
Energy: 1.1104896680911147
Energy: 0.9440915973526781
Energy: 1.1377195394492758
Energy: 0.9440915973526781
Energy: 1.1377195394492758
Energy: 0.9440915973526781
Energy: 1.1377195394492758
Energy: 1.022613946785051
Energy: 0.905073532470535
Energy: 1.022613946785051
Energy: 0.905073532470535
Energy: 1.022613946785051
Energy: 0.905073532470535
Energy: 1.0031271259987455
Energy: 1.0133499341288437
Energy: 1.0031271259987455
Energy: 1.0133499341294516
Energy: 1.0031271259987455
Energy: 1.0133499341294516
Energy: 0.9062839243086397
Energy: 1.1402133042266427
Energy: 0.9062839243086397
Energy: 1.1402133042266427
Energy: 0.9062839243086397
Energy: 1.1402133042266427
Energy: 1.047754475999059
Energy: 0.9232702536486166
Energy: 1.047754475999059
Energy: 0.9232702536486166
Energy: 1.047754475999059
Energy: 0.9232702536486166
Energy: 1.001450886536812
Energy: 0.9749999012122668
Energy: 1.001450886536812
Energy: 0.974999901211659
Energy: 1.0014508865362042
Energy: 0.974999901211659
Energy: 0.9227073656213868
Energy: 1.010590312980907
Energy: 0.9227073656213868
Energy: 1.010590312980907
Energy: 0.9227073656213868
Energy: 1.010590312980907
Energy: 1.083388834782811
Energy: 0.9538596318074288
Energy: 1.083388834782203
Energy: 0.9538596318074288
Energy: 1.083388834782811
Energy: 0.9538596318074288
Energy: 1.131484423867249
Energy: 0.905158075355958
Energy: 1.131484423867249
Energy: 0.9051580753553502
Energy: 1.131484423867249
Energy: 0.905158075355958
Energy: 0.9294006229351327
Energy: 1.014258831199553
Energy: 0.9294006229351327
Energy: 1.014258831199553
Energy: 0.9294006229351327
Energy: 1.014258831199553
Energy: 1.014599930337446
Energy: 1.114916146952065
Energy: 1.014599930337446
Energy: 1.114916146952065
Energy: 1.014599930337446
Energy: 1.114916146952065
Energy: 1.1460013407712284
Energy: 0.9228342551167933
Energy: 1.1460013407712284
Energy: 0.9228342551167933
Energy: 1.0649086138327415
Energy: 0.9228342551167933
Energy: 0.9313220178245297
Energy: 1.0291397439067822
Energy: 0.9313220178251375
Energy: 1.0291397439067822
Energy: 0.9313220178251375
Energy: 1.0291397439067822
Energy: 0.9016725980080774
Energy: 1.1557397526524908
Energy: 0.9016725980080774
Energy: 1.1557397526524908
Energy: 0.9016725980080774
Energy: 1.1557397526524908
Energy: 1.0424625904297162
Energy: 0.9270064920382717
Energy: 1.0424625904297162
Energy: 0.9270064920382717
Energy: 1.0424625904291085
Energy: 0.9270064920382717
Energy: 1.0441775514092715
Energy: 1.078394522693749
Energy: 1.0441775514092715
Energy: 1.078394522693749
Energy: 1.0441775514092715
Energy: 1.078394522693749
Energy: 0.9444488864461136
Energy: 1.1253835715967975
Energy: 0.9444488864467214
Energy: 1.1253835715967975
Energy: 0.9444488864461136
Energy: 1.1253835715967975
Energy: 0.9661170507574436
Energy: 0.9270838956596968
Energy: 0.9661170507574436
Energy: 0.9270838956596968
Energy: 0.9661170507574436
Energy: 0.9270838956596968
Energy: 1.0634575652082032
Energy: 0.9194307680475641
Energy: 1.0634575652075953
Energy: 0.9194307680481719
Energy: 1.0634575652082032
Energy: 0.9194307680475641
Energy: 0.9029200819105095
Energy: 0.9796657328232451
Energy: 0.9029200819105095
Energy: 0.9796657328232451
Energy: 0.9029200819105095
Energy: 0.9796657328232451
Energy: 1.048622267258073
Energy: 0.9223439362170247
Energy: 1.048622267258073
Energy: 0.9223439362170247
Energy: 1.048622267258073
Energy: 0.9223439362170247
Energy: 1.0063656401394638
Energy: 0.9224050463721741
Energy: 1.0063656401394638
Energy: 0.9224050463721741
Energy: 1.0063656401394638
Energy: 0.9224050463721741

minimum gb energy = 0.9016725980080774 eV
minimum distance =  2.33357814736238 Angstroms
sigma value = 101


