Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5222107768058777
cohesive_energy=2.8494703186615773
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -2.93166306676502 eV

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

Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 1.4750056710604473
Energy: 1.3607366198415776
Energy: 1.4750056710604473
Energy: 1.3112216046031302
Energy: 1.4750056710604473
Energy: 1.3112216046031302
Energy: 0.011628284057469395
Energy: 1.4750056710601172
Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 1.4750056710604473
Energy: 1.3112216046031302
Energy: 1.4750056710604473
Energy: 1.3112216046031302
Energy: 1.4750056710604473
Energy: 1.3112216046031302
Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 0.011628284057469395
Energy: 1.4750056710604473
Energy: 1.4750056710604473
Energy: 1.3112216046031302
Energy: 1.4750056710604473
Energy: 1.3112216046028
Energy: 1.4750056710604473
Energy: 1.3112216046031302

minimum gb energy = 0.011628284057469395 eV
minimum distance =  2.34809170558736 Angstroms
sigma value = 1


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

Energy: 1.4601662482930955
Energy: 1.441750284331897
Energy: 1.4601662482930955
Energy: 1.441750284331897
Energy: 1.4601662482930955
Energy: 1.441750284331897
Energy: 1.6893848920774495
Energy: 1.362724059451139
Energy: 1.6893848920774495
Energy: 1.362724059451139
Energy: 1.6893848920774495
Energy: 1.362724059451139
Energy: 1.390875799995806
Energy: 1.6472862587303125
Energy: 1.390875799995806
Energy: 1.6472862587303125
Energy: 1.390875799995806
Energy: 1.6472862587303125
Energy: 1.6567878724779745
Energy: 1.392314655929254
Energy: 1.6567878724779745
Energy: 1.392314655929254
Energy: 1.6567878724779745
Energy: 1.392314655929254
Energy: 1.4067505488342058
Energy: 1.4802542063219537
Energy: 1.4067505488342058
Energy: 1.4802542063219537
Energy: 1.4067505488342058
Energy: 1.4802542063219537
Energy: 1.4907203783562926
Energy: 1.3518446684221448
Energy: 1.4907203783562926
Energy: 1.3518446684221448
Energy: 1.4907203783562926
Energy: 1.3518446684221448
Energy: 1.3973252078465412
Energy: 1.4303960020520012
Energy: 1.3973252078465412
Energy: 1.4303960020520012
Energy: 1.3973252078465412
Energy: 1.4303960020520012
Energy: 1.3849698849026915
Energy: 1.5364211399649694
Energy: 1.3849698849026915
Energy: 1.5364211399649694
Energy: 1.3849698849026915
Energy: 1.5364211399649694
Energy: 1.549139241399804
Energy: 1.440764983962673
Energy: 1.549139241399804
Energy: 1.440764983962673
Energy: 1.549139241399804
Energy: 1.440764983962673
Energy: 1.3343538033296973
Energy: 1.5165471399939698
Energy: 1.3343538033296973
Energy: 1.5165471399939698
Energy: 1.3343538033296973
Energy: 1.5165471399939698
Energy: 1.669034129152271
Energy: 1.3508258500276806
Energy: 1.669034129152271
Energy: 1.3508258500276806
Energy: 1.6690341291530661
Energy: 1.3508258500276806
Energy: 1.3353966376446333
Energy: 1.7320562144710463
Energy: 1.3353966376446333
Energy: 1.7320562144710463
Energy: 1.3353966376446333
Energy: 1.7320562144710463
Energy: 1.672537304156009
Energy: 1.3331298926187065
Energy: 1.672537304156009
Energy: 1.3331298926187065
Energy: 1.672537304156009
Energy: 1.3331298926187065
Energy: 1.3714724395208964
Energy: 1.45162858577819
Energy: 1.3714724395208964
Energy: 1.45162858577819
Energy: 1.3714724395208964
Energy: 1.45162858577819
Energy: 1.6177903212281504
Energy: 1.34767537707069
Energy: 1.6177903212281504
Energy: 1.34767537707069
Energy: 1.6177903212281504
Energy: 1.34767537707069
Energy: 1.617064599080757
Energy: 1.488686886705915
Energy: 1.617064599080757
Energy: 1.488686886705915
Energy: 1.617064599080757
Energy: 1.48868688670512
Energy: 1.4132139794900114
Energy: 1.4340246693358383
Energy: 1.4132139794900114
Energy: 1.4340246693358383
Energy: 1.4132139794900114
Energy: 1.4340246693358383
Energy: 1.414451799015137
Energy: 1.3967331486436658
Energy: 1.414451799015137
Energy: 1.3967331486436658
Energy: 1.414451799015137
Energy: 1.3967331486436658
Energy: 1.3394754895955865
Energy: 1.3922326039942206
Energy: 1.3394754895955865
Energy: 1.3922326039942206
Energy: 1.3394754895955865
Energy: 1.3922326039942206
Energy: 1.5215582851743952
Energy: 1.3518427364656826
Energy: 1.5215582851743952
Energy: 1.3518427364656826
Energy: 1.5215582851743952
Energy: 1.3518427364656826
Energy: 1.3719338411477917
Energy: 1.7342614275870794
Energy: 1.3719338411477917
Energy: 1.7342614275870794
Energy: 1.3719338411485866
Energy: 1.7342614275870794
Energy: 1.5122988349489304
Energy: 1.4330398704148537
Energy: 1.5122988349497253
Energy: 1.4330398704148537
Energy: 1.5122988349497253
Energy: 1.4330398704148537
Energy: 1.3381678119337421
Energy: 1.8508510979575499
Energy: 1.3381678119337421
Energy: 1.8508510979575499
Energy: 1.338167811934537
Energy: 1.8508510979575499

minimum gb energy = 1.3331298926187065 eV
minimum distance =  2.30650002034223 Angstroms
sigma value = 33


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

Energy: 1.544803116914287
Energy: 1.5388164245273774
Energy: 1.4405940418596699
Energy: 1.5388164245273774
Energy: 1.544803116914287
Energy: 1.5388164245273774
Energy: 1.5930175488588487
Energy: 1.4109720735562277
Energy: 1.5930175488588487
Energy: 1.4109720735562277
Energy: 1.5930175488588487
Energy: 1.4109720735562277
Energy: 1.386003610949178
Energy: 1.3333969940089119
Energy: 1.386003610949178
Energy: 1.3333969940089119
Energy: 1.386003610949178
Energy: 1.3333969940089119
Energy: 1.5808427157355696
Energy: 1.5333172007327132
Energy: 1.5808427157355696
Energy: 1.5333172007327132
Energy: 1.5808427157355696
Energy: 1.5333172007327132
Energy: 1.427103840669117
Energy: 1.4280577423084617
Energy: 1.427103840669117
Energy: 1.4280577423080094
Energy: 1.4271038406686647
Energy: 1.4280577423080094
Energy: 1.3991449182744462
Energy: 1.3864778664803639
Energy: 1.3991449182744462
Energy: 1.3864804524967227
Energy: 1.3991449182744462
Energy: 1.3864778664803639
Energy: 1.3514900642054684
Energy: 1.4933551100532843
Energy: 1.3514900642321543
Energy: 1.4415079023319963
Energy: 1.351490064320312
Energy: 1.4933551100532843
Energy: 1.3347571474056945
Energy: 1.482703607423185
Energy: 1.3347571474056945
Energy: 1.4827036074204711
Energy: 1.3347571474056945
Energy: 1.4827036074204711
Energy: 1.41456314008516
Energy: 1.3871311473921102
Energy: 1.41456314008516
Energy: 1.3871311473921102
Energy: 1.41456314008516
Energy: 1.3871311473921102
Energy: 1.3652145431395817
Energy: 1.3834397171044277
Energy: 1.365205584271586
Energy: 1.3834397170668866
Energy: 1.3652145431395817
Energy: 1.383439717056525
Energy: 1.3857529825716195
Energy: 1.3674916795124923
Energy: 1.3857529825639303
Energy: 1.3674916795129446
Energy: 1.385752982540863
Energy: 1.3674916795124923
Energy: 1.3859062984420023
Energy: 1.454036026593282
Energy: 1.385908387430188
Energy: 1.454036026593282
Energy: 1.3859062984420023
Energy: 1.454036026593282
Energy: 1.410641861606685
Energy: 1.3640356385396972
Energy: 1.410641861607137
Energy: 1.3640356385401495
Energy: 1.4106418616093985
Energy: 1.3640356385401495
Energy: 1.4414857662424791
Energy: 1.5154911158736482
Energy: 1.4414857662424791
Energy: 1.5154911158736482
Energy: 1.4414857662424791
Energy: 1.5154911158741002
Energy: 1.471516403682454
Energy: 1.4089756245189364
Energy: 1.471516403682454
Energy: 1.4089756245189364
Energy: 1.471516403682454
Energy: 1.4089756245189364
Energy: 1.3865465727610595
Energy: 1.3407357819511323
Energy: 1.3865465727610595
Energy: 1.3407357819511323
Energy: 1.386546572761512
Energy: 1.34073578195068
Energy: 1.5765608685628902
Energy: 1.533074908009288
Energy: 1.5765608685628902
Energy: 1.533074908009288
Energy: 1.5765608685628902
Energy: 1.533074908009288
Energy: 1.4256473207935416
Energy: 1.3877249062960915
Energy: 1.4256473207935416
Energy: 1.387759518422795
Energy: 1.4256473207935416
Energy: 1.3877249062960915
Energy: 1.4231736100540084
Energy: 1.4255926631227407
Energy: 1.4231736100540084
Energy: 1.4218459551342297
Energy: 1.4231736100540084
Energy: 1.4255926631227407
Energy: 1.5404017004040766
Energy: 1.4454245548534614
Energy: 1.5404017004040766
Energy: 1.4975880844740468
Energy: 1.5404017004040766
Energy: 1.4454245548534614
Energy: 1.3378871529269079
Energy: 1.4816321914138273
Energy: 1.3378871529269079
Energy: 1.4816321914287531
Energy: 1.3378871529269079
Energy: 1.481632191434181
Energy: 1.5522123117883202
Energy: 1.3890054906669185
Energy: 1.5522123117887725
Energy: 1.389005490666466
Energy: 1.5522123117883202
Energy: 1.389005490666466
Energy: 1.3650696471823633
Energy: 1.3795391180322503
Energy: 1.3650729686473517
Energy: 1.3795391180372258
Energy: 1.3650696471823633
Energy: 1.3795391180412964
Energy: 1.3748035302356931
Energy: 1.4272015314705326
Energy: 1.374803530189106
Energy: 1.4272015314705326
Energy: 1.3748035301814165
Energy: 1.4272015314705326
Energy: 1.3859100105928632
Energy: 1.3986430918838328
Energy: 1.3858915152344635
Energy: 1.3986430918838328
Energy: 1.385910010592411
Energy: 1.3986430918838328
Energy: 1.482445690248329
Energy: 1.3743750024850196
Energy: 1.4411159838878924
Energy: 1.3743750024877335
Energy: 1.4824456902560181
Energy: 1.3743750024877335
Energy: 1.4017858687202434
Energy: 1.3249910071421527
Energy: 1.4411292793528054
Energy: 1.3249910071466757
Energy: 1.4017858690746834
Energy: 1.3249910071489372
Energy: 1.3873851924265652
Energy: 1.4093217955881934
Energy: 1.3873851924265652
Energy: 1.4093217955886457
Energy: 1.3873851924265652
Energy: 1.4093217955881934
Energy: 1.383057990739784
Energy: 1.398060872892545
Energy: 1.3830579906846443
Energy: 1.398060872892545
Energy: 1.383057990637605
Energy: 1.398060872892545
Energy: 1.3652721810943105
Energy: 1.347089474597808
Energy: 1.3652721810943105
Energy: 1.347089475778686
Energy: 1.3652721810943105
Energy: 1.3470894765147043
Energy: 1.6074320478161641
Energy: 1.3871387828178279
Energy: 1.6074320478161641
Energy: 1.3872144456908557
Energy: 1.6074320478166164
Energy: 1.3871387828178279
Energy: 1.3642729324429494
Energy: 1.4529248986699024
Energy: 1.3642729324429494
Energy: 1.4028222908619938
Energy: 1.3642729324429494
Energy: 1.4529248986676409
Energy: 1.541194185425839
Energy: 1.4973533165327704
Energy: 1.541194185425839
Energy: 1.4451043760219617
Energy: 1.541194185425839
Energy: 1.4973533165327704
Energy: 1.410665859456142
Energy: 1.4698707664836177
Energy: 1.410665859456142
Energy: 1.46987076648407
Energy: 1.410665859456142
Energy: 1.46987076648407
Energy: 1.3376080532701813
Energy: 1.3863396491320932
Energy: 1.3376080532701813
Energy: 1.3863396491320932
Energy: 1.3376080532701813
Energy: 1.3863396491320932
Energy: 1.539006934230756
Energy: 1.5700605431046077
Energy: 1.539006934230756
Energy: 1.5700605431046077
Energy: 1.539006934230756
Energy: 1.5700605431046077
Energy: 1.387867525211444
Energy: 1.4246911873824462
Energy: 1.387869863993176
Energy: 1.4246911873824462
Energy: 1.387867525210992
Energy: 1.4246911873824462
Energy: 1.4258174753683388
Energy: 1.4004935801631844
Energy: 1.4258174753683388
Energy: 1.4004935801631844
Energy: 1.4258174753683388
Energy: 1.4004935801631844
Energy: 1.4418897709050416
Energy: 1.3517291768168809
Energy: 1.4418897709050416
Energy: 1.3517291767459105
Energy: 1.4418897709050416
Energy: 1.3517291767391262
Energy: 1.5170085960650328
Energy: 1.3362904367856248
Energy: 1.5170085960654853
Energy: 1.336290436786077
Energy: 1.5170085960654853
Energy: 1.3362904367856248
Energy: 1.3860158558229687
Energy: 1.417194420743979
Energy: 1.3860158558229687
Energy: 1.417194420743979
Energy: 1.3860158558229687
Energy: 1.417194420743979

minimum gb energy = 1.3249910071421527 eV
minimum distance =  2.33181758107952 Angstroms
sigma value = 51


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

Energy: 1.4889216968153558
Energy: 1.526433616523694
Energy: 1.4889216968153558
Energy: 1.526433616523694
Energy: 1.4889216968153558
Energy: 1.526433616523694
Energy: 1.6219119069073857
Energy: 1.4389929803832033
Energy: 1.6219119069073857
Energy: 1.4389929803832033
Energy: 1.6219119069073857
Energy: 1.4389929803832033
Energy: 1.4105641416983175
Energy: 1.5134975261350032
Energy: 1.4105641416983175
Energy: 1.5134975261350032
Energy: 1.4105641416983175
Energy: 1.5134975261350032
Energy: 1.4879018930965124
Energy: 1.3680638934567335
Energy: 1.4879018930965124
Energy: 1.3680638934567335
Energy: 1.4879018930965124
Energy: 1.3680638934567335
Energy: 1.5055062772825198
Energy: 1.428653128613161
Energy: 1.5055062772825198
Energy: 1.428653128613161
Energy: 1.5055062772825198
Energy: 1.428653128613161
Energy: 1.5121184942425705
Energy: 1.428289912678528
Energy: 1.5121184942436183
Energy: 1.428289912678528
Energy: 1.5121184942436183
Energy: 1.428289912678528
Energy: 1.5746614613664753
Energy: 1.4280961958336087
Energy: 1.5746614613664753
Energy: 1.4280961958336087
Energy: 1.5746614613664753
Energy: 1.4280961958336087
Energy: 1.3854598724760248
Energy: 1.4278744581463252
Energy: 1.3854598724760248
Energy: 1.4278744581463252
Energy: 1.3854598724760248
Energy: 1.4278744581463252
Energy: 1.7223332550893071
Energy: 1.3642193345573326
Energy: 1.7223332550893071
Energy: 1.3642193345573326
Energy: 1.7223332550893071
Energy: 1.3642193345573326
Energy: 1.3853952156700033
Energy: 1.7151600279332884
Energy: 1.3853952156700033
Energy: 1.7151600279332884
Energy: 1.3853952156700033
Energy: 1.7151600279332884
Energy: 1.6734481881351015
Energy: 1.3659476646442161
Energy: 1.6734481881351015
Energy: 1.3659476646442161
Energy: 1.6734481881351015
Energy: 1.3659476646442161
Energy: 1.4888983295379246
Energy: 1.5280217286481559
Energy: 1.4888983295379246
Energy: 1.5280217286481559
Energy: 1.4888983295379246
Energy: 1.5280217286481559
Energy: 1.6927977812894257
Energy: 1.4457973572822116
Energy: 1.6927977812894257
Energy: 1.4457973572822116
Energy: 1.6927977812894257
Energy: 1.4457973572822116
Energy: 1.4101585067030218
Energy: 1.401736299826939
Energy: 1.4101585067030218
Energy: 1.401736299826939
Energy: 1.4101585067030218
Energy: 1.401736299826939
Energy: 1.5154334434995744
Energy: 1.4965679639552825
Energy: 1.5154334434995744
Energy: 1.4965679639552825
Energy: 1.5154334434995744
Energy: 1.4965679639552825
Energy: 1.5054248435287003
Energy: 1.4287344040890129
Energy: 1.5054248435287003
Energy: 1.4287344040890129
Energy: 1.5054248435287003
Energy: 1.4287344040890129
Energy: 1.5103168135064005
Energy: 1.5321749440113737
Energy: 1.5103168135064005
Energy: 1.5321749440113737
Energy: 1.5103168135064005
Energy: 1.5321749440113737
Energy: 1.4926450490509346
Energy: 1.429749411046295
Energy: 1.4926450490509346
Energy: 1.429749411046295
Energy: 1.4926450490509346
Energy: 1.429749411046295

minimum gb energy = 1.3642193345573326 eV
minimum distance =  2.25237775776169 Angstroms
sigma value = 19


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

Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.4708000393815897
Energy: 1.5217343559785634
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2902530154875966
Energy: 1.3104358290949794
Energy: 1.2902530154875966
Energy: 1.3104358290949794
Energy: 1.2902530154875966
Energy: 1.3104358290949794
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2902530154875966
Energy: 1.3104358290949794
Energy: 1.2902530154875966
Energy: 1.3104358290949794
Energy: 1.290253015486975
Energy: 1.3104358290949794
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.3885968166715579
Energy: 1.258470099022257
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2903417149083778
Energy: 1.310417831726283
Energy: 1.2902530154875966
Energy: 1.3104358290949794
Energy: 1.290253015486975
Energy: 1.3104358290949794
Energy: 1.2902530154875966
Energy: 1.3104358290949794
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.3886074833029387
Energy: 1.2584530167307935
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.258533650471774
Energy: 1.5210857574526153
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.4708840694936123
Energy: 1.5219433086210523
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.310313200778108
Energy: 1.3316772588766206
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.4708000393809681
Energy: 1.5217343559785634
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495
Energy: 1.258522815259703
Energy: 1.5210388952331495

minimum gb energy = 1.2584530167307935 eV
minimum distance =  2.26118793212465 Angstroms
sigma value = 27


