Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999392986298
cohesive_energy=4.440349230729681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018078205287042744
Energy: 0.018421279983649598
Energy: 1.1757581316475492
Energy: 0.018421279983649598
Energy: 0.018421279983649598
Energy: 1.0729527584460592
Energy: 0.018421279983649598
Energy: 1.0729527584453993
Energy: 1.1757581316475492
Energy: 0.018421279983649598
Energy: 0.018078205287042744
Energy: 0.018421279983649598
Energy: 0.018421279983649598
Energy: 1.0729527584460592
Energy: 0.018421279983649598
Energy: 1.0729527584460592

minimum gb energy = 0.018078205287042744 eV
minimum distance =  2.42249149533563 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.305816959570792
Energy: 1.3629146670719052
Energy: 1.2117689342414786
Energy: 1.3629146670719052
Energy: 1.261597492375413
Energy: 1.3192283409569256
Energy: 1.244443488743167
Energy: 1.3192283409585266
Energy: 1.1852658489556465
Energy: 1.3429987118810904
Energy: 1.2409111521700678
Energy: 1.342998711881891
Energy: 1.228367971324047
Energy: 1.3553455353664405
Energy: 1.2147777171003122
Energy: 1.3553455353664405
Energy: 1.2313779122344444
Energy: 1.3640152302728412
Energy: 1.251054122877878
Energy: 1.3640152302712403
Energy: 1.1972614120016498
Energy: 1.3305224377962226
Energy: 1.1678257768844589
Energy: 1.3305224377938212
Energy: 1.2658627782405134
Energy: 1.343048589384976
Energy: 1.19881717826357
Energy: 1.3430485893825745
Energy: 1.1309953874337553
Energy: 1.364819466956521
Energy: 1.154411517979096
Energy: 1.3648194669573217
Energy: 1.2177297065980806
Energy: 1.2458823714616518
Energy: 1.243284047764745
Energy: 1.245882371462452
Energy: 1.1584942865525507
Energy: 1.3422332810450601
Energy: 1.1224496367090209
Energy: 1.3422332810458601
Energy: 1.2520991805938457
Energy: 1.3337371188424512
Energy: 1.2177055271374695
Energy: 1.333737118844052
Energy: 1.226370209718397
Energy: 1.3651784092508743
Energy: 1.1751148901885629
Energy: 1.3651784092508743
Energy: 1.2411990719848354
Energy: 1.3421349034426235
Energy: 1.2662296646454927
Energy: 1.342134903443424
Energy: 1.2478389138823127
Energy: 1.3481746811099147
Energy: 1.2006372024225638
Energy: 1.3481746811107151
Energy: 1.243489632541447
Energy: 1.3627115595984336
Energy: 1.2411105800057916
Energy: 1.3627115595992343
Energy: 1.244128449760515
Energy: 1.3632104892904084
Energy: 1.2410079361421507
Energy: 1.3632104892928096
Energy: 1.240804664889021
Energy: 1.3429007886509121
Energy: 1.1812325873189582
Energy: 1.3429007886517124
Energy: 1.2444900362952531
Energy: 1.3241026381371055
Energy: 1.2627913757612281
Energy: 1.324102638137906
Energy: 1.1376691881910028
Energy: 1.3640198026159858
Energy: 1.1739380232259837
Energy: 1.3640198026159858
Energy: 1.243211725487932
Energy: 1.2458303887611795
Energy: 1.222827229701767
Energy: 1.2458303887611795
Energy: 1.1623456562010672
Energy: 1.3424873015469092
Energy: 1.1204510905360625
Energy: 1.3424873015469092
Energy: 1.2150277309938802
Energy: 1.2553710514470635
Energy: 1.2446445185118797
Energy: 1.255371051446263
Energy: 1.2286417966985217
Energy: 1.3641478543208585
Energy: 1.1806258789074506
Energy: 1.364147854320058
Energy: 1.2137180116341064
Energy: 1.3424150010123561
Energy: 1.1974099204959687
Energy: 1.3424150010131568
Energy: 1.1990334465754147
Energy: 1.3278552111016029
Energy: 1.2661820552833245
Energy: 1.327855211100002
Energy: 1.2356135392586056
Energy: 1.3652331312750765
Energy: 1.1798767631185252
Energy: 1.3652331312750765
Energy: 1.2279336704643622
Energy: 1.3257882500889058
Energy: 1.2174940796567895
Energy: 1.3257882500921077
Energy: 1.1789220638970341
Energy: 1.3420693209552224
Energy: 1.2789504256831539
Energy: 1.3420693209544219
Energy: 1.260586199328701
Energy: 1.3165724564586045
Energy: 1.236005629559176
Energy: 1.316572456459405
Energy: 1.302862972003166
Energy: 1.3635190228710008
Energy: 1.2286104457944211
Energy: 1.3635190228702005
Energy: 1.2661516442604774
Energy: 1.3334193725712271
Energy: 1.2412079281117223
Energy: 1.3334193725696262
Energy: 1.214279246373191
Energy: 1.3436041930418063
Energy: 1.2485431147751083
Energy: 1.3436041930410059
Energy: 1.2310877990143394
Energy: 1.3586305793901672
Energy: 1.2148205136251145
Energy: 1.3586305793885662

minimum gb energy = 1.1204510905360625 eV
minimum distance =  2.22358981305581 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.38086832291686
Energy: 1.381574593040449
Energy: 1.3227508171100697
Energy: 1.3815745930422743
Energy: 1.2857043953531015
Energy: 1.398050274160676
Energy: 1.2883310602383031
Energy: 1.398050274160676
Energy: 1.2270412005015223
Energy: 1.3662273544441457
Energy: 1.290970390972015
Energy: 1.3662273544441457
Energy: 1.217967907455044
Energy: 1.2650386379255243
Energy: 1.2427935372089725
Energy: 1.2650386379255243
Energy: 1.2176353543249154
Energy: 1.4159988641996295
Energy: 1.2676664687927053
Energy: 1.4159988642005419
Energy: 1.294052743647904
Energy: 1.4162597110869188
Energy: 1.2426483447067898
Energy: 1.4162597110869188
Energy: 1.283739315214345
Energy: 1.2641901047022266
Energy: 1.2361090762368638
Energy: 1.2641901047022266
Energy: 1.1631116679224858
Energy: 1.3657742939977682
Energy: 1.2051837568730097
Energy: 1.3657742939977682
Energy: 1.2363829935728832
Energy: 1.3129081800363815
Energy: 1.287389519830474
Energy: 1.3129081800363815
Energy: 1.2164897176097866
Energy: 1.3651503052655978
Energy: 1.2158669449122188
Energy: 1.3651503052655978
Energy: 1.2842745450168678
Energy: 1.296141473158828
Energy: 1.2925514658666537
Energy: 1.296141473158828
Energy: 1.1969779983135411
Energy: 1.429700687103474
Energy: 1.2760161403034727
Energy: 1.429700687103474
Energy: 1.3079238541452956
Energy: 1.4114915906637386
Energy: 1.2536716460950663
Energy: 1.4114915906637386
Energy: 1.3144166775498547
Energy: 1.4114986718098521
Energy: 1.2521475348507483
Energy: 1.4114986718098521
Energy: 1.1969625074585502
Energy: 1.4293080402534704
Energy: 1.2915934904873705
Energy: 1.4293080402534704
Energy: 1.283810044365753
Energy: 1.2961936039936757
Energy: 1.287317489109538
Energy: 1.296193603992763
Energy: 1.2164937858322005
Energy: 1.3644108381156408
Energy: 1.190737204588759
Energy: 1.3644108381156408
Energy: 1.236452034587441
Energy: 1.3129586588083861
Energy: 1.2873337548133494
Energy: 1.3129586588083861
Energy: 1.1631129585502091
Energy: 1.3660332801717339
Energy: 1.210264358828644
Energy: 1.3660332801717339
Energy: 1.2837285090135653
Energy: 1.264409406647043
Energy: 1.2434642984905107
Energy: 1.264409406647043
Energy: 1.2940329507769046
Energy: 1.4165609061134044
Energy: 1.2071498682110973
Energy: 1.4165609061124917
Energy: 1.2176624685863469
Energy: 1.4153323215514766
Energy: 1.2307543009697273
Energy: 1.4153323215514766
Energy: 1.2176860609835805
Energy: 1.264673205145951
Energy: 1.2360922507753151
Energy: 1.264673205145951
Energy: 1.2271547854116442
Energy: 1.3664642259247046
Energy: 1.2879814125991893
Energy: 1.3664642259247046
Energy: 1.2857824976298788
Energy: 1.3979022525879412
Energy: 1.288529269451291
Energy: 1.3979022525879412
Energy: 1.38086832291686
Energy: 1.3815745930422743
Energy: 1.2795584547754337
Energy: 1.3815745930422743
Energy: 1.2857043953531015
Energy: 1.398050274160676
Energy: 1.2883310602383031
Energy: 1.398050274160676
Energy: 1.2270412005024354
Energy: 1.3662273544441457
Energy: 1.2762375066419813
Energy: 1.3662273544441457
Energy: 1.217967907455044
Energy: 1.2650386379255243
Energy: 1.2329438570251032
Energy: 1.2650386379255243

