Model name: model_name=Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1599882096052174
cohesive_energy=5.130582657262978
mass=95.95
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: -17.2757958404 eV

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

Energy: 0.012998534312536156
Energy: 0.015124207905068812
Energy: 1.7177776795535287
Energy: 0.015124207905068812
Energy: 0.012998534312536156
Energy: 0.015124207905068812
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 1.7177776795535287
Energy: 0.015124207905068812
Energy: 0.012998534312536156
Energy: 0.015124207905068812
Energy: 1.7177776795535287
Energy: 0.015124207905068812
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 0.012998534312536156
Energy: 0.015124207905068812
Energy: 1.7177776795535287
Energy: 0.015124207905068812
Energy: 0.012998534312536156
Energy: 0.015124207905068812
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 0.015124207905068812
Energy: 5.762460779905477
Energy: 0.015124207905068812
Energy: 5.762460779905477

minimum gb energy = 0.012998534312536156 eV
minimum distance =  2.45667210193637 Angstroms
sigma value = 1


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

Energy: 2.2299836012457845
Energy: 2.2719583372153105
Energy: 2.2040715821426606
Energy: 2.2719583372153105
Energy: 2.2299836012457845
Energy: 2.271958337205431
Energy: 2.09222377437656
Energy: 2.263216496567172
Energy: 2.172640647818363
Energy: 2.263216496567172
Energy: 2.09222377437656
Energy: 2.263216496567172
Energy: 2.155915355263014
Energy: 2.2614538025786093
Energy: 2.164433677453879
Energy: 2.2614538025786093
Energy: 2.155915355263014
Energy: 2.2614538025786093
Energy: 2.219299928140991
Energy: 2.2235238273835276
Energy: 2.1972510434429737
Energy: 2.2235238273835276
Energy: 2.219299928140991
Energy: 2.2235238273835276
Energy: 2.213632463534783
Energy: 2.322114705902439
Energy: 2.217920605979065
Energy: 2.322114705902439
Energy: 2.213632463534783
Energy: 2.322114705902439
Energy: 2.165976472627999
Energy: 2.2587693524550234
Energy: 2.161893418680358
Energy: 2.2587693524550234
Energy: 2.165976472627999
Energy: 2.2587693524550234
Energy: 2.1597879229488637
Energy: 2.2352629149654644
Energy: 2.167448881566652
Energy: 2.2352629149654644
Energy: 2.1597879229488637
Energy: 2.2352629149654644
Energy: 2.1299228876621212
Energy: 2.3193461871610332
Energy: 2.0296361788557924
Energy: 2.3193461871610332
Energy: 2.1299228876621212
Energy: 2.3193461871610332
Energy: 2.12855595832699
Energy: 2.199638004484832
Energy: 2.109997798997156
Energy: 2.199638004484832
Energy: 2.12855595832699
Energy: 2.199638004484832
Energy: 2.168740107426533
Energy: 2.270618192481832
Energy: 2.162812489063964
Energy: 2.2706181924916664
Energy: 2.168740107426533
Energy: 2.2706181924916664
Energy: 2.0679920240882788
Energy: 2.2798599607579044
Energy: 2.1063202543772723
Energy: 2.279859960767784
Energy: 2.0679920240882788
Energy: 2.2798599607579044
Energy: 2.1229323955902317
Energy: 2.3048137560395197
Energy: 2.126040515838908
Energy: 2.3048137560395197
Energy: 2.1229323955902317
Energy: 2.3048137560395197
Energy: 2.060195465730019
Energy: 2.2374055530580197
Energy: 2.1973780784233656
Energy: 2.2374055530580197
Energy: 2.060195465730019
Energy: 2.2374055530580197
Energy: 2.172233267883388
Energy: 2.253679550374869
Energy: 2.168084413145171
Energy: 2.253679550374869
Energy: 2.172233267883388
Energy: 2.253679550374869
Energy: 2.164714264627225
Energy: 2.2086484688348573
Energy: 2.128059134128654
Energy: 2.2086484688348573
Energy: 2.164714264627225
Energy: 2.2086484688348573
Energy: 2.072650509996436
Energy: 2.285230352189771
Energy: 2.140150952623113
Energy: 2.285230352189771
Energy: 2.0726505099866017
Energy: 2.285230352189771
Energy: 2.1753231814407124
Energy: 2.2546893826913386
Energy: 2.1591772728756466
Energy: 2.2546893826913386
Energy: 2.1753231814407124
Energy: 2.2546893826913386
Energy: 2.173255502516506
Energy: 2.2988745561764548
Energy: 2.1660454603866297
Energy: 2.2988745561764548
Energy: 2.173255502516506
Energy: 2.2988745561764548
Energy: 2.0791174325142716
Energy: 2.319444164412812
Energy: 2.2137618147637665
Energy: 2.319444164412812
Energy: 2.0791174325142716
Energy: 2.319444164412812
Energy: 2.106204736672729
Energy: 2.232741000466962
Energy: 2.2194788136554813
Energy: 2.232741000466962
Energy: 2.106204736672729
Energy: 2.232741000466962
Energy: 2.163094045219467
Energy: 2.283236620397666
Energy: 2.156246172674459
Energy: 2.283236620397666
Energy: 2.163094045219467
Energy: 2.283236620397666
Energy: 2.1664695863529624
Energy: 2.2581383780693196
Energy: 2.109926624521788
Energy: 2.2581383780693196
Energy: 2.1664695863529624
Energy: 2.2581383780693196
Energy: 2.2360433667626096
Energy: 2.3017603351712372
Energy: 2.0680114258085753
Energy: 2.3017603351712372
Energy: 2.2360433667626096
Energy: 2.3017603351712372

minimum gb energy = 2.0296361788557924 eV
minimum distance =  2.41058358218246 Angstroms
sigma value = 33


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

Energy: 2.4610390546660477
Energy: 2.376364285513858
Energy: 2.3213904320837275
Energy: 2.376364285513858
Energy: 2.4610390546660477
Energy: 2.376364285513858
Energy: 2.2093251431297105
Energy: 2.3351865240140253
Energy: 2.2176493281515564
Energy: 2.3351865240140253
Energy: 2.2093251431240915
Energy: 2.3351865240140253
Energy: 2.215738128805451
Energy: 2.3628836677453564
Energy: 2.2314062697182715
Energy: 2.3628836677453564
Energy: 2.215738128805451
Energy: 2.3628836677453564
Energy: 2.1913852349421696
Energy: 2.309453899502392
Energy: 2.1881055122113198
Energy: 2.309453899502392
Energy: 2.1913852349421696
Energy: 2.309453899502392
Energy: 2.1918647363147916
Energy: 2.305582844250063
Energy: 2.186052339860667
Energy: 2.305582844250063
Energy: 2.191864736320411
Energy: 2.305582844250063
Energy: 2.180182584794468
Energy: 2.3429915320866486
Energy: 2.2736650005296815
Energy: 2.3429915320866486
Energy: 2.180182584794468
Energy: 2.3429915320866486
Energy: 2.1775639994486804
Energy: 2.3227918361670294
Energy: 2.303945789243346
Energy: 2.3227918361670294
Energy: 2.1775639994486804
Energy: 2.3227918361670294
Energy: 2.2750655967433167
Energy: 2.31251401208496
Energy: 2.352456032150275
Energy: 2.31251401208496
Energy: 2.2750655967433167
Energy: 2.31251401208496
Energy: 2.1827238195755974
Energy: 2.3098473131541035
Energy: 2.237981276757172
Energy: 2.3098473131541035
Energy: 2.1827238195755974
Energy: 2.3098473131541035
Energy: 2.1657692919063427
Energy: 2.360723233071235
Energy: 2.174985965000278
Energy: 2.360723233071235
Energy: 2.1657692919063427
Energy: 2.360723233071235
Energy: 2.260521214942557
Energy: 2.4874594083395127
Energy: 2.1935521499233532
Energy: 2.4874594083395127
Energy: 2.260521214942557
Energy: 2.4874594083395127
Energy: 2.268969556630465
Energy: 2.337247651890842
Energy: 2.224601499806441
Energy: 2.337247651890842
Energy: 2.268969556630465
Energy: 2.337247651890842
Energy: 2.279117393247629
Energy: 2.2775845782577187
Energy: 2.158257612416483
Energy: 2.2775845782577187
Energy: 2.279117393247629
Energy: 2.2775845782577187
Energy: 2.250978739745717
Energy: 2.3622087084212597
Energy: 2.168455689830134
Energy: 2.3622087084212597
Energy: 2.250978739745717
Energy: 2.3622087084212597
Energy: 2.2247867527480314
Energy: 2.3357489122907635
Energy: 2.2361572001213803
Energy: 2.3357489122907635
Energy: 2.2247867527480314
Energy: 2.3357489122907635
Energy: 2.2258228977679133
Energy: 2.352060727070555
Energy: 2.223502039792632
Energy: 2.352060727070555
Energy: 2.2258228977679133
Energy: 2.352060727070555
Energy: 2.2486737783298287
Energy: 2.3656859603653952
Energy: 2.1746801524484902
Energy: 2.3656859603653952
Energy: 2.2486737783298287
Energy: 2.3656859603653952
Energy: 2.248893063965482
Energy: 2.304405343355412
Energy: 2.2214424206881147
Energy: 2.304405343355412
Energy: 2.248893063965482
Energy: 2.304405343355412
Energy: 2.2642730907849304
Energy: 2.316801638152832
Energy: 2.1733791264264544
Energy: 2.316801638152832
Energy: 2.2642730907849304
Energy: 2.316801638152832
Energy: 2.189040707953786
Energy: 2.3106786372901995
Energy: 2.2411895133069244
Energy: 2.3106786372901995
Energy: 2.189040707953786
Energy: 2.3106786372901995
Energy: 2.277443842466706
Energy: 2.3622449875161498
Energy: 2.293001823202374
Energy: 2.3622449875161498
Energy: 2.2774438424723256
Energy: 2.3622449875161498
Energy: 2.2149384558282232
Energy: 2.366441120664073
Energy: 2.2583583053348044
Energy: 2.366441120664073
Energy: 2.2149384558282232
Energy: 2.366441120664073
Energy: 2.1813337228444105
Energy: 2.3114470374859817
Energy: 2.252872034103528
Energy: 2.3114470374859817
Energy: 2.1813337228444105
Energy: 2.3114470374859817
Energy: 2.2748862892267643
Energy: 2.3070387037801927
Energy: 2.224307438577747
Energy: 2.3070387037801927
Energy: 2.2748862892267643
Energy: 2.3070387037801927
Energy: 2.2434149633569884
Energy: 2.358735735290966
Energy: 2.23054912985313
Energy: 2.358735735290966
Energy: 2.2434149633569884
Energy: 2.358735735290966
Energy: 2.195678687614991
Energy: 2.3414469548225507
Energy: 2.3466888630335148
Energy: 2.3414469548225507
Energy: 2.195678687614991
Energy: 2.3414469548225507
Energy: 2.1941972726865027
Energy: 2.3084821398348616
Energy: 2.3466888630335148
Energy: 2.3084821398348616
Energy: 2.1941972726865027
Energy: 2.3084821398348616
Energy: 2.242432037541657
Energy: 2.339564247776261
Energy: 2.229731607547587
Energy: 2.339564247776261
Energy: 2.242432037541657
Energy: 2.339564247776261
Energy: 2.3470391017195738
Energy: 2.3231720747564744
Energy: 2.25536432137425
Energy: 2.3231720747564744
Energy: 2.3470391017195738
Energy: 2.3231720747564744
Energy: 2.180992484831095
Energy: 2.340000613335166
Energy: 2.1661427857480002
Energy: 2.340000613335166
Energy: 2.180992484831095
Energy: 2.340000613335166
Energy: 2.216239886175052
Energy: 2.366441120664073
Energy: 2.251492858712039
Energy: 2.366441120664073
Energy: 2.216239886175052
Energy: 2.366441120664073
Energy: 2.27753623710924
Energy: 2.36243260924875
Energy: 2.275307250061371
Energy: 2.36243260924875
Energy: 2.27753623710924
Energy: 2.36243260924875
Energy: 2.196002201883053
Energy: 2.3058702709658263
Energy: 2.2016769352756755
Energy: 2.3058702709658263
Energy: 2.196002201883053
Energy: 2.3058702709658263
Energy: 2.2616496245315445
Energy: 2.3219301003555994
Energy: 2.410811888471267
Energy: 2.3219301003555994
Energy: 2.2616496245315445
Energy: 2.3219301003555994
Energy: 2.248312950491188
Energy: 2.325397046163749
Energy: 2.2416094191794835
Energy: 2.325397046163749
Energy: 2.248312950491188
Energy: 2.325397046163749
Energy: 2.2496953962335895
Energy: 2.3381824019147555
Energy: 2.173750803571278
Energy: 2.3381824019147555
Energy: 2.2496953962335895
Energy: 2.3381824019147555
Energy: 2.2249436883476252
Energy: 2.3207456050223305
Energy: 2.2056721698975754
Energy: 2.3207456050223305
Energy: 2.2249436883532447
Energy: 2.3207456050223305
Energy: 2.225779946650599
Energy: 2.3670777048918046
Energy: 2.2073422645714453
Energy: 2.3670777048918046
Energy: 2.2257799466449795
Energy: 2.3670777048918046
Energy: 2.2598026535573803
Energy: 2.3626684858935953
Energy: 2.167889274712285
Energy: 2.3626684858935953
Energy: 2.2598026535573803
Energy: 2.3626684858935953
Energy: 2.221262038667723
Energy: 2.2626044437731463
Energy: 2.1573448070991588
Energy: 2.2626044437731463
Energy: 2.221262038667723
Energy: 2.2626044437731463
Energy: 2.2689618133710523
Energy: 2.3213280460257764
Energy: 2.209547753817795
Energy: 2.3213280460257764
Energy: 2.2689618133710523
Energy: 2.3213280460257764

minimum gb energy = 2.1573448070991588 eV
minimum distance =  2.38876960177922 Angstroms
sigma value = 51


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

Energy: 2.2330217436067543
Energy: 2.359128702265416
Energy: 2.582906584584535
Energy: 2.359128702265416
Energy: 2.2330217436067543
Energy: 2.359128702265416
Energy: 2.3677818402205992
Energy: 2.335043295051211
Energy: 2.3711968828814793
Energy: 2.335043295051211
Energy: 2.3677818402205992
Energy: 2.335043295051211
Energy: 2.2926366992193947
Energy: 2.356917700781538
Energy: 2.335173868997313
Energy: 2.356917700781538
Energy: 2.2926366992193947
Energy: 2.356917700781538
Energy: 2.3098982306269957
Energy: 2.3295720536120434
Energy: 2.3303597597169303
Energy: 2.3295720536120434
Energy: 2.3098982306269957
Energy: 2.3295720536133455
Energy: 2.3145731089752815
Energy: 2.350064835791078
Energy: 2.322424755353893
Energy: 2.350064835791078
Energy: 2.3145731089752815
Energy: 2.350064835791078
Energy: 2.1960182750478756
Energy: 2.297106762271006
Energy: 2.342627915401819
Energy: 2.297106762271006
Energy: 2.1960182750478756
Energy: 2.297106762271006
Energy: 2.199850896435373
Energy: 2.2965961520759506
Energy: 2.2460321381209276
Energy: 2.2965961520746485
Energy: 2.199850896435373
Energy: 2.2965961520759506
Energy: 2.310083133015796
Energy: 2.3105363086897386
Energy: 2.220841801145063
Energy: 2.3105363086897386
Energy: 2.310083133015796
Energy: 2.3105363086897386
Energy: 2.2139752252965046
Energy: 2.466390556876664
Energy: 2.2500384045963475
Energy: 2.466390556876664
Energy: 2.2139752252965046
Energy: 2.466390556876664
Energy: 2.3010203216181613
Energy: 2.3599836548151063
Energy: 2.2197955762326167
Energy: 2.3599836548151063
Energy: 2.3010203216181613
Energy: 2.3599836548151063
Energy: 2.2131091526349533
Energy: 2.296931608912069
Energy: 2.353125961296848
Energy: 2.296931608912069
Energy: 2.2131091526336513
Energy: 2.296931608912069
Energy: 2.2005787636824903
Energy: 2.3616281022291994
Energy: 2.342932127421962
Energy: 2.3616281022291994
Energy: 2.2005787636824903
Energy: 2.3616281022291994
Energy: 2.2391633714550627
Energy: 2.309691757712647
Energy: 2.337910205007163
Energy: 2.309691757712647
Energy: 2.2391633714550627
Energy: 2.309691757712647
Energy: 2.300518607924329
Energy: 2.358272957307681
Energy: 2.331704184660667
Energy: 2.358272957307681
Energy: 2.300518607924329
Energy: 2.358272957307681
Energy: 2.292553881275672
Energy: 2.3652996734505094
Energy: 2.3387798608228962
Energy: 2.3652996734505094
Energy: 2.292553881275672
Energy: 2.3652996734505094
Energy: 2.3090720404451823
Energy: 2.3097172546662565
Energy: 2.330708037867259
Energy: 2.3097172546662565
Energy: 2.3090720404451823
Energy: 2.3097172546662565
Energy: 2.2015437050787843
Energy: 2.3605504040020793
Energy: 2.3385526052412278
Energy: 2.3605504040020793
Energy: 2.2015437050787843
Energy: 2.3605504040020793
Energy: 2.2212348083380435
Energy: 2.296949372003963
Energy: 2.3680613850733585
Energy: 2.296949372003963
Energy: 2.2212348083380435
Energy: 2.296949372003963

minimum gb energy = 2.1960182750478756 eV
minimum distance =  2.40767415680938 Angstroms
sigma value = 19