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

Energy: 1.3203208541043185
Energy: 1.2976777181305736
Energy: 1.3203208541043185
Energy: 1.2976777181305736
Energy: 1.3203208541043185
Energy: 1.2976777181305736
Energy: 1.4937075241976776
Energy: 1.3414948850210784
Energy: 1.4937075241976776
Energy: 1.3414948850210784
Energy: 1.4937075241976776
Energy: 1.3414948850210784
Energy: 1.2821769562578484
Energy: 1.3815932975176133
Energy: 1.2821769562578484
Energy: 1.3815932975176133
Energy: 1.2821769562578484
Energy: 1.3815932975176133
Energy: 1.4551065501209415
Energy: 1.2653191911134587
Energy: 1.4551065501209415
Energy: 1.2653191911134587
Energy: 1.4551065501209415
Energy: 1.2653191911134587
Energy: 1.4552022361177106
Energy: 1.2663868405299716
Energy: 1.4552022361177106
Energy: 1.2663868405299716
Energy: 1.4552022361177106
Energy: 1.2663868405299716
Energy: 1.4003478005542829
Energy: 1.4348859441324242
Energy: 1.4003478005542829
Energy: 1.4348859441324242
Energy: 1.4003478005542829
Energy: 1.4348859441324242
Energy: 1.3582095327052077
Energy: 1.343587207016876
Energy: 1.3582095327052077
Energy: 1.343587207016876
Energy: 1.3582095327052077
Energy: 1.343587207016876
Energy: 1.3174185073244367
Energy: 1.3005988749265502
Energy: 1.3174185073244367
Energy: 1.3005988749265502
Energy: 1.3174185073244367
Energy: 1.3005988749265502
Energy: 1.4939326393281236
Energy: 1.270340914810375
Energy: 1.4939326393281236
Energy: 1.270340914810375
Energy: 1.4939326393281236
Energy: 1.270340914810375
Energy: 1.3040987108935045
Energy: 1.44881790384224
Energy: 1.3040987108935045
Energy: 1.44881790384224
Energy: 1.3040987108935045
Energy: 1.44881790384224
Energy: 1.375843605027467
Energy: 1.276857715469522
Energy: 1.375843605027467
Energy: 1.276857715469522
Energy: 1.375843605027467
Energy: 1.276857715469522
Energy: 1.442324571557297
Energy: 1.387623658160193
Energy: 1.442324571557297
Energy: 1.387623658160193
Energy: 1.442324571557297
Energy: 1.387623658160193

minimum gb energy = 1.2653191911134587 eV
minimum distance =  2.24443736743476 Angstroms
sigma value = 9


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

Energy: 1.2840076396076503
Energy: 1.1851664960643866
Energy: 1.2840076396076503
Energy: 1.1851664960643866
Energy: 1.2840076396076503
Energy: 1.1851664960643866
Energy: 1.453128699391149
Energy: 1.2091002039425045
Energy: 1.453128699391149
Energy: 1.1839717737991071
Energy: 1.453128699391149
Energy: 1.1839717737991071
Energy: 1.1418120902154698
Energy: 1.3955392613099873
Energy: 1.1418120902154698
Energy: 1.3955392613099873
Energy: 1.1418120902154698
Energy: 1.3955392613099873
Energy: 1.2001419343894817
Energy: 1.1649832374272249
Energy: 1.2001419343894817
Energy: 1.1649832374272249
Energy: 1.2001419343894817
Energy: 1.1649832374272249
Energy: 1.2048957587580666
Energy: 1.1517149383308376
Energy: 1.2048957587580666
Energy: 1.1517149383308376
Energy: 1.2048957587580666
Energy: 1.1517149383308376
Energy: 1.2296586594525656
Energy: 1.249736673237593
Energy: 1.2296586594525656
Energy: 1.25533937778956
Energy: 1.2296586594525656
Energy: 1.249736673237593
Energy: 1.2117312049934106
Energy: 1.2390228539001582
Energy: 1.2117312049934106
Energy: 1.2390228539001582
Energy: 1.2117312049934106
Energy: 1.2390228539001582
Energy: 1.1458945605966917
Energy: 1.2491152902162912
Energy: 1.1458945605966917
Energy: 1.2491152902162912
Energy: 1.1458945605966917
Energy: 1.2491152902162912
Energy: 1.4624010943383687
Energy: 1.151463401272511
Energy: 1.4624010943383687
Energy: 1.151463401272511
Energy: 1.4624010943383687
Energy: 1.151463401272511
Energy: 1.204338628344858
Energy: 1.374603239330509
Energy: 1.204338628344858
Energy: 1.374603239330509
Energy: 1.204338628344858
Energy: 1.374603239330509
Energy: 1.2005257987439901
Energy: 1.1699798815151934
Energy: 1.2005257987439901
Energy: 1.1699798815151934
Energy: 1.2005257987439901
Energy: 1.1699798815151934
Energy: 1.1460756301644603
Energy: 1.265262181606076
Energy: 1.1460756301644603
Energy: 1.265262181606076
Energy: 1.1460756301644603
Energy: 1.265262181606076
Energy: 1.375473467896981
Energy: 1.2483556645683869
Energy: 1.375473467896981
Energy: 1.2483556645683869
Energy: 1.375473467896981
Energy: 1.2483556645683869
Energy: 1.2827788697635079
Energy: 1.3125526416315303
Energy: 1.2827788697635079
Energy: 1.3125526416315303
Energy: 1.2827788697635079
Energy: 1.3125526416315303
Energy: 1.1859758274245764
Energy: 1.2093109159692756
Energy: 1.1859758274245764
Energy: 1.2093109159692756
Energy: 1.1859758274245764
Energy: 1.2093109159692756
Energy: 1.4319518834415115
Energy: 1.2347855812831154
Energy: 1.4319518834415115
Energy: 1.2347855812831154
Energy: 1.4319518834415115
Energy: 1.2347855812831154
Energy: 1.3759367987589148
Energy: 1.4186936836979103
Energy: 1.3759367987589148
Energy: 1.4186936836979103
Energy: 1.3759367987589148
Energy: 1.4186936836979103
Energy: 1.1984182708205415
Energy: 1.150547989902123
Energy: 1.1984182708205415
Energy: 1.150547989902123
Energy: 1.1984182708205415
Energy: 1.150547989902123
Energy: 1.1431303255513066
Energy: 1.3583173781717321
Energy: 1.1431303255513066
Energy: 1.3583173781717321
Energy: 1.1431303255513066
Energy: 1.3583173781717321
Energy: 1.372438200753938
Energy: 1.2716826398688066
Energy: 1.372438200753938
Energy: 1.2811645736113821
Energy: 1.372438200753938
Energy: 1.2811645736113821
Energy: 1.1432504276627544
Energy: 1.3577919707539856
Energy: 1.1432504276627544
Energy: 1.3577919707539856
Energy: 1.1432504276627544
Energy: 1.3577919707539856
Energy: 1.1982927657847309
Energy: 1.1505176205820518
Energy: 1.1982927657847309
Energy: 1.1505176205820518
Energy: 1.1982927657847309
Energy: 1.1505176205820518
Energy: 1.37590391012342
Energy: 1.4186288644367626
Energy: 1.37590391012342
Energy: 1.4186288644367626
Energy: 1.37590391012342
Energy: 1.4186288644367626
Energy: 1.4320538638433198
Energy: 1.2569563532130508
Energy: 1.4320538638433198
Energy: 1.2569563532130508
Energy: 1.4320538638433198
Energy: 1.2569563532130508
Energy: 1.1858954297302151
Energy: 1.2092147969484315
Energy: 1.1858954297302151
Energy: 1.2092147969484315
Energy: 1.1858954297302151
Energy: 1.2092147969484315
Energy: 1.2827839246363237
Energy: 1.1866604296163563
Energy: 1.2827839246363237
Energy: 1.1866604296163563
Energy: 1.2827839246363237
Energy: 1.1866604296163563
Energy: 1.375039731489434
Energy: 1.247973655657761
Energy: 1.375039731489434
Energy: 1.247973655657761
Energy: 1.375039731489434
Energy: 1.247973655657761
Energy: 1.1460782442459825
Energy: 1.2325612733239586
Energy: 1.1460782442459825
Energy: 1.2325612733239586
Energy: 1.1460782442459825
Energy: 1.2325612733239586
Energy: 1.2007576099970079
Energy: 1.1700732481157032
Energy: 1.2007576099970079
Energy: 1.1700732481157032
Energy: 1.2007576099970079
Energy: 1.1700732481157032
Energy: 1.2041241483342175
Energy: 1.399339087305597
Energy: 1.2041241483342175
Energy: 1.399339087305597
Energy: 1.2041241483342175
Energy: 1.399339087305597
Energy: 1.4615724234986702
Energy: 1.1515275804519858
Energy: 1.4615724234986702
Energy: 1.1515275804477074
Energy: 1.4615724234986702
Energy: 1.1515275804519858
Energy: 1.1458810449766108
Energy: 1.2492983457146651
Energy: 1.1458810449766108
Energy: 1.2492983457146651
Energy: 1.1458810449766108
Energy: 1.2492983457146651
Energy: 1.2114626077083277
Energy: 1.238622454825913
Energy: 1.2114626077083277
Energy: 1.238622454825913
Energy: 1.2114626077083277
Energy: 1.238622454825913
Energy: 1.2297636519577648
Energy: 1.2494188770788688
Energy: 1.2297636519577648
Energy: 1.2494188770788688
Energy: 1.2297636519577648
Energy: 1.2494188770788688
Energy: 1.205006870458504
Energy: 1.1516812162113186
Energy: 1.205006870458504
Energy: 1.1516812162113186
Energy: 1.205006870458504
Energy: 1.1516812162113186
Energy: 1.2001842310568103
Energy: 1.1650984032261023
Energy: 1.2001842310568103
Energy: 1.1650984032261023
Energy: 1.2001842310568103
Energy: 1.1650984032261023
Energy: 1.1415486992535944
Energy: 1.3967382463688949
Energy: 1.1415486992535944
Energy: 1.3967382463688949
Energy: 1.1415486992535944
Energy: 1.3967382463688949
Energy: 1.4535023350078622
Energy: 1.2128178613739724
Energy: 1.4535023350078622
Energy: 1.2128178613739724
Energy: 1.4535023350078622
Energy: 1.2128178613739724
Energy: 1.2840076396076503
Energy: 1.1851664960643866
Energy: 1.2840076396076503
Energy: 1.1851664960643866
Energy: 1.2840076396076503
Energy: 1.1851664960643866
Energy: 1.453128699391149
Energy: 1.1839717737991071
Energy: 1.453128699391149
Energy: 1.1839717737991071
Energy: 1.453128699391149
Energy: 1.1839717737991071
Energy: 1.1418120902154698
Energy: 1.3955392613099873
Energy: 1.1418120902154698
Energy: 1.3955392613099873
Energy: 1.1418120902154698
Energy: 1.3955392613099873
Energy: 1.2001419343894817
Energy: 1.1649832374272249
Energy: 1.2001419343894817
Energy: 1.1649832374272249
Energy: 1.2001419343894817
Energy: 1.1649832374272249
Energy: 1.2048957587580666
Energy: 1.1517149383308376
Energy: 1.2048957587580666
Energy: 1.1517149383265592
Energy: 1.2048957587580666
Energy: 1.1517149383308376

minimum gb energy = 1.1415486992535944 eV
minimum distance =  2.29685025671702 Angstroms
sigma value = 57


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

Energy: 0.631092302116884
Energy: 0.6453305043942833
Energy: 0.631092302116884
Energy: 0.6453305043942833
Energy: 0.631092302116884
Energy: 0.6453305043942833
Energy: 0.8056201064886696
Energy: 1.1840695619475707
Energy: 0.8056201064886696
Energy: 1.1840695619475707
Energy: 0.8056201064886696
Energy: 1.1840695619475707
Energy: 0.706597067146994
Energy: 1.08244779746451
Energy: 0.706597067146994
Energy: 1.082447797465484
Energy: 0.706597067146994
Energy: 1.08244779746451
Energy: 0.6463887501874886
Energy: 0.6305184642098571
Energy: 0.6463887501874886
Energy: 0.6305184642098571
Energy: 0.6463887501874886
Energy: 0.6305184642098571
Energy: 0.805611121808856
Energy: 0.8119342224348308
Energy: 0.805611121808856
Energy: 0.8119342224348308
Energy: 0.805611121808856
Energy: 0.8119342224348308
Energy: 0.630701378306705
Energy: 1.3979524680429325
Energy: 0.630701378306705
Energy: 1.3979524680429325
Energy: 0.630701378306705
Energy: 1.3979524680429325
Energy: 0.6307140842256141
Energy: 1.3980569595128902
Energy: 0.6307140842256141
Energy: 1.3980569595128902
Energy: 0.6307140842256141
Energy: 1.3980569595128902
Energy: 0.8055821213736115
Energy: 0.8119263039571325
Energy: 0.8055821213736115
Energy: 0.8119263039571325
Energy: 0.8055821213736115
Energy: 0.8119263039571325
Energy: 0.6459286893611961
Energy: 0.6305152805804628
Energy: 0.6459286893611961
Energy: 0.6305152805804628
Energy: 0.6459286893611961
Energy: 0.6305152805804628
Energy: 0.7063957811552161
Energy: 1.082271759996678
Energy: 0.7063957811552161
Energy: 1.082271759996678
Energy: 0.7063957811552161
Energy: 1.082271759996678
Energy: 0.8055568985503431
Energy: 1.184138215935695
Energy: 0.8055568985503431
Energy: 1.184138215935695
Energy: 0.8055568985503431
Energy: 1.184138215935695
Energy: 0.631092302116884
Energy: 0.6453305043942833
Energy: 0.631092302116884
Energy: 0.6453305043942833
Energy: 0.631092302116884
Energy: 0.6453305043942833
Energy: 0.8056201064886696
Energy: 1.1840695619475707
Energy: 0.8056201064886696
Energy: 1.1840695619475707
Energy: 0.8056201064886696
Energy: 1.1840695619475707
Energy: 0.706597067146994
Energy: 1.082447797465484
Energy: 0.706597067146994
Energy: 1.08244779746451
Energy: 0.706597067146994
Energy: 1.082447797465484
Energy: 0.6463887501874886
Energy: 0.6305184642098571
Energy: 0.6463887501874886
Energy: 0.6305184642098571
Energy: 0.6463887501874886
Energy: 0.6305184642098571
Energy: 0.805611121808856
Energy: 0.8119342224348308
Energy: 0.805611121808856
Energy: 0.8119342224348308
Energy: 0.805611121808856
Energy: 0.8119342224348308
Energy: 0.630701378306705
Energy: 1.3979524680429325
Energy: 0.630701378306705
Energy: 1.3979524680429325
Energy: 0.630701378306705
Energy: 1.3979524680429325
Energy: 0.6307140842256141
Energy: 1.3980569595128902
Energy: 0.6307140842256141
Energy: 1.3980569595128902
Energy: 0.6307140842256141
Energy: 1.3980569595128902
Energy: 0.8055821213736115
Energy: 0.8119263039561586
Energy: 0.8055821213736115
Energy: 0.8119263039571325
Energy: 0.8055821213736115
Energy: 0.8119263039571325

minimum gb energy = 0.6305152805804628 eV
minimum distance =  2.43693506652904 Angstroms
sigma value = 11


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

Energy: 1.1716071691765584
Energy: 1.0810759357016624
Energy: 1.1716071691765584
Energy: 1.0810759357016624
Energy: 1.1716071691765584
Energy: 1.0810759357016624
Energy: 1.2421516762771898
Energy: 1.0895431671810794
Energy: 1.2421516762771898
Energy: 1.0895431671810794
Energy: 1.2421516762771898
Energy: 1.0895431671810794
Energy: 1.2066547492146358
Energy: 1.4263288729071346
Energy: 1.22798894030983
Energy: 1.4263288729071346
Energy: 1.2066547492146358
Energy: 1.4263288729071346
Energy: 1.2203891635079966
Energy: 1.1504308841846953
Energy: 1.2203891635079966
Energy: 1.1504308841846953
Energy: 1.2203891635079966
Energy: 1.1504308841846953
Energy: 1.0466632952981483
Energy: 0.9950741071659991
Energy: 1.0466632952981483
Energy: 0.9950741071659991
Energy: 1.0466632952981483
Energy: 0.9950741071659991
Energy: 1.1559392671735498
Energy: 1.102453593208181
Energy: 1.1559392671735498
Energy: 1.102453593208181
Energy: 1.1559392671735498
Energy: 1.102453593208181
Energy: 1.0403866704098175
Energy: 1.2024735532826722
Energy: 1.0403866704098175
Energy: 1.2024735532833855
Energy: 1.0403866704098175
Energy: 1.2024735532826722
Energy: 1.0673721858431835
Energy: 0.9604975218834672
Energy: 1.0673721858431835
Energy: 0.9604975218834672
Energy: 1.0673721858431835
Energy: 0.9604975218834672
Energy: 1.0688263806216922
Energy: 0.9777416261297927
Energy: 1.0688263806216922
Energy: 0.9777416261297927
Energy: 1.0688263806216922
Energy: 0.9777416261297927
Energy: 0.9820033715844289
Energy: 1.387936498547611
Energy: 0.9820033715844289
Energy: 1.387936498547611
Energy: 0.9820033715844289
Energy: 1.387936498547611
Energy: 1.1693294625910553
Energy: 1.3033011916648904
Energy: 1.1693294625910553
Energy: 1.3033011916648904
Energy: 1.1693294625910553
Energy: 1.3033011916648904
Energy: 1.0512385635595667
Energy: 0.9961085620167515
Energy: 1.0512385635595667
Energy: 0.9961085620167515
Energy: 1.0512385635595667
Energy: 0.9961085620167515
Energy: 1.0909004602943813
Energy: 1.148066588539953
Energy: 1.0909004602943813
Energy: 1.148066588539953
Energy: 1.0909004602943813
Energy: 1.148066588539953
Energy: 1.180104429351583
Energy: 1.3996714774210952
Energy: 1.180104429351583
Energy: 1.3996714774210952
Energy: 1.180104429351583
Energy: 1.3996714774210952
Energy: 1.2352757231151192
Energy: 1.088499506016224
Energy: 1.2352757231151192
Energy: 1.0884995060169373
Energy: 1.235275723115833
Energy: 1.088499506016224
Energy: 1.1720374129079971
Energy: 1.06786236316226
Energy: 1.1720374129079971
Energy: 1.06786236316226
Energy: 1.1720374129079971
Energy: 1.06786236316226
Energy: 1.0171357371534153
Energy: 1.048449455549137
Energy: 1.0171357371534153
Energy: 1.048449455549137
Energy: 1.0171357371534153
Energy: 1.048449455549137
Energy: 1.3398740582978845
Energy: 1.2238081497172655
Energy: 1.3398740582978845
Energy: 1.2238081497172655
Energy: 1.3398740582978845
Energy: 1.2238081497172655
Energy: 1.3663612695394542
Energy: 1.1433691027612511
Energy: 1.3663612695394542
Energy: 1.1433691027612511
Energy: 1.3663612695394542
Energy: 1.1433691027612511
Energy: 1.0508683949600883
Energy: 1.0295170369045765
Energy: 1.0508683949600883
Energy: 1.0295170369045765
Energy: 1.0508683949608015
Energy: 1.0295170369045765
Energy: 0.9838581509789356
Energy: 1.057115432437188
Energy: 0.9838581509789356
Energy: 1.057115432437188
Energy: 0.9838581509789356
Energy: 1.057115432437188
Energy: 1.2568078514147265
Energy: 1.203234238028877
Energy: 1.2568078514147265
Energy: 1.203234238028877
Energy: 1.2568078514147265
Energy: 1.203234238028877
Energy: 1.065539053307413
Energy: 1.1150115213111798
Energy: 1.0655390533081261
Energy: 1.1150115213111798
Energy: 1.065539053307413
Energy: 1.1150115213111798
Energy: 1.0608514544926295
Energy: 1.0168896148184734
Energy: 1.0608514544926295
Energy: 1.0168896148184734
Energy: 1.0608514544926295
Energy: 1.0168896148184734
Energy: 0.9831393128589342
Energy: 1.4901263739204635
Energy: 0.9831393128596477
Energy: 1.4901263739204635
Energy: 0.9831393128596477
Energy: 1.4901263739204635
Energy: 1.6137308991665322
Energy: 1.3066479115074587
Energy: 1.6137308991665322
Energy: 1.3066479115074587
Energy: 1.6137308991665322
Energy: 1.3066479115074587

minimum gb energy = 0.9604975218834672 eV
minimum distance =  2.34273923414089 Angstroms
sigma value = 41