minimum gb energy = 1.1631116679224858 eV
minimum distance =  2.2365613256061 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.3274017213579894
Energy: 1.5063225711381911
Energy: 1.3998981668859767
Energy: 1.5063225711371302
Energy: 1.2886939822436232
Energy: 1.4100925042591772
Energy: 1.2893715780336017
Energy: 1.4100925042591772
Energy: 1.2613201294655538
Energy: 1.5540362173866926
Energy: 1.29546626535382
Energy: 1.5540362173866926
Energy: 1.2808321350627963
Energy: 1.3162345486817382
Energy: 1.275802783613865
Energy: 1.3162345486817382
Energy: 1.2734796138687086
Energy: 1.3851434988859546
Energy: 1.3458524699263599
Energy: 1.3851434988859546
Energy: 1.3782928583066958
Energy: 1.5561742641969571
Energy: 1.2777905336848714
Energy: 1.5561742641969571
Energy: 1.9419902701957956
Energy: 1.3006341014673242
Energy: 1.3161527361621672
Energy: 1.300634101466263
Energy: 1.4345013457540967
Energy: 1.5064290513434626
Energy: 1.2298676643147322
Energy: 1.5064290513434626
Energy: 1.3159237386831628
Energy: 1.4170463436131748
Energy: 1.2889468890691398
Energy: 1.417046343615297
Energy: 1.2903069760454473
Energy: 1.5560404471673983
Energy: 1.2547066752776515
Energy: 1.5560404471684595
Energy: 1.3456306083514067
Energy: 1.5081307104443171
Energy: 1.2904266786635936
Energy: 1.5081307104443171
Energy: 1.276133542210111
Energy: 1.5060614268773587
Energy: 1.28970602669581
Energy: 1.5060614268773587
Energy: 1.2950509086461937
Energy: 1.440727317124563
Energy: 1.2563407482490403
Energy: 1.4407273171235018
Energy: 1.3171288720218892
Energy: 1.3925920949164545
Energy: 1.288522342897213
Energy: 1.3925920949164545
Energy: 1.3185347675176529
Energy: 1.5067916029795472
Energy: 1.2269153348666104
Energy: 1.506791602980608
Energy: 1.2887569275008572
Energy: 1.2951044470057689
Energy: 1.2741009196178645
Energy: 1.29510444700683
Energy: 1.2063198025048076
Energy: 1.5530966978897784
Energy: 1.2060051098945805
Energy: 1.5530966978897784
Energy: 1.2757554287878214
Energy: 1.2958759407212481
Energy: 1.2802880107505659
Energy: 1.2958759407212481
Energy: 1.2877905516486883
Energy: 1.319757669298414
Energy: 1.2734808839148202
Energy: 1.3197576693005357
Energy: 1.275912571832039
Energy: 1.5534783463377952
Energy: 1.2900465339004894
Energy: 1.5534783463377952
Energy: 1.3172752112964792
Energy: 1.4080217090737368
Energy: 1.2888215844475532
Energy: 1.4080217090737368
Energy: 1.328927814037414
Energy: 1.5057921110878203
Energy: 1.369447437975667
Energy: 1.5057921110867594
Energy: 1.2886176201550263
Energy: 1.2959206785446935
Energy: 1.2900612814902745
Energy: 1.2959206785489372
Energy: 1.2610116876507567
Energy: 1.5544566512850548
Energy: 1.2904293008954542
Energy: 1.554456651286116
Energy: 1.2896717365551225
Energy: 1.3206078809177624
Energy: 1.274026024647248
Energy: 1.3206078809177624

minimum gb energy = 1.2060051098945805 eV
minimum distance =  2.24508489904348 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.3850969595306255
Energy: 1.3845540743519518
Energy: 1.405895890215557
Energy: 1.3845540743519518
Energy: 1.3671400103895115
Energy: 1.4883760649865647
Energy: 1.3761814713522345
Energy: 1.4883760649865647
Energy: 1.261095997869395
Energy: 1.3861302861699567
Energy: 1.3556897231680485
Energy: 1.3861302861699567
Energy: 1.386510721575204
Energy: 1.5166253293433725
Energy: 1.29322826426942
Energy: 1.5166253293433725
Energy: 1.4715115869975006
Energy: 1.4877186290128748
Energy: 1.358588891133062
Energy: 1.4877186290128748
Energy: 1.2447215422517535
Energy: 1.3861805635451327
Energy: 1.293698214715218
Energy: 1.3861805635451327
Energy: 1.386400762554724
Energy: 1.2936165854947828
Energy: 1.2942715019276814
Energy: 1.2936165854947828
Energy: 1.3790104656329285
Energy: 1.3861653831948118
Energy: 1.2795944395771235
Energy: 1.3861653831948118
Energy: 1.3873183477831064
Energy: 1.4881394578435667
Energy: 1.3756665904053091
Energy: 1.4881394578435667
Energy: 1.3861903635267263
Energy: 1.3846882899791633
Energy: 1.2932858226989257
Energy: 1.3846882899791633
Energy: 1.314207712055821
Energy: 1.4807379490253318
Energy: 1.37353186289974
Energy: 1.4807379490253318
Energy: 1.386390084686041
Energy: 1.4487773207288814
Energy: 1.2929482651738164
Energy: 1.4487773207288814
Energy: 1.2447647327380242
Energy: 1.384554262270383
Energy: 1.3199908885549876
Energy: 1.384554262270383
Energy: 1.37666051965756
Energy: 1.3876930715723306
Energy: 1.3768460806321856
Energy: 1.3876930715723306
Energy: 1.2447768486788746
Energy: 1.384532254600731
Energy: 1.3259115491519393
Energy: 1.384532254600731
Energy: 1.3862889071689029
Energy: 1.4486937774608764
Energy: 1.293198044872276
Energy: 1.448693777462142
Energy: 1.3140567847825535
Energy: 1.4807554929290008
Energy: 1.3181443780690816
Energy: 1.4807554929290008
Energy: 1.3864165967969706
Energy: 1.3846617667063235
Energy: 1.2933596775337977
Energy: 1.3846617667063235
Energy: 1.3873674707367307
Energy: 1.4880345006400897
Energy: 1.3128885971292976
Energy: 1.4880345006400897
Energy: 1.3791235876352248
Energy: 1.3861263396214816
Energy: 1.279836666577575
Energy: 1.3861263396214816
Energy: 1.3862497974614552
Energy: 1.293596241549724
Energy: 1.2942628065317539
Energy: 1.293596241549724

minimum gb energy = 1.2447215422517535 eV
minimum distance =  2.32842762437294 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.3245071591909385
Energy: 1.4495112700536448
Energy: 1.5879232235881409
Energy: 1.4495112700395576
Energy: 1.297105080490297
Energy: 1.4999646004516396
Energy: 1.2786103105201143
Energy: 1.4999646004532048
Energy: 1.2790723492238358
Energy: 1.4307577821688864
Energy: 1.2786115259867983
Energy: 1.4307577821673214
Energy: 1.3236091358077728
Energy: 1.3904462915190212
Energy: 1.4622183976634229
Energy: 1.3904462915190212
Energy: 1.4589997435285715
Energy: 1.2973566909759093
Energy: 1.3449325065768698
Energy: 1.2973566909759093
Energy: 1.2792818242131916
Energy: 1.5369518515339604
Energy: 1.280250991193078
Energy: 1.5369518515339604
Energy: 1.33667930680129
Energy: 1.390299747466019
Energy: 1.2788245154889974
Energy: 1.3902997474644536
Energy: 1.4413087928387525
Energy: 1.5032737740222941
Energy: 1.3231641425437892
Energy: 1.5032737740254245
Energy: 1.2785806740884558
Energy: 1.4972533978117317
Energy: 1.300407346676338
Energy: 1.4972533978117317
Energy: 1.5122069255211894
Energy: 1.4325677051892618
Energy: 1.279453161023567
Energy: 1.4325677051892618
Energy: 1.4425925102005839
Energy: 1.3903963315265733
Energy: 1.6170910961170373
Energy: 1.3903963315265733
Energy: 1.2794881124518462
Energy: 1.3426980542594487
Energy: 1.5105462852483245
Energy: 1.3426980542594487
Energy: 1.4453511568014163
Energy: 1.43183448325937
Energy: 1.2784135184704575
Energy: 1.43183448325937
Energy: 1.2786451306417077
Energy: 1.3912168351097103
Energy: 1.3237732327823557
Energy: 1.3912168351097103
Energy: 1.278330844503286
Energy: 1.3908819356196183
Energy: 1.4418132495436455
Energy: 1.3908819356196183
Energy: 1.2963759493758904
Energy: 1.425757414120323
Energy: 1.2794543933700075
Energy: 1.425757414118758
Energy: 1.2793378958805173
Energy: 1.4164451611382511
Energy: 1.5089055650974952
Energy: 1.4164451611382511