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

Energy: 2.4142534562348854
Energy: 2.3469462723670684
Energy: 2.575870799438861
Energy: 2.3469462723670684
Energy: 2.4142534562348854
Energy: 2.3469462723670684
Energy: 2.2565220462422095
Energy: 2.481393907638978
Energy: 2.2518876568289117
Energy: 2.481393907638978
Energy: 2.2565220462422095
Energy: 2.481393907638205
Energy: 2.279182521633409
Energy: 2.3579071937969656
Energy: 2.2591610628056356
Energy: 2.3579071937977383
Energy: 2.279182521633409
Energy: 2.3579071937969656
Energy: 2.4804473377313037
Energy: 2.3769477500642737
Energy: 2.2767721645982264
Energy: 2.3769477500642737
Energy: 2.4804473377313037
Energy: 2.3769477500642737
Energy: 2.4734392524342743
Energy: 2.369063124156587
Energy: 2.2585735803309666
Energy: 2.369063124156587
Energy: 2.4734392524342743
Energy: 2.369063124156587
Energy: 2.3365489546218225
Energy: 2.3703167773180445
Energy: 2.4734385948461
Energy: 2.3703167773180445
Energy: 2.3365489546210507
Energy: 2.3703167773180445
Energy: 2.2766895504561697
Energy: 2.376636285093898
Energy: 2.314823571463984
Energy: 2.376636285093898
Energy: 2.2766895504561697
Energy: 2.376636285093898
Energy: 2.2625653810554884
Energy: 2.3578902083857867
Energy: 2.279182474042435
Energy: 2.3578902083857867
Energy: 2.2625653810554884
Energy: 2.3578902083857867
Energy: 2.25187364027543
Energy: 2.4808427601955847
Energy: 2.251942008211708
Energy: 2.4808427601955847
Energy: 2.25187364027543
Energy: 2.4808427601955847
Energy: 2.4831483967062673
Energy: 2.3469462723670684
Energy: 2.4142534562348854
Energy: 2.3469462723670684
Energy: 2.4831483967062673
Energy: 2.3469462723670684
Energy: 2.2518876568289117
Energy: 2.481393907638978
Energy: 2.251634846427846
Energy: 2.481393907638205
Energy: 2.2518876568289117
Energy: 2.481393907638978
Energy: 2.2591610628056356
Energy: 2.3579071937969656
Energy: 2.279182521633409
Energy: 2.3579071937969656
Energy: 2.2591610628056356
Energy: 2.3579071937969656
Energy: 2.2767721645982264
Energy: 2.3769477500642737
Energy: 2.4804473377313037
Energy: 2.3769477500642737
Energy: 2.2767721645982264
Energy: 2.3769477500642737
Energy: 2.275973253393509
Energy: 2.369063124156587
Energy: 2.473439252435047
Energy: 2.369063124156587
Energy: 2.275973253393509
Energy: 2.369063124156587
Energy: 2.4734385948461
Energy: 2.3703167773180445
Energy: 2.2773498918844224
Energy: 2.3703167773180445
Energy: 2.4734385948461
Energy: 2.3703167773180445
Energy: 2.3801176283234047
Energy: 2.37663628509467
Energy: 2.2766895504561697
Energy: 2.376636285093898
Energy: 2.3801176283234047
Energy: 2.376636285093898
Energy: 2.279182474042435
Energy: 2.3578902083857867
Energy: 2.2625653810554884
Energy: 2.3578902083857867
Energy: 2.279182474042435
Energy: 2.3578902083857867
Energy: 2.251942008211708
Energy: 2.4808427601955847
Energy: 2.25187364027543
Energy: 2.4808427601955847
Energy: 2.251942008211708
Energy: 2.4808427601955847
Energy: 2.4142534562348854
Energy: 2.3469462723670684
Energy: 2.575870799438861
Energy: 2.3469462723670684
Energy: 2.4142534562348854
Energy: 2.3469462723670684
Energy: 2.251634846427074
Energy: 2.481393907638978
Energy: 2.2518876568289117
Energy: 2.481393907638978
Energy: 2.251634846427846
Energy: 2.481393907638978
Energy: 2.279182521633409
Energy: 2.3579071937969656
Energy: 2.2591610628056356
Energy: 2.3579071937969656
Energy: 2.279182521633409
Energy: 2.3579071937969656
Energy: 2.4804473377313037
Energy: 2.3769477500642737
Energy: 2.2767721645982264
Energy: 2.3769477500642737
Energy: 2.4804473377313037
Energy: 2.3769477500642737
Energy: 2.473439252435047
Energy: 2.369063124156587
Energy: 2.2236214621888295
Energy: 2.369063124156587
Energy: 2.4734392524342743
Energy: 2.369063124156587
Energy: 2.3365489546210507
Energy: 2.3703167773180445
Energy: 2.4734385948461
Energy: 2.3703167773180445
Energy: 2.3365489546210507
Energy: 2.3703167773180445
Energy: 2.2766895504561697
Energy: 2.376636285093898
Energy: 2.3664424379169913
Energy: 2.376636285093898
Energy: 2.2766895504561697
Energy: 2.376636285093898
Energy: 2.2625653810554884
Energy: 2.3578902083857867
Energy: 2.279182474042435
Energy: 2.3578902083857867
Energy: 2.2625653810554884
Energy: 2.3578902083857867
Energy: 2.25187364027543
Energy: 2.4808427601955847
Energy: 2.251942008211708
Energy: 2.4808427601955847
Energy: 2.25187364027543
Energy: 2.4808427601955847
Energy: 2.5166677678663265
Energy: 2.3469462723670684
Energy: 2.4142534562348854
Energy: 2.3469462723670684
Energy: 2.5166677678663265
Energy: 2.3469462723670684
Energy: 2.2518876568289117
Energy: 2.481393907638978
Energy: 2.251634846427846
Energy: 2.481393907638978
Energy: 2.2518876568289117
Energy: 2.481393907638978
Energy: 2.2591610628056356
Energy: 2.3579071937969656
Energy: 2.279182521633409
Energy: 2.3579071937969656
Energy: 2.2591610628056356
Energy: 2.3579071937969656

minimum gb energy = 2.2236214621888295 eV
minimum distance =  2.42729095520078 Angstroms
sigma value = 27


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

Energy: 2.3366432036101736
Energy: 2.3168725858896555
Energy: 2.2607279327411285
Energy: 2.3168725858896555
Energy: 2.3366432036101736
Energy: 2.3168725858915478
Energy: 2.0093905869648716
Energy: 2.2913713038644037
Energy: 2.260337972517242
Energy: 2.2913713038644037
Energy: 2.0093905869648716
Energy: 2.2913713038644037
Energy: 2.2802577040437653
Energy: 2.3617568120260413
Energy: 2.2768867255687604
Energy: 2.3617568120260413
Energy: 2.2802577040437653
Energy: 2.3617568120260413
Energy: 2.037405000114918
Energy: 2.1727953420286714
Energy: 2.1083802748801714
Energy: 2.1727953420286714
Energy: 2.037405000114918
Energy: 2.1727953420286714
Energy: 2.243270079098932
Energy: 2.1743665461420876
Energy: 2.24069747812332
Energy: 2.1743665461420876
Energy: 2.243270079098932
Energy: 2.1743665461420876
Energy: 2.289023875715183
Energy: 2.4003429071550424
Energy: 2.281495413666462
Energy: 2.4003429071550424
Energy: 2.289023875715183
Energy: 2.4003429071550424
Energy: 2.3071957738182154
Energy: 2.597865242768316
Energy: 2.2756210817001703
Energy: 2.597865242768316
Energy: 2.3071957738182154
Energy: 2.597865242768316
Energy: 2.3278690344239745
Energy: 2.2942974451322407
Energy: 2.2417243730251415
Energy: 2.2942974451322407
Energy: 2.3278690344239745
Energy: 2.2942974451322407
Energy: 2.283470789456242
Energy: 2.39660972492153
Energy: 2.264401376162942
Energy: 2.39660972492153
Energy: 2.283470789456242
Energy: 2.39660972492153
Energy: 2.279067336652142
Energy: 2.2420563904753803
Energy: 2.2872036451685953
Energy: 2.242056390473489
Energy: 2.279067336654034
Energy: 2.242056390473489
Energy: 2.0570444033162314
Energy: 2.174780261663016
Energy: 2.108980071496133
Energy: 2.174780261663016
Energy: 2.0570444033162314
Energy: 2.174780261663016
Energy: 2.242834732168404
Energy: 2.1728114916715175
Energy: 2.033450275943581
Energy: 2.1728114916715175
Energy: 2.242834732168404
Energy: 2.1728114916715175

minimum gb energy = 2.0093905869648716 eV
minimum distance =  2.44830782861571 Angstroms
sigma value = 9


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

Energy: 2.3485008459418024
Energy: 2.5151755612222324
Energy: 2.499153941996718
Energy: 2.5151755612222324
Energy: 2.3485008459418024
Energy: 2.5151755612222324
Energy: 2.2054300528780018
Energy: 2.536040533398691
Energy: 2.2207338949962456
Energy: 2.5581248590177563
Energy: 2.2054300528780018
Energy: 2.5746700868048924
Energy: 2.2229277381925545
Energy: 2.4781290635697304
Energy: 2.2298157658631044
Energy: 2.4781290635697304
Energy: 2.2229277381925545
Energy: 2.4781290635697304
Energy: 2.2553284455489453
Energy: 2.5103874057988396
Energy: 2.183761837877013
Energy: 2.5103874057988396
Energy: 2.2553284455489453
Energy: 2.5103874057988396
Energy: 2.295812674569261
Energy: 2.4694065172712687
Energy: 2.1810553966608905
Energy: 2.4694065172712687
Energy: 2.295812674569261
Energy: 2.4694065172712687
Energy: 2.21906406741704
Energy: 2.4453812636877235
Energy: 2.1974186197116787
Energy: 2.4171390882958703
Energy: 2.21906406741704
Energy: 2.4453812636877235
Energy: 2.305339273679383
Energy: 2.5051779624583377
Energy: 2.2065424734808907
Energy: 2.5051779624583377
Energy: 2.305339273679383
Energy: 2.5051779624583377
Energy: 2.191405855698964
Energy: 2.4717458326863477
Energy: 2.282082955729993
Energy: 2.4717458326863477
Energy: 2.191405855698964
Energy: 2.4717458326863477
Energy: 2.2165943133883106
Energy: 2.434711126536649
Energy: 2.231297193416054
Energy: 2.434711126536649
Energy: 2.2165943133883106
Energy: 2.434711126536649
Energy: 2.197123654257831
Energy: 2.4927376624209896
Energy: 2.275694240268601
Energy: 2.4927376624209896
Energy: 2.197123654257831
Energy: 2.4927376624209896
Energy: 2.267035064535254
Energy: 2.510223131619
Energy: 2.2122690649113887
Energy: 2.510223131619
Energy: 2.267035064535254
Energy: 2.510223131619
Energy: 2.231764907415211
Energy: 2.471410742483156
Energy: 2.192448666665905
Energy: 2.471410742483156
Energy: 2.231764907420527
Energy: 2.471410742483156
Energy: 2.2047111382847517
Energy: 2.3705643629627304
Energy: 2.187573513748866
Energy: 2.3705643629627304
Energy: 2.2047111382847517
Energy: 2.3705643629627304
Energy: 2.3010108250517316
Energy: 2.492594355140647
Energy: 2.186556232792596
Energy: 2.492594355140647
Energy: 2.3010108250517316
Energy: 2.492594355140647
Energy: 2.224931899331905
Energy: 2.4735999190492155
Energy: 2.212263625773271
Energy: 2.4735999190492155
Energy: 2.224931899331905
Energy: 2.4735999190492155
Energy: 2.2585493845493425
Energy: 2.485665822195779
Energy: 2.1929408392856207
Energy: 2.485665822195779
Energy: 2.2585493845493425
Energy: 2.485665822195779
Energy: 2.195917252269392
Energy: 2.5209319616650325
Energy: 2.3852890169446432
Energy: 2.5209319616650325
Energy: 2.195917252269392
Energy: 2.5209319616650325
Energy: 2.189774521816875
Energy: 2.3830297619161853
Energy: 2.2529516842289556
Energy: 2.38302976191087
Energy: 2.189774521816875
Energy: 2.3830297619161853
Energy: 2.1906761574505276
Energy: 2.505908802592889
Energy: 2.2145080409645264
Energy: 2.505908802592889
Energy: 2.1906761574505276
Energy: 2.505908802592889
Energy: 2.2152412431246504
Energy: 2.5104976333192996
Energy: 2.2144728399858504
Energy: 2.5266552155850963
Energy: 2.2152412431246504
Energy: 2.5104976333192996
Energy: 2.214516339755332
Energy: 2.5058994350206243
Energy: 2.190650580371666
Energy: 2.5058994350206243
Energy: 2.214516339755332
Energy: 2.5058994350206243
Energy: 2.2528759305913604
Energy: 2.3829673128017186
Energy: 2.191627523193567
Energy: 2.3829673128017186
Energy: 2.2528759305913604
Energy: 2.3829673128017186
Energy: 2.3855521280362515
Energy: 2.4923992012595435
Energy: 2.1956580239888024
Energy: 2.4923992012595435
Energy: 2.3855521280362515
Energy: 2.4923992012595435
Energy: 2.19276798143243
Energy: 2.4858048959301344
Energy: 2.258630408806149
Energy: 2.4858048959301344
Energy: 2.19276798143243
Energy: 2.4858048959301344
Energy: 2.2122439181620597
Energy: 2.4743146502822952
Energy: 2.22386936208907
Energy: 2.4743146502822952
Energy: 2.2122439181620597
Energy: 2.4743146502822952
Energy: 2.187182060479646
Energy: 2.493318744446962
Energy: 2.300836463900852
Energy: 2.493318744446962
Energy: 2.187182060479646
Energy: 2.493318744446962
Energy: 2.187413129974977
Energy: 2.3704056617059144
Energy: 2.205179393857868
Energy: 2.3704056617112297
Energy: 2.187413129974977
Energy: 2.3704056617112297
Energy: 2.192057265735432
Energy: 2.471216676345712
Energy: 2.2316310635384022
Energy: 2.471216676345712
Energy: 2.192057265735432
Energy: 2.471216676345712
Energy: 2.2122258292636676
Energy: 2.525303854790817
Energy: 2.2238786426323656
Energy: 2.525303854790817
Energy: 2.2122258292636676
Energy: 2.525303854790817
Energy: 2.275821719762851
Energy: 2.4926946163265606
Energy: 2.1968527747388618
Energy: 2.4926946163265606
Energy: 2.275821719762851
Energy: 2.4926946163265606
Energy: 2.2122339565110556
Energy: 2.434711126536649
Energy: 2.2167085152008887
Energy: 2.434711126536649
Energy: 2.2122339565110556
Energy: 2.434711126536649
Energy: 2.281229975909349
Energy: 2.4715879950798607
Energy: 2.191463689706305
Energy: 2.4715879950798607
Energy: 2.2812299759040338
Energy: 2.4715879950798607
Energy: 2.206827445951346
Energy: 2.5050145652458813
Energy: 2.4992138525279857
Energy: 2.5050145652458813
Energy: 2.206827445951346
Energy: 2.5050145652458813
Energy: 2.1975033793851977
Energy: 2.3622226972285367
Energy: 2.219002100057038
Energy: 2.3622226972285367
Energy: 2.1975033793851977
Energy: 2.3622226972285367
Energy: 2.1923307673438126
Energy: 2.4692930479885784
Energy: 2.2959542044947576
Energy: 2.4692930479885784
Energy: 2.1923307673438126
Energy: 2.4692930479885784
Energy: 2.1834786792779015
Energy: 2.5103817042338
Energy: 2.255386265285408
Energy: 2.5103817042338
Energy: 2.1834786792779015
Energy: 2.5103817042338
Energy: 2.2288981465694944
Energy: 2.478472508770345
Energy: 2.2210378998197986
Energy: 2.478472508770345
Energy: 2.2288981465694944
Energy: 2.478472508770345
Energy: 2.220718189362212
Energy: 2.5581248590177563
Energy: 2.2057359351249133
Energy: 2.5581248590177563
Energy: 2.220718189362212
Energy: 2.5581248590177563
Energy: 2.513578475825423
Energy: 2.5151755612222324
Energy: 2.3485008459418024
Energy: 2.5151755612222324
Energy: 2.513578475825423
Energy: 2.5151755612222324
Energy: 2.2207338949962456
Energy: 2.5746700868048924
Energy: 2.2054300528780018
Energy: 2.5746700868048924
Energy: 2.2207338949962456
Energy: 2.5746700868048924
Energy: 2.22981576586842
Energy: 2.4781290635697304
Energy: 2.2229277381978703
Energy: 2.4781290635697304
Energy: 2.22981576586842
Energy: 2.4781290635697304
Energy: 2.183761837877013
Energy: 2.5103874057988396
Energy: 2.2553284455489453
Energy: 2.5103874057988396
Energy: 2.183761837877013
Energy: 2.5103874057988396
Energy: 2.1810553966608905
Energy: 2.4694065172712687
Energy: 2.295812674569261
Energy: 2.4694065172712687
Energy: 2.1810553966608905
Energy: 2.4694065172712687

minimum gb energy = 2.1810553966608905 eV
minimum distance =  2.43160322058715 Angstroms
sigma value = 57


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

Energy: 2.3135601763718663
Energy: 2.5119901238559894
Energy: 2.3135834088496057
Energy: 2.5119901238559894
Energy: 2.3135601763718663
Energy: 2.5119901238559894
Energy: 2.294642390108986
Energy: 2.5976490343961394
Energy: 2.1380442757326126
Energy: 2.5976490343961394
Energy: 2.294642390108986
Energy: 2.5976490343961394
Energy: 2.116689037785715
Energy: 2.520273520656529
Energy: 2.179258328573376
Energy: 2.520273520656529
Energy: 2.116689037785715
Energy: 2.520273520656529
Energy: 2.1786261931134607
Energy: 2.5104937394741897
Energy: 2.0985495776336185
Energy: 2.5104937394741897
Energy: 2.1786261931134607
Energy: 2.5104937394741897
Energy: 2.2051803832613395
Energy: 2.544167296596063
Energy: 2.1294126501359054
Energy: 2.544167296596063
Energy: 2.2051803832613395
Energy: 2.5441672965972457
Energy: 2.296262999655797
Energy: 2.502032394723971
Energy: 2.043316043728971
Energy: 2.502032394723971
Energy: 2.296262999655797
Energy: 2.502032394723971
Energy: 2.293268725477376
Energy: 2.552657116912346
Energy: 2.0273058809931883
Energy: 2.552657116912346
Energy: 2.2932687254761657
Energy: 2.5526571169111363
Energy: 2.166803745302966
Energy: 2.5224104303494173
Energy: 2.1672419421402744
Energy: 2.5224104303494173
Energy: 2.166803745302966
Energy: 2.522410430348207
Energy: 2.1777156788936742
Energy: 2.508936245571687
Energy: 2.1844869925357364
Energy: 2.508936245571687
Energy: 2.1777156788936742
Energy: 2.508936245571687
Energy: 2.117044134776611
Energy: 2.5218355467172144
Energy: 2.333175808003953
Energy: 2.5218355467172144
Energy: 2.117044134776611
Energy: 2.5218355467172144
Energy: 2.3215793395678563
Energy: 2.5976490343961394
Energy: 2.1360609947616367
Energy: 2.5976490343961394
Energy: 2.3215793395678563
Energy: 2.5976490343961394
Energy: 2.313560176373076
Energy: 2.5119901238559894
Energy: 2.3056516963852913
Energy: 2.5119901238559894
Energy: 2.3135601763718663
Energy: 2.5119901238559894
Energy: 2.294642390108986
Energy: 2.5976490343961394
Energy: 2.1380442757326126
Energy: 2.5976490343961394
Energy: 2.2946423901077764
Energy: 2.5976490343961394
Energy: 2.116689037785715
Energy: 2.520273520656529
Energy: 2.179258328573376
Energy: 2.520273520656529
Energy: 2.116689037785715
Energy: 2.520273520656529
Energy: 2.1786261931134607
Energy: 2.5104937394741897
Energy: 2.0985495776336185
Energy: 2.5104937394741897
Energy: 2.1786261931134607
Energy: 2.5104937394741897
Energy: 2.2051803832613395
Energy: 2.544167296596063
Energy: 2.1847107160357933
Energy: 2.544167296596063
Energy: 2.2051803832613395
Energy: 2.544167296596063
Energy: 2.296262999654587
Energy: 2.502032394722761
Energy: 2.043316043728971
Energy: 2.502032394723971
Energy: 2.296262999654587
Energy: 2.502032394723971
Energy: 2.293268725477376
Energy: 2.552657116912346
Energy: 2.0273058809931883
Energy: 2.5526571169111363
Energy: 2.2932687254761657
Energy: 2.5526571169111363
Energy: 2.166803745302966
Energy: 2.522410430348207
Energy: 2.098550826558628
Energy: 2.5224104303494173
Energy: 2.166803745302966
Energy: 2.522410430348207

minimum gb energy = 2.0273058809931883 eV
minimum distance =  2.42905156816375 Angstroms
sigma value = 11