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

Energy: 1.2867553129837168
Energy: 1.1403688992307934
Energy: 1.2867553129837168
Energy: 1.1403688992307934
Energy: 1.2867553129837168
Energy: 1.1403688992307934
Energy: 1.3216680235303975
Energy: 1.1615695740887215
Energy: 1.3216680235303975
Energy: 1.1615695740887215
Energy: 1.3216680235303975
Energy: 1.1615695740887215
Energy: 1.3805886866585488
Energy: 1.4020148625049527
Energy: 1.3805886866585488
Energy: 1.4020148625043902
Energy: 1.3805886866585488
Energy: 1.4020148625049527
Energy: 1.238935724637661
Energy: 1.0831733811182125
Energy: 1.238935724637661
Energy: 1.0831733811176503
Energy: 1.238935724637661
Energy: 1.0831733811182125
Energy: 1.0570442351387015
Energy: 1.1485455523682557
Energy: 1.0570442351387015
Energy: 1.1485455523682557
Energy: 1.0570442351392642
Energy: 1.1485455523682557
Energy: 1.272401891956107
Energy: 1.1727079338056585
Energy: 1.272401891956107
Energy: 1.1727079338056585
Energy: 1.272401891956107
Energy: 1.1727079338056585
Energy: 1.1599553733656693
Energy: 1.4284273051221992
Energy: 1.1599553733656693
Energy: 1.4284273051221992
Energy: 1.1599553733656693
Energy: 1.428427305121637
Energy: 1.06412430950447
Energy: 1.0832814786395055
Energy: 1.06412430950447
Energy: 1.0832814786395055
Energy: 1.06412430950447
Energy: 1.0832814786395055
Energy: 1.1391097535198835
Energy: 1.1683025814122185
Energy: 1.1391097535198835
Energy: 1.1683025814122185
Energy: 1.1391097535198835
Energy: 1.1683025814122185
Energy: 1.3064314953081373
Energy: 1.4773998713629937
Energy: 1.3064314953081373
Energy: 1.4773998713629937
Energy: 1.3064314953081373
Energy: 1.4773998713629937
Energy: 1.3324334973712475
Energy: 1.5112981667277827
Energy: 1.3324334973712475
Energy: 1.5112981667277827
Energy: 1.3324334973712475
Energy: 1.5112981667277827
Energy: 1.137211482841007
Energy: 1.1068430903634825
Energy: 1.137211482841007
Energy: 1.1068430903634825
Energy: 1.137211482841007
Energy: 1.1068430903634825
Energy: 1.0627255664215904
Energy: 1.1179923922127162
Energy: 1.0627255664215904
Energy: 1.1179923922127162
Energy: 1.0627255664215904
Energy: 1.1179923922127162
Energy: 1.0235125312341518
Energy: 1.4119652724493834
Energy: 1.0235125312341518
Energy: 1.4119652724493834
Energy: 1.0235125312341518
Energy: 1.4119652724493834
Energy: 1.2754697118145784
Energy: 1.3221333493503946
Energy: 1.2754697118145784
Energy: 1.3221333493503946
Energy: 1.2754697118145784
Energy: 1.3221333493503946
Energy: 1.0636929333608751
Energy: 1.1232249617801604
Energy: 1.0636929333608751
Energy: 1.1232249617801604
Energy: 1.0636929333608751
Energy: 1.1232249617801604
Energy: 1.0905480367261318
Energy: 1.1178964526302486
Energy: 1.0905480367255695
Energy: 1.117896452630811
Energy: 1.0905480367255695
Energy: 1.117896452630811
Energy: 1.226889005943956
Energy: 1.408216454984515
Energy: 1.226889005943956
Energy: 1.408216454984515
Energy: 1.226889005943956
Energy: 1.408216454984515
Energy: 1.3258182470952478
Energy: 1.197435461743563
Energy: 1.3258182470952478
Energy: 1.197435461743563
Energy: 1.3258182470952478
Energy: 1.197435461743563
Energy: 1.2875372273472405
Energy: 1.162827300662632
Energy: 1.2875372273472405
Energy: 1.162827300662632
Energy: 1.2875372273472405
Energy: 1.162827300662632
Energy: 1.071379126105738
Energy: 1.1680694077858973
Energy: 1.071379126105738
Energy: 1.1680694077858973
Energy: 1.071379126105738
Energy: 1.1680694077858973
Energy: 1.3796797686653657
Energy: 1.3293603372601186
Energy: 1.3796797686659277
Energy: 1.3293603372601186
Energy: 1.3796797686653657
Energy: 1.3293603372601186
Energy: 1.2356163613565636
Energy: 1.0888057285445747
Energy: 1.2356163613565636
Energy: 1.0888057285445747
Energy: 1.2356163613565636
Energy: 1.0888057285445747
Energy: 1.0642788436996977
Energy: 1.1754037077628492
Energy: 1.0642788436996977
Energy: 1.1754037077628492
Energy: 1.0642788436996977
Energy: 1.1754037077628492
Energy: 1.0195451499835466
Energy: 1.1749374658207998
Energy: 1.0195451499835466
Energy: 1.1749374658213623
Energy: 1.0195451499835466
Energy: 1.1749374658213623
Energy: 1.1594177059015298
Energy: 1.1621295309200232
Energy: 1.1594177059015298
Energy: 1.1621295309200232
Energy: 1.1594177059015298
Energy: 1.1621295309200232
Energy: 1.066911855587105
Energy: 1.0885963030855668
Energy: 1.066911855587105
Energy: 1.088596303086129
Energy: 1.066911855587667
Energy: 1.088596303086129
Energy: 1.071731209847651
Energy: 1.1675477814934894
Energy: 1.071731209847651
Energy: 1.1675477814934894
Energy: 1.071731209847651
Energy: 1.1675477814934894
Energy: 1.2876212803095106
Energy: 1.1641346266690449
Energy: 1.2876212803095106
Energy: 1.1641346266690449
Energy: 1.2876212803095106
Energy: 1.1641346266690449
Energy: 1.5673116985919497
Energy: 1.0214231012818178
Energy: 1.5673116985919497
Energy: 1.0214231012823802
Energy: 1.5673116985919497
Energy: 1.0214231012823802
Energy: 1.128419259017224
Energy: 1.105196594901849
Energy: 1.1284192590177862
Energy: 1.105196594901849
Energy: 1.128419259017224
Energy: 1.105196594901849
Energy: 1.062385740635515
Energy: 1.1161982286072512
Energy: 1.062385740635515
Energy: 1.1161982286072512
Energy: 1.062385740635515
Energy: 1.1161982286072512
Energy: 1.019446954188721
Energy: 1.1522179728217408
Energy: 1.019446954188721
Energy: 1.1522179728217408
Energy: 1.019446954188721
Energy: 1.1522179728217408

minimum gb energy = 1.019446954188721 eV
minimum distance =  2.35934927086504 Angstroms
sigma value = 33


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

Energy: 1.2433365322196779
Energy: 1.1547591518626785
Energy: 1.2184707676114575
Energy: 1.1547591518626785
Energy: 1.2433365322196779
Energy: 1.1547591518626785
Energy: 1.4531174301132241
Energy: 1.1026052946501403
Energy: 1.4531174301132241
Energy: 1.1026052946501403
Energy: 1.4531174301132241
Energy: 1.1026052946501403
Energy: 1.2693451426132016
Energy: 1.425261995287088
Energy: 1.2693451426132016
Energy: 1.425261995287088
Energy: 1.2693451426132016
Energy: 1.425261995287088
Energy: 1.3610999976186937
Energy: 1.1658120575146729
Energy: 1.3610999976186937
Energy: 1.1658120575146729
Energy: 1.3610999976186937
Energy: 1.1658120575146729
Energy: 1.1497533779694016
Energy: 1.3232737161287076
Energy: 1.1498310819923985
Energy: 1.3232737161287076
Energy: 1.1497533779694016
Energy: 1.3232737161287076
Energy: 1.3719316359933849
Energy: 1.2232657370804474
Energy: 1.3719316359933849
Energy: 1.2232657370804474
Energy: 1.3719316359933849
Energy: 1.2232657370804474
Energy: 1.154522541104837
Energy: 1.5414541205100278
Energy: 1.154522541104837
Energy: 1.5414541205100278
Energy: 1.154522541104837
Energy: 1.5414541205100278
Energy: 1.2918176789657814
Energy: 1.3900241618968545
Energy: 1.2918176789657814
Energy: 1.3900241618968545
Energy: 1.2918176789657814
Energy: 1.3900241618968545
Energy: 1.344767108685845
Energy: 1.1917182312574552
Energy: 1.3447682373897152
Energy: 1.1917182312574552
Energy: 1.344767108685845
Energy: 1.1917182312574552
Energy: 1.4476426010261667
Energy: 1.1299051405238523
Energy: 1.4476426010261667
Energy: 1.1299051405238523
Energy: 1.4476426010261667
Energy: 1.1299051405238523
Energy: 1.3211945425698766
Energy: 1.287423581649058
Energy: 1.3211945425698766
Energy: 1.287423581649058
Energy: 1.3211945425698766
Energy: 1.287423581649058
Energy: 1.3178524407444794
Energy: 1.1235446063627816
Energy: 1.3178524407444794
Energy: 1.1235446063627816
Energy: 1.3178524407444794
Energy: 1.1235446063627816
Energy: 1.1540061996902014
Energy: 1.3244873445254617
Energy: 1.1540061996902014
Energy: 1.3244873445254617
Energy: 1.1540061996902014
Energy: 1.3244873445254617
Energy: 1.3913241277857649
Energy: 1.3000480399108338
Energy: 1.3913241277857649
Energy: 1.3000480399108338
Energy: 1.3913241277857649
Energy: 1.3000480399108338
Energy: 1.3204566071980475
Energy: 1.1264514893840758
Energy: 1.3204566071980475
Energy: 1.1264514893840758
Energy: 1.3204566071980475
Energy: 1.1264514893840758
Energy: 1.2498172306332398
Energy: 1.3453663332949999
Energy: 1.2498172306332398
Energy: 1.3453663332949999
Energy: 1.2498172306332398
Energy: 1.3453663332949999
Energy: 1.3251378943432053
Energy: 1.150357364803067
Energy: 1.3251378943432053
Energy: 1.150357364803067
Energy: 1.3251378943432053
Energy: 1.150357364803067
Energy: 1.1236942813037336
Energy: 1.2705814129113084
Energy: 1.1236975783819034
Energy: 1.2705814129113084
Energy: 1.1236942813037336
Energy: 1.2705814129113084
Energy: 1.4251864902588973
Energy: 1.3399012674723756
Energy: 1.4251864902588973
Energy: 1.3399012674723756
Energy: 1.4251864902588973
Energy: 1.3399012674723756
Energy: 1.322623197137461
Energy: 1.1590564006510296
Energy: 1.322623197137461
Energy: 1.1590564006510296
Energy: 1.322623197137461
Energy: 1.1590564006510296
Energy: 1.1578361174713419
Energy: 1.220474236605202
Energy: 1.1578361174713419
Energy: 1.220474236605202
Energy: 1.1578361174713419
Energy: 1.220474236605202
Energy: 1.099236306268202
Energy: 1.4551256936765347
Energy: 1.0992489772424463
Energy: 1.4551256936765347
Energy: 1.099236306268202
Energy: 1.4551256936765347
Energy: 1.3396983200653283
Energy: 1.2110218359166929
Energy: 1.3396983200653283
Energy: 1.2110218359166929
Energy: 1.3396983200653283
Energy: 1.2110218359166929
Energy: 1.1547072720212372
Energy: 1.3591503254154256
Energy: 1.1547072720212372
Energy: 1.3591503254154256
Energy: 1.1547072720212372
Energy: 1.3591503254154256
Energy: 1.3232878676807287
Energy: 1.1504296898392607
Energy: 1.3232878676807287
Energy: 1.1504296898392607
Energy: 1.3232878676807287
Energy: 1.1504296898392607
Energy: 1.2218084586727282
Energy: 1.4001730160845771
Energy: 1.2218084586727282
Energy: 1.4001730160845771
Energy: 1.2218084586727282
Energy: 1.4001730160845771
Energy: 1.4245617393950785
Energy: 1.1617758087030434
Energy: 1.4245617393950785
Energy: 1.1617758087030434
Energy: 1.4245617393950785
Energy: 1.1617758087030434
Energy: 1.2478934154004917
Energy: 1.1170127234746747
Energy: 1.223117447987065
Energy: 1.1170127234746747
Energy: 1.2478934154004917
Energy: 1.1170127234746747
Energy: 1.19355203291528
Energy: 1.3238797401807434
Energy: 1.19355203291528
Energy: 1.3238797401807434
Energy: 1.19355203291528
Energy: 1.3238797401807434
Energy: 1.126641604659706
Energy: 1.4507755161954348
Energy: 1.126641604659706
Energy: 1.4507755161954348
Energy: 1.126641604659706
Energy: 1.4507755161954348
Energy: 1.1606253113241538
Energy: 1.1221418287457279
Energy: 1.1606253113241538
Energy: 1.1221418287457279
Energy: 1.1606253113241538
Energy: 1.1221418287457279
Energy: 1.1535736884638945
Energy: 1.3215153585971802
Energy: 1.1535898217047125
Energy: 1.3215153585971802
Energy: 1.1535736884638945
Energy: 1.3215153585971802
Energy: 1.318165635195943
Energy: 1.2521887663751936
Energy: 1.318165635195943
Energy: 1.2521887663751936
Energy: 1.318165635195943
Energy: 1.2521887663751936
Energy: 1.308340849311934
Energy: 1.3283438397558829
Energy: 1.308340849311934
Energy: 1.3283438397558829
Energy: 1.308340849311934
Energy: 1.3283438397558829
Energy: 1.2729618117305883
Energy: 1.3290666157617812
Energy: 1.2729618117305883
Energy: 1.3290666157617812
Energy: 1.2729618117305883
Energy: 1.3290666157617812
Energy: 1.3227667320708394
Energy: 1.2546511983126827
Energy: 1.3227676294502089
Energy: 1.2546511983126827
Energy: 1.3227667320708394
Energy: 1.2546511983126827
Energy: 1.158118914702107
Energy: 1.3128372547148137
Energy: 1.158118914702107
Energy: 1.3128372547148137
Energy: 1.158118914702107
Energy: 1.3128372547148137
Energy: 1.1837650698335003
Energy: 1.120385412807981
Energy: 1.1837650698335003
Energy: 1.120385412807981
Energy: 1.1837650698335003
Energy: 1.120385412807981
Energy: 1.1502839679846786
Energy: 1.424417593182973
Energy: 1.150278120018101
Energy: 1.424417593182973
Energy: 1.1502839679846786
Energy: 1.424417593182973
Energy: 1.1560793607443443
Energy: 1.3278462115041516
Energy: 1.1560793607403979
Energy: 1.3278462115041516
Energy: 1.1560793607443443
Energy: 1.3278462115041516
Energy: 1.223196372086449
Energy: 1.1142544906628218
Energy: 1.223196372086449
Energy: 1.1142544906628218
Energy: 1.223196372086449
Energy: 1.1142544906628218
Energy: 1.459867200655572
Energy: 1.134566859638819
Energy: 1.459867200655572
Energy: 1.134566859638819
Energy: 1.459867200655572
Energy: 1.134566859638819
Energy: 1.238766445474192
Energy: 1.3448420882075611
Energy: 1.238766445474192
Energy: 1.3448420882075611
Energy: 1.238766445474192
Energy: 1.3448420882075611
Energy: 1.3157880323410152
Energy: 1.1504233383003277
Energy: 1.3157880323410152
Energy: 1.1504233383003277
Energy: 1.3157880323410152
Energy: 1.1504233383003277
Energy: 1.157997344681731
Energy: 1.3770656756076922
Energy: 1.158004412413092
Energy: 1.3770656756076922
Energy: 1.157997344681731
Energy: 1.3770656756076922
Energy: 1.3687540873765753
Energy: 1.2450895147108265
Energy: 1.3687540873765753
Energy: 1.2450895147108265
Energy: 1.3687540873765753
Energy: 1.2450895147108265
Energy: 1.0994090311218057
Energy: 1.4213251495451746
Energy: 1.0994090311178952
Energy: 1.4213251495451746
Energy: 1.0994090311218057
Energy: 1.4213251495451746

minimum gb energy = 1.099236306268202 eV
minimum distance =  2.33504169807048 Angstroms
sigma value = 67


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

Energy: 1.2045299719419142
Energy: 1.1406410630649366
Energy: 1.2045299719419142
Energy: 1.1406410630649366
Energy: 1.2045299719419142
Energy: 1.1406410630649366
Energy: 1.1241583197648757
Energy: 1.1030928378443188
Energy: 1.1241583197648757
Energy: 1.1030928378443188
Energy: 1.1241583197648757
Energy: 1.1030928378443188
Energy: 1.5195043377075883
Energy: 1.757979970454851
Energy: 1.6521244637942523
Energy: 1.757979970454851
Energy: 1.1062554063046495
Energy: 1.757979970454851
Energy: 1.1240919294917677
Energy: 1.103118528775194
Energy: 1.1240919294917677
Energy: 1.103118528775194
Energy: 1.1240919294917677
Energy: 1.103118528775194
Energy: 1.2045299719419142
Energy: 1.1406410630649366
Energy: 1.2045299719419142
Energy: 1.1406410630649366
Energy: 1.2045299719419142
Energy: 1.1406410630649366
Energy: 1.1241583197648757
Energy: 1.1030928378443188
Energy: 1.1241583197648757
Energy: 1.1030928378443188
Energy: 1.1241583197648757
Energy: 1.1030928378443188
Energy: 1.1062554063046495
Energy: 1.757979970454851
Energy: 1.1062554063046495
Energy: 1.757979970454851
Energy: 1.1062554063046495
Energy: 1.757979970454851

minimum gb energy = 1.1030928378443188 eV
minimum distance =  2.4170350678457 Angstroms
sigma value = 3