minimum gb energy = 1.278330844503286 eV
minimum distance =  2.31311114672021 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.4481014873899205
Energy: 1.4470272142870737
Energy: 1.6681815408565013
Energy: 1.4470272142870737
Energy: 1.5113939672454049
Energy: 1.4183522940757307
Energy: 1.3160735436576376
Energy: 1.4183522940757307
Energy: 1.4833800968843325
Energy: 1.4390240743787976
Energy: 1.316051167873905
Energy: 1.4390240743787976
Energy: 1.3188592009732816
Energy: 1.6162113375637186
Energy: 1.4245555684041102
Energy: 1.6162113375628324
Energy: 1.5259547838651442
Energy: 1.4386616499806513
Energy: 1.3166251928534403
Energy: 1.4386616499806513
Energy: 1.3355919932854001
Energy: 1.3759185702301855
Energy: 1.4801730565245828
Energy: 1.3759185702301855
Energy: 1.3220987999179195
Energy: 1.477784262107675
Energy: 1.316670372266031
Energy: 1.477784262107675
Energy: 1.4807158275575332
Energy: 1.4898819781610015
Energy: 1.3326910042037874
Energy: 1.4898819781610015
Energy: 1.335719484549878
Energy: 1.5263139623388504
Energy: 1.522970206183293
Energy: 1.5263139623388504
Energy: 1.622295588404638
Energy: 1.4237319102735932
Energy: 1.3165098178397694
Energy: 1.4237319102727066
Energy: 1.3221955190519576
Energy: 1.4901960242445744
Energy: 1.4872679436452
Energy: 1.4901960242445744
Energy: 1.33329031248244
Energy: 1.4727087772431615
Energy: 1.3331824118473674
Energy: 1.4727087772422747
Energy: 1.5077339544687633
Energy: 1.4453638572337508
Energy: 1.4446648920646
Energy: 1.445363857234637
Energy: 1.3160248743409126
Energy: 1.509703109575239
Energy: 1.498604427031737
Energy: 1.509703109575239
Energy: 1.4427136572215902
Energy: 1.4747782732661416
Energy: 1.3364484254411273
Energy: 1.4747782732670278
Energy: 1.4827615445345375
Energy: 1.4467680059206205
Energy: 1.4809471048523684
Energy: 1.4467680059223935
Energy: 1.3167125239809643
Energy: 1.4763331336439065
Energy: 1.5197384368546332
Energy: 1.4763331336439065
Energy: 1.479274114284399
Energy: 1.438284926411268
Energy: 1.3355428086162802
Energy: 1.438284926411268
Energy: 1.355742806360249
Energy: 1.5174435919182696
Energy: 1.4174639747098094
Energy: 1.5174435919182696
Energy: 1.3167075905546548
Energy: 1.4916205316535707
Energy: 1.3189843287393368
Energy: 1.4916205316535707
Energy: 1.3988058136066464
Energy: 1.4389477127990005
Energy: 1.4828754913737499
Energy: 1.4389477127990005
Energy: 1.3167321492320223
Energy: 1.5747062348551564
Energy: 1.6215053557847159
Energy: 1.5747062348551564
Energy: 1.5074588646580782
Energy: 1.4911297983052443
Energy: 1.3160911694587727
Energy: 1.4911297983052443
Energy: 1.332818633957697
Energy: 1.4770464314991074
Energy: 1.5002352984162883
Energy: 1.477046431499994
Energy: 1.3332489663511058
Energy: 1.4770798052106981
Energy: 1.4997594728944912
Energy: 1.4770798052106981
Energy: 1.513727934415142
Energy: 1.49152435224263
Energy: 1.318038457441295
Energy: 1.49152435224263
Energy: 1.3166441878596864
Energy: 1.5264113907346326
Energy: 1.6627550245142049
Energy: 1.5264113907346326
Energy: 1.4790693343469232
Energy: 1.3758420279508292
Energy: 1.4844032946040113
Energy: 1.3758420279508292
Energy: 1.614766907305643
Energy: 1.5282109332788576
Energy: 1.3193000963545916
Energy: 1.5282109332788576
Energy: 1.3328196981341853
Energy: 1.5216062539306217
Energy: 1.4806259554503203
Energy: 1.5216062539306217

minimum gb energy = 1.3160248743409126 eV
minimum distance =  2.21682888961387 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.2517459700095774
Energy: 1.251342432276352
Energy: 1.6500398339408313
Energy: 1.251342432276352
Energy: 1.5151693224999752
Energy: 1.3746507035514401
Energy: 1.3213094683231814
Energy: 1.3746507035534812
Energy: 1.2526214288201694
Energy: 1.2508761899256602
Energy: 1.3934982506372984
Energy: 1.2508761899256602
Energy: 1.2525407342289556
Energy: 1.2508632346075665
Energy: 1.473099825787263
Energy: 1.2508632346075665
Energy: 1.515423802205249
Energy: 1.3745352528896284
Energy: 1.3210737229627234
Energy: 1.3745352528875878
Energy: 1.2517459700095774
Energy: 1.251342432276352
Energy: 1.7121030375405635
Energy: 1.251342432276352
Energy: 1.5151693224999752
Energy: 1.3746507035514401
Energy: 1.3937514096742436
Energy: 1.3746507035534812
Energy: 1.2526214288201694
Energy: 1.2508761899256602
Energy: 1.4848171696723826
Energy: 1.2508761899256602
Energy: 1.2525407342289556
Energy: 1.2508632346075665
Energy: 1.4730998257852221
Energy: 1.2508632346075665
Energy: 1.515423802205249
Energy: 1.3745352528875878
Energy: 1.418784450212755
Energy: 1.3745352528896284
Energy: 1.2517459700095774
Energy: 1.251342432276352
Energy: 1.7121030375405635
Energy: 1.251342432276352
Energy: 1.5151693224999752
Energy: 1.3746507035514401
Energy: 1.47295320286783
Energy: 1.3746507035534812
Energy: 1.2526214288201694
Energy: 1.2508761899256602
Energy: 1.4848171696703416
Energy: 1.2508761899256602

minimum gb energy = 1.2508632346075665 eV
minimum distance =  2.29236706151582 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.39129569875368
Energy: 1.575472427979799
Energy: 1.727810621761262
Energy: 1.5754724279805543
Energy: 1.569516285442935
Energy: 1.46159495447579
Energy: 1.3887235313187611
Energy: 1.46159495447579
Energy: 1.3713114282264218
Energy: 1.373728071881286
Energy: 1.387521365051201
Energy: 1.37372807187902
Energy: 1.525385936341795
Energy: 1.6341352687259927
Energy: 1.3894125054288797
Energy: 1.6341352687244821
Energy: 1.5552204170112207
Energy: 1.4613562129842121
Energy: 1.3855901108120323
Energy: 1.4613562129842121
Energy: 1.373549588924599
Energy: 1.3724734983779814
Energy: 1.5348120788389872
Energy: 1.3724734983787368
Energy: 1.7745513539671272
Energy: 1.454587120215507
Energy: 1.3877906607739239
Energy: 1.4545871202147518
Energy: 1.3789539271420728
Energy: 1.4755097679700966
Energy: 1.5383174650658276
Energy: 1.4755097679700966
Energy: 1.3729720211327034
Energy: 1.6562613813346623
Energy: 1.3843783981333595
Energy: 1.6562613813346623
Energy: 1.372630007715911
Energy: 1.4549117791745927
Energy: 1.3868351747852978
Energy: 1.4549117791730823
Energy: 1.3800462183497815
Energy: 1.4787214360631267
Energy: 1.760727455047581
Energy: 1.4787214360623713
Energy: 1.5573755252557113
Energy: 1.5828289606807473
Energy: 1.3780708078333566
Energy: 1.5828289606792363
Energy: 1.3729495448085691
Energy: 1.4777192743187764
Energy: 1.6536226000505
Energy: 1.4777192743187764
Energy: 1.5313277804307373
Energy: 1.5415091820658424
Energy: 1.397524653551616
Energy: 1.5415091820643316
Energy: 1.3833077421305147
Energy: 1.5569021038982742
Energy: 1.5362660103586816
Energy: 1.5569021038975186
Energy: 1.3760727386909064
Energy: 1.6530468729511765
Energy: 1.53290839287249
Energy: 1.6530468729526873
Energy: 1.4585374627450933
Energy: 1.5564824856059476
Energy: 1.3828882357981687
Energy: 1.556482485606703
Energy: 1.3827701158626313
Energy: 1.4550176876452314
Energy: 1.5553721853482358
Energy: 1.4550176876429652
Energy: 1.5415508449894912
Energy: 1.478618802721927
Energy: 1.376128071118766
Energy: 1.4786188027189056
Energy: 1.3793349855501194
Energy: 1.4742826341650084
Energy: 1.4769637284403005
Energy: 1.4742826341650084
Energy: 1.5355568965731619
Energy: 1.6365693498502316
Energy: 1.528284612697325
Energy: 1.6365693498494767
Energy: 1.4857560266789842
Energy: 1.5456471808578474
Energy: 1.372512946299532
Energy: 1.5456471808586028
Energy: 1.384542891176718
Energy: 1.5614726643466106
Energy: 1.3727987761080973
Energy: 1.5614726643481212
Energy: 1.7791435902595492
Energy: 1.4741416732225876
Energy: 1.3782004626091238
Energy: 1.474141673224098
Energy: 1.3881259013518465
Energy: 1.6021311794517092
Energy: 1.6846124246940748
Energy: 1.6021311794509538
Energy: 1.4604006177752842
Energy: 1.3735653523978126
Energy: 1.3713705206324376
Energy: 1.3735653523978126
Energy: 1.4750971155404788
Energy: 1.5608640810370593
Energy: 1.5247613927722363
Energy: 1.5608640810370593
Energy: 1.4061313450531636
Energy: 1.6349187481881235
Energy: 1.524978530815196
Energy: 1.6349187481881235
Energy: 1.459509038212278
Energy: 1.3732863815957235
Energy: 1.3704178545197583
Energy: 1.3732863815964786
Energy: 1.3885593965647
Energy: 1.6025543578989407
Energy: 1.6866395125259168
Energy: 1.6025543578989407
Energy: 1.6834373063794048
Energy: 1.474442036903994
Energy: 1.3774590458784415
Energy: 1.4744420369032387
Energy: 1.388257261003348
Energy: 1.4573274579689988
Energy: 1.371707047429944
Energy: 1.4573274579689988
Energy: 1.3894756576782223
Energy: 1.546794091450351
Energy: 1.3711824103539756
Energy: 1.546794091450351
Energy: 1.5312198058881852
Energy: 1.63767126091801
Energy: 1.5256014726966471
Energy: 1.6376712609157442
Energy: 1.3823570678600483
Energy: 1.6140936774344588
Energy: 1.7740954223011136
Energy: 1.6140936774344588