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

Energy: 2.0141457450192397
Energy: 2.387183736847957
Energy: 2.283786416770706
Energy: 2.387183736847957
Energy: 2.0141457450192397
Energy: 2.387183736847957
Energy: 2.307703625088284
Energy: 2.4063467599818704
Energy: 1.9329219622799652
Energy: 2.4063467599818704
Energy: 2.307703625088284
Energy: 2.4063467599818704
Energy: 1.9969266571106699
Energy: 2.3250794211017483
Energy: 2.1891926176744283
Energy: 2.3250794211017483
Energy: 1.9969266571018067
Energy: 2.3250794211017483
Energy: 2.1465172332812648
Energy: 2.327571297936456
Energy: 1.9333458714252034
Energy: 2.327571297936456
Energy: 2.1465172332812648
Energy: 2.327571297936456
Energy: 1.9214615387368263
Energy: 2.3819417260438813
Energy: 1.972774153829066
Energy: 2.3819417260438813
Energy: 1.9214615387368263
Energy: 2.3819417260438813
Energy: 1.9785326421188079
Energy: 2.4143861731497456
Energy: 1.9365410181874134
Energy: 2.4143861731497456
Energy: 1.9785326421188079
Energy: 2.4143861731497456
Energy: 1.9782223839426476
Energy: 2.320264031166996
Energy: 1.923618777308836
Energy: 2.320264031166996
Energy: 1.9782223839426476
Energy: 2.320264031166996
Energy: 2.2008169462905385
Energy: 2.386855953678894
Energy: 1.9474149786167996
Energy: 2.386855953678894
Energy: 2.2008169462905385
Energy: 2.386855953678894
Energy: 2.197894308707817
Energy: 2.3854687069633105
Energy: 2.1212574858731195
Energy: 2.3854687069633105
Energy: 2.197894308707817
Energy: 2.3854687069633105
Energy: 1.9726007086096708
Energy: 2.322878170410192
Energy: 1.9329886671854775
Energy: 2.322878170410192
Energy: 1.9726007086096708
Energy: 2.322878170410192
Energy: 1.9783785734678347
Energy: 2.4112499808481664
Energy: 1.9253130205303108
Energy: 2.4112499808481664
Energy: 1.9783785734678347
Energy: 2.4112499808481664
Energy: 1.919430420856656
Energy: 2.442336691744256
Energy: 1.9336440565839839
Energy: 2.442336691744256
Energy: 1.919430420856656
Energy: 2.442336691744256
Energy: 2.19788187161411
Energy: 2.1725136080133254
Energy: 1.9801581966717312
Energy: 2.1725136080133254
Energy: 2.19788187161411
Energy: 2.1725136080133254
Energy: 1.9173831975313835
Energy: 2.321758923696329
Energy: 1.9797106906904178
Energy: 2.3217589237051923
Energy: 1.9173831975313835
Energy: 2.3217589236343263
Energy: 2.3104808910190635
Energy: 2.4071563964239098
Energy: 1.9238195722841223
Energy: 2.4071563964239098
Energy: 2.3104808910190635
Energy: 2.4071563964239098
Energy: 1.9316394860431236
Energy: 2.413217647444234
Energy: 2.1935600304714624
Energy: 2.413217647444234
Energy: 1.9316394860431236
Energy: 2.413217647444234
Energy: 2.5192878486801726
Energy: 2.4065849789828615
Energy: 1.9708970996475306
Energy: 2.4065849789828615
Energy: 2.5192878486801726
Energy: 2.4065849789828615
Energy: 1.918179471437465
Energy: 2.3206213037302916
Energy: 1.9948275081952265
Energy: 2.3206213037302916
Energy: 1.918179471437465
Energy: 2.3206213037302916
Energy: 2.157661507008206
Energy: 2.3262123394954304
Energy: 1.9233147344502803
Energy: 2.3262123394954304
Energy: 2.157661507008206
Energy: 2.3262123394954304
Energy: 1.9200504024832443
Energy: 2.380544477395324
Energy: 2.07654581919791
Energy: 2.380544477395324
Energy: 1.9200504024832443
Energy: 2.380544477395324
Energy: 2.299219893809795
Energy: 2.434158185072733
Energy: 1.9425949829505584
Energy: 2.434158185072733
Energy: 2.299219893809795
Energy: 2.434158185072733
Energy: 1.9732282698190564
Energy: 2.321132758264938
Energy: 2.0244158006251274
Energy: 2.321132758264938
Energy: 1.9732282698190564
Energy: 2.321132758264938
Energy: 2.208720337923767
Energy: 2.3891397046161384
Energy: 1.9596965473121821
Energy: 2.3891397046161384
Energy: 2.208720337923767
Energy: 2.3891397046161384
Energy: 1.9198497660377831
Energy: 2.4070897462070424
Energy: 2.121762342860954
Energy: 2.4070897462070424
Energy: 1.9198497660377831
Energy: 2.4070897462070424
Energy: 1.968140678674689
Energy: 2.323163258592961
Energy: 1.942875760822222
Energy: 2.323163258592961
Energy: 1.968140678674689
Energy: 2.323163258592961
Energy: 1.9718553973011765
Energy: 2.375195041566813
Energy: 1.9189238983403452
Energy: 2.375195041566813
Energy: 1.9718553973011765
Energy: 2.375195041566813

minimum gb energy = 1.9173831975313835 eV
minimum distance =  2.4000952763418 Angstroms
sigma value = 41


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

Energy: 2.208384230500257
Energy: 2.2816474116893817
Energy: 1.970410188465492
Energy: 2.2816474116893817
Energy: 2.208384230500257
Energy: 2.2816474116893817
Energy: 2.4666988926784184
Energy: 2.245150528170886
Energy: 1.8101649820326893
Energy: 2.245150528170886
Energy: 2.4666988926784184
Energy: 2.245150528170886
Energy: 1.8893672292392156
Energy: 2.254039398922356
Energy: 2.0834915272219034
Energy: 2.254039398922356
Energy: 1.8893672292392156
Energy: 2.254039398922356
Energy: 2.298508104041081
Energy: 2.1565381650828948
Energy: 1.8098946824469355
Energy: 2.1565381650828948
Energy: 2.298508104041081
Energy: 2.1565381650828948
Energy: 1.8906874047039273
Energy: 2.119481795206787
Energy: 1.8588399379640403
Energy: 2.119481795206787
Energy: 1.8906874047039273
Energy: 2.119481795206787
Energy: 2.043670241074701
Energy: 2.246299057836147
Energy: 1.811103813235528
Energy: 2.246299057836147
Energy: 2.043670241074701
Energy: 2.246299057836147
Energy: 1.8026535315150454
Energy: 2.289139081518637
Energy: 1.8002973034398997
Energy: 2.289139081518637
Energy: 1.8026535315150454
Energy: 2.289139081518637
Energy: 2.172356284624332
Energy: 2.1219974278065217
Energy: 1.8113562660963203
Energy: 2.1219974278065217
Energy: 2.172356284624332
Energy: 2.1219974278065217
Energy: 1.8743925810533428
Energy: 2.1194524881141543
Energy: 1.9728892753296017
Energy: 2.1194524881141543
Energy: 1.8743925810533428
Energy: 2.1194524881141543
Energy: 2.060543203925253
Energy: 2.3096251918791264
Energy: 1.9703338899394751
Energy: 2.3096251918791264
Energy: 2.060543203925253
Energy: 2.3096251918791264
Energy: 2.055153270564273
Energy: 2.3042689973213637
Energy: 1.969460708083561
Energy: 2.3042689973213637
Energy: 2.055153270564273
Energy: 2.3042689973213637
Energy: 1.8655719491551326
Energy: 2.3266884845554068
Energy: 1.811122275457381
Energy: 2.3266884845554068
Energy: 1.8655719491551326
Energy: 2.2792081481075517
Energy: 1.8758482122822848
Energy: 2.3475929365813197
Energy: 1.9709053763016178
Energy: 2.3475929365813197
Energy: 1.8758482122822848
Energy: 2.3475929365813197
Energy: 1.7988845337728663
Energy: 2.2894770607692454
Energy: 1.808843866686095
Energy: 2.2894770607692454
Energy: 1.7988845337728663
Energy: 2.2894770607692454
Energy: 2.0344708407177934
Energy: 2.17256966769724
Energy: 1.7991665620192276
Energy: 2.17256966769724
Energy: 2.0344708407177934
Energy: 2.17256966769724
Energy: 1.7979080117397876
Energy: 2.2659112058876096
Energy: 1.810273412968631
Energy: 2.301898319718634
Energy: 1.7979080117397876
Energy: 2.2659112058876096
Energy: 2.1239515112127267
Energy: 2.354151072598633
Energy: 1.8619897894947928
Energy: 2.354151072598633
Energy: 2.1239515112127267
Energy: 2.354151072598633
Energy: 1.7950245065326131
Energy: 2.2911302832434504
Energy: 1.8720287674680605
Energy: 2.2911302832434504
Energy: 1.7950245065326131
Energy: 2.2911302832434504
Energy: 2.4670573866285674
Energy: 2.2465008921509515
Energy: 1.799591669676117
Energy: 2.2465008921509515
Energy: 2.4670573866285674
Energy: 2.2465008921509515
Energy: 1.9695514504982237
Energy: 2.3030164045144668
Energy: 2.0596271991566675
Energy: 2.2943448230553405
Energy: 1.9695514504982237
Energy: 2.3030164045144668
Energy: 2.2454508714593007
Energy: 2.244413160951701
Energy: 1.8614964563772203
Energy: 2.244413160951701
Energy: 2.2454508714593007
Energy: 2.244413160951701
Energy: 1.7952541301277756
Energy: 2.289956199041098
Energy: 1.8909714624758382
Energy: 2.289956199041098
Energy: 1.7952541301277756
Energy: 2.289956199041098
Energy: 2.197834642853779
Energy: 2.1557634959419962
Energy: 1.7989301482086002
Energy: 2.1557634959419962
Energy: 2.197834642853779
Energy: 2.1557634959419962
Energy: 1.7974878758145947
Energy: 2.2892217792862724
Energy: 1.9560535913196093
Energy: 2.264501687288372
Energy: 1.7974878758145947
Energy: 2.2892217792862724
Energy: 1.956454716060393
Energy: 2.2853409133667917
Energy: 1.797460157349186
Energy: 2.2853409133667917
Energy: 1.956454716060393
Energy: 2.2853409133667917
Energy: 1.7988540956014254
Energy: 2.159703293759655
Energy: 1.889083601629818
Energy: 2.159703293759655
Energy: 1.7988540956014254
Energy: 2.159703293759655
Energy: 2.166652652678182
Energy: 2.265341848519598
Energy: 1.7946595899922315
Energy: 2.265341848526584
Energy: 2.166652652678182
Energy: 2.2653418485126124
Energy: 1.8649032656782683
Energy: 2.317018860978929
Energy: 2.1200432445686315
Energy: 2.3012077114287957
Energy: 1.8649032656782683
Energy: 2.317018860978929
Energy: 2.0641334575969337
Energy: 2.3016446614044996
Energy: 1.9664485773873865
Energy: 2.3016446614044996
Energy: 2.0641334575969337
Energy: 2.3016446614044996
Energy: 1.7987090313722276
Energy: 2.163539096276232
Energy: 2.1039511474854713
Energy: 2.163539096276232
Energy: 1.7987090313722276
Energy: 2.163539096276232
Energy: 1.8633723466573242
Energy: 2.2986539551699536
Energy: 1.7958971989919998
Energy: 2.2986539551699536
Energy: 1.8633723466573242
Energy: 2.2986539551699536
Energy: 1.8643543342735989
Energy: 2.325650747945453
Energy: 1.9696461606964804
Energy: 2.325650747945453
Energy: 1.8643543342735989
Energy: 2.325650747945453
Energy: 1.7995659777510333
Energy: 2.29401868295701
Energy: 1.7983634257486993
Energy: 2.29401868295701
Energy: 1.7995659777510333
Energy: 2.29401868295701

minimum gb energy = 1.7946595899922315 eV
minimum distance =  2.45471325534757 Angstroms
sigma value = 33


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

Energy: 1.9277997286667838
Energy: 2.1404589476980185
Energy: 1.936168507083644
Energy: 2.1404589476980185
Energy: 1.9277997286667838
Energy: 2.1404589476980185
Energy: 2.3353709973221553
Energy: 1.9365698935072613
Energy: 1.6421710482512037
Energy: 1.9365698935072613
Energy: 2.3353709973221553
Energy: 1.9365698935072613
Energy: 1.9029849788759787
Energy: 2.0753288440077284
Energy: 1.9055450793941513
Energy: 2.0753288440077284
Energy: 1.9029849788759787
Energy: 2.0753288440077284
Energy: 2.2437316302418915
Energy: 1.8903639293325238
Energy: 1.6415783704963425
Energy: 1.890363929214904
Energy: 2.2437316302418915
Energy: 1.8903639292883998
Energy: 1.694144798248414
Energy: 2.0600762165975404
Energy: 1.667920816330103
Energy: 2.0600762165975404
Energy: 1.694144798248414
Energy: 2.0600762165975404
Energy: 1.9495143123044436
Energy: 1.9855137198642936
Energy: 1.6410080611877813
Energy: 1.9855137198642936
Energy: 1.9495143123044436
Energy: 1.9855137198642936
Energy: 1.6880815183848747
Energy: 2.0135468857077417
Energy: 1.6346373758436115
Energy: 2.0135468857077417
Energy: 1.6880815183848747
Energy: 2.0135468857077417
Energy: 2.003600608965499
Energy: 1.8763522390291802
Energy: 1.6325555482297984
Energy: 1.8763522390291802
Energy: 2.003600608965499
Energy: 1.8763522390291802
Energy: 1.6266740510620978
Energy: 2.0686847426269637
Energy: 1.8249455557286909
Energy: 2.0686847426269637
Energy: 1.6266740510620978
Energy: 2.0686847426269637
Energy: 1.7918603086911942
Energy: 2.046071924630775
Energy: 1.8382435090366802
Energy: 2.046071924630775
Energy: 1.7918603086911942
Energy: 2.046071924630775
Energy: 1.6399997141190519
Energy: 2.0156836852170037
Energy: 1.810628580886605
Energy: 2.0156836852170037
Energy: 1.6399997141190519
Energy: 2.0156836852170037
Energy: 2.046218527495362
Energy: 2.119718633277497
Energy: 1.842636653137213
Energy: 2.119718633277497
Energy: 2.046218527495362
Energy: 2.119718633277497
Energy: 1.7801534980981808
Energy: 2.0678114389733886
Energy: 1.9263551809680541
Energy: 2.0678114389733886
Energy: 1.7801534980981808
Energy: 2.0678114389733886
Energy: 1.8223272962586423
Energy: 2.130196160979063
Energy: 1.9370676703215481
Energy: 2.130196160979063
Energy: 1.8223272962586423
Energy: 2.130196160979063
Energy: 1.814427657307737
Energy: 2.0437747611027928
Energy: 1.930273216338211
Energy: 2.0437747611027928
Energy: 1.814427657307737
Energy: 2.0437747611027928
Energy: 1.7906608172150231
Energy: 2.1206111751643437
Energy: 1.8434506959005688
Energy: 2.1206111751643437
Energy: 1.7906608172150231
Energy: 2.1206111751643437
Energy: 1.7804197379149345
Energy: 2.0742961591930205
Energy: 1.9261210507031434
Energy: 2.0742961591930205
Energy: 1.7804197379149345
Energy: 2.0742961591930205
Energy: 1.6345912630979513
Energy: 2.0821931157043942
Energy: 1.8328970244439402
Energy: 2.0821931157043942
Energy: 1.6345912630979513
Energy: 2.0821931157043942
Energy: 1.8136238610855708
Energy: 2.0987029314870607
Energy: 1.810664539211227
Energy: 2.0987029314870607
Energy: 1.8136238610855708
Energy: 2.0987029314870607
Energy: 1.6235707498635508
Energy: 2.08449355101193
Energy: 1.632550356158238
Energy: 2.08449355101193
Energy: 1.6235707498635508
Energy: 2.08449355101193
Energy: 1.7792407958062573
Energy: 2.0895579700874993
Energy: 1.8232876903911854
Energy: 2.0895579700874993
Energy: 1.7792407958062573
Energy: 2.0895579700874993
Energy: 1.6505606107935658
Energy: 2.0809942125540086
Energy: 1.6423871288474543
Energy: 2.0809942125540086
Energy: 1.650560610788663
Energy: 2.0809942125540086
Energy: 1.9631405745702621
Energy: 2.1308731000936674
Energy: 1.6330642485473486
Energy: 2.1308731000936674
Energy: 1.9631405745702621
Energy: 2.1308731000936674
Energy: 1.670054211267435
Energy: 2.0823719445009017
Energy: 1.6411078811812798
Energy: 2.0823719445009017
Energy: 1.670054211267435
Energy: 2.0823719445009017
Energy: 2.0707663927973625
Energy: 2.0890000245350238
Energy: 1.791191993699747
Energy: 2.0890000245350238
Energy: 2.0707663927973625
Energy: 2.0890000245350238
Energy: 1.7582035964176599
Energy: 2.0780566454035823
Energy: 1.6712421948357858
Energy: 2.07805664539868
Energy: 1.7582035964176599
Energy: 2.078056645408485
Energy: 2.3466544488891072
Energy: 1.8909978138396375
Energy: 1.6337822200996088
Energy: 1.8909978138396375
Energy: 2.3466544488891072
Energy: 1.8909978138396375
Energy: 1.9032436024590877
Energy: 2.141961124592213
Energy: 1.8395099475329901
Energy: 2.141961124592213
Energy: 1.9032436024590877
Energy: 2.141961124592213
Energy: 2.0666349044824366
Energy: 2.025005615552088
Energy: 1.7919907464050182
Energy: 2.025005615552088
Energy: 2.066634904477534
Energy: 2.025005615552088
Energy: 1.8015683083146117
Energy: 2.0553997085645714
Energy: 1.8488739553365832
Energy: 2.0553997085645714
Energy: 1.8015683083146117
Energy: 2.0553997085645714
Energy: 2.093000766039903
Energy: 1.8889419543045847
Energy: 1.6339357116895374
Energy: 1.8889419543045847
Energy: 2.093000766039903
Energy: 1.8889419543045847
Energy: 1.6684342221942843
Energy: 2.0516225784609614
Energy: 1.8854506409191425
Energy: 2.0516225784609614
Energy: 1.6684342221942843
Energy: 2.0516225784609614
Energy: 1.8658847562316052
Energy: 1.9886114856797863
Energy: 1.6231628501722386
Energy: 1.9886114856797863
Energy: 1.8658847562316052
Energy: 1.9886114856797863
Energy: 1.648216727952016
Energy: 1.9678029588293222
Energy: 1.901715424371251
Energy: 1.9678029588293222
Energy: 1.648216727952016
Energy: 1.9678029588293222
Energy: 1.9002399170297268
Energy: 1.9679321735206228
Energy: 1.6503136216525276
Energy: 1.9679321735206228
Energy: 1.9002399170297268
Energy: 1.9679321735206228
Energy: 1.6234035619116909
Energy: 1.9887354438673182
Energy: 1.866283846094395
Energy: 1.9887354438673182
Energy: 1.6234035619116909
Energy: 1.9887354438673182
Energy: 1.884628797042392
Energy: 2.051424490113904
Energy: 1.660047578419309
Energy: 2.051424490118807
Energy: 1.884628797042392
Energy: 2.051424490113904
Energy: 1.6335246254732074
Energy: 1.886563789550659
Energy: 2.092458658596237
Energy: 1.886563789550659
Energy: 1.6335246254732074
Energy: 1.886563789550659
Energy: 1.8488739553365832
Energy: 2.0544596555121153
Energy: 1.7579752225398944
Energy: 2.0544596555121153
Energy: 1.8488739553365832
Energy: 2.0544596555121153
Energy: 1.7243264154980311
Energy: 2.025930900188179
Energy: 2.0667652747675183
Energy: 2.025930900188179
Energy: 1.7243264154980311
Energy: 2.025930900188179
Energy: 1.8400525373651728
Energy: 2.1417651363865566
Energy: 1.790274042903978
Energy: 2.1417651363865566
Energy: 1.8400525373651728
Energy: 2.1417651363865566
Energy: 1.633833200217566
Energy: 1.8918395960539323
Energy: 2.346647184648312
Energy: 1.8918395960539323
Energy: 1.633833200217566
Energy: 1.8918395960539323
Energy: 1.672755907825864
Energy: 2.0563792621569164
Energy: 1.757963412009473
Energy: 2.0563792621569164
Energy: 1.672755907825864
Energy: 2.0563792621569164
Energy: 1.725363787911677
Energy: 2.0889843731951996
Energy: 2.0695294641860156
Energy: 2.088984373200102
Energy: 1.725363787911677
Energy: 2.0889843731951996
Energy: 1.641102692951703
Energy: 2.082490475739418
Energy: 1.6670956904926608
Energy: 2.082490475739418
Energy: 1.6411026929566057
Energy: 2.082490475739418
Energy: 1.633050805488891
Energy: 2.13087310009857
Energy: 1.9619529401085831
Energy: 2.13087310009857
Energy: 1.633050805488891
Energy: 2.13087310009857
Energy: 1.6420540107969523
Energy: 2.081837431260482
Energy: 1.6489126232569344
Energy: 2.081837431260482
Energy: 1.6420540107969523
Energy: 2.081837431260482

minimum gb energy = 1.6231628501722386 eV
minimum distance =  2.46988255882816 Angstroms
sigma value = 67


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

Energy: 0.7258609262755421
Energy: 0.730450047502461
Energy: 2.86048847615032
Energy: 0.730450047502461
Energy: 0.7258609262755421
Energy: 0.730450047502461
Energy: 0.7105486038652585
Energy: 1.5537509724681378
Energy: 1.1722778001440957
Energy: 1.5537509724681378
Energy: 0.7105486038685351
Energy: 1.5537509724681378
Energy: 0.7258609262755421
Energy: 0.730450047502461
Energy: 2.5376120606701895
Energy: 0.730450047502461
Energy: 0.7258609262755421
Energy: 0.730450047502461
Energy: 0.7105486038685351
Energy: 1.5537509724681378
Energy: 1.1722778001440957
Energy: 1.5537509724681378
Energy: 0.7105486038652585
Energy: 1.5537509724681378
Energy: 0.7258609262755421
Energy: 0.730450047502461
Energy: 2.537612060666913
Energy: 0.730450047502461
Energy: 0.7258609262755421
Energy: 0.730450047502461
Energy: 0.7105486038652585
Energy: 1.5537509724681378
Energy: 1.1722778001440957
Energy: 1.5537509724681378
Energy: 0.7105486038685351
Energy: 1.5537509724681378
Energy: 0.7258609262755421
Energy: 0.730450047502461
Energy: 2.5376120606636365
Energy: 0.730450047502461
Energy: 0.7258609262755421
Energy: 0.730450047502461

minimum gb energy = 0.7105486038652585 eV
minimum distance =  2.69434784878807 Angstroms
sigma value = 3