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

Energy: 1.442379397411498
Energy: 1.2365156484622837
Energy: 1.5190159474320306
Energy: 1.2365156484622837
Energy: 1.442379397411498
Energy: 1.2365156484622837
Energy: 1.271408928286251
Energy: 1.2305063788045008
Energy: 1.271408928286251
Energy: 1.2305063788045008
Energy: 1.271408928286251
Energy: 1.2305063788009116
Energy: 1.3065529605965254
Energy: 1.4957875495623414
Energy: 1.2996280392071482
Energy: 1.4957875495623414
Energy: 1.3065529605929362
Energy: 1.4957875495623414
Energy: 1.3666817836309773
Energy: 1.2856182280098305
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Energy: 1.363870424751458
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Energy: 1.2809002956721418
Energy: 1.3299341922952475
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Energy: 1.3299341922952475
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Energy: 1.337244737132572
Energy: 1.2930090812283046
Energy: 1.337244737132572
Energy: 1.2930090812283046
Energy: 1.3372447371218377
Energy: 1.2930090812283046
Energy: 1.2046019427178947
Energy: 1.5148156692000847
Energy: 1.2044701676549536
Energy: 1.5148156692000847
Energy: 1.2046019427178947
Energy: 1.5148156692000847
Energy: 1.4530084334048288
Energy: 1.257969039692211
Energy: 1.453008433408418
Energy: 1.257969039692211
Energy: 1.4530084334048288
Energy: 1.257969039692211
Energy: 1.332969660703496
Energy: 1.417222113876464
Energy: 1.332969660703496
Energy: 1.4172221138800531
Energy: 1.332969660703496
Energy: 1.4172221138800531
Energy: 1.348147285964752
Energy: 1.183905462945583
Energy: 1.348147285964752
Energy: 1.183905462949172
Energy: 1.348147285964752
Energy: 1.183905462949172
Energy: 1.3329297788633667
Energy: 1.2455460722725848
Energy: 1.3329297788633667
Energy: 1.2455460722725848
Energy: 1.3329297788633667
Energy: 1.2455460722725848
Energy: 1.3999609009075553
Energy: 1.2958591040770173
Energy: 1.3999609009075553
Energy: 1.2958591040770173
Energy: 1.3999609009075553
Energy: 1.2958591040770173
Energy: 1.2982168606115854
Energy: 1.368232205311458
Energy: 1.298216967903117
Energy: 1.368232205311458
Energy: 1.2982168606115854
Energy: 1.368232205311458
Energy: 1.264240561657257
Energy: 1.22643396039202
Energy: 1.264240561657257
Energy: 1.22643396039202
Energy: 1.264240561657257
Energy: 1.22643396039202
Energy: 1.2042455634661482
Energy: 1.3792729921578417
Energy: 1.2042455634661482
Energy: 1.3792729921578417
Energy: 1.2042455634661482
Energy: 1.3792729921578417
Energy: 1.3172938445066977
Energy: 1.3362529170003081
Energy: 1.3172938445066977
Energy: 1.3362529170003081
Energy: 1.3172938445066977
Energy: 1.3362529170003081
Energy: 1.3796310664206044
Energy: 1.2934742924940668
Energy: 1.379635866131542
Energy: 1.2934742924940668
Energy: 1.3796310664206044
Energy: 1.2934742924940668

minimum gb energy = 1.1807926606316483 eV
minimum distance =  2.28688682458568 Angstroms
sigma value = 81


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

Energy: 1.2898684997979202
Energy: 1.2766799330812377
Energy: 1.2898684997979202
Energy: 1.2766799330812377
Energy: 1.2898684997974275
Energy: 1.2766799330807455
Energy: 1.3003621770561569
Energy: 1.1990959140784527
Energy: 1.3003621770561569
Energy: 1.1990959140784527
Energy: 1.3003621770561569
Energy: 1.1990959140784527
Energy: 1.2059748333186215
Energy: 1.2761616279542405
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Energy: 1.2059748333186215
Energy: 1.2761616279542405
Energy: 1.2094089042609248
Energy: 1.1799881298930728
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Energy: 1.2818813672432692
Energy: 1.2407902248367018
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Energy: 1.2407902248367018
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Energy: 1.206021642916764
Energy: 1.238444442710257
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Energy: 1.206021642916764
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Energy: 1.238761884643187
Energy: 1.2902014369494117
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Energy: 1.2364077393814858
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Energy: 1.2658178808268963
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Energy: 1.2658178808268963
Energy: 1.3106572597255366
Energy: 1.2958365251733652
Energy: 1.2351965706143635
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Energy: 1.2958365251733652
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Energy: 1.3516719736321785
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Energy: 1.270554702427878
Energy: 1.2891186107317825
Energy: 1.239717863736392
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Energy: 1.239717863736392
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Energy: 1.239717863736392
Energy: 1.4138093317651792
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Energy: 1.31593118587795
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Energy: 1.2525963080540068
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Energy: 1.179213677171046
Energy: 1.3901713254336743
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Energy: 1.3901713254336743
Energy: 1.1792136771715385
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Energy: 1.2400204559303052
Energy: 1.310899305182335
Energy: 1.2400204559303052
Energy: 1.3108993051818423
Energy: 1.2400204559303052
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Energy: 1.3454646913028052
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Energy: 1.3454646913023125
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Energy: 1.3454646913023125
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Energy: 1.2822971382703308
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Energy: 1.2822971382703308
Energy: 1.2937028150987209
Energy: 1.3340874920345058
Energy: 1.2937028150987209
Energy: 1.3340874920345058
Energy: 1.2937028150987209
Energy: 1.3340874920340133
Energy: 1.3723091953592546
Energy: 1.5015394783291443
Energy: 1.3723091953592546
Energy: 1.5015394783291443
Energy: 1.3723091953592546
Energy: 1.5015394783291443
Energy: 1.2991246497768298
Energy: 1.2094808248033777
Energy: 1.2991246497768298
Energy: 1.2094808248033777
Energy: 1.2991246497768298
Energy: 1.2094808248033777
Energy: 1.3050061292553115
Energy: 1.238498712326144
Energy: 1.3050061292553115
Energy: 1.2384987123266367
Energy: 1.3050061292553115
Energy: 1.238498712326144
Energy: 1.1992370292484653
Energy: 1.2948029139250683
Energy: 1.1992370292484653
Energy: 1.2948029139250683
Energy: 1.1992370292479728
Energy: 1.2948029139250683
Energy: 1.2759755019920416
Energy: 1.1327132917623657
Energy: 1.2759755019920416
Energy: 1.1327132917623657
Energy: 1.2759755019920416
Energy: 1.1327132917623657
Energy: 1.181922632902454
Energy: 1.3537075514918655
Energy: 1.1819226329019612
Energy: 1.3537075514918655
Energy: 1.1819226329019612
Energy: 1.3537075514918655
Energy: 1.2408071044009807
Energy: 1.2828278112700655
Energy: 1.2408071044014735
Energy: 1.2828278112700655
Energy: 1.2408071044009807
Energy: 1.2828278112705582
Energy: 1.2377243620321026
Energy: 1.2698457870673223
Energy: 1.2377243620321026
Energy: 1.2698457870673223
Energy: 1.2377243620321026
Energy: 1.2698457870673223
Energy: 1.2386815065356267
Energy: 1.2936171070783764
Energy: 1.2386815065356267
Energy: 1.293617107077884
Energy: 1.2386815065356267
Energy: 1.2936171070783764
Energy: 1.203704831829979
Energy: 1.4029753367920996
Energy: 1.203704831829979
Energy: 1.4029753367920996
Energy: 1.2037048318304715
Energy: 1.4029753367920996
Energy: 1.2916552065416342
Energy: 1.1798053239476027
Energy: 1.2916552065416342
Energy: 1.1798053239476027
Energy: 1.2916552065416342
Energy: 1.1798053239476027
Energy: 1.1996180697858687
Energy: 1.2378141177317767
Energy: 1.1996180697858687
Energy: 1.2378141177317767
Energy: 1.1996180697858687
Energy: 1.2378141177317767
Energy: 1.2907865368873446
Energy: 1.2434573013990455
Energy: 1.2907865368873446
Energy: 1.243457301399538
Energy: 1.2907865368873446
Energy: 1.2434573013990455

minimum gb energy = 1.1327132917623657 eV
minimum distance =  2.32032514277507 Angstroms
sigma value = 43


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

Energy: 1.462599341344557
Energy: 1.2020000535133615
Energy: 1.462599341344557
Energy: 1.2020000535133615
Energy: 1.462599341344557
Energy: 1.2020000535133615
Energy: 1.249196909567489
Energy: 1.1485286174133609
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Energy: 1.2675028153058485
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Energy: 1.3707667009358082
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Energy: 1.3707667009358082
Energy: 1.1496276689892344
Energy: 1.3466486648512117
Energy: 1.3183738063797505
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Energy: 1.3183738063797505
Energy: 1.3466486648512117
Energy: 1.3183738063797505
Energy: 1.3467267843674533
Energy: 1.309063432922511
Energy: 1.3467267843674533
Energy: 1.309063432922511
Energy: 1.3467267843674533
Energy: 1.309063432922511
Energy: 1.370793660688731
Energy: 1.3322633841321392
Energy: 1.370793660688731
Energy: 1.3322633841321392
Energy: 1.370793660688731
Energy: 1.3322633841321392
Energy: 1.2694456193733972
Energy: 1.3290800822409612
Energy: 1.2694456193733972
Energy: 1.329080082241566
Energy: 1.2694456193733972
Energy: 1.329080082241566
Energy: 1.3399641623336298
Energy: 1.2817961300125469
Energy: 1.3399641623330247
Energy: 1.2817961300125469
Energy: 1.3399641623336298
Energy: 1.2817961300119416
Energy: 1.1322314526453037
Energy: 1.271544037188652
Energy: 1.1322314526453037
Energy: 1.271544037188652
Energy: 1.1322314526459087
Energy: 1.271544037188652
Energy: 1.3106388679202656
Energy: 1.267873257554218
Energy: 1.3106388679202656
Energy: 1.267873257554218
Energy: 1.3106388679202656
Energy: 1.267873257554218
Energy: 1.2968030288385266
Energy: 1.336172361425757
Energy: 1.2968030288385266
Energy: 1.336172361425152
Energy: 1.2968030288385266
Energy: 1.336172361425152
Energy: 1.33811373237764
Energy: 1.3162046319243286
Energy: 1.33811373237764
Energy: 1.3162046319243286
Energy: 1.3381137323770347
Energy: 1.3162046319243286
Energy: 1.314463930335028
Energy: 1.2202417809082233
Energy: 1.314463930335028
Energy: 1.2202417809082233
Energy: 1.314463930335028
Energy: 1.2202417809082233
Energy: 1.4124452548962239
Energy: 1.2443187149597386
Energy: 1.4124452548962239
Energy: 1.2443187149597386
Energy: 1.4124452548962239
Energy: 1.2443187149597386
Energy: 1.2969115647309677
Energy: 1.2945887728985033
Energy: 1.2969115647309677
Energy: 1.2945887728985033
Energy: 1.2969115647309677
Energy: 1.2945887728985033
Energy: 1.3253791408679754
Energy: 1.346339594878429
Energy: 1.3253791408679754
Energy: 1.346339594878429
Energy: 1.3253791408679754
Energy: 1.346339594878429
Energy: 1.3002590743139038
Energy: 1.2672670612292083
Energy: 1.3002590743139038
Energy: 1.2672670612292083
Energy: 1.3002590743139038
Energy: 1.2672670612292083

minimum gb energy = 1.1322314526453037 eV
minimum distance =  2.3392006078019 Angstroms
sigma value = 57


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

Energy: 1.2597474066730732
Energy: 1.1164726287699562
Energy: 1.2597474066730732
Energy: 1.1164726287699562
Energy: 1.2597474066730732
Energy: 1.1164726287699562
Energy: 1.1928319257052238
Energy: 1.0477059690521595
Energy: 1.1928319257052238
Energy: 1.04770596911558
Energy: 1.1928319257052238
Energy: 1.047705969076445
Energy: 1.3071614166533874
Energy: 1.373583966544009
Energy: 1.3071614166533874
Energy: 1.373583966544009
Energy: 1.3071614166533874
Energy: 1.373583966544009
Energy: 1.3166737517192402
Energy: 1.4330739605554539
Energy: 1.3166737517192402
Energy: 1.433073960556237
Energy: 1.3166737517192402
Energy: 1.4330739605554539
Energy: 1.2192790056135565
Energy: 1.215229747744177
Energy: 1.2192790056135565
Energy: 1.2152297477449603
Energy: 1.2192790056135565
Energy: 1.215229747744177
Energy: 1.3105815881452725
Energy: 1.1937627721481554
Energy: 1.3105815881452725
Energy: 1.1937627721481554
Energy: 1.3105815881452725
Energy: 1.1937627721481554
Energy: 1.2736302915692268
Energy: 1.317403973703548
Energy: 1.2736302915692268
Energy: 1.3174039737027645
Energy: 1.2736302915692268
Energy: 1.317403973703548
Energy: 1.3197689736506124
Energy: 1.1170156960298634
Energy: 1.3197689736506124
Energy: 1.1170156784195575
Energy: 1.3197689736506124
Energy: 1.1170156760359264
Energy: 1.224976002833595
Energy: 1.0484770496141746
Energy: 1.224976002833595
Energy: 1.0484770527229228
Energy: 1.224976002833595
Energy: 1.0484770533110142
Energy: 1.0743103725872567
Energy: 1.2845477475958464
Energy: 1.0743103725872567
Energy: 1.2845477475958464
Energy: 1.0743103725872567
Energy: 1.2845477475958464
Energy: 1.2733846641408308
Energy: 1.4343586336677314
Energy: 1.2733846641408308
Energy: 1.4343586336685146
Energy: 1.2733846641408308
Energy: 1.4343586336677314
Energy: 1.3634935319484676
Energy: 1.3062675143244333
Energy: 1.3634935319484676
Energy: 1.3062675143244333
Energy: 1.3634935319484676
Energy: 1.30626751432365
Energy: 1.2660594402485024
Energy: 1.0481046242370846
Energy: 1.266059440247719
Energy: 1.0481046661066378
Energy: 1.266059440247719
Energy: 1.0481046638898015
Energy: 1.4071160036085777
Energy: 1.0555882100805107
Energy: 1.4071160036085777
Energy: 1.0555882100711458
Energy: 1.4071160036085777
Energy: 1.0555882100789442
Energy: 1.2564244041595731
Energy: 1.0556575584133614
Energy: 1.2564244041595731
Energy: 1.0556575584133614
Energy: 1.2564244041595731
Energy: 1.0556575584133614
Energy: 1.3757958084180189
Energy: 1.171509270795615
Energy: 1.3757958084180189
Energy: 1.171509270795615
Energy: 1.3757958084180189
Energy: 1.171509270795615
Energy: 1.0741908625828465
Energy: 1.19296056654975
Energy: 1.0741908625828465
Energy: 1.19296056654975
Energy: 1.0741908625828465
Energy: 1.19296056654975
Energy: 1.271775769870771
Energy: 1.266276393390526
Energy: 1.271775769870771
Energy: 1.266276393390526
Energy: 1.271775769870771
Energy: 1.266276393390526
Energy: 1.074325822069256
Energy: 1.1929392551772777
Energy: 1.074325822069256
Energy: 1.1929392551772777
Energy: 1.0743258220684728
Energy: 1.1929392551772777
Energy: 1.375811210600758
Energy: 1.171597492806836
Energy: 1.375811210600758
Energy: 1.171597492806836
Energy: 1.375811210600758
Energy: 1.171597492806836
Energy: 1.256334061563853
Energy: 1.0557202922955327
Energy: 1.256334061563853
Energy: 1.055720292305717
Energy: 1.256334061563853
Energy: 1.0557202922673656
Energy: 1.4070985577263215
Energy: 1.166666448681789
Energy: 1.4070985577263215
Energy: 1.166666448681789
Energy: 1.4070985577263215
Energy: 1.166666448681789
Energy: 1.2662258014929217
Energy: 1.0481158836653348
Energy: 1.2662258014937053
Energy: 1.0481158501322596
Energy: 1.2662258014937053
Energy: 1.0481158430009154
Energy: 1.363869258530321
Energy: 1.3067232513296239
Energy: 1.363869258530321
Energy: 1.3067232513296239
Energy: 1.363869258530321
Energy: 1.3067232513296239

minimum gb energy = 1.0477059690521595 eV
minimum distance =  2.27053641089226 Angstroms
sigma value = 17


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

Energy: 1.220564358545579
Energy: 1.0664404914880983
Energy: 1.220564358545579
Energy: 1.0664404914880983
Energy: 1.220564358545579
Energy: 1.0664404914880983
Energy: 1.0277940212161267
Energy: 1.155770372629336
Energy: 1.0277940212172347
Energy: 1.155770372629336
Energy: 1.0277940212161267
Energy: 1.155770372629336
Energy: 1.2394137600792627
Energy: 1.1855624841513925
Energy: 1.2394137600792627
Energy: 1.1855624841513925
Energy: 1.2394137600792627
Energy: 1.1855624841513925
Energy: 0.9670837924981367
Energy: 1.3244612920399552
Energy: 0.9670837924981367
Energy: 1.3244612920399552
Energy: 0.9670837924981367
Energy: 1.3244612920399552
Energy: 1.231703607559679
Energy: 1.2645915296951011
Energy: 1.231703607559679
Energy: 1.2645915296962091
Energy: 1.231703607559679
Energy: 1.2645915296951011
Energy: 1.2428929743331687
Energy: 1.1759944179960107
Energy: 1.2428929743331687
Energy: 1.1759944179960107
Energy: 1.2428929743331687
Energy: 1.1759944179960107
Energy: 1.1475677853392805
Energy: 1.162863960207899
Energy: 1.1475677853392805
Energy: 1.162863960207899
Energy: 1.1475677853392805
Energy: 1.162863960207899
Energy: 0.9668726003171824
Energy: 1.2251852443790376
Energy: 0.9668726003171824
Energy: 1.2251852443790376
Energy: 0.9668726003160745
Energy: 1.2251852443790376
Energy: 1.15474993331908
Energy: 1.1588572348032053
Energy: 1.15474993331908
Energy: 1.1588572348032053
Energy: 1.15474993331908
Energy: 1.1588572348032053
Energy: 1.2177534800093708
Energy: 1.1801015359788567
Energy: 1.2177534800093708
Energy: 1.1801015359788567
Energy: 1.2177534800104786
Energy: 1.1801015359788567
Energy: 1.2180170256181744
Energy: 1.1964444660401266
Energy: 1.2180170256181744
Energy: 1.1964444660401266
Energy: 1.2180170256181744
Energy: 1.1964444660401266
Energy: 1.2052755580956387
Energy: 1.2174289930151316
Energy: 1.2052755580956387
Energy: 1.2174289930151316
Energy: 1.2052755580956387
Energy: 1.2174289930151316
Energy: 1.122269344901252
Energy: 1.1740424971593377
Energy: 1.122269344901252
Energy: 1.1740424971593377
Energy: 1.122269344901252
Energy: 1.1740424971593377
Energy: 1.0900293942182753
Energy: 1.1858611587620271
Energy: 1.0900293942182753
Energy: 1.1858611587609191
Energy: 1.0900293942182753
Energy: 1.1858611587609191
Energy: 1.2434080647832715
Energy: 1.352016825781805
Energy: 1.2434080647832715
Energy: 1.352016825781805
Energy: 1.2434080647832715
Energy: 1.352016825781805
Energy: 1.242738150244488
Energy: 1.236667947095829
Energy: 1.242738150244488
Energy: 1.236667947095829
Energy: 1.242738150244488
Energy: 1.236667947095829
Energy: 1.0881634452994244
Energy: 1.185757658562227
Energy: 1.0881634452994244
Energy: 1.185757658562227
Energy: 1.0881634452994244
Energy: 1.185757658562227

minimum gb energy = 0.9668726003160745 eV
minimum distance =  2.34130081241069 Angstroms
sigma value = 17