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

Energy: 0.894099902771959
Energy: 1.0334993656805231
Energy: 0.894099902771959
Energy: 1.0334993656805231
Energy: 0.8940999027714249
Energy: 1.0334993656810574
Energy: 0.9554629310791618
Energy: 0.9073384108286154
Energy: 0.9554629310786275
Energy: 0.8786803443500338
Energy: 0.9554629310780932
Energy: 0.8786803443500338
Energy: 1.0146169170974704
Energy: 0.8812664900938006
Energy: 1.0146169170974704
Energy: 0.8812664900938006
Energy: 1.014616917098005
Energy: 0.8812664900943348
Energy: 0.8568243013433685
Energy: 1.2626930890078911
Energy: 0.8568243013433685
Energy: 1.116821225483877
Energy: 0.8568243013433685
Energy: 1.1168212254833425
Energy: 0.9314076811526737
Energy: 0.9798186966280464
Energy: 0.9314076811526737
Energy: 0.9798186966280464
Energy: 0.9314076811526737
Energy: 0.9798186966280464
Energy: 0.9892056750375937
Energy: 0.8683105489006275
Energy: 0.9892056750375937
Energy: 0.8683105489006275
Energy: 0.989205675038128
Energy: 0.8683105489011618
Energy: 0.8785439432727444
Energy: 1.1476410760502156
Energy: 0.8785439432722102
Energy: 1.1476410760507498
Energy: 0.8785439432727444
Energy: 1.1476410760502156
Energy: 0.8681501740831936
Energy: 1.1410603253881402
Energy: 0.8681501740826595
Energy: 1.0634441646401045
Energy: 0.8681501740826595
Energy: 1.06344416463957
Energy: 1.0020866848886048
Energy: 0.869656636811036
Energy: 1.0020866848886048
Energy: 0.8696566368115703
Energy: 1.0020866848886048
Energy: 0.869656636811036
Energy: 0.9320058045628866
Energy: 0.996453599376225
Energy: 0.9320058045628866
Energy: 0.9964535993756907
Energy: 0.9320058045628866
Energy: 0.9964535993767591
Energy: 0.855582650399096
Energy: 1.052466006406847
Energy: 0.855582650399096
Energy: 1.052466006406847
Energy: 0.855582650399096
Energy: 1.052466006406847
Energy: 1.0404986959337086
Energy: 0.8784347999645478
Energy: 1.04049869593264
Energy: 0.8784347999645478
Energy: 1.0404986959337086
Energy: 0.8784347999645478
Energy: 0.9870890582614213
Energy: 0.8815851490576637
Energy: 0.9870890582614213
Energy: 0.8815851490571296
Energy: 0.9870890582614213
Energy: 0.8815851490576637
Energy: 0.894166930479081
Energy: 1.1344320471284346
Energy: 0.8941669304796153
Energy: 1.1344320471284346
Energy: 0.894166930479081
Energy: 1.1449534954783944
Energy: 0.9961253594198564
Energy: 0.9690818328726056
Energy: 0.9961253594203907
Energy: 0.9690818328726056
Energy: 0.9961253594198564
Energy: 0.9690818328731398
Energy: 1.0134167011685695
Energy: 0.8836024051370279
Energy: 1.0134167011685695
Energy: 0.8836024051370279
Energy: 1.0134167011685695
Energy: 0.8836024051375622
Energy: 0.8556419055549909
Energy: 1.2249497472872437
Energy: 0.8556419055555251
Energy: 1.2249497472872437
Energy: 0.8556419055549909
Energy: 1.2249497472872437
Energy: 0.8558421216160647
Energy: 0.9796538440714064
Energy: 0.8558421216160647
Energy: 0.9796538440719406
Energy: 0.8558421216160647
Energy: 0.9796538440719406
Energy: 0.9890276471619754
Energy: 0.869622216879214
Energy: 0.9890276471619754
Energy: 0.8696222168797481
Energy: 0.9890276471625096
Energy: 0.8696222168797481
Energy: 0.8793454310827299