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

Energy: 2.0353766900410277
Energy: 2.0411873461825074
Energy: 1.8927212490626915
Energy: 2.0411873461825074
Energy: 2.0353766900410277
Energy: 2.0411873461825074
Energy: 2.3111909585976766
Energy: 1.8322509816098012
Energy: 1.5598205825669436
Energy: 1.8322509816098012
Energy: 2.3111909586021357
Energy: 1.8322509816098012
Energy: 1.9704313071813464
Energy: 2.0069615865077264
Energy: 1.8718287228931771
Energy: 2.0069615865077264
Energy: 1.9704313071813464
Energy: 2.0069615865077264
Energy: 2.180218984533449
Energy: 1.7126377150612406
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Energy: 1.930135124261481
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Energy: 1.555404897854225
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Energy: 1.930135124261481
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Energy: 1.937170738004128
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Energy: 1.955634254560114
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Energy: 1.574503513747118
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Energy: 1.955634254560114
Energy: 1.9639860950016759
Energy: 2.1716882848310277
Energy: 1.9652386822063843
Energy: 1.5716236297122927
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Energy: 1.5491740413300055
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Energy: 1.7340546252792526
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Energy: 1.9255911224366449
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Energy: 1.9255911224366449
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Energy: 1.7278797168482494
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Energy: 1.7151688921561716
Energy: 1.8842503475237535
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Energy: 1.7198059249111417
Energy: 1.9796981713728485
Energy: 1.6976050546436712
Energy: 1.9796981713728485
Energy: 1.7198059249111417
Energy: 1.9796981713728485
Energy: 1.5674114309671048
Energy: 1.7974024394830022
Energy: 1.9187736121869712
Energy: 1.7974024394830022
Energy: 1.5674114309671048
Energy: 1.7974024394830022
Energy: 1.5612175029133588
Energy: 1.9322921406146936
Energy: 1.7054373373950251
Energy: 1.9322921406146936
Energy: 1.5612175029133588
Energy: 1.9322921406146936
Energy: 1.5703787089249408
Energy: 1.827897803349228
Energy: 1.9054530577661564
Energy: 1.827897803349228
Energy: 1.5703787089249408
Energy: 1.827897803349228
Energy: 1.5777448361175346
Energy: 1.9897725000792863
Energy: 1.9082701140559113
Energy: 1.9897725000792863
Energy: 1.5777448361175346
Energy: 1.9897725000792863
Energy: 1.5571854994883232
Energy: 1.8320084264266403
Energy: 2.231703604080009
Energy: 1.8320084264266403
Energy: 1.5571854994883232
Energy: 1.8320084264266403
Energy: 1.5923192427081425
Energy: 2.009156267924984
Energy: 1.9263427284191523
Energy: 2.009156267924984
Energy: 1.5923192427081425
Energy: 2.009156267924984
Energy: 1.5713918590696332
Energy: 1.7262755132263625
Energy: 2.0493964331905685
Energy: 1.7262755132263625
Energy: 1.5713918590740918
Energy: 1.7262755132219036
Energy: 1.5852895308246007
Energy: 1.9897404523536955
Energy: 1.9087592355713778
Energy: 1.9897404523536955
Energy: 1.5852895308246007
Energy: 1.9897404523536955
Energy: 1.5575301586906662
Energy: 1.6093105159496914
Energy: 2.048045517078061
Energy: 1.6093105159496914
Energy: 1.5575301586906662
Energy: 1.6093105159452326
Energy: 1.5542715796715008
Energy: 1.9331257443469576
Energy: 1.7050865861598918
Energy: 1.9331257443469576
Energy: 1.5542715796715008
Energy: 1.9331257443469576
Energy: 1.6077673405148938
Energy: 1.8069281576958365
Energy: 1.879642780705177
Energy: 1.8069281576958365
Energy: 1.6077673405148938
Energy: 1.8069281576958365
Energy: 1.736788885392752
Energy: 1.92997944744134
Energy: 1.6968337517533723
Energy: 1.92997944744134
Energy: 1.736788885392752
Energy: 1.92997944744134

minimum gb energy = 1.5491740413300055 eV
minimum distance =  2.44869489398648 Angstroms
sigma value = 81


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

Energy: 2.144738399275868
Energy: 2.246048555859264
Energy: 1.7744186665101602
Energy: 2.246048555859264
Energy: 2.144738399275868
Energy: 2.246048555859264
Energy: 2.3258799722019936
Energy: 1.9958430192859917
Energy: 1.6764806691966478
Energy: 1.9958430192859917
Energy: 2.3258799722019936
Energy: 1.9958430192859917
Energy: 2.181944298786009
Energy: 2.1834903342756675
Energy: 1.8314546011483719
Energy: 2.1834903342756675
Energy: 2.181944298786009
Energy: 2.1834903342756675
Energy: 2.1566473927181335
Energy: 1.7890260328525163
Energy: 1.6945559055428971
Energy: 1.7890260328463967
Energy: 2.1566473927181335
Energy: 1.7890260328525163
Energy: 1.8360243120066846
Energy: 2.0968640866641857
Energy: 1.8458708429348751
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Energy: 1.8360243120066846
Energy: 2.0968640866641857
Energy: 2.1168484442065925
Energy: 2.067950169016401
Energy: 1.710269775148541
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Energy: 2.1168484442065925
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Energy: 1.8206596358009273
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Energy: 1.8658516195946429
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Energy: 1.8206596358009273
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Energy: 1.735533018446001
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Energy: 1.735533018446001
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Energy: 1.6775125664848793
Energy: 2.164771134756936
Energy: 1.934459486542079
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Energy: 1.6775125664848793
Energy: 2.164771134756936
Energy: 1.66996667152558
Energy: 2.020529724955447
Energy: 2.134322960635171
Energy: 2.020529724955447
Energy: 1.66996667152558
Energy: 2.020529724955447
Energy: 1.7502956114655688
Energy: 2.1667333039986945
Energy: 1.9815748690276813
Energy: 2.1667333039986945
Energy: 1.7502956114655688
Energy: 2.1667333039986945
Energy: 1.752962837688042
Energy: 2.040764706523562
Energy: 1.97671265484952
Energy: 2.040764706523562
Energy: 1.752962837688042
Energy: 2.040764706523562
Energy: 1.7306576602414683
Energy: 2.1545241769678856
Energy: 1.7320106721922195
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Energy: 1.7306576602414683
Energy: 2.1545241769678856
Energy: 1.729414899491768
Energy: 2.049565876240727
Energy: 1.8408808513759571
Energy: 2.049565876240727
Energy: 1.729414899491768
Energy: 2.049565876240727
Energy: 1.9934512267891633
Energy: 2.1408143238123425
Energy: 1.7108709755535263
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Energy: 1.9934512267891633
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Energy: 1.996742112966606
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Energy: 1.996742112966606
Energy: 2.15993176215376
Energy: 1.9972479345486962
Energy: 2.133920474223259
Energy: 1.6926482307974526
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Energy: 1.9972479345486962
Energy: 2.133920474223259
Energy: 1.998267104924827
Energy: 2.1575377420501094
Energy: 1.799775331184659
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Energy: 2.311582005578017
Energy: 2.0112117145609694
Energy: 1.7116382063840596
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Energy: 2.311582005578017
Energy: 2.0112117145609694
Energy: 2.3110767067791897
Energy: 2.052359138910896
Energy: 1.6988293292711028
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Energy: 2.3110767067791897
Energy: 2.052359138910896
Energy: 2.0015540788261976
Energy: 2.1445995820268653
Energy: 1.875886678440337
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Energy: 2.0015540788261976
Energy: 2.1445995820268653
Energy: 2.0015223136131133
Energy: 2.1256288266305154
Energy: 1.6812006720596504
Energy: 2.1256288266305154
Energy: 2.001522313606993
Energy: 2.1256288266305154
Energy: 1.9907713441903045
Energy: 2.1545550367963866
Energy: 1.730788518964837
Energy: 2.1545550367963866
Energy: 1.9907713441903045
Energy: 2.1545550367963866
Energy: 1.9939015728156007
Energy: 2.092708317609843
Energy: 1.70930107897743
Energy: 2.092708317609843
Energy: 1.9939015728156007
Energy: 2.092708317609843
Energy: 1.728119180104109
Energy: 2.079148338317729
Energy: 2.0106776323243656
Energy: 2.079148338317729
Energy: 1.728119180104109
Energy: 2.079148338317729
Energy: 1.731462531085358
Energy: 2.134387973300124
Energy: 1.7279288016182115
Energy: 2.134387973300124
Energy: 1.731462531085358
Energy: 2.134387973300124
Energy: 1.7540854614178014
Energy: 2.040764706523562
Energy: 1.9759389580980897
Energy: 2.040764706523562
Energy: 1.7540854614178014
Energy: 2.040764706523562
Energy: 1.7506855340368301
Energy: 2.1559188937743907
Energy: 1.9822753915850186
Energy: 2.1559188937743907
Energy: 1.7506855340368301
Energy: 2.1559188937743907
Energy: 1.670836916351409
Energy: 2.0199815310975837
Energy: 2.260259574600048
Energy: 2.0199815310975837
Energy: 1.670836916351409
Energy: 2.0199815310975837
Energy: 1.722817649822485
Energy: 2.164983991550861
Energy: 1.9343752451901863
Energy: 2.164983991550861
Energy: 1.722817649822485
Energy: 2.164983991550861
Energy: 1.7070437251155608
Energy: 1.8002722298314002
Energy: 2.169331634082433
Energy: 1.8002722298314002
Energy: 1.7070437251155608
Energy: 1.8002722298314002
Energy: 1.7898378928527368
Energy: 2.155105343903987
Energy: 1.9806360275010202
Energy: 2.155105343903987
Energy: 1.7898378928527368
Energy: 2.155105343903987
Energy: 1.6894023755713292
Energy: 1.8604709345697155
Energy: 2.161648482187808
Energy: 1.8604709345697155
Energy: 1.6894023755713292
Energy: 1.8604709345697155
Energy: 1.736092735308559
Energy: 2.067956893262771
Energy: 1.7280188637105371
Energy: 2.067956893262771
Energy: 1.736092735308559
Energy: 2.067956893262771
Energy: 1.820589531128921
Energy: 2.0561557192268207
Energy: 1.8555667864944965
Energy: 2.0561557192268207
Energy: 1.820589531128921
Energy: 2.0561557192268207

minimum gb energy = 1.66996667152558 eV
minimum distance =  2.38325720764367 Angstroms
sigma value = 43


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

Energy: 2.3988251808943337
Energy: 2.3057841696216217
Energy: 1.74610109341812
Energy: 2.3057841696216217
Energy: 2.3988251808943337
Energy: 2.3057841696216217
Energy: 2.398833753434051
Energy: 2.164837697452421
Energy: 1.743706813280425
Energy: 2.164837697452421
Energy: 2.398833753434051
Energy: 2.164837697452421
Energy: 1.9595807523796969
Energy: 2.2582238719838843
Energy: 2.1891156758121655
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Energy: 1.9595807523796969
Energy: 2.2582238719838843
Energy: 2.194969052711051
Energy: 1.8628733368971693
Energy: 1.7621557841025168
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Energy: 2.194969052711051
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Energy: 1.918242504029173
Energy: 2.2669360585583087
Energy: 1.8202101407798779
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Energy: 1.8245074880760817
Energy: 2.2219401314102187
Energy: 1.798985104122755
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Energy: 1.7577862601467897
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Energy: 2.010528400537458
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Energy: 1.7577862601467897
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Energy: 1.9126696970471397
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Energy: 1.8449723957234407
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Energy: 1.7788189408920962
Energy: 2.0952111038308483
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Energy: 1.7788189408920962
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Energy: 1.753468849321872
Energy: 2.2479175349718177
Energy: 2.0608447958196328
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Energy: 1.753468849321872
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Energy: 1.729713273578406
Energy: 2.165824615605622
Energy: 2.160013093118408
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Energy: 2.165824615605622
Energy: 1.8256191120168777
Energy: 2.2091978252238733
Energy: 1.8448668772293895
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Energy: 2.2091978252238733
Energy: 1.8240108671411213
Energy: 1.867093862794613
Energy: 2.099037636918776
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Energy: 1.8240108671411213
Energy: 1.867093862794613
Energy: 1.8130212822817289
Energy: 2.2534863036130255
Energy: 1.7987906025088662
Energy: 2.2534863036130255
Energy: 1.8130212822817289
Energy: 2.2534863036130255
Energy: 1.8006606951091668
Energy: 2.2209363028021545
Energy: 1.823717205050296
Energy: 2.2209363028021545
Energy: 1.8006606951091668
Energy: 2.2209363028021545
Energy: 2.15987906786444
Energy: 2.0495918701294156
Energy: 1.7618769705157658
Energy: 2.0495918701294156
Energy: 2.15987906786444
Energy: 2.0495918701294156
Energy: 2.158696130391572
Energy: 2.209768907555263
Energy: 2.0198302550265863
Energy: 2.209768907555263
Energy: 2.158696130391572
Energy: 2.209768907555263
Energy: 2.179784689140001
Energy: 2.1630141291128373
Energy: 1.7845496650748307
Energy: 2.1630141291128373
Energy: 2.179784689140001
Energy: 2.1630141291128373
Energy: 2.179454445374744
Energy: 2.238394864957851
Energy: 1.773885337680073
Energy: 2.238394864957851
Energy: 2.1794544453754954
Energy: 2.238394864957851
Energy: 2.159094827954391
Energy: 2.1641745215344854
Energy: 1.7408507447771693
Energy: 2.1641745215344854
Energy: 2.159094827954391
Energy: 2.1641745215344854
Energy: 2.159138344996603
Energy: 2.2883110904964727
Energy: 1.7529527402305303
Energy: 2.2883110904964727
Energy: 2.159138344996603
Energy: 2.2883110904964727
Energy: 1.8113565083831558
Energy: 2.23136514532721
Energy: 1.8253305937185034
Energy: 2.23136514532721
Energy: 1.8113565083831558
Energy: 2.23136514532721
Energy: 1.8004298669066106
Energy: 2.2461374347177725
Energy: 1.8002640106960006
Energy: 2.2461374347177725
Energy: 1.8004298669066106
Energy: 2.2461374347177725
Energy: 1.8374940378184828
Energy: 2.2496248898686866
Energy: 1.8007442370482605
Energy: 2.2496248898686866
Energy: 1.8374940378184828
Energy: 2.2496248898686866
Energy: 1.8250764260973955
Energy: 2.2761099219458387
Energy: 1.8455705257177792
Energy: 2.2761099219458387
Energy: 1.8250764260973955
Energy: 2.2761099219458387
Energy: 1.73058431434543
Energy: 2.184034828631691
Energy: 2.11401760930177
Energy: 2.184034828631691
Energy: 1.73058431434543
Energy: 2.184034828631691
Energy: 1.7991255540906819
Energy: 2.247020595858805
Energy: 2.0610254950342193
Energy: 2.247020595858805
Energy: 1.7991255540906819
Energy: 2.247020595858805
Energy: 1.7723372408875993
Energy: 2.2481321728310326
Energy: 2.061936673449764
Energy: 2.2481321728310326
Energy: 1.7723372408875993
Energy: 2.2481321728310326
Energy: 1.9092272959020231
Energy: 2.2250311741809847
Energy: 1.8461261625947654
Energy: 2.2250311741809847
Energy: 1.9092272959020231
Energy: 2.2250311741809847
Energy: 1.758026646512342
Energy: 1.9448600802158855
Energy: 2.11233911935972
Energy: 1.9448600802158855
Energy: 1.758026646512342
Energy: 1.9448600802158855
Energy: 1.9161570452514678
Energy: 2.2303627630750245
Energy: 1.7997264615210313
Energy: 2.230362763067508
Energy: 1.9161570452514678
Energy: 2.230362763067508

minimum gb energy = 1.729713273578406 eV
minimum distance =  2.39375139179635 Angstroms
sigma value = 57


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

Energy: 1.945830215044035
Energy: 2.4243363292615774
Energy: 2.3361489289054767
Energy: 2.4243363292606044
Energy: 1.945830215044035
Energy: 2.4243363292615774
Energy: 2.0609508110053865
Energy: 2.4637611856393473
Energy: 1.810799310068118
Energy: 2.4637611856393473
Energy: 2.0609508110053865
Energy: 2.4637611856383743
Energy: 1.8803970318628558
Energy: 2.357669625294997
Energy: 2.227272649209417
Energy: 2.357669625294997
Energy: 1.8803970318628558
Energy: 2.357669625294997
Energy: 1.8121471369933737
Energy: 1.8238019266973817
Energy: 1.8164494567377187
Energy: 1.823801926698355
Energy: 1.8121471369933737
Energy: 1.823801926698355
Energy: 1.8063365667904592
Energy: 1.9184487929059428
Energy: 1.9900607959089878
Energy: 1.9184487929069165
Energy: 1.8063365667914324
Energy: 1.9184487929069165
Energy: 1.8330001901584696
Energy: 2.3571670591996496
Energy: 1.7870316443192034
Energy: 2.3571670591996496
Energy: 1.8330001901584696
Energy: 2.3571670591996496
Energy: 1.8444223977498766
Energy: 2.144604517798529
Energy: 2.0673924615759005
Energy: 2.144604517798529
Energy: 1.8444223977498766
Energy: 2.144604517798529
Energy: 1.859835277632581
Energy: 2.3647875368471456
Energy: 1.856362962794448
Energy: 2.3647875368471456
Energy: 1.859835277632581
Energy: 2.3647875368471456
Energy: 1.802786126589695
Energy: 2.4642914859375584
Energy: 2.2306756771878393
Energy: 2.4642914859375584
Energy: 1.802786126589695
Energy: 2.4642914859375584
Energy: 1.8246921515457408
Energy: 2.357652957106352
Energy: 1.787402914533809
Energy: 2.3576529571073257
Energy: 1.8246921515457408
Energy: 2.357652957106352
Energy: 1.8195138949579088
Energy: 1.8271270423167543
Energy: 1.8230848284222063
Energy: 1.8271270423167543
Energy: 1.8195138949588825
Energy: 1.8271270423167543
Energy: 1.7891565123433508
Energy: 2.0926149246099786
Energy: 1.8158310315981683
Energy: 2.092614924609005
Energy: 1.7891565123423776
Energy: 2.0926149246099786
Energy: 1.7865432215553565
Energy: 2.3821315120810693
Energy: 1.9466692843718814
Energy: 2.3821315120810693
Energy: 1.7865432215563297
Energy: 2.382131512080096
Energy: 2.2953638475275455
Energy: 2.1094306312196487
Energy: 1.8537384374278856
Energy: 2.109430631218675
Energy: 2.2953638475275455
Energy: 2.1094306312196487
Energy: 2.2928431228986046
Energy: 2.3702378040810634
Energy: 1.870624497259085
Energy: 2.3702378040810634
Energy: 2.2928431228986046
Energy: 2.3702378040810634
Energy: 1.789098547296803
Energy: 2.3809474804755224
Energy: 1.8078928772926062
Energy: 2.3809474804755224
Energy: 1.789098547296803
Energy: 2.3809474804755224
Energy: 1.7869989451831672
Energy: 2.125048098902225
Energy: 1.8206865963773735
Energy: 2.125048098902225
Energy: 1.7869989451831672
Energy: 2.125048098901252
Energy: 1.8223861469534015
Energy: 2.2008790947018464
Energy: 1.8223670375892915
Energy: 2.2008790947028194
Energy: 1.8223861469534015
Energy: 2.2008790947018464
Energy: 1.8206765721461786
Energy: 2.1250834320477594
Energy: 1.786613115274772
Energy: 2.1250834320477594
Energy: 1.8206765721461786
Energy: 2.1250834320477594
Energy: 1.8079584941253648
Energy: 2.380152045876835
Energy: 1.7886880642650484
Energy: 2.380152045876835
Energy: 1.8079584941253648
Energy: 2.380152045876835
Energy: 1.8704954875752204
Energy: 2.3702273822232955
Energy: 2.2924362003973187
Energy: 2.3702273822223225
Energy: 1.8704954875752204
Energy: 2.3702273822223225
Energy: 1.853777293105457
Energy: 2.153908171767026
Energy: 2.2953899281302195
Energy: 2.153908171767026
Energy: 1.853777293105457
Energy: 2.153908171767026
Energy: 1.8864842495031173
Energy: 2.383442125078737
Energy: 1.786763084986021
Energy: 2.383442125078737
Energy: 1.8864842495031173
Energy: 2.383442125078737
Energy: 1.815891743955898
Energy: 2.0914079192321577
Energy: 1.7890947490780442
Energy: 2.0914079192311847
Energy: 1.815891743955898
Energy: 2.0914079192311847

minimum gb energy = 1.7865432215553565 eV
minimum distance =  2.38316877425987 Angstroms
sigma value = 17