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

Energy: 1.1000754417617131
Energy: 0.9766175158680939
Energy: 1.1000754417617131
Energy: 0.9766175158680939
Energy: 1.1000754417617131
Energy: 0.9766175158680939
Energy: 0.9912297720587077
Energy: 1.0706252929982818
Energy: 0.9912297720587077
Energy: 1.0706252929982818
Energy: 0.9912297720587077
Energy: 1.0706252929982818
Energy: 1.1135483570459113
Energy: 1.0804066304901796
Energy: 1.1135483570459113
Energy: 1.0804066304901796
Energy: 1.1135483570459113
Energy: 1.0804066304901796
Energy: 0.9028043182230359
Energy: 1.0669556247601242
Energy: 0.9028043182230359
Energy: 1.0669556247601242
Energy: 0.9028043182230359
Energy: 1.0669556247601242
Energy: 1.3291389230468116
Energy: 1.131888773175848
Energy: 1.3291389230468116
Energy: 1.131888773175848
Energy: 1.3291389230468116
Energy: 1.131888773175848
Energy: 1.0532971346753917
Energy: 0.9867858385742254
Energy: 1.0532971346753917
Energy: 0.9867858385742254
Energy: 1.0532971346753917
Energy: 0.9867858385742254
Energy: 0.9884693422181933
Energy: 1.094382813301667
Energy: 0.9884693422181933
Energy: 1.094382813301667
Energy: 0.9884693422181933
Energy: 1.094382813301667
Energy: 0.988757923298155
Energy: 1.2798578723369478
Energy: 0.988757923298155
Energy: 1.2798578723369478
Energy: 0.988757923298155
Energy: 1.2798578723369478
Energy: 1.1289893440408425
Energy: 1.0320823672867097
Energy: 1.1289893440408425
Energy: 1.0320823672867097
Energy: 1.1289893440408425
Energy: 1.0320823672867097
Energy: 0.9906936924312053
Energy: 1.0071372850501346
Energy: 0.9906936924312053
Energy: 1.0071372850501346
Energy: 0.9906936924312053
Energy: 1.0071372850501346
Energy: 1.0169420189590146
Energy: 1.2267213309464726
Energy: 1.0169420189590146
Energy: 1.2267213309464726
Energy: 1.0169420189590146
Energy: 1.2267213309464726
Energy: 1.101047492455209
Energy: 1.059959006463998
Energy: 1.101047492455209
Energy: 1.059959006463998
Energy: 1.101047492455209
Energy: 1.059959006463998
Energy: 1.1170649332327403
Energy: 1.1035020080315978
Energy: 1.1170649332327403
Energy: 1.1035020080273192
Energy: 1.1170649332327403
Energy: 1.1035020080273192
Energy: 1.118743180119017
Energy: 1.083547129713867
Energy: 1.118743180119017
Energy: 1.083547129713867
Energy: 1.118743180119017
Energy: 1.083547129713867
Energy: 1.1018030020520617
Energy: 1.060960252177185
Energy: 1.1018030020520617
Energy: 1.060960252177185
Energy: 1.1018030020520617
Energy: 1.060960252177185
Energy: 1.014858556597464
Energy: 1.1405644973920999
Energy: 1.014858556597464
Energy: 1.1405644973920999
Energy: 1.014858556597464
Energy: 1.1405644973920999
Energy: 0.9937356768518267
Energy: 1.035316602994784
Energy: 0.9937356768518267
Energy: 1.035316602994784
Energy: 0.9937356768518267
Energy: 1.035316602994784
Energy: 1.210375910351931
Energy: 1.2309236562906714
Energy: 1.210375910351931
Energy: 1.2309236562906714
Energy: 1.210375910351931
Energy: 1.2309236562906714
Energy: 1.1046752418813712
Energy: 1.3310882212360156
Energy: 1.1046752418813712
Energy: 1.3310882212360156
Energy: 1.1046752418813712
Energy: 1.3310882212360156
Energy: 0.993126185839215
Energy: 1.0380334919411103
Energy: 0.993126185839215
Energy: 1.0380334919411103
Energy: 0.9931261858434934
Energy: 1.0380334919411103
Energy: 1.104937168677196
Energy: 1.331315905631109
Energy: 1.104937168677196
Energy: 1.331315905631109
Energy: 1.104937168677196
Energy: 1.331315905631109
Energy: 1.2103218071170412
Energy: 1.2305428568750463
Energy: 1.2103218071170412
Energy: 1.2305428568750463
Energy: 1.2103218071170412
Energy: 1.2305428568750463
Energy: 0.9938317097279095
Energy: 1.0349888129028855
Energy: 0.9938317097279095
Energy: 1.0349888129028855
Energy: 0.9938317097279095
Energy: 1.0349888129028855
Energy: 1.014981120946589
Energy: 1.1093973554629142
Energy: 1.014981120946589
Energy: 1.1093973554629142
Energy: 1.014981120946589
Energy: 1.1093973554629142
Energy: 1.101395482674647
Energy: 1.0600460683569302
Energy: 1.101395482674647
Energy: 1.0600460683569302
Energy: 1.101395482674647
Energy: 1.0600460683569302
Energy: 1.118679839063512
Energy: 1.0844134063422268
Energy: 1.118679839063512
Energy: 1.0844134063422268
Energy: 1.118679839063512
Energy: 1.0844134063422268
Energy: 1.1169583504148404
Energy: 1.1033600888205928
Energy: 1.1169583504148404
Energy: 1.1033600888205928
Energy: 1.1169583504148404
Energy: 1.1033600888205928
Energy: 1.101067945406369
Energy: 1.059238119097745
Energy: 1.101067945406369
Energy: 1.059238119097745
Energy: 1.101067945406369
Energy: 1.059238119097745
Energy: 1.0164033997072397
Energy: 1.2267878107566692
Energy: 1.0164033997072397
Energy: 1.2267878107566692
Energy: 1.0164033997072397
Energy: 1.2267878107566692
Energy: 0.9908633818526419
Energy: 1.0071249014187043
Energy: 0.9908633818526419
Energy: 1.0071249014187043
Energy: 0.9908633818526419
Energy: 1.0071249014187043
Energy: 1.128804125797288
Energy: 1.0331302335368706
Energy: 1.128804125797288
Energy: 1.0331302335368706
Energy: 1.128804125797288
Energy: 1.0331302335368706
Energy: 1.098649618437676
Energy: 1.2797398601000372
Energy: 1.098649618437676
Energy: 1.2797398601000372
Energy: 1.098649618437676
Energy: 1.2797398601000372
Energy: 0.9912708469148787
Energy: 1.0941838776367006
Energy: 0.9912708469148787
Energy: 1.0941838776367006
Energy: 0.9912708469148787
Energy: 1.0941838776367006
Energy: 1.053346887150366
Energy: 0.9517667480115239
Energy: 1.053346887150366
Energy: 0.9517667480115239
Energy: 1.053346887150366
Energy: 0.9517667480115239
Energy: 1.3292147403274173
Energy: 1.132241079075474
Energy: 1.3292147403274173
Energy: 1.132241079075474
Energy: 1.3292147403274173
Energy: 1.132241079075474
Energy: 0.9028405555910975
Energy: 1.1560318561563991
Energy: 0.9028405555910975
Energy: 1.1560318561563991
Energy: 0.9028405555910975
Energy: 1.1560318561563991
Energy: 1.1137034213997514
Energy: 1.0791281540402775
Energy: 1.1137034213997514
Energy: 1.0791281540402775
Energy: 1.1137034213997514
Energy: 1.0791281540402775
Energy: 0.9916430756913537
Energy: 1.0706717002687698
Energy: 0.9916430756913537
Energy: 1.0706717002687698
Energy: 0.9916430756913537
Energy: 1.0706717002687698
Energy: 1.1000754417617131
Energy: 0.9766175158680939
Energy: 1.1000754417617131
Energy: 0.9766175158680939
Energy: 1.1000754417617131
Energy: 0.9766175158680939
Energy: 0.9912297720629859
Energy: 1.1119460337436418
Energy: 0.9912297720587077
Energy: 1.1119460337436418
Energy: 0.9912297720587077
Energy: 1.1119460337436418
Energy: 1.1135483570459113
Energy: 1.0804066304901796
Energy: 1.1135483570459113
Energy: 1.0804066304901796
Energy: 1.1135483570459113
Energy: 1.0804066304901796
Energy: 0.9028043182187574
Energy: 1.035988417618955
Energy: 0.9028043182230359
Energy: 1.035988417618955
Energy: 0.9028043182187574
Energy: 1.035988417618955
Energy: 1.3291389230468116
Energy: 1.131888773175848
Energy: 1.3291389230468116
Energy: 1.131888773175848
Energy: 1.3291389230468116
Energy: 1.131888773175848

minimum gb energy = 0.9028043182187574 eV
minimum distance =  2.27401193543917 Angstroms
sigma value = 57


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

Energy: 1.007724967578812
Energy: 0.9002269072125747
Energy: 1.007724967578812
Energy: 0.9002269072125747
Energy: 1.007724967578812
Energy: 0.9002269072125747
Energy: 1.0263533370404032
Energy: 0.9759513628132241
Energy: 1.0263533370404032
Energy: 0.9759513628132241
Energy: 1.0263533370404032
Energy: 0.9759513628132241
Energy: 1.0758561512607268
Energy: 1.009304754009341
Energy: 1.0528636649412535
Energy: 1.009304754009341
Energy: 1.0758561512607268
Energy: 1.009304754009341
Energy: 1.1230181532750685
Energy: 0.9869371239739102
Energy: 1.123018153275765
Energy: 0.9869371239739102
Energy: 1.1230181532771584
Energy: 0.9869371239732135
Energy: 1.1780787880024033
Energy: 0.9792231654248875
Energy: 1.1780787880024033
Energy: 0.9792231654248875
Energy: 1.1780787880024033
Energy: 0.9792231654248875
Energy: 0.990292632004947
Energy: 0.8833844847771345
Energy: 0.990292632004947
Energy: 0.8833844847771345
Energy: 0.990292632004947
Energy: 0.8833844847771345
Energy: 1.146416476412049
Energy: 1.035492703615083
Energy: 1.146416476412049
Energy: 1.035492703615083
Energy: 1.146416476412049
Energy: 1.035492703615083
Energy: 1.1537218370263278
Energy: 1.0846433283667858
Energy: 1.1537218370263278
Energy: 1.0846433283660895
Energy: 1.1537218370263278
Energy: 1.0846433283660895
Energy: 0.9863423432134676
Energy: 0.8858402440663125
Energy: 0.9863423432134676
Energy: 0.8858402440663125
Energy: 0.9863423432134676
Energy: 0.8858402440663125
Energy: 1.0189239028640504
Energy: 0.9934979098351256
Energy: 1.0189239028640504
Energy: 0.9934979098351256
Energy: 1.0189239028640504
Energy: 0.9934979098358224
Energy: 1.1471557555984169
Energy: 1.1777775542475952
Energy: 1.1471557555984169
Energy: 1.1777775542475952
Energy: 1.1471557555984169
Energy: 1.1777775542475952
Energy: 0.9419827565108388
Energy: 1.1417218129773825
Energy: 0.9419827565108388
Energy: 1.1417218129773825
Energy: 0.9419827565108388
Energy: 1.1417218129773825
Energy: 1.018002746193389
Energy: 1.0285952501236593
Energy: 1.018002746193389
Energy: 1.0285952501236593
Energy: 1.018002746193389
Energy: 1.0285952501236593
Energy: 1.122000909783666
Energy: 1.0747882905025348
Energy: 1.122000909783666
Energy: 1.0747882905025348
Energy: 1.122000909783666
Energy: 1.0747882905025348
Energy: 1.0198770150058558
Energy: 1.1573559208689992
Energy: 1.0198770150058558
Energy: 1.1573559208689992
Energy: 1.0198770150058558
Energy: 1.1573559208689992
Energy: 1.0363650493704
Energy: 1.037771406658418
Energy: 1.0363650493704
Energy: 1.037771406658418
Energy: 1.0363650493704
Energy: 1.037771406658418
Energy: 1.0190443626378094
Energy: 1.0290453428011699
Energy: 1.0190443626378094
Energy: 1.0290453428011699
Energy: 1.0190443626378094
Energy: 1.0290453428011699
Energy: 1.118883694913479
Energy: 1.1618458902297757
Energy: 1.118883694913479
Energy: 1.1618458902297757
Energy: 1.118883694913479
Energy: 1.1618458902297757
Energy: 0.9415991831425674
Energy: 1.0822897714155653
Energy: 0.9415991831425674
Energy: 1.0822897714155653
Energy: 0.9415991831425674
Energy: 1.0822897714162616
Energy: 1.0065671186914753
Energy: 0.994874649900049
Energy: 1.006567118692172
Energy: 0.9948746498993523
Energy: 1.0065671186914753
Energy: 0.994874649900049
Energy: 1.0436945611329094
Energy: 1.1480911628341957
Energy: 1.0436945611329094
Energy: 1.1480911628341957
Energy: 1.0436945611329094
Energy: 1.1480911628341957
Energy: 0.9249355662871435
Energy: 1.225623360703702
Energy: 0.9249355662871435
Energy: 1.225623360703702
Energy: 0.9249355662871435
Energy: 1.225623360703702
Energy: 0.9196917815014967
Energy: 0.9448110905847954
Energy: 0.9196917815014967
Energy: 0.9448110905847954
Energy: 0.9196917815014967
Energy: 0.9448110905847954
Energy: 1.0020923835258186
Energy: 1.1759968086751096
Energy: 1.0020923835258186
Energy: 1.1759968086751096
Energy: 1.0020923835258186
Energy: 1.1759968086751096
Energy: 1.0897909219209483
Energy: 1.1596856559959217
Energy: 1.0897909219209483
Energy: 1.1596856559959217
Energy: 1.0897909219209483
Energy: 1.1596856559959217
Energy: 0.9002271322871888
Energy: 0.9441747895026538
Energy: 0.9002271322871888
Energy: 0.9441747895019572
Energy: 0.9002271322871888
Energy: 0.9441747895026538
Energy: 0.926659930907356
Energy: 1.08231389281868
Energy: 0.926659930907356
Energy: 1.08231389281868
Energy: 0.926659930907356
Energy: 1.0823138928193765

minimum gb energy = 0.8833844847771345 eV
minimum distance =  2.29292411407285 Angstroms
sigma value = 43


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

Energy: 1.0943439281744811
Energy: 0.8198477720893982
Energy: 1.0943439281739737
Energy: 0.8198477720893982
Energy: 1.0943439281744811
Energy: 0.8198477720893982
Energy: 0.8950885613177305
Energy: 0.917480054014731
Energy: 0.8950885613177305
Energy: 0.917480054014731
Energy: 0.8950885613177305
Energy: 0.917480054014731
Energy: 0.8931485212747639
Energy: 0.9195616872132931
Energy: 0.8931485212747639
Energy: 0.9195616872132931
Energy: 0.8931485212747639
Energy: 0.9195616872132931
Energy: 0.9871252511328761
Energy: 0.8660017886460408
Energy: 0.9871252511328761
Energy: 0.8660017886460408
Energy: 0.9871252511328761
Energy: 0.8660017886455332
Energy: 0.9936678357202868
Energy: 0.8803684042571519
Energy: 0.9936678357202868
Energy: 0.8803684042571519
Energy: 0.9936678357202868
Energy: 0.8803684042571519
Energy: 0.8588728408534992
Energy: 0.8850026143948894
Energy: 0.8588728408534992
Energy: 0.8850026143948894
Energy: 0.8588728408534992
Energy: 0.8850026143948894
Energy: 0.9698694964673343
Energy: 0.8974915651817822
Energy: 0.9698694964678419
Energy: 0.8974915651817822
Energy: 0.9698694964678419
Energy: 0.8974915651817822
Energy: 1.0385370642444511
Energy: 0.9443300471434942
Energy: 1.0385370642444511
Energy: 0.9443300471434942
Energy: 1.0385370642444511
Energy: 0.9443300471434942
Energy: 0.8131575031515044
Energy: 0.877595087601227
Energy: 0.8131575031515044
Energy: 0.877595087601227
Energy: 0.8131575031515044
Energy: 0.877595087601227
Energy: 0.8944503018326653
Energy: 0.8522709821002056
Energy: 0.8944503018326653
Energy: 0.8522709821002056
Energy: 0.8944503018326653
Energy: 0.8522709820996982
Energy: 0.9927701919337689
Energy: 0.9597460398978713
Energy: 0.9927701919342765
Energy: 0.9597460398978713
Energy: 0.9927701919337689
Energy: 0.9597460398978713
Energy: 0.8242015766007005
Energy: 0.8759168356391809
Energy: 0.8242015766007005
Energy: 0.8759168356391809
Energy: 0.8242015766007005
Energy: 0.8759168356391809
Energy: 0.8942629330827085
Energy: 0.8153470644793546
Energy: 0.8942629330827085
Energy: 0.8153470644793546
Energy: 0.8942629330827085
Energy: 0.8153470644793546
Energy: 0.9784997075357361
Energy: 0.9644179441909042
Energy: 0.9784997075357361
Energy: 0.9644179441909042
Energy: 0.9784997075357361
Energy: 0.9644179441909042
Energy: 0.8567555488388334
Energy: 0.875439643991417
Energy: 0.8567555488388334
Energy: 0.875439643991417
Energy: 0.8567555488388334
Energy: 0.875439643991417
Energy: 0.9110475018213937
Energy: 0.8572460104494538
Energy: 0.9110475018213937
Energy: 0.8572460104494538
Energy: 0.9110475018213937
Energy: 0.8572460104494538
Energy: 0.9691934019490314
Energy: 0.9582344746854289
Energy: 0.9691934019490314
Energy: 0.9582344746854289
Energy: 0.9691934019490314
Energy: 0.9582344746854289
Energy: 0.8228430806116652
Energy: 0.9449828422540344
Energy: 0.8228430806116652
Energy: 0.9449828422540344
Energy: 0.8228430806116652
Energy: 0.9449828422540344
Energy: 0.8791745709112331
Energy: 0.8769826765952932
Energy: 0.8791745709112331
Energy: 0.8769826765952932
Energy: 0.8791745709112331
Energy: 0.8769826765952932
Energy: 1.0192312038065903
Energy: 0.9777961568260191
Energy: 1.0192312038065903
Energy: 0.9777961568260191
Energy: 1.0192312038065903
Energy: 0.9777961568260191
Energy: 0.8889348435698736
Energy: 0.9718758173126819
Energy: 0.8889348435698736
Energy: 0.9718758173121743
Energy: 0.8889348435698736
Energy: 0.9718758173126819
Energy: 0.929413947255473
Energy: 0.8984310839218392
Energy: 0.929413947255473
Energy: 0.8984310839223468
Energy: 0.929413947255473
Energy: 0.8984310839223468
Energy: 0.9264096554268088
Energy: 0.8894043009315048
Energy: 0.9264096554268088
Energy: 0.8894043009315048
Energy: 0.9264096554273163
Energy: 0.8894043009315048
Energy: 0.9571321508501701
Energy: 0.9714495791792993
Energy: 0.9571321508501701
Energy: 0.9714495791792993
Energy: 0.9571321508501701
Energy: 0.9714495791792993
Energy: 0.8800852656117807
Energy: 0.849739271875941
Energy: 0.8800852656122883
Energy: 0.849739271875941
Energy: 0.8800852656122883
Energy: 0.849739271875941
Energy: 0.879327477980867
Energy: 0.8692122314979395
Energy: 0.879327477980867
Energy: 0.8692122314979395
Energy: 0.879327477980867
Energy: 0.8692122314974321
Energy: 0.8508806455835769
Energy: 1.0056255538597803
Energy: 0.8508806455835769
Energy: 1.0056255538597803
Energy: 0.8508806455835769
Energy: 1.0056255538597803
Energy: 0.856710412875737
Energy: 1.0702556510181969
Energy: 0.856710412875737
Energy: 1.0702556510181969
Energy: 0.856710412875737
Energy: 1.0702556510181969
Energy: 0.7813656035054534
Energy: 0.817503763147989
Energy: 0.7813656035054534
Energy: 0.8175037631474816
Energy: 0.7813656035054534
Energy: 0.8175037631474816
Energy: 0.8486099229772921
Energy: 0.9839759759686652
Energy: 0.8486099229772921
Energy: 0.9839759759686652
Energy: 0.8486099229772921
Energy: 0.9839759759686652
Energy: 0.8528244618608679
Energy: 1.0573769340989851
Energy: 0.8528244618608679
Energy: 1.0573769340989851
Energy: 0.8528244618608679
Energy: 1.0573769340989851
Energy: 0.7826250931477968
Energy: 0.7920859146177734
Energy: 0.7826250931472892
Energy: 0.7920859146177734
Energy: 0.7826250931477968
Energy: 0.7920859146177734
Energy: 0.8205397825798499
Energy: 0.8718960288591897
Energy: 0.8205397825798499
Energy: 0.8718960288591897
Energy: 0.8205397825798499
Energy: 0.8718960288591897
Energy: 1.0010134362432752
Energy: 0.9978314931941669
Energy: 1.0010134362432752
Energy: 0.9978314931941669
Energy: 1.0010134362432752
Energy: 0.9978314931941669
Energy: 0.8930306280144878
Energy: 0.8337066915894589
Energy: 0.8930306280144878
Energy: 0.8337066915894589
Energy: 0.8930306280144878
Energy: 0.8337066915894589
Energy: 0.7676090337107004
Energy: 0.8706703621066058
Energy: 0.7676090337107004
Energy: 0.8706703621066058
Energy: 0.7676090337107004
Energy: 0.8706703621066058

minimum gb energy = 0.7676090337107004 eV
minimum distance =  2.27952596411495 Angstroms
sigma value = 81