Energy: 0.9801285247273984
Energy: 0.8793454310880728
Energy: 0.9801285247273984
Energy: 0.8793454310843329
Energy: 0.9801285247268643
Energy: 0.870269540459634
Energy: 1.0930464032688931
Energy: 0.870269540459634
Energy: 1.0930464032694274
Energy: 0.870269540459634
Energy: 1.0930464032694274
Energy: 1.2089640475516548
Energy: 0.8685489199451812
Energy: 1.20896404755112
Energy: 0.8685489199451812
Energy: 1.2089640475516548
Energy: 0.8685489199451812
Energy: 1.0140681805595622
Energy: 0.8688985595230149
Energy: 1.014068180559028
Energy: 0.8688985595235491
Energy: 1.0140681805595622
Energy: 0.8688985595230149
Energy: 0.8568161224291787
Energy: 0.9828422745066546
Energy: 0.8568161224291787
Energy: 0.9828422745066546
Energy: 0.8568161224286445
Energy: 0.9828422745066546
Energy: 1.0399321461516962
Energy: 0.8912274394608668
Energy: 1.0399321461522304
Energy: 0.8912274394608668
Energy: 1.0399321461516962
Energy: 0.8912274394608668
Energy: 1.0821927478821254
Energy: 0.8834216029788102
Energy: 1.0821927478826596
Energy: 0.8834216029788102
Energy: 1.0821927478826596
Energy: 0.8834216029788102
Energy: 0.8941519221761368
Energy: 1.1808899414294198
Energy: 0.8941519221761368
Energy: 1.1808899414294198
Energy: 0.8941519221761368
Energy: 1.1808899414294198
Energy: 0.8944639564395647
Energy: 1.0241529065904533
Energy: 0.894463956440099
Energy: 1.0241529065909878
Energy: 0.8944639564395647
Energy: 1.0241529065904533
Energy: 0.982915181278948
Energy: 0.8812819921165187
Energy: 0.982915181278948
Energy: 0.8812819921165187
Energy: 0.982915181278948
Energy: 0.8812819921165187
Energy: 0.8562339996742115
Energy: 1.0823746140755839
Energy: 0.8562339996736772
Energy: 1.0823746140755839
Energy: 0.8562339996736772
Energy: 1.0823746140745398
Energy: 0.855649301668263
Energy: 0.9518474079021464
Energy: 0.855649301668263
Energy: 0.9518474079021464
Energy: 0.855649301668263
Energy: 0.9518474079021464
Energy: 1.0925697253847337
Energy: 0.8684225992377465
Energy: 1.0925697253847337
Energy: 0.8684225992382808
Energy: 1.0925697253847337
Energy: 0.8684225992377465
Energy: 1.143934349138535
Energy: 0.8688808340600679
Energy: 1.1439343491380005
Energy: 0.8688808340600679
Energy: 1.143934349138535
Energy: 0.8688808340606021

minimum gb energy = 0.855582650399096 eV
minimum distance =  2.3493586010482 Angstroms
sigma value = 33


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

Energy: 0.015499874088325469
Energy: 0.8064063095207067
Energy: 0.015499874087881544
Energy: 0.8064063095202874
Energy: 0.015499874087881544
Energy: 0.8064063095207067
Energy: 0.016166642166765437
Energy: 0.2558857220679246
Energy: 0.016166642166765437
Energy: 0.2558857220679246
Energy: 0.016166642166765437
Energy: 0.2558857220679246
Energy: 0.807072310370702
Energy: 0.25544481115623546
Energy: 0.8071662436094026
Energy: 0.2554448111566794
Energy: 0.8071530888602968
Energy: 0.25544481115623546
Energy: 0.0161666421671847
Energy: 0.25588572206836846
Energy: 0.0161666421671847
Energy: 0.25588572206836846
Energy: 0.0161666421671847
Energy: 0.25588572206836846

minimum gb energy = 0.015499874087881544 eV
minimum distance =  2.54254026043738 Angstroms
sigma value = 1