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

Energy: 1.9212506413443913
Energy: 1.920973090848167
Energy: 2.1567910465817253
Energy: 1.920973090848167
Energy: 1.9212506413443913
Energy: 1.920973090848167
Energy: 1.893272402575633
Energy: 1.895073759567569
Energy: 1.9027756084487382
Energy: 1.8950737595689462
Energy: 1.893272402575633
Energy: 1.8950737595689462
Energy: 1.9494685350746572
Energy: 1.95304960849775
Energy: 2.348953201239803
Energy: 1.95304960849775
Energy: 1.949468535076034
Energy: 1.95304960849775
Energy: 1.9035442451662026
Energy: 1.8797350565926167
Energy: 1.8753232498655144
Energy: 1.8797350565926167
Energy: 1.9035442451662026
Energy: 1.8797350565926167
Energy: 1.8967024678472764
Energy: 1.893432785222305
Energy: 2.2274425366475814
Energy: 1.893432785222305
Energy: 1.8967024678472764
Energy: 1.893432785222305
Energy: 1.8988544278863204
Energy: 1.856404748954052
Energy: 1.854991288073108
Energy: 1.856404748954052
Energy: 1.8988544278863204
Energy: 1.856404748954052
Energy: 1.911832085518975
Energy: 2.719909835493064
Energy: 1.8976516214228845
Energy: 2.7199098354944407
Energy: 1.911832085518975
Energy: 2.7199098354944407
Energy: 1.8837310871564348
Energy: 2.259529802217302
Energy: 1.8755064640320116
Energy: 2.259529802217302
Energy: 1.8837310871564348
Energy: 2.259529802217302
Energy: 1.875414082084077
Energy: 1.8821073541796445
Energy: 2.095644977623347
Energy: 1.8821073541796445
Energy: 1.875414082084077
Energy: 1.8821073541796445
Energy: 1.8575250938733063
Energy: 1.8460299741584059
Energy: 1.9023458675905842
Energy: 1.8460299741584059
Energy: 1.8575250938733063
Energy: 1.8460299741584059
Energy: 1.8544214382052964
Energy: 2.5328325665480085
Energy: 1.8964100924269602
Energy: 2.5328325665480085
Energy: 1.8544214382052964
Energy: 2.5328325665480085
Energy: 1.8845451169776126
Energy: 1.8750192440331213
Energy: 1.8987893383538363
Energy: 1.8750192440331213
Energy: 1.8845451169776126
Energy: 1.8750192440331213
Energy: 1.8761098610095734
Energy: 2.0695559327564856
Energy: 1.8761478955680004
Energy: 2.069555932757862
Energy: 1.8761098610095734
Energy: 2.0695559327564856
Energy: 1.9000745977250078
Energy: 1.8780042911285955
Energy: 1.8793987764130722
Energy: 1.8780042911285955
Energy: 1.9000745977236313
Energy: 1.8780042911285955
Energy: 1.912012047196531
Energy: 2.2551115675628903
Energy: 1.8551515103527032
Energy: 2.2551115675628903
Energy: 1.9120120471979072
Energy: 2.2551115675628903
Energy: 1.9018094141315784
Energy: 2.255132106226194
Energy: 1.8568838497899167
Energy: 2.255132106226194
Energy: 1.9018094141315784
Energy: 2.255132106226194
Energy: 1.8951519459200563
Energy: 1.8772259765179629
Energy: 1.8750626568064754
Energy: 1.8772259765179629
Energy: 1.8951519459200563
Energy: 1.8772259765179629

minimum gb energy = 1.8460299741584059 eV
minimum distance =  2.49668628003196 Angstroms
sigma value = 17


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

Energy: 2.403942182419403
Energy: 2.6090292796301986
Energy: 2.5215123196476337
Energy: 2.6090292796301986
Energy: 2.4039421824140876
Energy: 2.6090292796355143
Energy: 2.1690794371846187
Energy: 1.9155984979277916
Energy: 1.8861269339459752
Energy: 1.9155984979277916
Energy: 2.1690794371846187
Energy: 1.9155984979277916
Energy: 1.888761912018218
Energy: 2.026040073583398
Energy: 2.15827086852587
Energy: 2.026040073583398
Energy: 1.888761912018218
Energy: 2.026040073583398
Energy: 1.9634133909352258
Energy: 2.350535286664129
Energy: 2.0152005051180444
Energy: 2.350535286664129
Energy: 1.9634133909352258
Energy: 2.350535286664129
Energy: 1.889849875760525
Energy: 1.9814176926741922
Energy: 2.216843262622266
Energy: 1.9814176926741922
Energy: 1.889849875760525
Energy: 1.9814176926795075
Energy: 2.013890282824441
Energy: 2.3542382440023304
Energy: 2.0367296426535098
Energy: 2.3542382440023304
Energy: 2.013890282824441
Energy: 2.3542382440023304
Energy: 1.882000570653235
Energy: 2.016887635722978
Energy: 2.2228120301961223
Energy: 2.016887635722978
Energy: 1.882000570653235
Energy: 2.016887635722978
Energy: 2.369335017151431
Energy: 2.1278664923964685
Energy: 1.8888757838566141
Energy: 2.1278664923964685
Energy: 2.369335017151431
Energy: 2.1278664923964685
Energy: 2.0188145241682407
Energy: 2.35228387571673
Energy: 1.9146948526691876
Energy: 2.35228387571673
Energy: 2.0188145241682407
Energy: 2.35228387571673
Energy: 2.362234890981313
Energy: 1.9803422547223304
Energy: 1.8747047619731756
Energy: 1.9898843158230728
Energy: 2.362234890981313
Energy: 1.9676742689371423
Energy: 1.998425205543057
Energy: 2.474591492892554
Energy: 1.9988618419570268
Energy: 2.474591492892554
Energy: 1.998425205543057
Energy: 2.474591492892554
Energy: 1.9093929413873894
Energy: 2.3695939236108385
Energy: 1.8754325845568776
Energy: 2.3695939236108385
Energy: 1.9093929413873894
Energy: 2.3695939236108385
Energy: 1.8881468554196414
Energy: 2.124046927412729
Energy: 2.3492723802401665
Energy: 2.124046927412729
Energy: 1.8881468554196414
Energy: 2.124046927412729
Energy: 1.919079923299118
Energy: 2.5359456769068722
Energy: 2.351410175335442
Energy: 2.5359456769068722
Energy: 1.919079923299118
Energy: 2.5359456769068722
Energy: 1.909253393344137
Energy: 2.372222904227016
Energy: 1.9987382324321799
Energy: 2.372222904227016
Energy: 1.909253393344137
Energy: 2.372222904227016
Energy: 1.9873947750452585
Energy: 2.5162818328756593
Energy: 1.8753249506640455
Energy: 2.5162818328756593
Energy: 1.987394775050574
Energy: 2.487077246342848
Energy: 1.9850843480177984
Energy: 2.3651545063590045
Energy: 1.9149159544938255
Energy: 2.3651545063590045
Energy: 1.9850843480177984
Energy: 2.3651545063590045
Energy: 2.3313647255991534
Energy: 2.3335519247719194
Energy: 1.9147950707610404
Energy: 2.3335519247719194
Energy: 2.3313647255991534
Energy: 2.3335519247719194
Energy: 2.254434267584844
Energy: 2.265164725202308
Energy: 1.8822263326197113
Energy: 2.265164725202308
Energy: 2.254434267584844
Energy: 2.265164725202308
Energy: 1.8902008676754527
Energy: 2.599485745135088
Energy: 1.8901360690716356
Energy: 2.5463856359289307
Energy: 1.8902008676754527
Energy: 2.599485745135088
Energy: 1.8821520225824688
Energy: 2.2634968210387174
Energy: 2.1679990949827923
Energy: 2.2634968210387174
Energy: 1.8821520225824688
Energy: 2.2634968210387174
Energy: 1.914838903020482
Energy: 2.3340246792188464
Energy: 2.3316675638416373
Energy: 2.3340246792188464
Energy: 1.914838903020482
Energy: 2.3340246792188464
Energy: 1.9283960009541175
Energy: 2.3635633348134704
Energy: 1.983414909268054
Energy: 2.3635633348134704
Energy: 1.9283960009541175
Energy: 2.3635633348134704
Energy: 1.875324793281236
Energy: 2.4558557733192137
Energy: 1.9867644129349162
Energy: 2.4558557733192137
Energy: 1.875324793281236
Energy: 2.4558557733192137
Energy: 1.9978819411115203
Energy: 2.373770040491274
Energy: 1.8951884200456706
Energy: 2.373770040491274
Energy: 1.9978819411115203
Energy: 2.373770040491274
Energy: 2.350481626537187
Energy: 2.555616649002246
Energy: 1.918404345642565
Energy: 2.555616649002246
Energy: 2.350481626537187
Energy: 2.555616649002246
Energy: 2.3493516005556634
Energy: 2.1234464733789764
Energy: 1.8881910377604993
Energy: 2.1234464733789764
Energy: 2.3493516005556634
Energy: 2.1234464733789764
Energy: 1.8754829279981016
Energy: 2.3700804110030687
Energy: 1.9093703194736087
Energy: 2.3700804110030687
Energy: 1.8754829279981016
Energy: 2.3700804110030687
Energy: 1.9977675193604167
Energy: 2.473334049728133
Energy: 1.996505067506861
Energy: 2.473334049728133
Energy: 1.9977675193604167
Energy: 2.473334049728133
Energy: 1.8747274896748365
Energy: 1.9676742689371423
Energy: 2.3626805382951828
Energy: 1.9676742689371423
Energy: 1.8747274896748365
Energy: 1.9676742689371423
Energy: 1.9145395646145624
Energy: 2.3521159025754996
Energy: 2.018883965916122
Energy: 2.3521159025754996
Energy: 1.9145395646145624
Energy: 2.3521159025754996
Energy: 1.8889020576023707
Energy: 2.127852256354216
Energy: 2.3684474105268585
Energy: 2.127852256354216
Energy: 1.8889020576023707
Energy: 2.127852256354216
Energy: 2.221776142192704
Energy: 2.0159023065991954
Energy: 1.8820292883807588
Energy: 2.0159023065991954
Energy: 2.221776142192704
Energy: 2.0159023065991954
Energy: 2.0367144829926516
Energy: 2.3546202157293155
Energy: 2.037763852446343
Energy: 2.3546202157293155
Energy: 2.0367144829926516
Energy: 2.3546202157293155
Energy: 2.21654250158123
Energy: 1.9814176926741922
Energy: 1.8898399414996239
Energy: 1.9814176926741922
Energy: 2.21654250158123
Energy: 1.9814176926741922
Energy: 2.0152303078104827
Energy: 2.349779369803325
Energy: 1.966475545439475
Energy: 2.349779369803325
Energy: 2.0152303078104827
Energy: 2.349779369803325
Energy: 2.1578934715959615
Energy: 2.026147372111944
Energy: 1.888761077201703
Energy: 2.026147372111944
Energy: 2.1578934715959615
Energy: 2.026147372111944
Energy: 1.886086726358322
Energy: 1.9155827206368234
Energy: 2.1693716002735486
Energy: 1.9155827206368234
Energy: 1.886086726358322
Energy: 1.9155827206368234
Energy: 2.4625303776534326
Energy: 2.6090292796301986
Energy: 2.403942182419403
Energy: 2.6090292796301986
Energy: 2.4625303776534326
Energy: 2.6090292796301986
Energy: 1.8861269339459752
Energy: 1.9155984979277916
Energy: 2.1690794371846187
Energy: 1.9155984979277916
Energy: 1.8861269339459752
Energy: 1.9155984979277916
Energy: 2.15827086852587
Energy: 2.026040073583398
Energy: 1.888761912018218
Energy: 2.026040073583398
Energy: 2.15827086852587
Energy: 2.026040073583398
Energy: 2.0152005051180444
Energy: 2.350535286664129
Energy: 1.9634133909352258
Energy: 2.350535286664129
Energy: 2.0152005051180444
Energy: 2.350535286664129
Energy: 2.216843262622266
Energy: 1.9814176926741922
Energy: 1.889849875760525
Energy: 1.9814176926741922
Energy: 2.216843262622266
Energy: 1.9814176926741922

minimum gb energy = 1.8747047619731756 eV
minimum distance =  2.43649998766795 Angstroms
sigma value = 57


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

Energy: 2.2261727648898226
Energy: 2.5858710993092666
Energy: 2.994269028442066
Energy: 2.5858710993092666
Energy: 2.2261727648898226
Energy: 2.5858710993092666
Energy: 2.053350189589981
Energy: 1.9079484422886068
Energy: 1.9076733390544118
Energy: 1.9079484422886068
Energy: 2.053350189589981
Energy: 1.9079484422886068
Energy: 1.8948382608838168
Energy: 2.2052181219821856
Energy: 1.9915950929442345
Energy: 2.2052181219821856
Energy: 1.8948382608838168
Energy: 2.2052181219735707
Energy: 2.039659922601107
Energy: 2.1866483856501255
Energy: 2.1848633668027864
Energy: 2.1866483856501255
Energy: 2.039659922609762
Energy: 2.1866483856501255
Energy: 1.8259294939242798
Energy: 1.9656646645759424
Energy: 2.2167834267289175
Energy: 1.9656646645759424
Energy: 1.8259294939242798
Energy: 1.9656646645759424
Energy: 2.1758590078840268
Energy: 2.1882090781639696
Energy: 2.184761043642494
Energy: 2.1882090781639696
Energy: 2.1758590078840268
Energy: 2.1882090781639696
Energy: 1.893389774860459
Energy: 2.1953311410486744
Energy: 1.9041810164973307
Energy: 2.1953311410486744
Energy: 1.893389774860459
Energy: 2.1953311410486744
Energy: 2.290492994305246
Energy: 1.9816120788778733
Energy: 1.9084152504383198
Energy: 1.9816120788778733
Energy: 2.290492994305246
Energy: 1.9816120788778733
Energy: 2.03432894998945
Energy: 2.537260736409618
Energy: 1.9110315924433638
Energy: 2.537260736409618
Energy: 2.03432894998945
Energy: 2.537260736409618
Energy: 2.496040532432111
Energy: 1.9022465804490316
Energy: 1.9017658879291466
Energy: 1.9022465804403768
Energy: 2.496040532432111
Energy: 1.9022465804490316
Energy: 1.8931036095939862
Energy: 2.4184446407328903
Energy: 2.179036128528236
Energy: 2.4184446407328903
Energy: 1.8931036095939862
Energy: 2.4184446407328903
Energy: 1.9759444177394916
Energy: 2.186828746565993
Energy: 2.1609218344812566
Energy: 2.186828746565993
Energy: 1.9759444177394916
Energy: 2.186828746565993
Energy: 1.8338686547639307
Energy: 2.3174155931722837
Energy: 2.175797009787393
Energy: 2.3174155931722837
Energy: 1.8338686547639307
Energy: 2.3174155931722837
Energy: 2.1845868648613287
Energy: 2.454495688548888
Energy: 2.1608925349731773
Energy: 2.454495688548888
Energy: 2.1845868648613287
Energy: 2.454495688548888
Energy: 1.8961371141778174
Energy: 2.1946623685296234
Energy: 1.9088654019944504
Energy: 2.1946623685296234
Energy: 1.8961371141778174
Energy: 2.1946623685296234
Energy: 2.493344970247241
Energy: 2.280479593682771
Energy: 1.9065320272007782
Energy: 2.280479593682771
Energy: 2.493344970247241
Energy: 2.280479593682771
Energy: 2.1905489159347975
Energy: 2.337887334185831
Energy: 1.9255946232758883
Energy: 2.337887334185831
Energy: 2.1905489159347975
Energy: 2.337887334185831
Energy: 2.183967290194699
Energy: 2.5861133745551377
Energy: 1.9144311535905045
Energy: 2.5861133745551377
Energy: 2.183967290194699
Energy: 2.5861133745551377
Energy: 1.8960676440201325
Energy: 2.39920160159301
Energy: 2.1612384956316584
Energy: 2.39920160159301
Energy: 1.8960676440201325
Energy: 2.39920160159301
Energy: 2.0084916725108357
Energy: 2.4903009807629797
Energy: 2.154776996139808
Energy: 2.4903009807629797
Energy: 2.0084916725108357
Energy: 2.4903009807629797
Energy: 1.8487484757057857
Energy: 2.3108088372237527
Energy: 2.160029384022114
Energy: 2.3108088372237527
Energy: 1.8487484757057857
Energy: 2.3108088372237527
Energy: 1.9039884201889257
Energy: 2.207086635122343
Energy: 2.1551352409255102
Energy: 2.207086635122343
Energy: 1.9039884201889257
Energy: 2.207086635122343
Energy: 1.9108693545734357
Energy: 2.315305286067095
Energy: 1.9259273325503132
Energy: 2.315305286067095
Energy: 1.9108693545734357
Energy: 2.315305286067095
Energy: 2.025705221562782
Energy: 2.5071371725974987
Energy: 1.9142857980204904
Energy: 2.5071371725974987
Energy: 2.025705221562782
Energy: 2.5071371725974987
Energy: 2.0319701081995913
Energy: 2.3487619445996053
Energy: 1.9151808703503848
Energy: 2.3487619445996053
Energy: 2.0319701081995913
Energy: 2.3487619445996053
Energy: 1.9030773885191854
Energy: 2.3045647659696606
Energy: 1.9239375336394746
Energy: 2.3045647659696606
Energy: 1.9030773885191854
Energy: 2.3045647659696606
Energy: 1.9094054992273342
Energy: 2.531325455096575
Energy: 2.1558330990851275
Energy: 2.531325455096575
Energy: 1.9094054992273342
Energy: 2.531325455096575

minimum gb energy = 1.8259294939242798 eV
minimum distance =  2.37916226001705 Angstroms
sigma value = 43