minimum gb energy = 1.3704178545197583 eV
minimum distance =  2.22431634567082 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4820512702480484
Energy: 1.4797282815864041
Energy: 1.684154704151243
Energy: 1.4797282815864041
Energy: 1.4914100433063315
Energy: 1.521145085378125
Energy: 1.3901367604528452
Energy: 1.521145085378125
Energy: 1.3940447154626332
Energy: 1.3879060305055095
Energy: 1.3893747064246589
Energy: 1.3879060305055095
Energy: 1.3764073501108829
Energy: 1.5995163982837244
Energy: 1.4069717658532843
Energy: 1.5995163982837244
Energy: 1.4583857288032687
Energy: 1.5177369251635342
Energy: 1.3900049159644963
Energy: 1.5177369251635342
Energy: 1.4062164209974608
Energy: 1.3918852760324607
Energy: 1.6419786407109487
Energy: 1.3918852760324607
Energy: 1.75444609747447
Energy: 1.593960130140791
Energy: 1.3929288203596049
Energy: 1.593960130140791
Energy: 1.3804926351323485
Energy: 1.3789475877346198
Energy: 1.6382016610024803
Energy: 1.3789475877334216
Energy: 1.7045056165420982
Energy: 1.3814633371271254
Energy: 1.3855895336789354
Energy: 1.3814633371271254
Energy: 1.3931046359271864
Energy: 1.5067215440463981
Energy: 1.39263212707734
Energy: 1.5067215440463981
Energy: 1.3828177193273095
Energy: 1.3809116541946265
Energy: 1.633173966441802
Energy: 1.3809116541946265
Energy: 1.5504022741520789
Energy: 1.3992339869118635
Energy: 1.3765396173236502
Energy: 1.3992339869130617
Energy: 1.4063193231352158
Energy: 1.490564023939436
Energy: 1.6377444976647777
Energy: 1.490564023939436
Energy: 1.687374717011704
Energy: 1.5797600460457704
Energy: 1.4066608478280755
Energy: 1.5797600460457704
Energy: 1.3795393653379882
Energy: 1.6242102439191255
Energy: 1.628623823645813
Energy: 1.6242102439191255
Energy: 1.6282510635241674
Energy: 1.3796443390206192
Energy: 1.380521810852466
Energy: 1.3796443390206192
Energy: 1.4836993852649518
Energy: 1.480583281489713
Energy: 1.3943425911506686
Energy: 1.480583281489713
Energy: 1.482867860773414
Energy: 1.4807763063167598
Energy: 1.3940760003346573
Energy: 1.4807763063167598
Energy: 1.5426626611368448
Energy: 1.3787676195353695
Energy: 1.3798957943749333
Energy: 1.3787676195353695
Energy: 1.3914134856402864
Energy: 1.521925377857625
Energy: 1.7470102829810212
Energy: 1.521925377857625
Energy: 1.6753276644767061
Energy: 1.3908271561701557
Energy: 1.4069955710417743
Energy: 1.3908271561701557
Energy: 1.40717734975134
Energy: 1.516056731118555
Energy: 1.560189857907715
Energy: 1.516056731118555

minimum gb energy = 1.3764073501108829 eV
minimum distance =  2.24161881648603 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.4210591183244126
Energy: 1.4202381107592892
Energy: 1.699700555213498
Energy: 1.4202381107601363
Energy: 1.551888928649267
Energy: 1.4900469161182957
Energy: 1.3927926780860411
Energy: 1.4900469161191432
Energy: 1.3842321694309
Energy: 1.420798069951622
Energy: 1.419614291354522
Energy: 1.420798069951622
Energy: 1.4316493220592752
Energy: 1.521839091732903
Energy: 1.3919884283737893
Energy: 1.521839091732903
Energy: 1.3842365535283485
Energy: 1.4912834528523267
Energy: 1.418438757269751
Energy: 1.4912834528523267
Energy: 1.3798392934430537
Energy: 1.4218166870317526
Energy: 1.6781935992905543
Energy: 1.4218166870309052
Energy: 1.5615425735879431
Energy: 1.5636746680280411
Energy: 1.4262597783485385
Energy: 1.5636746680280411
Energy: 1.3799507335499777
Energy: 1.4224700827652144
Energy: 1.7322633228593471
Energy: 1.4224700827652144
Energy: 1.5756736622127507
Energy: 1.502037608080609
Energy: 1.3940645817092472
Energy: 1.502037608080609
Energy: 1.3801617395441494
Energy: 1.5318435004407889
Energy: 1.5357246174928936
Energy: 1.5318435004407889
Energy: 1.4260790969753099
Energy: 1.6259163034112922
Energy: 1.4277161989384262
Energy: 1.6259163034112922
Energy: 1.4390662892118997
Energy: 1.4918185132486244
Energy: 1.4349494455205956
Energy: 1.491818513249472
Energy: 1.430064636397582
Energy: 1.4253844035619168
Energy: 1.4343852123506908
Energy: 1.4253844035627643
Energy: 1.4195292130605703
Energy: 1.4104325340437378
Energy: 1.4348609092812157
Energy: 1.4104325340445851
Energy: 1.378062707839918
Energy: 1.642722751793444
Energy: 1.5742248517364095
Energy: 1.642722751793444
Energy: 1.8101696370613114
Energy: 1.4101870573964133
Energy: 1.3990343006659576
Energy: 1.4101870573964133
Energy: 1.3778226286220092
Energy: 1.4917502993444984
Energy: 1.4798432113690188
Energy: 1.4917502993444984
Energy: 1.4062195416502445
Energy: 1.6237943589736699
Energy: 1.434279121428382
Energy: 1.6237943589736699
Energy: 1.3779172949113894
Energy: 1.4230904363225856
Energy: 1.4288325594220819
Energy: 1.4230904363225856
Energy: 1.3798092731796923
Energy: 1.4946032289408422
Energy: 1.4339226636603215
Energy: 1.4946032289408422
Energy: 1.4266946603821247
Energy: 1.6298545046217483
Energy: 1.3942512821985171
Energy: 1.6298545046209008
Energy: 1.3800069148231815
Energy: 1.4208253532173574
Energy: 1.54217595537275
Energy: 1.420825353218205
Energy: 1.6950335744906389
Energy: 1.5027011077232952
Energy: 1.420096250090513
Energy: 1.5027011077232952
Energy: 1.4236730400398538
Energy: 1.4215623361811627
Energy: 1.6759975739242925
Energy: 1.4215623361811627
Energy: 1.4333452574283712
Energy: 1.4953591061626974
Energy: 1.4186489709518575
Energy: 1.4953591061626974
Energy: 1.4307336609016756
Energy: 1.4221358890177864
Energy: 1.42046701684758
Energy: 1.4221358890177864
Energy: 1.3846441044581135
Energy: 1.52496058110826
Energy: 1.5486151431149437
Energy: 1.52496058110826
Energy: 1.4322834047678046
Energy: 1.491675342182293
Energy: 1.3919266414785956
Energy: 1.491675342182293
Energy: 1.383628571792634
Energy: 1.4209505698215334
Energy: 1.5992511309553823
Energy: 1.4209505698215334
Energy: 1.4230524576098786
Energy: 1.4254573414802163
Energy: 1.3929237532961953
Energy: 1.4254573414810638
Energy: 1.3838952088189207
Energy: 1.421330472070183
Energy: 1.6470572402536814
Energy: 1.4213304720710302