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

Energy: 0.20888431208629257
Energy: 0.2723443386615897
Energy: 0.04038853524682775
Energy: 0.2723443386615897
Energy: 0.20888431208629257
Energy: 0.2723443386615897
Energy: 1.029923121901912
Energy: 0.042716708059104935
Energy: 1.029923121901912
Energy: 0.04271670806096982
Energy: 1.029923121901912
Energy: 0.042716708059104935
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.04038853524682775
Energy: 0.2723443386615897
Energy: 0.04038853524682775
Energy: 0.2723443386615897
Energy: 0.04038853524682775
Energy: 0.2723443386615897
Energy: 1.029923121901912
Energy: 0.04271670806656448
Energy: 1.029923121901912
Energy: 0.04271670806656448
Energy: 1.029923121901912
Energy: 0.04271670806656448
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.20888431208629257
Energy: 0.2723443386615897
Energy: 0.04038853524682775
Energy: 0.2723443386615897
Energy: 0.20888431208629257
Energy: 0.2723443386615897
Energy: 1.029923121901912
Energy: 0.04271670808894315
Energy: 1.029923121901912
Energy: 0.04271670808707825
Energy: 1.029923121901912
Energy: 0.04271670808707825
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.9877648608094796
Energy: 0.04066475536891013
Energy: 0.04038853524682775
Energy: 0.2723443386615897
Energy: 0.04038853524682775
Energy: 0.2723443386615897
Energy: 0.04038853524682775
Energy: 0.2723443386615897

minimum gb energy = 0.04038853524682775 eV
minimum distance =  2.42284401467751 Angstroms
sigma value = 3


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

Energy: 0.9549529343030762
Energy: 0.7664358095874435
Energy: 0.9549529343030762
Energy: 0.7664358095874435
Energy: 0.9549529343030762
Energy: 0.7664358095874435
Energy: 0.868422861707578
Energy: 0.8076284125529953
Energy: 0.868422861707578
Energy: 0.8076284125535536
Energy: 0.868422861707578
Energy: 0.8076284125535536
Energy: 0.9683338751862003
Energy: 0.8083620366894135
Energy: 0.9683338751862003
Energy: 0.8083620366894135
Energy: 0.9683338751862003
Energy: 0.8083620366894135
Energy: 0.9372466559514182
Energy: 0.8485891524465684
Energy: 0.93724665595086
Energy: 0.8485891524465684
Energy: 0.9372466559514182
Energy: 0.8485891524465684
Energy: 0.8526184066904161
Energy: 0.8644150189685686
Energy: 0.8526184066904161
Energy: 0.8644150189685686
Energy: 0.8526184066904161
Energy: 0.8644150189685686
Energy: 0.9136842675591632
Energy: 0.9303360673189905
Energy: 0.9136842675591632
Energy: 0.9303360673189905
Energy: 0.9136842675591632
Energy: 0.9303360673189905
Energy: 0.9134852089932598
Energy: 0.861699200162768
Energy: 0.9134852089932598
Energy: 0.861699200162768
Energy: 0.9134852089932598
Energy: 0.861699200162768
Energy: 0.8445585116856107
Energy: 0.8651361439223827
Energy: 0.8445585116856107
Energy: 0.8651361439223827
Energy: 0.8445585116856107
Energy: 0.8651361439223827
Energy: 0.9290622263781433
Energy: 0.9170877908474364
Energy: 0.9290622263781433
Energy: 0.9170877908474364
Energy: 0.9290622263781433
Energy: 0.9170877908474364
Energy: 0.8449895248615341
Energy: 0.8110995284854304
Energy: 0.8449895248609762
Energy: 0.8110995284854304
Energy: 0.8449895248615341
Energy: 0.8110995284854304
Energy: 0.8622395837446787
Energy: 0.8657560681123179
Energy: 0.8622395837446787
Energy: 0.8657560681123179
Energy: 0.8622395837446787
Energy: 0.8657560681123179
Energy: 0.9410419300352232
Energy: 0.9403262645223679
Energy: 0.9410419300352232
Energy: 0.9403262645223679
Energy: 0.9410419300352232
Energy: 0.9403262645223679
Energy: 0.996073914749564
Energy: 0.8128319145458568
Energy: 0.996073914749564
Energy: 0.8128319145458568
Energy: 0.996073914749564
Energy: 0.8128319145458568
Energy: 0.8304810115726847
Energy: 0.9143405066229758
Energy: 0.8304810115726847
Energy: 0.9143405066229758
Energy: 0.8304810115726847
Energy: 0.9143405066229758
Energy: 0.9397399507291131
Energy: 0.9313857087388939
Energy: 0.9397399507291131
Energy: 0.9313857087388939
Energy: 0.9397399507291131
Energy: 0.9313857087388939
Energy: 0.9934673468563822
Energy: 0.8466189535220495
Energy: 0.9934673468563822
Energy: 0.8466189535220495
Energy: 0.9934673468563822
Energy: 0.8466189535220495
Energy: 0.9041930526806471
Energy: 0.8864806655513628
Energy: 0.9041930526806471
Energy: 0.8864806655513628
Energy: 0.9041930526806471
Energy: 0.8864806655513628
Energy: 0.9576583366643286
Energy: 0.8979772247877751
Energy: 0.9576583366643286
Energy: 0.8979772247877751
Energy: 0.9576583366643286
Energy: 0.8979772247877751
Energy: 0.959672534837902
Energy: 0.8959878601864366
Energy: 0.959672534837902
Energy: 0.8959878601864366
Energy: 0.959672534837902
Energy: 0.8959878601864366
Energy: 0.960325700411163
Energy: 0.9730358421416592
Energy: 0.960325700411163
Energy: 0.9730358421416592
Energy: 0.960325700411163
Energy: 0.9730358421416592
Energy: 0.8476385700414073
Energy: 0.8229186118792226
Energy: 0.8476385700414073
Energy: 0.8229186118792226
Energy: 0.8476385700414073
Energy: 0.8229186118792226
Energy: 0.8232530128227824
Energy: 0.8868251824449865
Energy: 0.8232530128227824
Energy: 0.8868251824449865
Energy: 0.82325301282055
Energy: 0.8868251824449865
Energy: 0.8933738319315865
Energy: 0.9719420017116791
Energy: 0.8933738319315865
Energy: 0.9719420017116791
Energy: 0.8933738319315865
Energy: 0.9719420017116791
Energy: 0.8776010822907926
Energy: 0.7897830489173217
Energy: 0.8776010822902344
Energy: 0.7897830489173217
Energy: 0.8776010822907926
Energy: 0.7897830489173217
Energy: 0.9424765961749612
Energy: 0.9067949388747247
Energy: 0.942476596175519
Energy: 0.9067949388741666
Energy: 0.9424765961749612
Energy: 0.9067949388747247
Energy: 0.8133429675341804
Energy: 0.9318458735930361
Energy: 0.8133429675341804
Energy: 0.931845873592478
Energy: 0.8133429675341804
Energy: 0.9318458735930361
Energy: 0.9463239261220152
Energy: 0.7567942213623193
Energy: 0.9463239261220152
Energy: 0.7567942213623193
Energy: 0.9463239261220152
Energy: 0.7567942213623193
Energy: 0.913361288867354
Energy: 0.9371239150425651
Energy: 0.9133612888667959
Energy: 0.9371239150425651
Energy: 0.9133612888667959
Energy: 0.9371239150425651
Energy: 0.7795720635330141
Energy: 0.8634963324735407
Energy: 0.7795720635330141
Energy: 0.8634963324735407
Energy: 0.7795720635330141
Energy: 0.8634963324735407
Energy: 0.9517090796795978
Energy: 0.8172158570739718
Energy: 0.9517090796795978
Energy: 0.8172158570739718
Energy: 0.9517090796795978
Energy: 0.8172158570739718
Energy: 0.9351113610970533
Energy: 0.9472378480693495
Energy: 0.9351113610970533
Energy: 0.9472378480693495
Energy: 0.9351113610970533
Energy: 0.9472378480693495
Energy: 0.8072526128337566
Energy: 0.8604185678259739
Energy: 0.8072526128337566
Energy: 0.8604185678259739
Energy: 0.8072526128337566
Energy: 0.8604185678259739
Energy: 0.8573861116182676
Energy: 0.8571269664295088
Energy: 0.8573861116182676
Energy: 0.8571269664295088
Energy: 0.8573861116182676
Energy: 0.8571269664295088

minimum gb energy = 0.7567942213623193 eV
minimum distance =  2.33224672720976 Angstroms
sigma value = 67


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

Energy: 1.1106730085359453
Energy: 0.9947679824659984
Energy: 1.1106730085359453
Energy: 0.9947679824659984
Energy: 1.1106730085359453
Energy: 0.9947679824659984
Energy: 1.0502017103465175
Energy: 1.000366310084899
Energy: 1.0502017103465175
Energy: 1.000366310084899
Energy: 1.0502017103465175
Energy: 1.000366310084899
Energy: 1.0607216633747922
Energy: 1.1205360987437707
Energy: 1.0607216633747922
Energy: 1.1205360987437707
Energy: 1.0607216633747922
Energy: 1.1205360987437707
Energy: 1.1265482121849506
Energy: 1.003892376372702
Energy: 1.1265482121849506
Energy: 1.003892376372702
Energy: 1.1265482121849506
Energy: 1.003892376372702
Energy: 1.0178389169415811
Energy: 1.0293767249366104
Energy: 1.017838916940786
Energy: 1.0293767249366104
Energy: 1.0178389169415811
Energy: 1.0293767249366104
Energy: 1.068577343980253
Energy: 1.1042002841496
Energy: 1.068577343980253
Energy: 1.1042002841496
Energy: 1.068577343980253
Energy: 1.1042002841496
Energy: 0.9706915117679704
Energy: 1.0127998355944696
Energy: 0.9706915117679704
Energy: 1.0127998355944696
Energy: 0.9706915117671755
Energy: 1.0127998355944696
Energy: 1.0933145854824833
Energy: 0.955525965203541
Energy: 1.0933145854816881
Energy: 0.9555259652027459
Energy: 1.0933145854824833
Energy: 0.9555259652027459
Energy: 1.0982537838271857
Energy: 1.146308335555732
Energy: 1.0982537838271857
Energy: 1.146308335555732
Energy: 1.0982537838271857
Energy: 1.146308335555732
Energy: 0.9326213474190248
Energy: 1.0208186854541574
Energy: 0.9326213474190248
Energy: 1.0208186854541574
Energy: 0.9326213474190248
Energy: 1.0208186854541574
Energy: 1.100400970856401
Energy: 1.0377842100101582
Energy: 1.1004009708571965
Energy: 1.0377842100101582
Energy: 1.100400970856401
Energy: 1.0377842100101582
Energy: 0.9806283590369446
Energy: 1.1104607852962252
Energy: 0.9806283590369446
Energy: 1.1104607852962252
Energy: 0.9806283590369446
Energy: 1.1104607852962252
Energy: 0.9788047167390385
Energy: 1.0601683988856143
Energy: 0.9788047167382431
Energy: 1.0601683988856143
Energy: 0.9788047167390385
Energy: 1.0601683988856143
Energy: 0.9819109816811606
Energy: 1.0110322574666477
Energy: 0.9819109816819559
Energy: 1.0110322574666477
Energy: 0.9819109816811606
Energy: 1.0110322574666477
Energy: 0.9817444882920866
Energy: 0.9762356156304142
Energy: 0.9817444882920866
Energy: 0.9762356156304142
Energy: 0.9817444882920866
Energy: 0.9762356156304142
Energy: 1.014515002326204
Energy: 1.0707138733755521
Energy: 1.014515002326204
Energy: 1.0707138733755521
Energy: 1.014515002326204
Energy: 1.0707138733763473
Energy: 1.0332069710557736
Energy: 1.0087386428653937
Energy: 1.0332069710557736
Energy: 1.0087386428653937
Energy: 1.0332069710557736
Energy: 1.0087386428653937
Energy: 1.0838947985652387
Energy: 0.9550367014482165
Energy: 1.0838947985652387
Energy: 0.9550367014482165
Energy: 1.0838947985652387
Energy: 0.9550367014482165
Energy: 1.0449289247792304
Energy: 1.1479010382368895
Energy: 1.0449289247792304
Energy: 1.1479010382368895
Energy: 1.0449289247792304
Energy: 1.1479010382368895
Energy: 1.0462209730721799
Energy: 0.9573443242489039
Energy: 1.0462209730721799
Energy: 0.9573443242489039
Energy: 1.0462209730721799
Energy: 0.9573443242489039
Energy: 1.1213189957810874
Energy: 0.9779966962978022
Energy: 1.1213189957810874
Energy: 0.9779966962978022
Energy: 1.1213189957810874
Energy: 0.9779966962978022
Energy: 1.1389245929485579
Energy: 1.1604982951417802
Energy: 1.1389245929485579
Energy: 1.1604982951417802
Energy: 1.1389245929485579
Energy: 1.1604982951417802
Energy: 0.9588167794671962
Energy: 0.9509458791467117
Energy: 0.9588167794671962
Energy: 0.9509458791467117
Energy: 0.9588167794671962
Energy: 0.9509458791467117

minimum gb energy = 0.9326213474190248 eV
minimum distance =  2.3669215263441 Angstroms
sigma value = 33


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

Energy: 1.2474648671218975
Energy: 1.0821692361915067
Energy: 1.2203024797479196
Energy: 1.0821692361915067
Energy: 1.2474648671218975
Energy: 1.0821692361915067
Energy: 1.1603365788855897
Energy: 1.1305408083312458
Energy: 1.1603365788850852
Energy: 1.1305408083312458
Energy: 1.1603365788855897
Energy: 1.1305408083312458
Energy: 1.1958728076884915
Energy: 1.118192883552876
Energy: 1.1958728076884915
Energy: 1.118192883552876
Energy: 1.1958728076884915
Energy: 1.118192883552876
Energy: 1.2635192586903807
Energy: 1.1104492336045977
Energy: 1.2635192586903807
Energy: 1.1104492336045977
Energy: 1.2635192586903807
Energy: 1.1104492336045977
Energy: 1.1842528123939569
Energy: 1.1061845351472561
Energy: 1.1842528123939569
Energy: 1.1061845351472561
Energy: 1.1842528123939569
Energy: 1.1061845351472561
Energy: 1.3205308412775612
Energy: 1.2212837348771466
Energy: 1.3205308412775612
Energy: 1.2577598159973582
Energy: 1.3205308412775612
Energy: 1.2212837348771466
Energy: 1.15914872727409
Energy: 1.1537733953151714
Energy: 1.15914872727409
Energy: 1.1537733953151714
Energy: 1.15914872727409
Energy: 1.1537733953151714
Energy: 1.1508665819179558
Energy: 1.1846781341071093
Energy: 1.1508665819179558
Energy: 1.1846781341071093
Energy: 1.1508665819179558
Energy: 1.1846781341066048
Energy: 1.1208505599157137
Energy: 1.258434231702237
Energy: 1.1208501324884996
Energy: 1.258434231702237
Energy: 1.1208505599157137
Energy: 1.258434231702237
Energy: 1.1541305729605649
Energy: 1.237355140505189
Energy: 1.1541305729600602
Energy: 1.237355140505189
Energy: 1.1541305729605649
Energy: 1.2375244868839947
Energy: 1.2024866991198317
Energy: 1.1935690868017934
Energy: 1.2024865886581657
Energy: 1.1935690868017934
Energy: 1.2024866991203362
Energy: 1.1935690868017934
Energy: 1.0656350747032266
Energy: 1.122029501001907
Energy: 1.0656350747032266
Energy: 1.1220295010014025
Energy: 1.0656350747032266
Energy: 1.1220295010014025
Energy: 1.1771724167272852
Energy: 1.1482693410558287
Energy: 1.1771724167272852
Energy: 1.1482693410558287
Energy: 1.1771724167272852
Energy: 1.1482693410558287
Energy: 1.1883741441089732
Energy: 1.1534525393699528
Energy: 1.1883741441084688
Energy: 1.1534525393699528
Energy: 1.1883741441089732
Energy: 1.1534525393699528
Energy: 1.1062466476128516
Energy: 1.123775281750543
Energy: 1.1062466476133561
Energy: 1.123775281750543
Energy: 1.1062466476128516
Energy: 1.123775281750543
Energy: 1.261383916325574
Energy: 1.2396980115942722
Energy: 1.261383916325574
Energy: 1.2396980115942722
Energy: 1.261383916325574
Energy: 1.2396980115942722
Energy: 1.1794079728941302
Energy: 1.1309006305873244
Energy: 1.179407972894635
Energy: 1.1309006305873244
Energy: 1.1794079728941302
Energy: 1.1309006305873244
Energy: 1.267799311170084
Energy: 1.2566396936212434
Energy: 1.2677993111705887
Energy: 1.2566396936212434
Energy: 1.267799311170084
Energy: 1.2566396936212434
Energy: 1.0677639797115588
Energy: 1.2850308387528446
Energy: 1.0677639797110543
Energy: 1.2850308387528446
Energy: 1.0677639797115588
Energy: 1.2850308387528446
Energy: 1.1520713988156746
Energy: 1.0958318154135689
Energy: 1.1520713988156746
Energy: 1.0958318154135689
Energy: 1.1520713988156746
Energy: 1.0958318154135689
Energy: 1.264414416382427
Energy: 1.2768034080391
Energy: 1.2643512592093784
Energy: 1.2768034080391
Energy: 1.264414416382427
Energy: 1.2768034080391
Energy: 1.2063140425563443
Energy: 1.0831360219960686
Energy: 1.2063140425563443
Energy: 1.0831360219960686
Energy: 1.2063140425563443
Energy: 1.0831360219960686
Energy: 1.1754344923193947
Energy: 1.1935479397525237
Energy: 1.1069718929292192
Energy: 1.1935479397525237
Energy: 1.1754344923193947
Energy: 1.1935479397525237
Energy: 1.2034079688269679
Energy: 1.1881611049929037
Energy: 1.1766137103294125
Energy: 1.1881611049929037
Energy: 1.2034079688269679
Energy: 1.1881611049929037
Energy: 1.0915349578735842
Energy: 1.1232642504834358
Energy: 1.0680472836054264
Energy: 1.1232642504834358
Energy: 1.0915349578740885
Energy: 1.1232642504834358
Energy: 1.196426429347116
Energy: 1.1994587988341476
Energy: 1.196426429347116
Energy: 1.1994587988341476
Energy: 1.196426429347116
Energy: 1.1994587988341476
Energy: 1.1155895514424505
Energy: 1.1682798344232197
Energy: 1.1155895514424505
Energy: 1.1682798344232197
Energy: 1.1155895514424505
Energy: 1.1682798344232197
Energy: 1.2830585394375575
Energy: 1.3110213810358975
Energy: 1.2830585394375575
Energy: 1.311021381035393
Energy: 1.2830585394375575
Energy: 1.3110213810358975
Energy: 1.1731458442878129
Energy: 1.1374235054520039
Energy: 1.1731458442878129
Energy: 1.1374235054520039
Energy: 1.1731458442878129
Energy: 1.1374235054520039
Energy: 1.0654111307531458
Energy: 1.1402307858327658
Energy: 1.0654111307536274
Energy: 1.1402307858327658
Energy: 1.0654111307526415
Energy: 1.1402307858327658
Energy: 1.3108564779344802
Energy: 1.2651683772062725
Energy: 1.3108564779344802
Energy: 1.2651683772062725
Energy: 1.3108564779344802
Energy: 1.2651683772062725
Energy: 1.1812844812772874
Energy: 1.0959278675763038
Energy: 1.181283673115052
Energy: 1.0959278675763038
Energy: 1.1812844812772874
Energy: 1.0959278675763038
Energy: 1.1829972516736627
Energy: 1.256496475052785
Energy: 1.182997748918593
Energy: 1.256496475052785
Energy: 1.1829972516731582
Energy: 1.256496475052785
Energy: 1.1519005038487833
Energy: 1.1309084171367225
Energy: 1.1519005038492878
Energy: 1.1309084171367225
Energy: 1.1519005038492878
Energy: 1.1309084171367225
Energy: 1.125384914584719
Energy: 1.1184631526851039
Energy: 1.1253849145852235
Energy: 1.1184631526851039
Energy: 1.1253849145852235
Energy: 1.1184631526851039
Energy: 1.1812573859764888
Energy: 1.0846212905468715
Energy: 1.1812573859764888
Energy: 1.0846212905468715
Energy: 1.1812573859764888
Energy: 1.0846212905473762
Energy: 1.0942679364167895
Energy: 1.1320070585969533
Energy: 1.0942679364167895
Energy: 1.1320070585969533
Energy: 1.0942679364167895
Energy: 1.1320070585969533