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

Energy: 2.0934852027563564
Energy: 2.4803518480415576
Energy: 2.9723415655095704
Energy: 2.4803518480415576
Energy: 2.0934852027563564
Energy: 2.4803518480415576
Energy: 1.984839035266474
Energy: 1.9064086138559748
Energy: 1.8631190749875495
Energy: 1.9064086138559748
Energy: 1.984839035266474
Energy: 1.9064086138559748
Energy: 1.8683911515476448
Energy: 2.073407595157697
Energy: 2.28438598337439
Energy: 2.073407595157697
Energy: 1.8683911515476448
Energy: 2.073407595157697
Energy: 2.1376570002855972
Energy: 2.4558466224251267
Energy: 2.04221622629698
Energy: 2.4558466224251267
Energy: 2.1376570002855972
Energy: 2.4558466224251267
Energy: 1.8701821770237088
Energy: 1.9828952748730635
Energy: 2.0575651642540014
Energy: 1.9828952748730635
Energy: 1.8701821770237088
Energy: 1.9828952748730635
Energy: 2.02020752716758
Energy: 2.030726313507342
Energy: 1.8718735383331688
Energy: 2.030726313507342
Energy: 2.02020752716758
Energy: 2.030726313507342
Energy: 1.873480939324879
Energy: 2.0248487331039935
Energy: 1.9177329303120674
Energy: 2.0248487331039935
Energy: 1.873480939324879
Energy: 2.0248487331039935
Energy: 2.0680967153692187
Energy: 1.9873442389546827
Energy: 1.8652591273893888
Energy: 1.9873442389546827
Energy: 2.0680967153629135
Energy: 1.9873442389546827
Energy: 2.0352069965605786
Energy: 2.451170635968739
Energy: 2.052841826340821
Energy: 2.451170635968739
Energy: 2.0352069965605786
Energy: 2.451170635968739
Energy: 2.171803284741614
Energy: 2.056756218929995
Energy: 1.8725068513661711
Energy: 2.056756218929995
Energy: 2.171803284741614
Energy: 2.056756218929995
Energy: 1.8655146622357763
Energy: 1.9629575625888815
Energy: 2.510070965227582
Energy: 1.9629575625888815
Energy: 1.865514662242082
Energy: 1.9629575625888815
Energy: 1.9106938962309175
Energy: 2.4684841146203365
Energy: 2.078484908608216
Energy: 2.4684841146203365
Energy: 1.9106938962309175
Energy: 2.4684841146203365
Energy: 1.8743132335171668
Energy: 1.90962989300508
Energy: 2.0519793898421823
Energy: 1.90962989300508
Energy: 1.8743132335171668
Energy: 1.90962989300508
Energy: 2.028945936333015
Energy: 2.182196975598729
Energy: 1.8724241585127759
Energy: 2.182196975598729
Energy: 2.028945936333015
Energy: 2.182196975598729
Energy: 2.027055988402345
Energy: 2.4518016528113153
Energy: 1.9046735386352351
Energy: 2.4518016528113153
Energy: 2.027055988402345
Energy: 2.4518016528113153
Energy: 2.0190935927882427
Energy: 2.335590957764712
Energy: 1.886593963945292
Energy: 2.335590957764712
Energy: 2.0190935927882427
Energy: 2.335590957764712
Energy: 1.8804265225992303
Energy: 2.1928243921238835
Energy: 2.020139231906051
Energy: 2.1928243921238835
Energy: 1.8804265225992303
Energy: 2.1928243921238835
Energy: 1.910544885594148
Energy: 2.020886245486598
Energy: 1.8853802815746799
Energy: 2.020886245486598
Energy: 1.910544885594148
Energy: 2.020886245486598
Energy: 1.8914125501639065
Energy: 2.1928234494542798
Energy: 2.0283985675568363
Energy: 2.1928234494542798
Energy: 1.8914125501639065
Energy: 2.1928234494542798
Energy: 1.8706651505696443
Energy: 2.303090515603721
Energy: 2.0268326617886343
Energy: 2.303090515603721
Energy: 1.8706651505696443
Energy: 2.303090515603721
Energy: 1.885987846761861
Energy: 2.053669398450729
Energy: 1.908243300432801
Energy: 2.053669398450729
Energy: 1.885987846761861
Energy: 2.053669398450729
Energy: 2.4814848438765584
Energy: 2.177891936328591
Energy: 1.87977358897714
Energy: 2.177891936328591
Energy: 2.4814848438765584
Energy: 2.177891936328591
Energy: 2.262275069601093
Energy: 2.229276775130282
Energy: 1.9094584646292407
Energy: 2.229276775130282
Energy: 2.262275069601093
Energy: 2.229276775130282
Energy: 1.8699207859596871
Energy: 2.477948911086111
Energy: 1.9073060411327372
Energy: 2.477948911086111
Energy: 1.8699207859596871
Energy: 2.477948911086111
Energy: 1.8867283717114556
Energy: 2.2420142293787375
Energy: 2.039983239228675
Energy: 2.2420142293787375
Energy: 1.8867283717114556
Energy: 2.2420142293787375
Energy: 1.903069696438594
Energy: 2.3371274818946977
Energy: 2.034441748280538
Energy: 2.3371274818946977
Energy: 1.903069696438594
Energy: 2.3371274818946977
Energy: 1.8802684324739656
Energy: 2.481109888244598
Energy: 2.0303992207923964
Energy: 2.481109888244598
Energy: 1.8802684324739656
Energy: 2.481109888244598
Energy: 2.025961598650972
Energy: 2.489751956829785
Energy: 2.0258898525030964
Energy: 2.489751956829785
Energy: 2.025961598650972
Energy: 2.489751956829785
Energy: 2.0306784310946364
Energy: 2.48317422845514
Energy: 1.9087277055659864
Energy: 2.4831742284299168
Energy: 2.0306784310946364
Energy: 2.4831742284740574
Energy: 2.033543306901072
Energy: 2.3364384610576456
Energy: 1.9030512474658823
Energy: 2.3364384610576456
Energy: 2.033543306901072
Energy: 2.3364384610576456
Energy: 2.0395519155603257
Energy: 2.2416160667356695
Energy: 1.8868075750658198
Energy: 2.2416160667356695
Energy: 2.0395519155603257
Energy: 2.2416160667356695
Energy: 1.907329330146719
Energy: 2.4782245604943416
Energy: 1.8703707445731745
Energy: 2.4782245604943416
Energy: 1.907329330146719
Energy: 2.4782245604943416
Energy: 1.9094408508588518
Energy: 2.229364999119929
Energy: 2.4667830462731333
Energy: 2.229364999119929
Energy: 1.9094408508588518
Energy: 2.229364999119929
Energy: 1.8798329640429927
Energy: 2.1779361446691707
Energy: 2.48054371074081
Energy: 2.1779361446691707
Energy: 1.8798329640429927
Energy: 2.1779361446691707
Energy: 1.908257455116532
Energy: 2.052907176418498
Energy: 1.8859443915890568
Energy: 2.052907176418498
Energy: 1.908257455116532
Energy: 2.052907176418498
Energy: 2.027071696971981
Energy: 2.3028645439273188
Energy: 1.8714052963763101
Energy: 2.3028645439273188
Energy: 2.027071696971981
Energy: 2.3028645439273188

minimum gb energy = 1.8631190749875495 eV
minimum distance =  2.37158401741838 Angstroms
sigma value = 81


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

Energy: 1.8015992837308406
Energy: 1.802948357120295
Energy: 2.2049969683473902
Energy: 1.802948357120295
Energy: 1.8015992837308406
Energy: 1.802948357120295
Energy: 1.8030381344647168
Energy: 1.8034756371127718
Energy: 1.8015957833062082
Energy: 1.8034756371127718
Energy: 1.8030381344647168
Energy: 1.8034756371127718
Energy: 1.8015874607798816
Energy: 1.8034265305142791
Energy: 1.8025889816712046
Energy: 1.8034265305165964
Energy: 1.8015874607798816
Energy: 1.8034265305165964
Energy: 2.0359032320509933
Energy: 1.802948357120295
Energy: 1.8015992837308406
Energy: 1.802948357120295
Energy: 2.0359032345174164
Energy: 1.802948357120295
Energy: 1.8015957833062082
Energy: 1.8034756371104546
Energy: 1.8030381344647168
Energy: 1.8034756371127718
Energy: 1.8015957833062082
Energy: 1.8034756371127718
Energy: 1.8025889816712046
Energy: 1.8034265305165964
Energy: 1.8015874607798816
Energy: 1.8034265305165964
Energy: 1.8025889816712046
Energy: 1.8034265305142791
Energy: 1.8015992837308406
Energy: 1.802948357120295
Energy: 2.0359032353001956
Energy: 1.802948357120295
Energy: 1.8015992837308406
Energy: 1.802948357120295
Energy: 1.8030381344670336
Energy: 1.8034756371127718
Energy: 1.8015957833062082
Energy: 1.8034756371127718
Energy: 1.8030381344670336
Energy: 1.8034756371127718
Energy: 1.8015874607798816
Energy: 1.8034265305165964
Energy: 1.8025889816712046
Energy: 1.8034265305142791
Energy: 1.8015874607798816
Energy: 1.8034265305142791
Energy: 2.0012545855744657
Energy: 1.802948357120295
Energy: 1.8015992837308406
Energy: 1.802948357120295
Energy: 2.001254585576783
Energy: 1.802948357120295

minimum gb energy = 1.8015874607798816 eV
minimum distance =  2.47455621505079 Angstroms
sigma value = 3


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

Energy: 2.496210363341796
Energy: 2.499754213226667
Energy: 2.644965399673505
Energy: 2.499754213226667
Energy: 2.496210363341796
Energy: 2.499754213226667
Energy: 2.318728502373353
Energy: 2.080641863048434
Energy: 1.8752481910182544
Energy: 2.080641863048434
Energy: 2.318728502373353
Energy: 2.080641863048434
Energy: 1.9001128017119684
Energy: 1.9010057429505975
Energy: 2.230598833067759
Energy: 1.9010057429505975
Energy: 1.9001128017119684
Energy: 1.9010057429505975
Energy: 2.304190927672723
Energy: 2.2853959807441027
Energy: 2.07774368271179
Energy: 2.2853959807441027
Energy: 2.304190927672723
Energy: 2.2853959807441027
Energy: 2.0426910723413414
Energy: 2.0502144708521026
Energy: 2.485968023903677
Energy: 2.0502144708521026
Energy: 2.0426910723413414
Energy: 2.0502144708521026
Energy: 2.1219705212285955
Energy: 1.961181369321353
Energy: 1.845559184027099
Energy: 1.961181369321353
Energy: 2.1219705212285955
Energy: 1.961181369321353
Energy: 2.0427905351523656
Energy: 2.052063697520623
Energy: 2.0613315853351937
Energy: 2.052063697520623
Energy: 2.0427905351523656
Energy: 2.052063697520623
Energy: 2.042245553209812
Energy: 2.2791678938950093
Energy: 2.065743126458341
Energy: 2.2791678938950093
Energy: 2.042245553209812
Energy: 2.2791678938950093
Energy: 1.9008370024698167
Energy: 1.8968143635656118
Energy: 2.4821007094484306
Energy: 1.8968143635656118
Energy: 1.9008370024698167
Energy: 1.8968143635656118
Energy: 1.9041549137786187
Energy: 1.9443463304673854
Energy: 1.8737446214309519
Energy: 1.9443463304673854
Energy: 1.9041549137786187
Energy: 1.9443463304673854
Energy: 2.370445892492331
Energy: 2.081969183495526
Energy: 2.0717531995966683
Energy: 2.081969183495526
Energy: 2.370445892492331
Energy: 2.081969183495526
Energy: 2.377936518267161
Energy: 2.0716935542506163
Energy: 1.8831332962822922
Energy: 2.0716935542506163
Energy: 2.377936518267161
Energy: 2.0716935542506163
Energy: 1.9047760557374898
Energy: 1.9748692962783028
Energy: 1.874023708034858
Energy: 1.9748692962783028
Energy: 1.9047760557374898
Energy: 1.9748692962783028
Energy: 1.9000896425219733
Energy: 2.306813400322597
Energy: 2.070029342567208
Energy: 2.306813400322597
Energy: 1.9000896425219733
Energy: 2.306813400322597
Energy: 2.0495279404433293
Energy: 2.216327373074316
Energy: 2.066140102151061
Energy: 2.216327373074316
Energy: 2.0495279404433293
Energy: 2.216327373074316
Energy: 2.0555246119370443
Energy: 1.9481452062673066
Energy: 1.8563519838331815
Energy: 1.9481452062673066
Energy: 2.0555246119370443
Energy: 1.9481452062673066
Energy: 2.0497070690109602
Energy: 2.093740347409808
Energy: 1.844840872206104
Energy: 2.093740347409808
Energy: 2.0497070690109602
Energy: 2.093740347409808
Energy: 2.056067652010678
Energy: 2.0961838440931646
Energy: 2.0684364707308123
Energy: 2.0961838440931646
Energy: 2.056067652010678
Energy: 2.0961838440931646
Energy: 1.9028891739736928
Energy: 2.3505969955413057
Energy: 2.070633056349942
Energy: 2.3505969955413057
Energy: 1.9028891739736928
Energy: 2.3505969955413057
Energy: 1.9092575098537836
Energy: 1.9021405804086076
Energy: 1.8772753497009596
Energy: 1.9021405804086076
Energy: 1.9092575098537836
Energy: 1.9021405804086076
Energy: 2.512305653104476
Energy: 2.0750512559006107
Energy: 1.8744908355557763
Energy: 2.0750512559006107
Energy: 2.512305653104476
Energy: 2.0750512559006107
Energy: 2.5010264378160114
Energy: 2.2151440017994553
Energy: 2.0711562285546012
Energy: 2.2151440017994553
Energy: 2.5010264378160114
Energy: 2.2151440017994553
Energy: 1.9028443043511365
Energy: 1.9428560130011614
Energy: 1.8795907019840348
Energy: 1.9428560130011614
Energy: 1.9028443043511365
Energy: 1.9428560130011614
Energy: 1.9076509880777865
Energy: 1.8958286005530671
Energy: 2.4796633464390054
Energy: 1.8958286005530671
Energy: 1.9076509880777865
Energy: 1.8958286005530671
Energy: 2.0419489189705313
Energy: 2.102512754065093
Energy: 2.06473640449679
Energy: 2.102512754065093
Energy: 2.0419489189705313
Energy: 2.102512754065093
Energy: 2.040907365592312
Energy: 1.9006716625675084
Energy: 1.964203979791952
Energy: 1.9006716625675084
Energy: 2.040907365592312
Energy: 1.9006716625675084
Energy: 2.0408152514186444
Energy: 1.9470299361834926
Energy: 1.8529125157250237
Energy: 1.9470299361834926
Energy: 2.0408152514186444
Energy: 1.9470299361834926
Energy: 2.040923646691039
Energy: 1.9307666553382814
Energy: 2.4866972356142973
Energy: 1.9307666553382814
Energy: 2.040923646691039
Energy: 1.9307666553313478
Energy: 2.1043494109258383
Energy: 2.2748727300710048
Energy: 2.0818526862230597
Energy: 2.2748727300710048
Energy: 2.1043494109258383
Energy: 2.2748727300710048
Energy: 1.9004937910487287
Energy: 1.9024095074623968
Energy: 2.240957619117126
Energy: 1.9024095074623968
Energy: 1.9004937910487287
Energy: 1.9024095074623968
Energy: 2.636739419657556
Energy: 2.0840476341831904
Energy: 1.8729119218051944
Energy: 2.0840476341831904
Energy: 2.636739419657556
Energy: 2.0840476341831904
Energy: 2.3756615382377286
Energy: 2.387804125312892
Energy: 2.0719003196984773
Energy: 2.387804125312892
Energy: 2.3756615382377286
Energy: 2.387804125312892
Energy: 2.5539542525431274
Energy: 2.0833718576544245
Energy: 1.8732244470312662
Energy: 2.0833718576544245
Energy: 2.5539542525431274
Energy: 2.0833718576544245

minimum gb energy = 1.844840872206104 eV
minimum distance =  2.34191826277231 Angstroms
sigma value = 67


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

Energy: 1.9277254517114988
Energy: 2.502225165338089
Energy: 2.6438835630175106
Energy: 2.502225165347969
Energy: 1.9277254517114988
Energy: 2.502225165338089
Energy: 2.5002305859275595
Energy: 1.894530766614204
Energy: 1.8607717191694497
Energy: 1.894530766614204
Energy: 2.5002305859275595
Energy: 1.894530766614204
Energy: 1.8935798745429984
Energy: 2.0119109341935157
Energy: 2.174570740406495
Energy: 2.0119109341935157
Energy: 1.8935798745429984
Energy: 2.0119109341935157
Energy: 2.5498647604365243
Energy: 2.226508909565384
Energy: 1.8767423839975519
Energy: 2.226508909565384
Energy: 2.5498647604365243
Energy: 2.226508909565384
Energy: 1.8606457936870915
Energy: 2.548627116592293
Energy: 2.525278151740692
Energy: 2.548627116592293
Energy: 1.8606457936870915
Energy: 2.548627116592293
Energy: 1.8567382095351914
Energy: 1.892686202070934
Energy: 1.8602510818500708
Energy: 1.892686202070934
Energy: 1.8567382095351914
Energy: 1.8926862020808135
Energy: 1.862916551931763
Energy: 1.8958844874254066
Energy: 1.901935247099679
Energy: 1.8958844874254066
Energy: 1.862916551931763
Energy: 1.8958844874254066
Energy: 1.8869226739937066
Energy: 2.2934343641496353
Energy: 2.472449722005333
Energy: 2.2934343641595145
Energy: 1.8869226739937066
Energy: 2.2934343641595145
Energy: 1.887204891524608
Energy: 2.2001551888789526
Energy: 2.475064147363773
Energy: 2.2001551888789526
Energy: 1.887204891524608
Energy: 2.2001551888789526
Energy: 1.89495823006419
Energy: 1.888782172673051
Energy: 1.9052671470001452
Energy: 1.888782172673051
Energy: 1.89495823006419
Energy: 1.888782172673051
Energy: 1.8581817088348933
Energy: 1.8870735192522488
Energy: 1.902850310610904
Energy: 1.8870735192522488
Energy: 1.8581817088348933
Energy: 1.8870735192522488
Energy: 1.8641333373106925
Energy: 2.003665383785479
Energy: 1.864510105635788
Energy: 2.003665383785479
Energy: 1.8641333373106925
Energy: 2.003665383785479
Energy: 1.9031127279069704
Energy: 1.8873659711554778
Energy: 1.858289960383785
Energy: 1.8873659711554778
Energy: 1.9031127279069704
Energy: 1.8873659711554778
Energy: 1.9052516884111361
Energy: 1.889199643155634
Energy: 1.8952454601207198
Energy: 1.889199643155634
Energy: 1.9052516884111361
Energy: 1.889199643155634
Energy: 2.4762295858190244
Energy: 2.1996804951262168
Energy: 1.8872118566892986
Energy: 2.1996804951262168
Energy: 2.4762295858190244
Energy: 2.1996804951262168
Energy: 2.472409727571448
Energy: 2.293238438066329
Energy: 1.8861983350715381
Energy: 2.293238438066329
Energy: 2.472409727571448
Energy: 2.293238438066329
Energy: 1.9014501607074932
Energy: 1.8959932998463533
Energy: 1.8882615650479193
Energy: 1.8959932998463533
Energy: 1.9014501607074932
Energy: 1.8959932998463533
Energy: 1.8603504338640469
Energy: 1.8925846289849997
Energy: 1.8565205641926568
Energy: 1.8925846289849997
Energy: 1.8603504338640469
Energy: 1.8925846289849997
Energy: 2.5252508847686905
Energy: 2.548426355773376
Energy: 1.861053957487271
Energy: 2.548426355773376
Energy: 2.5252508847686905
Energy: 2.548426355773376
Energy: 1.8769308527644333
Energy: 2.227509545286277
Energy: 2.549417145398218
Energy: 2.227509545276398
Energy: 1.8769308527644333
Energy: 2.227509545286277
Energy: 2.1762293730287325
Energy: 2.0119109341935157
Energy: 1.8863560497662377
Energy: 2.0119109341935157
Energy: 2.1762293730287325
Energy: 2.0119109341935157
Energy: 1.860701084877965
Energy: 1.893705833744926
Energy: 2.499946308090192
Energy: 1.893705833744926
Energy: 1.860701084877965
Energy: 1.893705833744926
Energy: 2.402609992421615
Energy: 2.502225165338089
Energy: 1.9277254517114988
Energy: 2.502225165338089
Energy: 2.402609992421615
Energy: 2.502225165338089

minimum gb energy = 1.8565205641926568 eV
minimum distance =  2.35198319653972 Angstroms
sigma value = 33