minimum gb energy = 1.3778226286220092 eV
minimum distance =  2.22211895957352 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.3763795549066986
Energy: 1.3484435570305482
Energy: 1.582713519333619
Energy: 1.3484435570305482
Energy: 1.3155445813215991
Energy: 1.3809700852554732
Energy: 1.3761762518231413
Energy: 1.3809700852554732
Energy: 1.3752600218045758
Energy: 1.454378947759062
Energy: 1.4800037144655818
Energy: 1.4543789477596198
Energy: 1.3768199921116056
Energy: 1.316821630198554
Energy: 1.377205234125797
Energy: 1.3168216301991442
Energy: 1.3769127566831447
Energy: 1.412559115858945
Energy: 1.31575943947395
Energy: 1.412559115858945
Energy: 1.3549695609567485
Energy: 1.4533393495688613
Energy: 1.354952279492415
Energy: 1.4533393495688613
Energy: 1.394201999201292
Energy: 1.4127020822768288
Energy: 1.3770190313261637
Energy: 1.4127020822768288
Energy: 1.3771044459915744
Energy: 1.3169539228707556
Energy: 1.376825296377172
Energy: 1.3169539228707556
Energy: 1.480028695034714
Energy: 1.4542423293399203
Energy: 1.37529844342546
Energy: 1.4542423293402156

minimum gb energy = 1.3155445813215991 eV
minimum distance =  2.28217407602145 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.3659868091560912
Energy: 1.3555987345764429
Energy: 1.557558039432322
Energy: 1.355598734578044
Energy: 1.5098515016889535
Energy: 1.4354605913851102
Energy: 1.286588061938938
Energy: 1.4354605913859109
Energy: 1.3020907947405054
Energy: 1.347775993077198
Energy: 1.5468249590599947
Energy: 1.3477759930755968
Energy: 1.3042879874885536
Energy: 1.4217652096060875
Energy: 1.328412439639046
Energy: 1.4217652096060875
Energy: 1.314035173649734
Energy: 1.4334326214020712
Energy: 1.5461275621389927
Energy: 1.4334326214020712
Energy: 1.3368331395634596
Energy: 1.3627784232364437
Energy: 1.3084188918044442
Energy: 1.3627784232372442
Energy: 1.3061385154344098
Energy: 1.443366583456608
Energy: 1.3055698851241986
Energy: 1.4433665834582092
Energy: 1.31633874604089
Energy: 1.3663138175946494
Energy: 1.3041001035616002
Energy: 1.3663138175954501
Energy: 1.3258271299562219
Energy: 1.426227030781899
Energy: 1.2961478676412466
Energy: 1.426227030781899
Energy: 1.3361513827214204
Energy: 1.426968200026256
Energy: 1.3070839578459035
Energy: 1.4269682000254555
Energy: 1.3174364498630258
Energy: 1.3652972064454314
Energy: 1.29339403789367
Energy: 1.365297206444631
Energy: 1.3036874195356627
Energy: 1.3694887843110495
Energy: 1.4892372357686203
Energy: 1.3694887843118502
Energy: 1.352491541482572
Energy: 1.3613277093027427
Energy: 1.3486305431521708
Energy: 1.3613277093035434
Energy: 1.3143517506241527
Energy: 1.3617731389493293
Energy: 1.3614933811400631
Energy: 1.3617731389493293
Energy: 1.6359468022815853
Energy: 1.4252679860013011
Energy: 1.30264831172121
Energy: 1.4252679860013011
Energy: 1.3302611359799206
Energy: 1.3370141839969716
Energy: 1.528224615142498
Energy: 1.3370141839961711
Energy: 1.5536452483795913
Energy: 1.4331848851659337
Energy: 1.307780073438883
Energy: 1.4331848851667344
Energy: 1.3256557391814137
Energy: 1.3617974996098223
Energy: 1.4362380495326486
Energy: 1.3617974996090219
Energy: 1.3232517157412789
Energy: 1.4447947772839957
Energy: 1.3112087431031263
Energy: 1.4447947772831953
Energy: 1.2981804862945652
Energy: 1.4215636963919942
Energy: 1.3436745111297392
Energy: 1.4215636963919942
Energy: 1.2866021502870606
Energy: 1.363196073511481
Energy: 1.3316284433978889
Energy: 1.363196073513082
Energy: 1.3240778080662616
Energy: 1.4299433036653593
Energy: 1.3250624375808546
Energy: 1.4299433036653593
Energy: 1.2914814290196077
Energy: 1.36330465864166
Energy: 1.2880081236756067
Energy: 1.36330465864166
Energy: 1.4721701192050398
Energy: 1.3679875874768412
Energy: 1.2988880048645128
Energy: 1.3679875874744396
Energy: 1.478862109918278
Energy: 1.3447490180211268
Energy: 1.2867454595929806
Energy: 1.3447490180187254
Energy: 1.343061711673154
Energy: 1.3619141688701102
Energy: 1.3152428821063595
Energy: 1.3619141688709107
Energy: 1.2913156260816578
Energy: 1.411123197092418
Energy: 1.419654877407522
Energy: 1.411123197094019
Energy: 1.3525100284150675
Energy: 1.4010584334063068
Energy: 1.3285276707291211
Energy: 1.4010584334063068
Energy: 1.3032983885132243
Energy: 1.4357332102453704
Energy: 1.4479219613291021
Energy: 1.4357332102453704
Energy: 1.5454188060957237
Energy: 1.361426181614122
Energy: 1.3232353409127844
Energy: 1.361426181615723
Energy: 1.307423016202738
Energy: 1.3440737970755434
Energy: 1.4302120811130306
Energy: 1.344073797074743
Energy: 1.5480328563713375
Energy: 1.3930790910463648
Energy: 1.3024763727203956
Energy: 1.3930790910455644
Energy: 1.3273850521283788
Energy: 1.3645612448356113
Energy: 1.2895531828525146
Energy: 1.3645612448348108

minimum gb energy = 1.286588061938938 eV
minimum distance =  2.225166408474 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.3037727828109686
Energy: 1.303086136318373
Energy: 1.5067520421313885
Energy: 1.3030861363172663
Energy: 1.29956168260528
Energy: 1.3278677961594316
Energy: 1.2419053139402056
Energy: 1.3278677961605385
Energy: 1.229614914038591
Energy: 1.3028860277530967
Energy: 1.4618102260137416
Energy: 1.30288602775199
Energy: 1.262552672613596
Energy: 1.392217994108812
Energy: 1.2437040644726274
Energy: 1.3922179941099189
Energy: 1.2275473754203186
Energy: 1.4406199206755044
Energy: 1.2638958458344862
Energy: 1.4406199206755044
Energy: 1.2253478880882738
Energy: 1.308596437650023
Energy: 1.243751296541225
Energy: 1.308596437650023
Energy: 1.2279716864794903
Energy: 1.44066059686888
Energy: 1.2711907557192619
Energy: 1.4406605968699866
Energy: 1.2275202068377224
Energy: 1.308022293372571
Energy: 1.3179943455870733
Energy: 1.308022293372571
Energy: 1.302573313179133
Energy: 1.3023946790959757
Energy: 1.304183149724847
Energy: 1.3023946790948688
Energy: 1.3026876139491415
Energy: 1.302409053948713
Energy: 1.3175698992891016
Energy: 1.302409053948713
Energy: 1.227469227956833
Energy: 1.308236100408579
Energy: 1.3276889425465788
Energy: 1.308236100408579
Energy: 1.227862712075936
Energy: 1.4406405924357168
Energy: 1.2743219032506914
Energy: 1.4406405924357168
Energy: 1.2253620739076552
Energy: 1.308738157197447
Energy: 1.2437057246888903
Energy: 1.308738157197447
Energy: 1.2278131126883554
Energy: 1.4403179741821686
Energy: 1.4617221718926667
Energy: 1.4403179741810617
Energy: 1.2622040016089893
Energy: 1.3922129111544501
Energy: 1.243512176974889
Energy: 1.3922129111544501
Energy: 1.2296187521798203
Energy: 1.3028311079033048
Energy: 1.3654734142383687
Energy: 1.302831107902198
Energy: 1.2998260255745522
Energy: 1.3278190312155589
Energy: 1.2419549144894069
Energy: 1.3278190312144522
Energy: 1.3037727828098615
Energy: 1.303086136318373
Energy: 1.5267971576983108
Energy: 1.3030861363172663
Energy: 1.2995616826030667
Energy: 1.3278677961605385
Energy: 1.2419053139402056
Energy: 1.3278677961616452
Energy: 1.229614914038591
Energy: 1.30288602775199
Energy: 1.6818859980356011
Energy: 1.30288602775199
Energy: 1.262552672612489
Energy: 1.392217994108812
Energy: 1.2437040644737343
Energy: 1.3922179941099189
Energy: 1.2275473754203186
Energy: 1.4406199206743977
Energy: 1.2504521339644852
Energy: 1.4406199206755044
Energy: 1.2253478880882738
Energy: 1.308596437650023
Energy: 1.243751296541225
Energy: 1.308596437650023
Energy: 1.2279716864794903
Energy: 1.44066059686888
Energy: 1.2711907557192619
Energy: 1.4406605968699866