minimum gb energy = 1.0654111307526415 eV
minimum distance =  2.23089113857354 Angstroms
sigma value = 41


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

Energy: 1.334199941670979
Energy: 1.235582140951137
Energy: 1.334199941670979
Energy: 1.235582140951137
Energy: 1.334199941670979
Energy: 1.235582140951137
Energy: 1.1965092990548916
Energy: 1.3225262103578521
Energy: 1.1965092990548916
Energy: 1.3225262103578521
Energy: 1.1965092990548916
Energy: 1.3225262103578521
Energy: 1.4608602393105303
Energy: 1.330824448690387
Energy: 1.4608602393105303
Energy: 1.330824448690387
Energy: 1.4693826978442417
Energy: 1.330824448690387
Energy: 1.297806000637278
Energy: 1.3546681767206814
Energy: 1.297806000637278
Energy: 1.3546681767206814
Energy: 1.297806000637278
Energy: 1.3546681767206814
Energy: 1.3403911413766139
Energy: 1.2676264088666334
Energy: 1.3403911413766139
Energy: 1.2676264088666334
Energy: 1.3403911413766139
Energy: 1.2676264088666334
Energy: 1.4376304477051816
Energy: 1.3906272363516852
Energy: 1.4376304477051816
Energy: 1.3906272363516852
Energy: 1.4376304477051816
Energy: 1.3906272363516852
Energy: 1.3404507021955643
Energy: 1.34289413287788
Energy: 1.3404507021955643
Energy: 1.3428941328792576
Energy: 1.3404507021955643
Energy: 1.3428941328792576
Energy: 1.290839731076836
Energy: 1.3073660707603303
Energy: 1.290839731076836
Energy: 1.3073660707603303
Energy: 1.290839731076836
Energy: 1.3073660707603303
Energy: 1.1962896333402957
Energy: 1.206477105119775
Energy: 1.1962896333402957
Energy: 1.206477105119775
Energy: 1.1962896333402957
Energy: 1.206477105119775
Energy: 1.3336723282126344
Energy: 1.2789631946554478
Energy: 1.3336723282126344
Energy: 1.2789631946554478
Energy: 1.3336723282126344
Energy: 1.2789631946554478
Energy: 1.1961078913360532
Energy: 1.3302954119322035
Energy: 1.1961078913360532
Energy: 1.3302954119322035
Energy: 1.1961078913360532
Energy: 1.3302954119322035
Energy: 1.2798002377988553
Energy: 1.3222332640877448
Energy: 1.2798002377988553
Energy: 1.3222332640877448
Energy: 1.2798002377988553
Energy: 1.3222332640877448
Energy: 1.3214763651180945
Energy: 1.3536787128881773
Energy: 1.3214763651180945
Energy: 1.3536787128881773
Energy: 1.3214763651180945
Energy: 1.3536787128881773
Energy: 1.3406800110689507
Energy: 1.3203061465294024
Energy: 1.3406800110689507
Energy: 1.3203061465294024
Energy: 1.3406800110689507
Energy: 1.3203061465294024

minimum gb energy = 1.1961078913360532 eV
minimum distance =  2.26479054645713 Angstroms
sigma value = 11


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

Energy: 1.4873858833943019
Energy: 1.47468552405411
Energy: 1.4873858833943019
Energy: 1.47468552405411
Energy: 1.4873858833943019
Energy: 1.47468552405411
Energy: 1.3582250871151327
Energy: 1.4399443028683865
Energy: 1.3582250871151327
Energy: 1.4399443028683865
Energy: 1.3582250871151327
Energy: 1.4399443028683865
Energy: 1.4509578753664623
Energy: 1.3977641048960954
Energy: 1.4914049083375838
Energy: 1.3977641048960954
Energy: 1.4509578753664623
Energy: 1.3977641048960954
Energy: 1.4187508270856677
Energy: 1.3535770620004048
Energy: 1.4187508270856677
Energy: 1.3535770620004048
Energy: 1.4187508270856677
Energy: 1.3535770620004048
Energy: 1.4649804387691316
Energy: 1.3771476368181488
Energy: 1.4649804387691316
Energy: 1.3771476368181488
Energy: 1.4649804387691316
Energy: 1.3771476368181488
Energy: 1.3803766415550958
Energy: 1.4228521127509497
Energy: 1.3803766415550958
Energy: 1.4228521127509497
Energy: 1.3803766415550958
Energy: 1.4228521127509497
Energy: 1.3899716637969832
Energy: 1.422183979724694
Energy: 1.3899716637969832
Energy: 1.422183979724694
Energy: 1.3899716637969832
Energy: 1.422183979724694
Energy: 1.3799670793132381
Energy: 1.3859605530218966
Energy: 1.3799670793132381
Energy: 1.3859605530218966
Energy: 1.3799670793132381
Energy: 1.3859605530218966
Energy: 1.3928730695922598
Energy: 1.4050663801717875
Energy: 1.3928730695922598
Energy: 1.4050663801717875
Energy: 1.3928730695922598
Energy: 1.4050663801717875
Energy: 1.370471672785267
Energy: 1.4507220976590005
Energy: 1.370471672785267
Energy: 1.4507220976590005
Energy: 1.370471672785267
Energy: 1.4507220976590005
Energy: 1.3893098409455016
Energy: 1.4182763663172835
Energy: 1.3893098409455016
Energy: 1.4182763663172835
Energy: 1.3893098409455016
Energy: 1.4182763663172835
Energy: 1.4131617223485393
Energy: 1.444362590428152
Energy: 1.4131617223485393
Energy: 1.444362590428152
Energy: 1.4131617223485393
Energy: 1.444362590428152
Energy: 1.4016611889950454
Energy: 1.4247411066901294
Energy: 1.4016611889950454
Energy: 1.4247411066901294
Energy: 1.4016611889950454
Energy: 1.4247411066901294
Energy: 1.3897650392465302
Energy: 1.3970640275200954
Energy: 1.3897650392465302
Energy: 1.3970640275200954
Energy: 1.3897650392465302
Energy: 1.3970640275200954
Energy: 1.3309548620953229
Energy: 1.3475219074694074
Energy: 1.330954862094718
Energy: 1.3475219074694074
Energy: 1.330954862094718
Energy: 1.3475219074694074
Energy: 1.3877500581657158
Energy: 1.4222071723839151
Energy: 1.3877500581657158
Energy: 1.4222071723839151
Energy: 1.387750058165111
Energy: 1.4222071723839151
Energy: 1.3341474410610525
Energy: 1.4414810515492689
Energy: 1.3341474410610525
Energy: 1.4414810515492689
Energy: 1.3341474410610525
Energy: 1.4414810515492689
Energy: 1.435046811321233
Energy: 1.465489540769027
Energy: 1.435046811321233
Energy: 1.465489540769027
Energy: 1.435046811321233
Energy: 1.465489540769027
Energy: 1.3612549370897105
Energy: 1.3361110528436437
Energy: 1.3612549370897105
Energy: 1.3361110528436437
Energy: 1.3612549370897105
Energy: 1.3361110528436437
Energy: 1.4230671002049933
Energy: 1.3818545525305868
Energy: 1.4230671002049933
Energy: 1.3818545525305868
Energy: 1.4230671002049933
Energy: 1.3818545525305868
Energy: 1.3672857642725111
Energy: 1.3309912986481407
Energy: 1.3672857642725111
Energy: 1.3309912986475356
Energy: 1.3672857642725111
Energy: 1.3309912986481407
Energy: 1.4610819482741708
Energy: 1.4749507530607873
Energy: 1.4610819482741708
Energy: 1.4749507530613923
Energy: 1.4610819482741708
Energy: 1.4749507530613923
Energy: 1.4405279641358397
Energy: 1.3980127096324488
Energy: 1.4405279641358397
Energy: 1.398012709631844
Energy: 1.4405279641358397
Energy: 1.3980127096324488
Energy: 1.4667664841917922
Energy: 1.4414367993614825
Energy: 1.4667664841917922
Energy: 1.4414367993614825
Energy: 1.4667664841917922
Energy: 1.4414367993614825
Energy: 1.374661866936241
Energy: 1.4122959910402673
Energy: 1.374661866936241
Energy: 1.4122959910396622
Energy: 1.374661866936241
Energy: 1.4122959910396622
Energy: 1.3719465361222662
Energy: 1.4041646963677954
Energy: 1.3719465361222662
Energy: 1.4041646963677954
Energy: 1.3719465361228713
Energy: 1.4041646963677954
Energy: 1.3675311663377694
Energy: 1.4165050846783
Energy: 1.3675311663377694
Energy: 1.4165050846783
Energy: 1.3675311663377694
Energy: 1.4165050846783
Energy: 1.4045189456878184
Energy: 1.329145545507828
Energy: 1.4045189456872134
Energy: 1.329145545507828
Energy: 1.4045189456878184
Energy: 1.329145545507828
Energy: 1.3915545155011784
Energy: 1.4421975970143297
Energy: 1.3915545155011784
Energy: 1.4421975970143297
Energy: 1.3915545155011784
Energy: 1.4421975970143297
Energy: 1.3308779680474057
Energy: 1.3611248760531636
Energy: 1.3308779680474057
Energy: 1.3611248760531636
Energy: 1.3308779680474057
Energy: 1.3611248760537684
Energy: 1.3725009008618911
Energy: 1.4786921837250604
Energy: 1.372500900861286
Energy: 1.4786921837250604
Energy: 1.372500900861286
Energy: 1.4786921837250604

minimum gb energy = 1.329145545507828 eV
minimum distance =  2.24837891807601 Angstroms
sigma value = 57


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

Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.4241692270406727
Energy: 1.3483358223258048
Energy: 1.4241692270395958
Energy: 1.3483358223258048
Energy: 1.4241692270395958
Energy: 1.3483358223258048
Energy: 1.2938446497636498
Energy: 1.3240648199240503
Energy: 1.2938446497636498
Energy: 1.3240648199251268
Energy: 1.2938446497636498
Energy: 1.3240648199251268
Energy: 1.4483646525780152
Energy: 1.3483053559480997
Energy: 1.4483646525780152
Energy: 1.3483053559480997
Energy: 1.4483646525780152
Energy: 1.3483053559480997
Energy: 1.411711806899196
Energy: 1.376327381489926
Energy: 1.411711806899196
Energy: 1.376327381489926
Energy: 1.411711806899196
Energy: 1.2678320760138675
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.4241692270406727
Energy: 1.3483358223258048
Energy: 1.4241692270406727
Energy: 1.3483358223258048
Energy: 1.4241692270406727
Energy: 1.3483358223258048
Energy: 1.2938446497636498
Energy: 1.5541687324452869
Energy: 1.2938446497636498
Energy: 1.5541687324452869
Energy: 1.2938446497625729
Energy: 1.5541687324452869
Energy: 1.4483646525780152
Energy: 1.3483053559480997
Energy: 1.4483646525780152
Energy: 1.3483053559480997
Energy: 1.4483646525780152
Energy: 1.3483053559470233
Energy: 1.411711806899196
Energy: 1.267832076014944
Energy: 1.411711806899196
Energy: 1.267832076014944
Energy: 1.411711806899196
Energy: 1.2678320760138675
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.2742310977469362
Energy: 1.2325892876720599
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.411695225482578
Energy: 1.4847457969462414
Energy: 1.4241692270395958
Energy: 1.3483358223258048
Energy: 1.4241692270395958
Energy: 1.3483358223258048
Energy: 1.4241692270395958
Energy: 1.3483358223258048
Energy: 1.2938446497636498
Energy: 1.5541687324452869
Energy: 1.2938446497636498
Energy: 1.5541687324452869
Energy: 1.2938446497636498
Energy: 1.5541687324452869
Energy: 1.4483646525780152
Energy: 1.3483053559480997
Energy: 1.4483646525780152
Energy: 1.3483053559480997
Energy: 1.4483646525780152
Energy: 1.3483053559480997

minimum gb energy = 1.2325892876720599 eV
minimum distance =  2.30856560534861 Angstroms
sigma value = 9


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

Energy: 1.4233623216139422
Energy: 1.532520227393381
Energy: 1.4233623216139422
Energy: 1.532520227393381
Energy: 1.4233623216139422
Energy: 1.532520227393381
Energy: 1.4779379574669218
Energy: 1.4206415000750177
Energy: 1.4779379574669218
Energy: 1.4206415000750177
Energy: 1.4779379574669218
Energy: 1.4206415000750177
Energy: 1.4749123926715613
Energy: 1.4287794274585304
Energy: 1.4749123926715613
Energy: 1.4287794274585304
Energy: 1.4749123926715613
Energy: 1.4287794274585304
Energy: 1.4177315201074876
Energy: 1.5208627933421173
Energy: 1.4177315201074876
Energy: 1.5208627933429963
Energy: 1.4177315201074876
Energy: 1.5208627933429963
Energy: 1.4127317101415893
Energy: 1.414095157427637
Energy: 1.4127317101415893
Energy: 1.414095157427637
Energy: 1.4127317101415893
Energy: 1.414095157427637
Energy: 1.4417679874797824
Energy: 1.4138848074951862
Energy: 1.4417679874797824
Energy: 1.4138848074951862
Energy: 1.4417679874797824
Energy: 1.4138848074951862
Energy: 1.4006423233463203
Energy: 1.4388049609727298
Energy: 1.4006423233463203
Energy: 1.4388049609727298
Energy: 1.4006423233463203
Energy: 1.4388049609727298
Energy: 1.4199186255228975
Energy: 1.5232993389181404
Energy: 1.4199186255228975
Energy: 1.5232993389181404
Energy: 1.4199186255220184
Energy: 1.5232993389181404
Energy: 1.553754849824763
Energy: 1.4369622211969237
Energy: 1.553754849824763
Energy: 1.4369622211969237
Energy: 1.553754849824763
Energy: 1.4369622211969237
Energy: 1.3938066011100971
Energy: 1.43298627565485
Energy: 1.3938066011100971
Energy: 1.43298627565485
Energy: 1.3938066011100971
Energy: 1.43298627565485
Energy: 1.485982156839327
Energy: 1.4472599237624681
Energy: 1.485982156839327
Energy: 1.4472599237624681
Energy: 1.485982156839327
Energy: 1.4472599237624681
Energy: 1.4768801457658915
Energy: 1.4080165509063867
Energy: 1.4768801457658915
Energy: 1.4080165509063867
Energy: 1.4768801457658915
Energy: 1.408016550907266
Energy: 1.4192009158907843
Energy: 1.496555561576941
Energy: 1.4192009158907843
Energy: 1.496555561576941
Energy: 1.4192009158907843
Energy: 1.496555561576941
Energy: 1.5268342000537265
Energy: 1.4457615009632323
Energy: 1.5268342000537265
Energy: 1.4457615009632323
Energy: 1.5268342000537265
Energy: 1.4457615009632323
Energy: 1.4831992620166385
Energy: 1.4312167868428152
Energy: 1.4831992620166385
Energy: 1.4312167868436942
Energy: 1.4831992620166385
Energy: 1.4312167868428152
Energy: 1.4236415041972084
Energy: 1.4154417514945505
Energy: 1.4236415041972084
Energy: 1.4154417514945505
Energy: 1.4236415041972084
Energy: 1.4154417514945505
Energy: 1.4289641291501405
Energy: 1.406868226360426
Energy: 1.4289641291501405
Energy: 1.406868226360426
Energy: 1.4289641291501405
Energy: 1.406868226360426
Energy: 1.6021522306652016
Energy: 1.4291508250006115
Energy: 1.6021522306652016
Energy: 1.4291508250006115
Energy: 1.6021522306652016
Energy: 1.4291508250006115
Energy: 1.4192998416306193
Energy: 1.4416323903302797
Energy: 1.4192998416306193
Energy: 1.4416323903302797
Energy: 1.4192998416306193
Energy: 1.4416323903294006
Energy: 1.466717069861746
Energy: 1.4856280438013585
Energy: 1.466717069861746
Energy: 1.4856280438013585
Energy: 1.466717069861746
Energy: 1.4856280438013585
Energy: 1.469544967530998
Energy: 1.4005260008706393
Energy: 1.469544967530998
Energy: 1.4005260008706393
Energy: 1.469544967530998
Energy: 1.4005260008706393

minimum gb energy = 1.3938066011100971 eV
minimum distance =  2.28606509267775 Angstroms
sigma value = 27