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

Energy: 2.2202927153157743
Energy: 2.626610296727482
Energy: 2.8457937194067093
Energy: 2.626610296727482
Energy: 2.2202927153157743
Energy: 2.626610296727482
Energy: 2.510123048331411
Energy: 2.2352817015821422
Energy: 1.8693425146308038
Energy: 2.2352817015821422
Energy: 2.510123048331411
Energy: 2.2352817015821422
Energy: 1.8572336471433335
Energy: 1.9705991528070959
Energy: 2.4276225942436755
Energy: 1.9705991528070959
Energy: 1.8572336471433335
Energy: 1.9705991528070959
Energy: 1.9527540855830905
Energy: 2.187234510402904
Energy: 1.8792243708528256
Energy: 2.187234510402904
Energy: 1.9527540855830905
Energy: 2.187234510402904
Energy: 2.14208898080156
Energy: 2.349398153106868
Energy: 2.131353358189729
Energy: 2.349398153106868
Energy: 2.14208898080156
Energy: 2.3493981531131354
Energy: 2.1388180730991246
Energy: 1.8766155130417057
Energy: 1.8640039057535098
Energy: 1.8766155130417057
Energy: 2.1388180730991246
Energy: 2.0058758943384163
Energy: 1.8541506606933842
Energy: 1.8862937721568895
Energy: 1.874128268548719
Energy: 1.8862937721568895
Energy: 1.8541506606933842
Energy: 1.8862937721568895
Energy: 1.8825161908017836
Energy: 1.8374862111245476
Energy: 2.1312004934543283
Energy: 1.8374862110994787
Energy: 1.8825161908017836
Energy: 1.837486211174658
Energy: 2.1307960983419587
Energy: 2.1647795997627375
Energy: 2.129560003212648
Energy: 2.1647795997627375
Energy: 2.1307960983419587
Energy: 2.1647795997627375
Energy: 1.8441153996112296
Energy: 2.1239943539299193
Energy: 1.861750400367551
Energy: 2.165997770095059
Energy: 1.8441153996112296
Energy: 2.1239943539299193
Energy: 1.8375450860189442
Energy: 2.3806244355985124
Energy: 1.8883742023546177
Energy: 2.3806244355985124
Energy: 1.8375450860189442
Energy: 2.3806244355985124
Energy: 1.8364423801047667
Energy: 2.000872065646654
Energy: 2.5145783484314257
Energy: 2.000872065646654
Energy: 1.8364423801047667
Energy: 2.000872065646654
Energy: 2.17396406795489
Energy: 2.349730803418949
Energy: 2.1797333677706714
Energy: 2.349730803418949
Energy: 2.17396406795489
Energy: 2.349730803418949
Energy: 1.8689451075477836
Energy: 1.8718150198479235
Energy: 1.8522948163999322
Energy: 1.8718150198479235
Energy: 1.8689451075477836
Energy: 1.8718150198479235
Energy: 2.2263269146934515
Energy: 1.9698250906218964
Energy: 1.848044118144966
Energy: 1.9698250906218964
Energy: 2.2263269146934515
Energy: 1.9698250906218964
Energy: 1.8789182568591531
Energy: 2.1881885257474387
Energy: 2.519948020570596
Energy: 2.1881885257474387
Energy: 1.8789182568591531
Energy: 2.1881885257474387
Energy: 2.765883474949091
Energy: 2.641452163386316
Energy: 2.1852746172428192
Energy: 2.641452163386316
Energy: 2.765883474949091
Energy: 2.641452163386316
Energy: 1.8473871826909647
Energy: 1.8906707159974305
Energy: 2.437488262501641
Energy: 1.8906707159974305
Energy: 1.8473871826909647
Energy: 1.8906707159974305
Energy: 1.9900276751201267
Energy: 1.89923004812004
Energy: 1.8459332150641359
Energy: 1.89923004812004
Energy: 1.9900276751201267
Energy: 1.89923004812004
Energy: 2.1529919724391147
Energy: 2.346994702629105
Energy: 1.8741233902029597
Energy: 2.346994702629105
Energy: 2.1529919724391147
Energy: 2.346994702629105
Energy: 2.5012471874943585
Energy: 2.1460905318003616
Energy: 1.8557337123624826
Energy: 2.146090532082277
Energy: 2.5012471874943585
Energy: 2.1460905317753207
Energy: 1.8454308381896642
Energy: 1.885884774666829
Energy: 2.1414815144237087
Energy: 1.885884774666829
Energy: 1.8454308381896642
Energy: 1.885884774666829
Energy: 1.888224200825669
Energy: 2.3814597855118116
Energy: 1.847888003656755
Energy: 2.3814597855118116
Energy: 1.888224200825669
Energy: 2.3814597855118116
Energy: 2.1694438985664832
Energy: 2.154330880820665
Energy: 1.8453013955186077
Energy: 2.154330880826932
Energy: 2.1694438985664832
Energy: 2.154330880826932
Energy: 2.527496419721849
Energy: 1.9983081283836508
Energy: 1.837474331039381
Energy: 1.9983081283836508
Energy: 2.527496419721849
Energy: 1.9983081283836508
Energy: 1.9001012659355612
Energy: 2.3727194581629485
Energy: 1.8368649918583784
Energy: 2.3727194581629485
Energy: 1.9001012659355612
Energy: 2.3727194581629485
Energy: 1.8527016446133522
Energy: 1.8805329404780775
Energy: 2.1310001740996873
Energy: 1.8805329404780775
Energy: 1.8527016446133522
Energy: 1.8805329404780775
Energy: 2.1388639620748107
Energy: 2.155753549085003
Energy: 1.8437884082396523
Energy: 2.155753549085003
Energy: 2.1388639620748107
Energy: 2.155753549085003
Energy: 2.141737320332801
Energy: 1.8378580773509785
Energy: 1.8741339411867182
Energy: 1.8378580773384439
Energy: 2.141737320332801
Energy: 1.837858077357246
Energy: 1.883667002407965
Energy: 1.8951712761394477
Energy: 1.8463879705135178
Energy: 1.8951712761394477
Energy: 1.883667002407965
Energy: 1.8951712761394477
Energy: 1.8548306198408067
Energy: 2.1110441006196536
Energy: 2.5015349915711806
Energy: 2.1110441006196536
Energy: 1.8548306198408067
Energy: 2.1110441006196536
Energy: 2.1315350710240986
Energy: 2.640854029600633
Energy: 2.1294850454855063
Energy: 2.640854029600633
Energy: 2.1315350710240986
Energy: 2.640854029600633
Energy: 1.8802576431709384
Energy: 2.19579268376922
Energy: 2.7427802861482586
Energy: 2.19579268376922
Energy: 1.8802576431709384
Energy: 2.19579268376922
Energy: 2.43432887089874
Energy: 1.969487071654855
Energy: 1.857833827726198
Energy: 1.969487071654855
Energy: 2.43432887089874
Energy: 1.969487071654855
Energy: 1.8729023881921563
Energy: 2.2419470059368782
Energy: 2.336526313004605
Energy: 2.2419470059368782
Energy: 1.8729023881921563
Energy: 2.2419470059368782
Energy: 2.1739108353029977
Energy: 2.3433910236274906
Energy: 2.167640766547637
Energy: 2.343391023640025
Energy: 2.1739108353029977
Energy: 2.343391023564846
Energy: 1.8481677119692965
Energy: 2.4406644902393126
Energy: 2.5159305513066146
Energy: 2.4406644902393126
Energy: 1.8481677119692965
Energy: 2.4406644902393126

minimum gb energy = 1.8364423801047667 eV
minimum distance =  2.32650046607412 Angstroms
sigma value = 41


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

Energy: 1.6927522232007663
Energy: 1.6766749334249464
Energy: 2.66538372998631
Energy: 1.6766749334249464
Energy: 1.6927522232007663
Energy: 1.6766749334249464
Energy: 2.295810408245268
Energy: 1.6702662492362588
Energy: 1.6673167915800586
Energy: 1.6702662492362588
Energy: 2.295810408245268
Energy: 1.6702662492362588
Energy: 1.6931407272831984
Energy: 1.956735430671543
Energy: 1.670452448380379
Energy: 1.956735430671543
Energy: 1.6931407272831984
Energy: 1.956735430671543
Energy: 2.364491154351702
Energy: 1.6699440672175772
Energy: 1.667209830995115
Energy: 1.6699440672175772
Energy: 2.364491154351702
Energy: 1.6699440672175772
Energy: 1.6930365337475568
Energy: 2.27129716259416
Energy: 1.6698707378147124
Energy: 2.27129716259416
Energy: 1.6930365337475568
Energy: 2.27129716259416
Energy: 1.6904649961392628
Energy: 1.7736456795760194
Energy: 1.670655212747259
Energy: 1.7736456795760194
Energy: 1.690464996140974
Energy: 1.7736456795760194
Energy: 2.365384730005329
Energy: 1.6702906278027667
Energy: 1.67045478231572
Energy: 1.6702906278027667
Energy: 2.365384730005329
Energy: 1.6702906278027667
Energy: 1.6949894345036103
Energy: 1.6728640287009522
Energy: 1.6720972345620484
Energy: 1.6728640287026633
Energy: 1.6949894345036103
Energy: 1.6728640287026633
Energy: 2.3093718569291535
Energy: 1.7781804893184165
Energy: 1.670069311909135
Energy: 1.7781804893184165
Energy: 2.3093718569291535
Energy: 1.7781804893184165
Energy: 1.690012323608958
Energy: 2.2678879698719956
Energy: 1.66994169562941
Energy: 2.2678879698719956
Energy: 1.690012323608958
Energy: 2.2678879698719956
Energy: 2.6665683496882133
Energy: 1.6782770837988623
Energy: 1.6693802655571566
Energy: 1.6782770837988623
Energy: 2.666568349689924
Energy: 1.6782770837988623
Energy: 1.6906862933347602
Energy: 1.9589634796613136
Energy: 3.0013792291704897
Energy: 1.9589634796613136
Energy: 1.6906862933347602
Energy: 1.9589634796613136
Energy: 2.6666471874549256
Energy: 1.6782435941356955
Energy: 1.6693744830290422
Energy: 1.6782435941356955
Energy: 2.6666471874549256
Energy: 1.6782435941339842
Energy: 1.6899813188295356
Energy: 2.267075842455314
Energy: 1.6702314299433536
Energy: 2.267075842455314
Energy: 1.6899813188295356
Energy: 2.267075842455314

minimum gb energy = 1.667209830995115 eV
minimum distance =  2.39450336950989 Angstroms
sigma value = 11


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

Energy: 2.35367897059661
Energy: 2.033397315809471
Energy: 2.5481981329530856
Energy: 2.033397315809471
Energy: 2.35367897059661
Energy: 2.033397315809471
Energy: 2.2194336947263773
Energy: 2.4971804041014045
Energy: 2.0249718126668936
Energy: 2.4971804041014045
Energy: 2.2194336947263773
Energy: 2.4971804041014045
Energy: 2.019774999701506
Energy: 2.3096206872295455
Energy: 2.0282623403461812
Energy: 2.3096206872295455
Energy: 2.019774999701506
Energy: 2.3096206872295455
Energy: 2.070184322302127
Energy: 2.127166580237802
Energy: 2.0219772947486714
Energy: 2.127166580237802
Energy: 2.070184322302127
Energy: 2.127166580237802
Energy: 2.215602920691288
Energy: 2.330689312908781
Energy: 2.0686031903133912
Energy: 2.330689312908781
Energy: 2.215602920691288
Energy: 2.330689312908781
Energy: 2.0418595100975163
Energy: 2.35302711004338
Energy: 2.215626697351169
Energy: 2.35302711004338
Energy: 2.0418595100975163
Energy: 2.35302711004338
Energy: 2.069741271857672
Energy: 2.4536372050219355
Energy: 2.054661761438803
Energy: 2.4536372050219355
Energy: 2.069741271857672
Energy: 2.4536372050219355
Energy: 2.022554737329484
Energy: 2.1242985610064724
Energy: 2.019829374127939
Energy: 2.1242985610064724
Energy: 2.022554737329484
Energy: 2.1242985610064724
Energy: 2.2162847589390036
Energy: 2.2460482999711253
Energy: 2.0210568181465605
Energy: 2.2460482999711253
Energy: 2.2162847589390036
Energy: 2.2460482999711253
Energy: 2.018441124820871
Energy: 2.4521488750828935
Energy: 2.173660126190764
Energy: 2.4521488750828935
Energy: 2.018441124820871
Energy: 2.4521488750828935
Energy: 2.2171614396845305
Energy: 2.020447509993129
Energy: 2.22789400157013
Energy: 2.020447509985612
Energy: 2.2171614396845305
Energy: 2.020447509985612
Energy: 2.0235897799760294
Energy: 2.361482755400051
Energy: 2.2389570427048997
Energy: 2.361482755400051
Energy: 2.0235897799760294
Energy: 2.361482755400051
Energy: 2.0200428386516656
Energy: 2.308026564080818
Energy: 2.1294104762684998
Energy: 2.308026564080818
Energy: 2.0200428386516656
Energy: 2.308026564080818
Energy: 2.072562646582328
Energy: 2.250566147398828
Energy: 2.071236918184924
Energy: 2.250566147398828
Energy: 2.072562646582328
Energy: 2.250566147398828
Energy: 2.0213104751543374
Energy: 2.503134871554629
Energy: 2.216363197111481
Energy: 2.503134871554629
Energy: 2.0213104751543374
Energy: 2.503134871562146
Energy: 2.271325250791442
Energy: 2.4536970035495242
Energy: 2.0425470141945135
Energy: 2.4536970035495242
Energy: 2.271325246726463
Energy: 2.4536970035495242
Energy: 2.054719512666651
Energy: 2.4507430493782696
Energy: 2.2283198952539047
Energy: 2.4507430493782696
Energy: 2.054719512666651
Energy: 2.4507430493782696
Energy: 2.2158237768422366
Energy: 2.381469695383977
Energy: 2.02133670967396
Energy: 2.381469695383977
Energy: 2.2158237768422366
Energy: 2.381469695383977
Energy: 2.0773535379823596
Energy: 2.3093452027693417
Energy: 2.0697338046343745
Energy: 2.3093452027693417
Energy: 2.0773535379823596
Energy: 2.3093452027693417
Energy: 2.0288155852179086
Energy: 2.3076925869188156
Energy: 2.0183313434556696
Energy: 2.3076925869188156
Energy: 2.0288155852179086
Energy: 2.3076925869188156
Energy: 2.232764597979511
Energy: 2.2952501826626155
Energy: 2.0196118107293426
Energy: 2.2952501826626155
Energy: 2.232764597979511
Energy: 2.2952501826626155
Energy: 2.228979322751231
Energy: 2.0232724418948163
Energy: 2.279138990911323
Energy: 2.0232724418948163
Energy: 2.228979322751231
Energy: 2.0232724418948163
Energy: 2.1568353001757967
Energy: 2.451973434786744
Energy: 2.05038525136851
Energy: 2.451973434786744
Energy: 2.1568353001757967
Energy: 2.451973434786744
Energy: 2.021024468672075
Energy: 2.2459861182781924
Energy: 2.2192821827255638
Energy: 2.2459861182781924
Energy: 2.021024468672075
Energy: 2.2459861182781924
Energy: 2.095694276749618
Energy: 2.126559471898623
Energy: 2.0209064718246843
Energy: 2.126559471898623
Energy: 2.095694276749618
Energy: 2.126559471898623
Energy: 2.048240854582332
Energy: 2.3228745250460823
Energy: 2.0683303630532524
Energy: 2.3228745250460823
Energy: 2.048240854582332
Energy: 2.3228745250460823
Energy: 2.217879050553991
Energy: 2.3592513638002597
Energy: 2.215649886238837
Energy: 2.3592513638002597
Energy: 2.217879050553991
Energy: 2.3592513638002597
Energy: 2.0688128424548675
Energy: 2.326465995923404
Energy: 2.0414437302691093
Energy: 2.326465995923404
Energy: 2.0688128424548675
Energy: 2.326465995923404
Energy: 2.027431949125887
Energy: 2.1280552510468267
Energy: 2.0695164143756304
Energy: 2.1280552510468267
Energy: 2.027431949125887
Energy: 2.1280552510468267
Energy: 2.0200462385729736
Energy: 2.3096421332378845
Energy: 2.022190830014539
Energy: 2.3096421332378845
Energy: 2.0200462385729736
Energy: 2.3096421332378845
Energy: 2.0316246666617013
Energy: 2.4970188524400747
Energy: 2.215669576812363
Energy: 2.4970188524400747
Energy: 2.0316246666617013
Energy: 2.4970188524400747

minimum gb energy = 2.0183313434556696 eV
minimum distance =  2.36068881049316 Angstroms
sigma value = 57


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

Energy: 2.1177368479285437
Energy: 2.1676800832545426
Energy: 2.511274881301378
Energy: 2.1676800832545426
Energy: 2.1177368479285437
Energy: 2.1676800832532055
Energy: 2.0560754555572998
Energy: 2.215348483055986
Energy: 2.1011323605784753
Energy: 2.215348483055986
Energy: 2.0560754555572998
Energy: 2.2010314757232297
Energy: 2.072715620160695
Energy: 2.254892231472315
Energy: 2.101854441060843
Energy: 2.254892231472315
Energy: 2.072715620160695
Energy: 2.254892231472315
Energy: 2.1006980866541745
Energy: 2.6593892874616265
Energy: 2.100759068648138
Energy: 2.5550311317887306
Energy: 2.1006980866541745
Energy: 2.2661006447011536
Energy: 2.1018430792434675
Energy: 2.254917025496859
Energy: 2.0812954939742605
Energy: 2.254917025496859
Energy: 2.1018430792434675
Energy: 2.254917025496859
Energy: 2.101183791512258
Energy: 2.2010527548044077
Energy: 2.056046283364408
Energy: 2.2010527548044077
Energy: 2.101183791512258
Energy: 2.2010527548044077
Energy: 2.407749749050573
Energy: 2.1676800832545426
Energy: 2.1177368479285437
Energy: 2.1676800832532055
Energy: 2.4077497444229023
Energy: 2.1676800832532055
Energy: 2.1011323605784753
Energy: 2.2010314757232297
Energy: 2.0560754555572998
Energy: 2.2010314757232297
Energy: 2.1011323605784753
Energy: 2.286499276798737
Energy: 2.1018544410595053
Energy: 2.254892231472315
Energy: 2.072715620160695
Energy: 2.254892231472315
Energy: 2.101854441060843
Energy: 2.254892231472315
Energy: 2.100759068648138
Energy: 2.2661006447011536
Energy: 2.1006980866541745
Energy: 2.2661006447011536
Energy: 2.100759068648138
Energy: 2.6593892874616265
Energy: 2.0812954939742605
Energy: 2.254917025496859
Energy: 2.1018430792434675
Energy: 2.254917025496859
Energy: 2.0812954939742605
Energy: 2.254917025496859
Energy: 2.056046283364408
Energy: 2.2010527548044077
Energy: 2.101183791512258
Energy: 2.2010527548044077
Energy: 2.056046283364408
Energy: 2.2010527548044077
Energy: 2.1177368479285437
Energy: 2.1676800832545426
Energy: 2.4077497497164337
Energy: 2.1676800832545426
Energy: 2.1177368479285437
Energy: 2.1676800832545426
Energy: 2.0560754555572998
Energy: 2.2010314757232297
Energy: 2.1011323605784753
Energy: 2.2010314757232297
Energy: 2.0560754555572998
Energy: 2.2010314757232297
Energy: 2.072715620160695
Energy: 2.254892231472315
Energy: 2.101854441060843
Energy: 2.254892231472315
Energy: 2.072715620160695
Energy: 2.254892231472315
Energy: 2.1006980866541745
Energy: 2.2661006447011536
Energy: 2.100759068648138
Energy: 2.2661006447024916
Energy: 2.1006980866541745
Energy: 2.2661006447011536
Energy: 2.1018430792434675
Energy: 2.254917025496859
Energy: 2.0812954939742605
Energy: 2.254917025496859
Energy: 2.1018430792434675
Energy: 2.254917025496859

minimum gb energy = 2.056046283364408 eV
minimum distance =  2.45495923782974 Angstroms
sigma value = 9


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

Energy: 2.276230787697855
Energy: 2.076647095866553
Energy: 2.43772443224764
Energy: 2.076647095866553
Energy: 2.276230787697855
Energy: 2.076647095866553
Energy: 2.095127418715908
Energy: 2.372552106625619
Energy: 1.9707911196848842
Energy: 2.372552106625619
Energy: 2.095127418715908
Energy: 2.372552106625619
Energy: 2.057750929504353
Energy: 2.392277424615229
Energy: 1.9729049791979865
Energy: 2.392277424616321
Energy: 2.057750929505445
Energy: 2.392277424615229
Energy: 2.057829651124413
Energy: 2.0584683624748963
Energy: 2.173016793550768
Energy: 2.0584683624748963
Energy: 2.057829651124413
Energy: 2.0584683624748963
Energy: 2.0723699076853817
Energy: 2.2933653098039315
Energy: 2.001206413642916
Energy: 2.2933653098039315
Energy: 2.0723699076853817
Energy: 2.2933653098039315
Energy: 2.047125900260258
Energy: 2.0577303012775885
Energy: 1.9801397091969992
Energy: 2.0577303012775885
Energy: 2.047125900260258
Energy: 2.0577303012775885
Energy: 2.0664485893161864
Energy: 2.387365016963642
Energy: 1.9966112561579674
Energy: 2.387365016963642
Energy: 2.0664485893161864
Energy: 2.387365016963642
Energy: 2.071332396310699
Energy: 2.334938025767627
Energy: 1.97966640597836
Energy: 2.334938025767627
Energy: 2.071332396310699
Energy: 2.334938025767627
Energy: 2.0811595701528334
Energy: 2.34755055522265
Energy: 2.1489221631930593
Energy: 2.3475505552215576
Energy: 2.0811595701528334
Energy: 2.3475505552215576
Energy: 2.0469799225912735
Energy: 2.0755629682476386
Energy: 1.9901767346171773
Energy: 2.0755629682476386
Energy: 2.0469799225912735
Energy: 2.0755629682476386
Energy: 2.0380061240119827
Energy: 2.5096611591849665
Energy: 2.1593454865456865
Energy: 2.5096611591849665
Energy: 2.0380061240119827
Energy: 2.5096611591849665
Energy: 2.0359914305536786
Energy: 2.067329430119609
Energy: 2.175321153031146
Energy: 2.067329430119609
Energy: 2.0359914305536786
Energy: 2.067329430119609
Energy: 2.038221914330808
Energy: 2.0384119418265194
Energy: 2.160611565675832
Energy: 2.0384119418265194
Energy: 2.038221914330808
Energy: 2.0384119418265194
Energy: 2.0354344928131933
Energy: 2.0475687754501704
Energy: 2.1487180910029724
Energy: 2.0475687754501704
Energy: 2.0354344928121004
Energy: 2.0475687754501704
Energy: 2.2224188020469144
Energy: 2.0407658379675753
Energy: 1.9901744787790732
Energy: 2.0407658379675753
Energy: 2.2224188020469144
Energy: 2.0407658379675753
Energy: 2.0768483092725916
Energy: 2.3472862185125174
Energy: 2.1645789859131
Energy: 2.3472862185125174
Energy: 2.0768483092725916
Energy: 2.3472862185125174
Energy: 2.0710280824857654
Energy: 2.3531312233193025
Energy: 2.07040711150822
Energy: 2.3531312233193025
Energy: 2.0710280824857654
Energy: 2.3531312233193025
Energy: 2.331573529359338
Energy: 2.392210769564539
Energy: 1.9900277870276504
Energy: 2.392210769564539
Energy: 2.3315735293582454
Energy: 2.392210769564539
Energy: 2.039604775716215
Energy: 2.0422886042032067
Energy: 2.070918909036966
Energy: 2.0422886042032067
Energy: 2.039604775716215
Energy: 2.0422886042032067
Energy: 2.0459777891686235
Energy: 2.2941756756108544
Energy: 1.9936562798123727
Energy: 2.294175675609762
Energy: 2.0459777891686235
Energy: 2.294175675609762
Energy: 2.0395086872873236
Energy: 2.0629217156369797
Energy: 2.1777247024390647
Energy: 2.0629217156369797
Energy: 2.0395086872873236
Energy: 2.0629217156369797

minimum gb energy = 1.9707911196848842 eV
minimum distance =  2.45793248844556 Angstroms
sigma value = 27