minimum gb energy = 1.2253478880882738 eV
minimum distance =  2.24477920538479 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.295620521621486
Energy: 1.2948507442578177
Energy: 1.501498468260565
Energy: 1.2948507442571338
Energy: 1.4522904830079644
Energy: 1.277529564130994
Energy: 1.2503032362882764
Energy: 1.2775295641378348
Energy: 1.2450833317227608
Energy: 1.2764043827782074
Energy: 1.5238888072125716
Energy: 1.2764043827782074
Energy: 1.2961807160897547
Energy: 1.235245906203097
Energy: 1.2369666215800657
Energy: 1.2352459062037808
Energy: 1.2351756959690798
Energy: 1.3869414203388264
Energy: 1.277551708080591
Energy: 1.3869414203388264
Energy: 1.2303924624293276
Energy: 1.259906298445255
Energy: 1.2612004444376492
Energy: 1.2599062984445708
Energy: 1.2518858586589285
Energy: 1.3611191452905722
Energy: 1.2806243123839105
Energy: 1.3611191452905722
Energy: 1.2292054528436807
Energy: 1.3466593605564512
Energy: 1.2376063205187418
Energy: 1.3466593605564512
Energy: 1.2898572826161414
Energy: 1.3463959316533554
Energy: 1.2887174331012101
Energy: 1.3463959316533554
Energy: 1.275928408822561
Energy: 1.3481212219611227
Energy: 1.249643622125328
Energy: 1.3481212219618066
Energy: 1.2449733873581166
Energy: 1.3158474748974152
Energy: 1.2402741003375235
Energy: 1.3158474748980993
Energy: 1.2482173948703854
Energy: 1.3531479000669966
Energy: 1.2365741944278479
Energy: 1.3531479000669966
Energy: 1.2277728879053826
Energy: 1.3325340101602994
Energy: 1.2489389330443728
Energy: 1.3325340101609835
Energy: 1.2430924562125898
Energy: 1.3848823918016449
Energy: 1.2946534929909361
Energy: 1.3848823918016449
Energy: 1.2272313411021785
Energy: 1.2503454454876353
Energy: 1.3066703020464645
Energy: 1.2503454454862672
Energy: 1.2454435077222408
Energy: 1.2777739781271784
Energy: 1.2642651661572988
Energy: 1.2777739781271784
Energy: 1.2513880364762957
Energy: 1.2437039337812754
Energy: 1.2362409456749794
Energy: 1.2437039337812754
Energy: 1.2371499518057731
Energy: 1.4092627981044201
Energy: 1.2499008897541923
Energy: 1.4092627981044201
Energy: 1.4581704544728515
Energy: 1.3586027825543967
Energy: 1.2467557446525201
Energy: 1.3586027825543967
Energy: 1.2585810360845615
Energy: 1.2765245503337264
Energy: 1.3054536675026753
Energy: 1.2765245503337264
Energy: 1.243811686363518
Energy: 1.265516026625528
Energy: 1.2361324624192491
Energy: 1.2655160266262124
Energy: 1.2385450174982333
Energy: 1.296633463667006
Energy: 1.3983020882591755
Energy: 1.296633463667006
Energy: 1.2796307976387946
Energy: 1.2553978573780145
Energy: 1.2602285141169356
Energy: 1.2553978573759623
Energy: 1.2457369532357605
Energy: 1.3636651854678317
Energy: 1.464362812289923
Energy: 1.3636651854678317
Energy: 1.2726209876033412
Energy: 1.296649376330477
Energy: 1.2384898514978278
Energy: 1.296649376330477
Energy: 1.2361646021217003
Energy: 1.3886270044775275
Energy: 1.264496615900618
Energy: 1.3886270044768436
Energy: 1.4371839268490254
Energy: 1.3365780733349992
Energy: 1.2466135927963578
Energy: 1.3365780733356833
Energy: 1.3124755265717993
Energy: 1.488721421694236
Energy: 1.2268377628800415
Energy: 1.488721421694236
Energy: 1.2947515375566017
Energy: 1.384561071681209
Energy: 1.236475929341962
Energy: 1.3845610716805246
Energy: 1.2367038210080243
Energy: 1.3327386101414918
Energy: 1.298165227070123
Energy: 1.3327386101421757
Energy: 1.247510211261891
Energy: 1.3844762099925434
Energy: 1.2462863054166962
Energy: 1.3844762099925434
Energy: 1.2262871475238617
Energy: 1.3198358900839844
Energy: 1.2404681016706174
Energy: 1.3198358900846685
Energy: 1.2467225973898302
Energy: 1.348375265431189
Energy: 1.4684705291231146
Energy: 1.3483752654325571
Energy: 1.299090305337035
Energy: 1.511363253334428
Energy: 1.261544717876415
Energy: 1.5113632533337438
Energy: 1.239725276982405
Energy: 1.2975436203234392
Energy: 1.2866526486185987
Energy: 1.2975436203234392
Energy: 1.3119072694987888
Energy: 1.3634540912710653
Energy: 1.2494702043362613
Energy: 1.3634540912717494
Energy: 1.2602898308497603
Energy: 1.2573434371236518
Energy: 1.2328744363623136
Energy: 1.2573434371243357
Energy: 1.2669361004560065
Energy: 1.3880515825006514
Energy: 1.2384849498370796
Energy: 1.3880515825006514

minimum gb energy = 1.2262871475238617 eV
minimum distance =  2.22919340351758 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1454013923874897
Energy: 1.1453822815954693
Energy: 1.4488393247652784
Energy: 1.1453822815954693
Energy: 1.16165701718138
Energy: 1.190786999848234
Energy: 1.1646828145376333
Energy: 1.190786999848234
Energy: 1.1615464434492475
Energy: 1.3866938093097176
Energy: 1.8629061478929343
Energy: 1.3866938093079277
Energy: 1.1420637080549307
Energy: 1.1905713722744096
Energy: 1.164429425491545
Energy: 1.1905713722761995
Energy: 1.1609990017238263
Energy: 1.2763064065477079
Energy: 1.145556434358972
Energy: 1.2763064065477079
Energy: 1.1465349913949074
Energy: 1.1470609037612403
Energy: 1.1491441708236352
Energy: 1.1470609037612403
Energy: 1.1617056562799568
Energy: 1.3863051408654947
Energy: 1.1462637617650364
Energy: 1.3863051408654947
Energy: 1.159286005112496
Energy: 1.5426782212172254
Energy: 1.1646021508517117
Energy: 1.5426782212172254
Energy: 1.1609618492212062
Energy: 1.2767952430445244
Energy: 1.1405408527236913
Energy: 1.2767952430427345
Energy: 1.1917954669142714
Energy: 1.1461401182662094
Energy: 1.147471947931719
Energy: 1.1461401182662094
Energy: 1.1449336375973749
Energy: 1.1919448485642137
Energy: 1.1611485675684166
Energy: 1.1919448485642137
Energy: 1.1451899787296713
Energy: 1.387082087176083
Energy: 1.1647536443716746
Energy: 1.387082087176083
Energy: 1.1610988680405523
Energy: 1.14963145786732
Energy: 1.1408845139741226
Energy: 1.14963145786732
Energy: 1.1475254879964756
Energy: 1.2729569785183141
Energy: 1.1473965558895092
Energy: 1.2729569785183141
Energy: 1.156086494128945
Energy: 1.149550872424688
Energy: 1.161236510822345
Energy: 1.149550872424688