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

Energy: 1.5156436145541639
Energy: 1.5211121567088908
Energy: 1.5156436145541639
Energy: 1.5211121567088908
Energy: 1.5156436145541639
Energy: 1.5211121567088908
Energy: 1.4427561688585762
Energy: 1.4250293334371635
Energy: 1.4427561688585762
Energy: 1.4250293334371635
Energy: 1.4427561688585762
Energy: 1.4250293334371635
Energy: 1.4427106540956167
Energy: 1.3393202712458683
Energy: 1.4427106540956167
Energy: 1.3393202712458683
Energy: 1.4427106540956167
Energy: 1.3393202712458683
Energy: 1.4240216721987853
Energy: 1.4577460502170465
Energy: 1.4240216721987853
Energy: 1.4577460502170465
Energy: 1.4240216721987853
Energy: 1.4577460502170465
Energy: 1.4059842183977749
Energy: 1.431265314552225
Energy: 1.4059842183970337
Energy: 1.431265314552225
Energy: 1.4059842183977749
Energy: 1.431265314552225
Energy: 1.4438350497920043
Energy: 1.4412407244523486
Energy: 1.4438350497912633
Energy: 1.4412407244523486
Energy: 1.4438350497912633
Energy: 1.4412407244523486
Energy: 1.3359585519363613
Energy: 1.444632472089547
Energy: 1.3359585519363613
Energy: 1.444632472089547
Energy: 1.3359585519363613
Energy: 1.444632472089547
Energy: 1.3484919654044463
Energy: 1.441472890728838
Energy: 1.3484919654044463
Energy: 1.441472890728838
Energy: 1.3484919654044463
Energy: 1.4414728907280971
Energy: 1.4022736061783212
Energy: 1.4217059308146835
Energy: 1.4022736061783212
Energy: 1.4217059308146835
Energy: 1.4022736061783212
Energy: 1.4217059308146835
Energy: 1.534871287503407
Energy: 1.5031204061090286
Energy: 1.534871287503407
Energy: 1.5031204061090286
Energy: 1.534871287503407
Energy: 1.5031204061090286
Energy: 1.7504614976868027
Energy: 1.4721713585965757
Energy: 1.7504614976868027
Energy: 1.4721713585965757
Energy: 1.7504614976868027
Energy: 1.4721713585965757
Energy: 1.445129074106043
Energy: 1.3372683723990233
Energy: 1.445129074106043
Energy: 1.3372683723990233
Energy: 1.445129074106043
Energy: 1.3372683723990233
Energy: 1.414797979120392
Energy: 1.459126331844606
Energy: 1.414797979120392
Energy: 1.459126331844606
Energy: 1.414797979120392
Energy: 1.459126331844606
Energy: 1.3328098375324309
Energy: 1.4140892949524118
Energy: 1.3328098375324309
Energy: 1.4140892949524118
Energy: 1.3328098375331718
Energy: 1.4140892949524118
Energy: 1.4454543054511066
Energy: 1.5366527574925468
Energy: 1.4454543054511066
Energy: 1.5366527574925468
Energy: 1.4454543054511066
Energy: 1.5366527574925468
Energy: 1.4580507693159712
Energy: 1.484041742098836
Energy: 1.4580507693159712
Energy: 1.484041742098836
Energy: 1.4580507693159712
Energy: 1.484041742098836
Energy: 1.3415685993170636
Energy: 1.4561688593238309
Energy: 1.3415685993170636
Energy: 1.4561688593238309
Energy: 1.3415685993170636
Energy: 1.4561688593238309
Energy: 1.4537173385772506
Energy: 1.3464722530997904
Energy: 1.4537173385772506
Energy: 1.3464722530997904
Energy: 1.4537173385772506
Energy: 1.3464722530997904
Energy: 1.3290228108949136
Energy: 1.334971617290424
Energy: 1.3290228108949136
Energy: 1.3349716172896828
Energy: 1.3290228108949136
Energy: 1.3349716172896828
Energy: 1.515643614553423
Energy: 1.5211121567088908
Energy: 1.5156436145541639
Energy: 1.5211121567088908
Energy: 1.5156436145541639
Energy: 1.5211121567088908
Energy: 1.442756168857835
Energy: 1.4250293334371635
Energy: 1.442756168857835
Energy: 1.4250293334371635
Energy: 1.442756168857835
Energy: 1.4250293334371635
Energy: 1.4427106540956167
Energy: 1.3393202712458683
Energy: 1.4427106540956167
Energy: 1.3393202712458683
Energy: 1.4427106540956167
Energy: 1.3393202712458683
Energy: 1.4240216721987853
Energy: 1.4577460502170465
Energy: 1.4240216721987853
Energy: 1.4577460502170465
Energy: 1.4240216721987853
Energy: 1.4577460502170465
Energy: 1.4059842183977749
Energy: 1.431265314552225
Energy: 1.4059842183977749
Energy: 1.431265314552225
Energy: 1.4059842183977749
Energy: 1.431265314552225
Energy: 1.4438350497920043
Energy: 1.4412407244523486
Energy: 1.4438350497912633
Energy: 1.4412407244523486
Energy: 1.4438350497920043
Energy: 1.4412407244523486

minimum gb energy = 1.3290228108949136 eV
minimum distance =  2.28280626755944 Angstroms
sigma value = 19


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

Energy: 1.3452034936504829
Energy: 1.5056486173178076
Energy: 1.3452034936504829
Energy: 1.5056486173178076
Energy: 1.3452034936504829
Energy: 1.5056486173178076
Energy: 1.4334470485368687
Energy: 1.3940651846215364
Energy: 1.4334470485368687
Energy: 1.3940651846215364
Energy: 1.4334470485368687
Energy: 1.3940651846215364
Energy: 1.5197528500944826
Energy: 1.3019530407583386
Energy: 1.5197528500944826
Energy: 1.3019530407583386
Energy: 1.5197528500944826
Energy: 1.3019530407583386
Energy: 1.3024357503143396
Energy: 1.473855484256365
Energy: 1.3024357503136998
Energy: 1.473855484256365
Energy: 1.3024357503143396
Energy: 1.473855484256365
Energy: 1.3756993982580596
Energy: 1.4278500716247333
Energy: 1.3756993982580596
Energy: 1.4278500716247333
Energy: 1.3756993982580596
Energy: 1.4278500716247333
Energy: 1.3902743356854794
Energy: 1.3062961627759846
Energy: 1.3902743356854794
Energy: 1.3062961627759846
Energy: 1.3902743356854794
Energy: 1.3062961627759846
Energy: 1.320770028409412
Energy: 1.5480297020812377
Energy: 1.320770028409412
Energy: 1.5480297020812377
Energy: 1.320770028409412
Energy: 1.5480297020812377
Energy: 1.3326930198974676
Energy: 1.5153293096298328
Energy: 1.3326930198974676
Energy: 1.5153293096298328
Energy: 1.3326930198974676
Energy: 1.5153293096298328
Energy: 1.4898123676812904
Energy: 1.2797180580602594
Energy: 1.4898123676819301
Energy: 1.2797180580602594
Energy: 1.4898123676819301
Energy: 1.2797180580602594
Energy: 1.3980754362511119
Energy: 1.3898885140092523
Energy: 1.3980754362511119
Energy: 1.3898885140092523
Energy: 1.3980754362511119
Energy: 1.3898885140092523
Energy: 1.2831290484409996
Energy: 1.5100103187147604
Energy: 1.2831290484409996
Energy: 1.5100103187147604
Energy: 1.2831290484409996
Energy: 1.5100103187147604
Energy: 1.5017439955472816
Energy: 1.30664775202012
Energy: 1.5017439955472816
Energy: 1.30664775202012
Energy: 1.5017439955472816
Energy: 1.30664775202012
Energy: 1.4482967661651724
Energy: 1.3483195558523773
Energy: 1.4482967661651724
Energy: 1.3483195558523773
Energy: 1.4482967661651724
Energy: 1.3483195558523773
Energy: 1.3021090962995578
Energy: 1.4085172333540446
Energy: 1.3021090962995578
Energy: 1.4085172333540446
Energy: 1.3021090962995578
Energy: 1.4085172333540446
Energy: 1.4439483172616754
Energy: 1.2799426033839243
Energy: 1.4439483172616754
Energy: 1.2799426033839243
Energy: 1.4439483172616754
Energy: 1.2799426033839243
Energy: 1.5141729561405726
Energy: 1.280760426634507
Energy: 1.5141729561405726
Energy: 1.280760426634507
Energy: 1.5141729561405726
Energy: 1.280760426634507
Energy: 1.317904261484522
Energy: 1.4796863319920657
Energy: 1.317904261484522
Energy: 1.4796863319920657
Energy: 1.317904261484522
Energy: 1.4796863319920657
Energy: 1.4471766870203668
Energy: 1.4957050157844083
Energy: 1.4471766870203668
Energy: 1.4957050157844083
Energy: 1.4471766870203668
Energy: 1.4957050157844083
Energy: 1.4810639181004313
Energy: 1.3040718447258912
Energy: 1.4810639181004313
Energy: 1.3040718447258912
Energy: 1.4495149506053013
Energy: 1.3040718447258912
Energy: 1.3078347952618867
Energy: 1.4530110234352875
Energy: 1.3078347952618867
Energy: 1.4530110234352875
Energy: 1.3078347952618867
Energy: 1.4530110234352875
Energy: 1.283029551931241
Energy: 1.5171860599409
Energy: 1.283029551931241
Energy: 1.5171860599409
Energy: 1.283029551931241
Energy: 1.5171860599409
Energy: 1.4904462685836761
Energy: 1.3020126303590411
Energy: 1.4904462685836761
Energy: 1.3020126303590411
Energy: 1.4904462685836761
Energy: 1.3020126303590411
Energy: 1.3968916077980644
Energy: 1.4358712298848928
Energy: 1.3968916077980644
Energy: 1.4358712298848928
Energy: 1.3968916077980644
Energy: 1.4358712298848928
Energy: 1.347523778916096
Energy: 1.4941347015598805
Energy: 1.3475237789154568
Energy: 1.4941347015598805
Energy: 1.3475237789154568
Energy: 1.4941347015598805
Energy: 1.4435567834062344
Energy: 1.3014581724891066
Energy: 1.4435567834062344
Energy: 1.3014581724891066
Energy: 1.4435567834062344
Energy: 1.3014581724891066
Energy: 1.4726647813048168
Energy: 1.3254569130886718
Energy: 1.4726647813048168
Energy: 1.3254569130886718
Energy: 1.4726647813048168
Energy: 1.3254569130886718
Energy: 1.301373745304667
Energy: 1.407441875350971
Energy: 1.2791647813017575
Energy: 1.407441875350971
Energy: 1.3013737453053067
Energy: 1.407441875350971
Energy: 1.4710942521298624
Energy: 1.3053751006989456
Energy: 1.4710942521298624
Energy: 1.3053751006989456
Energy: 1.4710942521298624
Energy: 1.3053751006989456
Energy: 1.4561009837056498
Energy: 1.3044901891502476
Energy: 1.4561009837056498
Energy: 1.3044901891502476
Energy: 1.4561009837056498
Energy: 1.3044901891502476

minimum gb energy = 1.2791647813017575 eV
minimum distance =  2.28211238134817 Angstroms
sigma value = 101


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

Energy: 1.2752317325382627
Energy: 1.4670536009168877
Energy: 1.2752317325382627
Energy: 1.4670536009168877
Energy: 1.2752317325382627
Energy: 1.4670536009163255
Energy: 1.3745654856726932
Energy: 1.2570149914340816
Energy: 1.3745654856726932
Energy: 1.2570149914340816
Energy: 1.3745654856726932
Energy: 1.2570149914340816
Energy: 1.4535336274226995
Energy: 1.2425705608789221
Energy: 1.4535336274226995
Energy: 1.24257056087836
Energy: 1.4535336274226995
Energy: 1.2425705608789221
Energy: 1.2128861024093496
Energy: 1.522503539389986
Energy: 1.2128861024093496
Energy: 1.522503539389986
Energy: 1.2128861024093496
Energy: 1.4761623236630943
Energy: 1.2380364839904916
Energy: 1.3400271281381517
Energy: 1.2380364839904916
Energy: 1.3400271281381517
Energy: 1.2380364839904916
Energy: 1.3400271281381517
Energy: 1.446164725313274
Energy: 1.2218621883588014
Energy: 1.446164725313274
Energy: 1.2218621883588014
Energy: 1.446164725313274
Energy: 1.2218621883588014
Energy: 1.2478434779580403
Energy: 1.478036908280905
Energy: 1.2478434779574783
Energy: 1.478036908280905
Energy: 1.2478434779574783
Energy: 1.4780369082814675
Energy: 1.2319941030110657
Energy: 1.4489653015544406
Energy: 1.2319941030110657
Energy: 1.5592674026388584
Energy: 1.2319941030110657
Energy: 1.5592674026388584
Energy: 1.442462481886579
Energy: 1.222997993540669
Energy: 1.4424624818871412
Energy: 1.222997993540669
Energy: 1.442462481886579
Energy: 1.222997993540669
Energy: 1.3291850288292044
Energy: 1.3330755771342877
Energy: 1.3291850288292044
Energy: 1.4007953063470313
Energy: 1.3291850288292044
Energy: 1.4007953063470313
Energy: 1.2111624956255596
Energy: 1.5229658278533977
Energy: 1.2111624956255596
Energy: 1.5229658278533977
Energy: 1.2111624956255596
Energy: 1.5229658278533977
Energy: 1.5221825362040304
Energy: 1.2814617073181613
Energy: 1.5221825362040304
Energy: 1.257173577755513
Energy: 1.5221825362040304
Energy: 1.257173577755513
Energy: 1.4082362464434002
Energy: 1.2420930988288257
Energy: 1.4082362464434002
Energy: 1.2420930988288257
Energy: 1.4082362464434002
Energy: 1.2420930988288257
Energy: 1.2764626703417177
Energy: 1.5370814366210577
Energy: 1.2764626703417177
Energy: 1.5370814366210577
Energy: 1.2764626703417177
Energy: 1.5370814366210577
Energy: 1.3169957261249006
Energy: 1.32605737546921
Energy: 1.3169957261249006
Energy: 1.32605737546921
Energy: 1.3169957261249006
Energy: 1.32605737546921
Energy: 1.4540297015096197
Energy: 1.2427863970597017
Energy: 1.4540297015096197
Energy: 1.2427863970597017
Energy: 1.4540297015096197
Energy: 1.2427863970597017
Energy: 1.2114092379957664
Energy: 1.5308327231263237
Energy: 1.2114092379957664
Energy: 1.5308327231263237
Energy: 1.2114092379957664
Energy: 1.5308327231263237
Energy: 1.2119522871775064
Energy: 1.3393041368273768
Energy: 1.2119522871775064
Energy: 1.3393041368273768
Energy: 1.2119522871775064
Energy: 1.3393041368273768
Energy: 1.4505870415943374
Energy: 1.2229780594032618
Energy: 1.4505870415943374
Energy: 1.2229780594032618
Energy: 1.4505870415943374
Energy: 1.2229780594032618
Energy: 1.2480601442594792
Energy: 1.3123184476854246
Energy: 1.2480601442594792
Energy: 1.3123184476854246
Energy: 1.2480601442594792
Energy: 1.3123184476854246
Energy: 1.2321181165011819
Energy: 1.5960773329142093
Energy: 1.2321181165011819
Energy: 1.5960773329142093
Energy: 1.2321181165011819
Energy: 1.5960773329142093
Energy: 1.5082859842982326
Energy: 1.223312156670049
Energy: 1.5082859842982326
Energy: 1.223312156670049
Energy: 1.5082859842982326
Energy: 1.223312156670049
Energy: 1.4000576549860217
Energy: 1.2232883492876816
Energy: 1.4000576549860217
Energy: 1.2232883492876816
Energy: 1.400057654986584
Energy: 1.2232883492876816
Energy: 1.2127106639159786
Energy: 1.4570734909468557
Energy: 1.2127106639159786
Energy: 1.4570734909468557
Energy: 1.2127106639159786
Energy: 1.4570734909468557
Energy: 1.344017587413297
Energy: 1.3060291354942308
Energy: 1.344017587413297
Energy: 1.3060291354942308
Energy: 1.344017587413297
Energy: 1.3060291354942308
Energy: 1.4087611823368498
Energy: 1.2443430907806479
Energy: 1.4087611823368498
Energy: 1.2443430907806479
Energy: 1.4087611823368498
Energy: 1.2443430907806479
Energy: 1.275748173982835
Energy: 1.4528126962880545
Energy: 1.275748173982835
Energy: 1.4528126962880545
Energy: 1.275748173982273
Energy: 1.4528126962880545
Energy: 1.2752576582252495
Energy: 1.395655718622422
Energy: 1.2752576582252495
Energy: 1.395655718622422
Energy: 1.2752576582252495
Energy: 1.395655718622422
Energy: 1.4570833459361408
Energy: 1.2415305874508125
Energy: 1.4570833459361408
Energy: 1.2415305874508125
Energy: 1.4570833459361408
Energy: 1.2415305874508125
Energy: 1.2122346044454275
Energy: 1.4723288792104414
Energy: 1.2122346044454275
Energy: 1.4723288792104414
Energy: 1.2122346044454275
Energy: 1.4723288792104414
Energy: 1.2112859246915935
Energy: 1.3795160580336978
Energy: 1.2112859246915935
Energy: 1.3795160580336978
Energy: 1.2112859246915935
Energy: 1.3795160580336978
Energy: 1.521549305858285
Energy: 1.2234390478088892
Energy: 1.521549305858285
Energy: 1.2234390478088892
Energy: 1.521549305858285
Energy: 1.2234390478083268
Energy: 1.44920786791417
Energy: 1.2232094578858808
Energy: 1.44920786791417
Energy: 1.2232094578858808
Energy: 1.44920786791417
Energy: 1.2232094578858808

minimum gb energy = 1.2111624956255596 eV
minimum distance =  2.30414606504962 Angstroms
sigma value = 33


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

Energy: 0.013151072000034835
Energy: 1.189076909744563
Energy: 0.013151072000034835
Energy: 1.189076909744563
Energy: 0.013151072000034835
Energy: 1.189076909744563
Energy: 0.01414708776828725
Energy: 1.531931755738233
Energy: 0.01414708776828725
Energy: 1.531931755738233
Energy: 0.01414708776828725
Energy: 1.531931755738233
Energy: 1.1904654297999298
Energy: 0.4714638540908016
Energy: 1.1904654297999298
Energy: 0.4714638540908016
Energy: 1.1904654297999298
Energy: 0.4714638540908016
Energy: 0.01414708776828725
Energy: 1.531931755738233
Energy: 0.01414708776828725
Energy: 1.531931755738233
Energy: 0.01414708776828725
Energy: 1.531931755738233

minimum gb energy = 0.013151072000034835 eV
minimum distance =  2.47255604545148 Angstroms
sigma value = 1