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

Energy: 2.1258052858895997
Energy: 2.0063203080967056
Energy: 2.424029676209278
Energy: 2.0063203080967056
Energy: 2.1258052858895997
Energy: 2.0063203080967056
Energy: 1.9801021652769737
Energy: 1.9976389979204632
Energy: 1.9684680892868542
Energy: 1.9976389979204632
Energy: 1.9801021652769737
Energy: 1.9976389979204632
Energy: 2.018153946445309
Energy: 2.021870463848511
Energy: 1.9684215349993033
Energy: 2.021870463848511
Energy: 2.018153946445309
Energy: 2.021870463848511
Energy: 1.9687270683801694
Energy: 2.313285959989909
Energy: 2.4694546681434417
Energy: 2.313285959989909
Energy: 1.9687270683801694
Energy: 2.313285959989909
Energy: 1.980801120826175
Energy: 2.444448426601182
Energy: 1.9692449049011582
Energy: 2.444448426601182
Energy: 1.980801120826175
Energy: 2.444448426601182
Energy: 2.0186853047464743
Energy: 2.0201438231610194
Energy: 2.0191146098174633
Energy: 2.0201438231610194
Energy: 2.0186853047464743
Energy: 2.0201438231610194
Energy: 1.9706873114591845
Energy: 2.337291110780574
Energy: 1.969084728740979
Energy: 2.337291110780574
Energy: 1.9706873114591845
Energy: 2.337291110780574
Energy: 1.969663540676172
Energy: 2.488720004149648
Energy: 1.9697982471438178
Energy: 2.488720004149648
Energy: 1.969663540676172
Energy: 2.488720004149648
Energy: 2.091665612755151
Energy: 2.267567922099064
Energy: 2.252775320326723
Energy: 2.267567922099064
Energy: 2.091665612755151
Energy: 2.267567922099064
Energy: 1.969439375243344
Energy: 2.0080563945864442
Energy: 2.0084805648313506
Energy: 2.0080563945864442
Energy: 1.969439375243344
Energy: 2.0080563945864442
Energy: 1.969356840286295
Energy: 2.00922500284484
Energy: 2.0086050602667984
Energy: 2.00922500284484
Energy: 1.969356840286295
Energy: 2.00922500284484
Energy: 2.091701792804996
Energy: 2.266901527183013
Energy: 2.2530780578368295
Energy: 2.266901527183013
Energy: 2.091701792804996
Energy: 2.266901527183013
Energy: 1.969664581225111
Energy: 2.488676179327966
Energy: 1.9697676699612612
Energy: 2.488676179327966
Energy: 1.969664581225111
Energy: 2.488676179327966
Energy: 1.9699163749329778
Energy: 2.337272832050183
Energy: 1.9689784772874694
Energy: 2.337272832050183
Energy: 1.9699163749329778
Energy: 2.337272832050183
Energy: 2.018683894130111
Energy: 2.020230071997881
Energy: 2.0190702916431187
Energy: 2.020230071997881
Energy: 2.018683894130111
Energy: 2.020230071997881
Energy: 1.980106379622967
Energy: 2.444448426601182
Energy: 1.9689868731175058
Energy: 2.444448426601182
Energy: 1.980106379622967
Energy: 2.444448426601182
Energy: 1.9687173136791696
Energy: 2.313035233011954
Energy: 2.052765481502281
Energy: 2.313035233011954
Energy: 1.9687173136791696
Energy: 2.313035233011954
Energy: 2.018166296633668
Energy: 2.022044455393131
Energy: 1.968862500442775
Energy: 2.022044455393131
Energy: 2.018166296633668
Energy: 2.022044455393131
Energy: 1.979810978740629
Energy: 1.9975074690873245
Energy: 1.9685047240206388
Energy: 1.9975074690873245
Energy: 1.979810978740629
Energy: 1.9975074690873245
Energy: 2.1258052858895997
Energy: 2.0063203080967056
Energy: 2.3506778525947576
Energy: 2.0063203080967056
Energy: 2.1258052858895997
Energy: 2.0063203080967056
Energy: 1.9801021652769737
Energy: 1.9976389979204632
Energy: 1.9684680892868542
Energy: 1.9976389979204632
Energy: 1.9801021652769737
Energy: 1.9976389979204632
Energy: 2.018153946445309
Energy: 2.021870463848511
Energy: 1.96842153500851
Energy: 2.021870463848511
Energy: 2.018153946445309
Energy: 2.021870463848511
Energy: 1.9687270683801694
Energy: 2.313285959989909
Energy: 2.4694546681434417
Energy: 2.313285959989909
Energy: 1.9687270683801694
Energy: 2.313285959989909
Energy: 1.980801120826175
Energy: 2.444448426601182
Energy: 1.9692449049011582
Energy: 2.444448426601182
Energy: 1.980801120826175
Energy: 2.444448426601182
Energy: 2.0186853047464743
Energy: 2.0201438231610194
Energy: 2.0191146098174633
Energy: 2.0201438231610194
Energy: 2.0186853047464743
Energy: 2.0201438231610194

minimum gb energy = 1.9684215349993033 eV
minimum distance =  2.47692037647683 Angstroms
sigma value = 19


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

Energy: 2.034650983100816
Energy: 1.9196941922214665
Energy: 2.194629929148113
Energy: 1.9196941922206716
Energy: 2.034650983100816
Energy: 1.9196941922206716
Energy: 2.019715032411319
Energy: 1.9414201386048167
Energy: 1.871847647093807
Energy: 1.9414201386040217
Energy: 2.019715032411319
Energy: 1.9414201386048167
Energy: 1.9457524167623415
Energy: 2.3098390305808985
Energy: 1.8730873365524585
Energy: 2.3098390305808985
Energy: 1.9457524167623415
Energy: 2.3098390305808985
Energy: 2.0459999254338403
Energy: 2.243667735262469
Energy: 2.085451321940066
Energy: 2.243667735262469
Energy: 2.0459999254338403
Energy: 2.243667735262469
Energy: 2.000698396420081
Energy: 2.2251109574215673
Energy: 2.0581298035202225
Energy: 2.2251109574215673
Energy: 2.000698396420081
Energy: 2.2251109574215673
Energy: 1.9459153472900816
Energy: 2.2213329382512237
Energy: 2.0650875707180134
Energy: 2.2213329382512237
Energy: 1.9459153472900816
Energy: 2.2213329382512237
Energy: 2.183070127771125
Energy: 2.3551725441928157
Energy: 2.059001308409081
Energy: 2.3551725441928157
Energy: 2.183070127771125
Energy: 2.3551725441928157
Energy: 2.0236173446586294
Energy: 2.220886017322685
Energy: 2.064779725365226
Energy: 2.220886017322685
Energy: 2.0236173446586294
Energy: 2.220886017322685
Energy: 1.999808062464
Energy: 2.354463821607921
Energy: 2.1507244359980398
Energy: 2.3544638216071263
Energy: 1.999808062464795
Energy: 2.3544638216071263
Energy: 2.0071525599400872
Energy: 2.1681328414238696
Energy: 1.8725745925866428
Energy: 2.1681328414238696
Energy: 2.0071525599400872
Energy: 2.1681328414238696
Energy: 2.01909552455427
Energy: 2.2117999276541678
Energy: 1.9191551651782341
Energy: 2.2117999276541678
Energy: 2.01909552455427
Energy: 2.2117999276533733
Energy: 1.8858882624949447
Energy: 1.9196366725267047
Energy: 1.8759390530965523
Energy: 1.9196366725267047
Energy: 1.88588826249415
Energy: 1.9196366725267047
Energy: 1.8830069477853273
Energy: 1.8721143634976476
Energy: 1.8707729460119193
Energy: 1.872114363498442
Energy: 1.8830069477853273
Energy: 1.8721143634976476
Energy: 1.9434273471818022
Energy: 2.202137793898885
Energy: 2.0704030572519354
Energy: 2.202137793898885
Energy: 1.9434273471818022
Energy: 2.202137793898885
Energy: 2.001580784885386
Energy: 2.3583068234384577
Energy: 1.8727885303546439
Energy: 2.3583068234376627
Energy: 2.001580784885386
Energy: 2.3583068234376627
Energy: 1.9997405409974909
Energy: 2.353511354175613
Energy: 1.8742959563708337
Energy: 2.353511354175613
Energy: 1.9997405409982854
Energy: 2.353511354175613
Energy: 1.9463609935028576
Energy: 2.2205744121694955
Energy: 1.8727416514362016
Energy: 2.2205744121694955
Energy: 1.9463609935028576
Energy: 2.2205744121694955
Energy: 1.999432275327853
Energy: 2.200477317028721
Energy: 1.8708876778358199
Energy: 2.200477317028721
Energy: 1.999432275327853
Energy: 2.200477317028721
Energy: 1.9462237700505771
Energy: 2.220460815227697
Energy: 1.8727465808475252
Energy: 2.220460815227697
Energy: 1.9462237700505771
Energy: 2.220460815227697
Energy: 1.9998277778184088
Energy: 2.352799314305374
Energy: 1.874238334768489
Energy: 2.352799314304579
Energy: 1.9998277778184088
Energy: 2.352799314304579
Energy: 2.0017578974856116
Energy: 2.3578419140604834
Energy: 1.87322757866422
Energy: 2.3578419140604834
Energy: 2.0017578974856116
Energy: 2.3578419140604834
Energy: 1.9431464184591078
Energy: 2.2022910339133985
Energy: 2.070888056735008
Energy: 2.2022910339133985
Energy: 1.9431464184591078
Energy: 2.2022910339133985
Energy: 1.8834412358167787
Energy: 1.8713677232899701
Energy: 1.8707470375941098
Energy: 1.8713677232899701
Energy: 1.8834412358167787
Energy: 1.8713677232899701
Energy: 1.8857619453008942
Energy: 1.9203824678414527
Energy: 1.8758881723052194
Energy: 1.9203824678414527
Energy: 1.8857619453008942
Energy: 1.9203824678414527
Energy: 2.0192210807304565
Energy: 2.2117720426355203
Energy: 1.9423615250463853
Energy: 2.2117720426355203
Energy: 2.0192210807304565
Energy: 2.2117720426355203
Energy: 2.00717787326882
Energy: 2.1686447096038086
Energy: 1.8729945469825575
Energy: 2.1686447096038086
Energy: 2.00717787326882
Energy: 2.1686447096038086
Energy: 1.999875857123158
Energy: 2.354606419412331
Energy: 2.1222586614682135
Energy: 2.354606419412331
Energy: 1.999875857123158
Energy: 2.3546064194131264
Energy: 2.024424518661014
Energy: 2.220814541064233
Energy: 2.0652703784348554
Energy: 2.220814541064233
Energy: 2.024424518661014
Energy: 2.220814541064233
Energy: 2.1829576627032012
Energy: 2.355172544192021
Energy: 2.0589362135346603
Energy: 2.355172544192021
Energy: 2.1829576627032012
Energy: 2.355172544192021

minimum gb energy = 1.8707470375941098 eV
minimum distance =  2.4257943578034 Angstroms
sigma value = 101


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

Energy: 2.056515634203294
Energy: 2.175958792345143
Energy: 2.3034212515428347
Energy: 2.175958792345143
Energy: 2.056515634203294
Energy: 2.175958792345143
Energy: 1.8819929537280269
Energy: 2.0348484246885894
Energy: 1.8807690074363463
Energy: 2.0348484246885894
Energy: 1.8819929537280269
Energy: 2.0348484246885894
Energy: 1.9296111358753851
Energy: 2.0231499157919366
Energy: 1.8823313897659775
Energy: 2.023149915784951
Energy: 1.9296111358753851
Energy: 2.023149915784951
Energy: 1.8854722561593575
Energy: 2.1883749427388826
Energy: 2.053579510824768
Energy: 2.2169965299077488
Energy: 1.8854722561593575
Energy: 2.1883749427388826
Energy: 1.875689169562738
Energy: 2.213220199326243
Energy: 1.9294951994510343
Energy: 2.213220199326243
Energy: 1.875689169562738
Energy: 2.213220199326243
Energy: 1.9333557225711469
Energy: 2.2637237552336305
Energy: 1.877890465840254
Energy: 2.2637237552336305
Energy: 1.9333557225711469
Energy: 2.2637237552336305
Energy: 1.929948732285494
Energy: 2.325317624238014
Energy: 1.8756560618140794
Energy: 2.325317624238014
Energy: 1.929948732285494
Energy: 2.325317624238014
Energy: 1.9298785529604519
Energy: 2.309573404585265
Energy: 1.9318489193471238
Energy: 2.325001585540375
Energy: 1.9298785529604519
Energy: 2.260474559410268
Energy: 1.8756786680558497
Energy: 2.2611435109302636
Energy: 1.9298678522999673
Energy: 2.2611435109302636
Energy: 1.8756786680558497
Energy: 2.2611435109302636
Energy: 1.8763600842777741
Energy: 2.260271300661263
Energy: 1.8789626850447634
Energy: 2.260271300661263
Energy: 1.8763600842777741
Energy: 2.260271300661263
Energy: 2.0459520490527976
Energy: 2.232546911056724
Energy: 2.046412019881088
Energy: 2.232546911056724
Energy: 2.0459520490527976
Energy: 2.232546911056724
Energy: 1.8797924086215234
Energy: 2.158941603514333
Energy: 1.878288944751959
Energy: 2.158941603514333
Energy: 1.8797924086215234
Energy: 2.158941603514333
Energy: 1.8822837229678848
Energy: 2.159900907394795
Energy: 1.9622210249189285
Energy: 2.159900907394795
Energy: 1.8822837229678848
Energy: 2.159900907394795
Energy: 2.054414934188122
Energy: 2.036759553285924
Energy: 1.8793046904610602
Energy: 1.917752724172787
Energy: 2.054414934188122
Energy: 2.036759553285924
Energy: 1.8853572656351574
Energy: 2.232404795992104
Energy: 1.87937879791133
Energy: 2.232404795992104
Energy: 1.8853572656351574
Energy: 2.232404795992104
Energy: 1.8861910553476033
Energy: 2.0211759920405292
Energy: 1.9338850740853228
Energy: 2.0211759920405292
Energy: 1.8861910553476033
Energy: 2.0211759920405292
Energy: 1.8755685351564604
Energy: 1.9299948221174776
Energy: 1.8825420773980062
Energy: 1.9299948221174776
Energy: 1.8755685351564604
Energy: 1.9299948221174776
Energy: 1.93253299623632
Energy: 2.1680065354399543
Energy: 1.8773657114009508
Energy: 2.1680065354399543
Energy: 1.93253299623632
Energy: 2.1680065354399543
Energy: 1.8940489988609874
Energy: 2.2660818944459997
Energy: 1.9305094348544871
Energy: 2.2660818944459997
Energy: 1.8940489988609874
Energy: 2.2660818944459997
Energy: 1.8791758430548782
Energy: 2.3567310633182412
Energy: 1.8759243269830161
Energy: 2.3567310633182412
Energy: 1.8791758430548782
Energy: 2.3567310633182412
Energy: 1.9484852349204307
Energy: 2.1684340300911575
Energy: 1.92984411481881
Energy: 2.1684340300911575
Energy: 1.9484852349204307
Energy: 2.1684340300911575
Energy: 2.05940826390783
Energy: 2.2523624022555557
Energy: 1.8761559137225718
Energy: 2.2523624022555557
Energy: 2.05940826390783
Energy: 2.2523624022555557
Energy: 1.929891569433579
Energy: 2.2540021827238648
Energy: 1.8753981179354837
Energy: 2.2540021827238648
Energy: 1.929891569426593
Energy: 2.2540021827238648
Energy: 1.8848866275139073
Energy: 2.2161739584562206
Energy: 2.0711430762858916
Energy: 2.2161739584562206
Energy: 1.8848866275139073
Energy: 2.187282400489044
Energy: 1.8752769611463884
Energy: 2.3421452799560116
Energy: 1.8782048577289718
Energy: 2.3421452799560116
Energy: 1.8752769611463884
Energy: 2.3421452799560116
Energy: 2.0047166706939037
Energy: 2.019549711785883
Energy: 1.8864686582795485
Energy: 2.019549711785883
Energy: 2.0047166706939037
Energy: 2.019549711785883
Energy: 1.8789036709845022
Energy: 1.9003904210918632
Energy: 1.8753315649153592
Energy: 1.9003904210918632
Energy: 1.8789036709845022
Energy: 1.9003904210988491
Energy: 1.8786566942262215
Energy: 1.875475884425568
Energy: 1.8779927982740572
Energy: 1.875475884425568
Energy: 1.8786566942262215
Energy: 1.875475884425568
Energy: 2.1581555432811057
Energy: 1.8772536890735747
Energy: 2.059147446071739
Energy: 1.8772536890735747
Energy: 2.1581555432811057
Energy: 1.8772536890735747
Energy: 1.8765628825717313
Energy: 2.0537418103752074
Energy: 1.8793231802787687
Energy: 2.0537418103752074
Energy: 1.8765628825787173
Energy: 2.0537418103752074
Energy: 1.881745068600849
Energy: 2.169159961497195
Energy: 1.9297171584779278
Energy: 2.169159961497195
Energy: 1.881745068600849
Energy: 2.169159961497195
Energy: 2.0062862816129434
Energy: 2.2551106051221788
Energy: 1.8777696601832612
Energy: 2.2551106051221788
Energy: 2.0062862816129434
Energy: 2.2551106051221788
Energy: 1.874997852388091
Energy: 2.2631461250588334
Energy: 1.9300913254067793
Energy: 2.2631461250588334
Energy: 1.874997852388091
Energy: 2.2631461250588334

minimum gb energy = 1.874997852388091 eV
minimum distance =  2.43933303816937 Angstroms
sigma value = 33


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

Energy: 0.014699281831122053
Energy: 0.01714927418300087
Energy: 2.0561098489644527
Energy: 0.01714927418300087
Energy: 0.014699281831122053
Energy: 0.01714927418300087
Energy: 0.017917888195999765
Energy: 1.6383202128293493
Energy: 0.017917888195999765
Energy: 1.6383202128293493
Energy: 0.017917888195999765
Energy: 1.6383202128293493
Energy: 2.2944845910349114
Energy: 0.01714927418300087
Energy: 0.014699281831122053
Energy: 0.01714927418300087
Energy: 2.2944845910349114
Energy: 0.01714927418300087
Energy: 0.017917888195999765
Energy: 1.6383202128293493
Energy: 0.017917888195999765
Energy: 1.6383202128293493
Energy: 0.017917888195999765
Energy: 1.6383202128293493

minimum gb energy = 0.014699281831122053 eV
minimum distance =  2.71526152897666 Angstroms
sigma value = 1