minimum gb energy = 1.1405408527236913 eV
minimum distance =  2.2604796656805 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.1533362556453626
Energy: 1.1045388718883034
Energy: 1.3933685098402186
Energy: 1.1045388718860525
Energy: 1.3338653225635477
Energy: 1.321251053239729
Energy: 1.0961377602602784
Energy: 1.3212510532382287
Energy: 1.1060079716103857
Energy: 1.105198302697885
Energy: 1.30575417887206
Energy: 1.105198302697885
Energy: 1.11000702379313
Energy: 1.3216541221582694
Energy: 1.0897289621060742
Energy: 1.3216541221582694
Energy: 1.1125872104055259
Energy: 1.2029307161935952
Energy: 1.1145996259546327
Energy: 1.2029307161928449
Energy: 1.089672850074323
Energy: 1.1369916435672633
Energy: 1.1229190987170061
Energy: 1.1369916435672633
Energy: 1.119892510981813
Energy: 1.2061053163827913
Energy: 1.2835034247321155
Energy: 1.2061053163842916
Energy: 1.0847712118151636
Energy: 1.320831889381826
Energy: 1.1227760010962682
Energy: 1.320831890606384
Energy: 1.1197666376100526
Energy: 1.2048680368592992
Energy: 1.3826644344066528
Energy: 1.2048680368592992
Energy: 1.3069677156163098
Energy: 1.410377765424156
Energy: 1.089580813686978
Energy: 1.410377765424156
Energy: 1.1197481667577571
Energy: 1.23239924078575
Energy: 1.0973326755641915
Energy: 1.2323992407842495
Energy: 1.4551121196341428
Energy: 1.2303609855198026
Energy: 1.0882658833546595
Energy: 1.2303609855183018
Energy: 1.1667599751766344
Energy: 1.1278294831598565
Energy: 1.098920570080861
Energy: 1.127829483161357
Energy: 1.502552199179243
Energy: 1.23150233991682
Energy: 1.088519810932636
Energy: 1.23150233991757
Energy: 1.1125485924248466
Energy: 1.1043639594460481
Energy: 1.0988107651678642
Energy: 1.1043639594475485
Energy: 1.1246946089423906
Energy: 1.2314448720147515
Energy: 1.0942031676857693
Energy: 1.2314448720170021
Energy: 1.1244116610002972
Energy: 1.194615008231162
Energy: 1.0936761063118172
Energy: 1.194615008231162
Energy: 1.1131333983763092
Energy: 1.2005373234575207
Energy: 1.1190484849079751
Energy: 1.200537323458271
Energy: 1.1147716986149485
Energy: 1.1281930162815228
Energy: 1.1186836445953632
Energy: 1.1281930162830234
Energy: 1.1282748553096644
Energy: 1.1282659596937428
Energy: 1.1189456855386355
Energy: 1.1282659596929925
Energy: 1.112836063661148
Energy: 1.2005786276461672
Energy: 1.1192153606049633
Energy: 1.2005786276469175
Energy: 1.1242379212176263
Energy: 1.1948365269598564
Energy: 1.09435428223303
Energy: 1.1948365269598564
Energy: 1.1245884030998072
Energy: 1.2315680547789338
Energy: 1.093825966070011
Energy: 1.2315680547804342
Energy: 1.112526341225327
Energy: 1.1044773905699754
Energy: 1.096002400950629
Energy: 1.1044773905759773
Energy: 1.5022889798907677
Energy: 1.231278435944408
Energy: 1.0885425503662869
Energy: 1.2312784359459084
Energy: 1.1666899986252683
Energy: 1.1278885299251862
Energy: 1.0944075697505
Energy: 1.1278885299251862
Energy: 1.455000342304018
Energy: 1.5605693358216277
Energy: 1.088371725518024
Energy: 1.5605693358223782
Energy: 1.1195868877862785
Energy: 1.2322260643703102
Energy: 1.0940071838319325
Energy: 1.2322260643718108
Energy: 1.3069022289197476
Energy: 1.4107572294662207
Energy: 1.0895960919552325
Energy: 1.410757229467721
Energy: 1.1126409259714791
Energy: 1.2047899011622387
Energy: 1.2975919733545982
Energy: 1.2047899011652394
Energy: 1.0855840511946382
Energy: 1.3206414356871898
Energy: 1.12304760281508
Energy: 1.3206414357666445
Energy: 1.1124024276388207
Energy: 1.2060544990085258
Energy: 1.4758059249123756
Energy: 1.206054499009276
Energy: 1.08947446108539
Energy: 1.1367465325758934
Energy: 1.1228319487520197
Energy: 1.1367465325766437
Energy: 1.1195176623025132
Energy: 1.2031683450708615
Energy: 1.4545328607364858
Energy: 1.2031683450708615
Energy: 1.1095182204122493
Energy: 1.3218069951186038
Energy: 1.0897277778210657
Energy: 1.3218069951186038

minimum gb energy = 1.0847712118151636 eV
minimum distance =  2.2141979851814 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.231599022240601
Energy: 1.2309527861673744
Energy: 1.0086059744166482
Energy: 1.2309527861673744
Energy: 1.2082414226917308
Energy: 1.0598921802960037
Energy: 1.0152552251060298
Energy: 1.0598921802960037
Energy: 1.0505732628497628
Energy: 1.2192725426614461
Energy: 1.3902011552595532
Energy: 1.2192725426614461
Energy: 1.160317712198937
Energy: 1.2081416185804938
Energy: 1.0255273060116763
Energy: 1.2081416185804938
Energy: 1.023896466096191
Energy: 1.0599055257442234
Energy: 1.0675053431607984
Energy: 1.0599055257442234
Energy: 1.027292600521851
Energy: 1.2076201018128214
Energy: 1.1681543448991019
Energy: 1.2076201018141124
Energy: 1.04309972598712
Energy: 1.2734751787911347
Energy: 1.4777932645860394
Energy: 1.2734751787911347
Energy: 0.998621129473837
Energy: 1.0611232506822956
Energy: 1.0641872058079298
Energy: 1.0611232506822956
Energy: 1.0162393520204198
Energy: 1.060168234910439
Energy: 1.3258059056909501
Energy: 1.060168234910439
Energy: 1.3877138274558398
Energy: 1.2003101955162019
Energy: 1.1683272205573347
Energy: 1.2003101955162019
Energy: 1.0435991538704885
Energy: 1.3006809449034051
Energy: 1.1619181164475385
Energy: 1.3006809449034051
Energy: 1.3987477530184342
Energy: 1.0601856701637833
Energy: 1.0249237663290192
Energy: 1.0601856701637833
Energy: 1.1660583735128847
Energy: 1.0595904292637426
Energy: 1.0094680390745154
Energy: 1.0595904292637426
Energy: 1.4931810924725082
Energy: 1.255481441797519
Energy: 1.006894549984395
Energy: 1.255481441797519
Energy: 1.2310699504905274
Energy: 1.2610236402439332
Energy: 0.999528780673862
Energy: 1.2610236402439332
Energy: 1.2312585572232275
Energy: 1.0608314692870073
Energy: 1.0152045568074257
Energy: 1.0608314692870073
Energy: 1.1660326620442203
Energy: 1.2015929180863196
Energy: 1.0104315504048944
Energy: 1.2015929180863196
Energy: 1.1672545778538077
Energy: 1.1625850827565378
Energy: 1.0233417751036924
Energy: 1.1625850827552473
Energy: 1.0230520847731341
Energy: 1.062050037178367
Energy: 1.0188521913878965
Energy: 1.062050037178367
Energy: 1.0188000059780136
Energy: 1.0612905779852408
Energy: 1.165952386378459
Energy: 1.0612905779865316

minimum gb energy = 0.998621129473837 eV
minimum distance =  2.2781878920269 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.1206716103306669
Energy: 0.9520952309103717
Energy: 0.9040516781831497
Energy: 0.9520952309093639
Energy: 1.2903968815774882
Energy: 1.1810306512920858
Energy: 0.9320676277307576
Energy: 1.1810306512920858
Energy: 1.0540401675096276
Energy: 1.0549616760611233
Energy: 1.204474718424527
Energy: 1.0549616760621312
Energy: 1.0655813922911115
Energy: 1.0928127775234688
Energy: 0.9366288730331879
Energy: 1.0928127775234688
Energy: 0.950712335342932
Energy: 1.181697300296062
Energy: 0.9413495291489115
Energy: 1.1816973002950537
Energy: 1.0246888055250254
Energy: 1.1727532419284257
Energy: 0.9507106210696208
Energy: 1.1727532419294335
Energy: 0.9351671702053926
Energy: 0.9263623061747809
Energy: 1.0668438389732784
Energy: 0.9263623061737729
Energy: 0.9113965079630499
Energy: 1.102220582684263
Energy: 1.0559262790155028
Energy: 1.102220582684263
Energy: 0.9336871245439299
Energy: 0.9628047549447735
Energy: 1.321371190134318
Energy: 0.9628047549447735
Energy: 0.8968390768672897
Energy: 1.1605249230881138
Energy: 0.993168889750275
Energy: 1.1605249230881138
Energy: 0.935010951476103
Energy: 0.9262125464168234
Energy: 1.4058784811826617
Energy: 0.9262125464168234
Energy: 1.2082539341727636
Energy: 1.3147483685255974
Energy: 1.0560312976015853
Energy: 1.3147483685245893
Energy: 0.9387521277565082
Energy: 0.9783763856981124
Energy: 1.2837349222921492
Energy: 0.9783763856991202
Energy: 1.2163744348077605
Energy: 1.2649097962290707
Energy: 0.9509740325551281
Energy: 1.2649097962290707
Energy: 0.9537361663202982
Energy: 0.9265470396782476
Energy: 1.0249838252679166
Energy: 0.9265470396772397
Energy: 1.3245331824230846
Energy: 1.3175110632606821
Energy: 0.9325046404493917
Energy: 1.3175110632616904
Energy: 1.060934634020737
Energy: 1.101994088392231
Energy: 1.0236932710596929
Energy: 1.101994088392231
Energy: 1.3259422363776427
Energy: 0.9557109254524137
Energy: 0.9320150188384958
Energy: 0.9557109254524137
Energy: 1.127800087725198
Energy: 0.9456361203128075
Energy: 0.8970912030689762
Energy: 0.9456361203117997
Energy: 1.5133538297528801
Energy: 1.2146674238435493
Energy: 0.9330440183625281
Energy: 1.214667423844557
Energy: 1.0612516009798814
Energy: 1.3165914898186528
Energy: 0.9087495875820456
Energy: 1.3165914898186528
Energy: 1.0550694580921691
Energy: 0.9777392645989011
Energy: 0.9404270068543553
Energy: 0.9777392645999089
Energy: 0.9492914945644774
Energy: 1.0398519877346126
Energy: 1.2159104383727997
Energy: 1.0398519877356205
Energy: 1.028701919222996
Energy: 1.1070713912403156
Energy: 0.949311794791104
Energy: 1.1070713912403156
Energy: 0.933022776177599
Energy: 1.2126517758643336
Energy: 1.3206103997698053
Energy: 1.2126517758643336
Energy: 0.907275814958557
Energy: 1.1025915906128876
Energy: 1.053911006710423
Energy: 1.1025915906128876

minimum gb energy = 0.8968390768672897 eV
minimum distance =  2.21843051902657 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.242151079423193
Energy: 0.8744549791253753
Energy: 1.191330554137555
Energy: 0.8744549791220702
Energy: 1.2791417660493425
Energy: 0.8522070396371254
Energy: 0.8405974232494636
Energy: 0.8522070396346466
Energy: 0.8719752792653523
Energy: 0.8377463601796581
Energy: 1.111850293793536
Energy: 0.8377463601780055
Energy: 1.0676150717058164
Energy: 0.8531786567467
Energy: 0.8405284137544753
Energy: 0.8531786567483526
Energy: 0.8347775662146534
Energy: 1.0789782111233597
Energy: 0.8562135298768108
Energy: 1.078978211121707
Energy: 0.8568280736035677
Energy: 1.0395571216115616
Energy: 0.8404896261478132
Energy: 1.0395571216140405
Energy: 0.8393523664975419
Energy: 1.0409211354625165
Energy: 0.8576842363012946
Energy: 1.0409211354625165
Energy: 0.81903704492117
Energy: 0.8724464144497875
Energy: 0.8359524834310859
Energy: 0.8724464144497875
Energy: 0.8438952299440086
Energy: 0.8743994495202514
Energy: 1.067708848745048
Energy: 0.874399449519425
Energy: 0.8200022858670026
Energy: 0.8382708280505652
Energy: 0.8731699904235685
Energy: 0.8382708280513915
Energy: 0.839654280038047
Energy: 0.8523323008189225
Energy: 1.417451016577147
Energy: 0.8523323008189225
Energy: 0.8192109048818031
Energy: 1.0584973151590407
Energy: 1.2431203615883357
Energy: 1.058497315156562
Energy: 0.8437116433521037
Energy: 0.8768294201347923
Energy: 1.5086725380677775
Energy: 0.8768294201323134
Energy: 1.0701485858139244
Energy: 0.9807704311777232
Energy: 0.8730993904849969
Energy: 0.9807704311793758
Energy: 0.8396886901253973
Energy: 0.85240563273691
Energy: 1.241522023538285
Energy: 0.8524056327377363
Energy: 1.075487880793906
Energy: 1.05628430765968
Energy: 0.8360195450757897
Energy: 1.0562843076613324
Energy: 0.8439177955669562
Energy: 0.8744548209815259
Energy: 1.030221564425363
Energy: 0.8744548209848312
Energy: 1.0805267055434096
Energy: 0.9667738817205932
Energy: 0.8406150324980752
Energy: 0.9667738817197669
Energy: 0.8396258785841388
Energy: 0.8727343174476729
Energy: 0.8190525138299746
Energy: 0.8727343174476729
Energy: 1.083257414833073
Energy: 1.056353849004281
Energy: 0.8438740375525347
Energy: 1.0563538490051074
Energy: 0.8763209484854663
Energy: 0.8732716517493406
Energy: 0.8243775343566728
Energy: 0.8732716517485142
Energy: 1.4234816908790406
Energy: 0.9918146778532956
Energy: 0.8406012001454861
Energy: 0.991814677851643
Energy: 1.2456970002024252
Energy: 1.0581011502501418
Energy: 0.8192928930617952
Energy: 1.058101150250968
Energy: 1.2703355001194299
Energy: 1.0576175743174405
Energy: 0.8436779013584939
Energy: 1.057617574316614
Energy: 0.8765897118066569
Energy: 0.9683028408184251
Energy: 0.8205136395149643
Energy: 0.9683028408175987
Energy: 1.254652077533285
Energy: 0.8983899843872065
Energy: 0.8405525993191547
Energy: 0.8983899843954696
Energy: 0.8395709057147469
Energy: 1.0563549985987142
Energy: 1.0751992681991236
Energy: 1.0563549985970615
Energy: 0.8417129540649474
Energy: 0.8741318282296212
Energy: 0.8437773495723931
Energy: 0.8741318282321003
Energy: 0.8438676893450661
Energy: 0.9681977631874399
Energy: 1.0724990568636186
Energy: 0.9681977631857873
Energy: 0.8188947968336389
Energy: 0.9310847039293334
Energy: 0.844852636777196
Energy: 0.9310847039375963
Energy: 0.8478871294184488
Energy: 1.0569898990619422
Energy: 1.0842727097821094
Energy: 1.0569898990611157
Energy: 0.8190474400658676
Energy: 0.8743338037226777
Energy: 0.8814422360992075
Energy: 0.8743338037193725

minimum gb energy = 0.8188947968336389 eV
minimum distance =  2.27137303644028 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.1324671568852949
Energy: 0.7962775626012827
Energy: 1.3404414814962116
Energy: 0.7962775626012827
Energy: 1.3000410356987766
Energy: 0.792088178529876
Energy: 0.7933117349848773
Energy: 0.7920881785305759
Energy: 0.8245974942606975
Energy: 0.7912241800415323
Energy: 1.011728038167924
Energy: 0.7912241800429323
Energy: 1.152124298441035
Energy: 0.7926990635993169
Energy: 0.7932328715343009
Energy: 0.792699063598617
Energy: 0.789505227414085
Energy: 0.8861099853388603
Energy: 0.7925252699440449
Energy: 0.8861099853367603
Energy: 1.117714480800311
Energy: 0.7917907942405432
Energy: 0.7933968453052959
Energy: 0.7917907942440433
Energy: 0.7923845224905105
Energy: 0.9626685333547713
Energy: 0.7926014398354584
Energy: 0.9626685333533714
Energy: 0.938723381494706
Energy: 0.9619013380762843
Energy: 0.7931615408192109
Energy: 0.9619013380762843
Energy: 0.7953744197470806
Energy: 0.8094772781236534
Energy: 0.9746743946307788
Energy: 0.8094772781229534
Energy: 0.7573389396328456
Energy: 0.7908665590701196
Energy: 0.7902985508046514
Energy: 0.7908665590694195
Energy: 0.7923828832445486
Energy: 0.7925603890050136
Energy: 1.1528213295297185
Energy: 0.7925603890036136
Energy: 0.7592206825716048
Energy: 0.7918904531242026
Energy: 0.8256082721919384
Energy: 0.7918904531256026
Energy: 0.795288428706505
Energy: 0.8101577920638501
Energy: 1.428856744806026
Energy: 0.8101577920645501
Energy: 0.7572341220704385
Energy: 0.796516857347478
Energy: 1.1333235139979354
Energy: 0.7965168573460781
Energy: 0.792565379323666
Energy: 0.7924182000066031
Energy: 1.434222899453801
Energy: 0.7924182000052031
Energy: 0.9755059212613035
Energy: 0.7917769933159412
Energy: 0.8254696507048803
Energy: 0.7917769933138412
Energy: 0.7952796261168634
Energy: 0.8094147116228
Energy: 1.285237807966419
Energy: 0.8094147116199999
Energy: 0.9765502882900424
Energy: 0.8795974328602328
Energy: 0.7902086341782598
Energy: 0.8795974328602328
Energy: 0.7923491745919861
Energy: 0.790478883228834
Energy: 1.117521244539405
Energy: 0.790478883228834
Energy: 0.9721505375679798
Energy: 0.7929651984279487
Energy: 0.7931029751598008
Energy: 0.7929651984286487
Energy: 0.7952524721811921
Energy: 0.978618539042192
Energy: 1.0286289706260996
Energy: 0.9786185390400921
Energy: 0.9982224275806938
Energy: 0.8074826223684922
Energy: 0.7990913323944896
Energy: 0.8074826223642924
Energy: 0.7925725965421003
Energy: 0.7904111821568287
Energy: 0.7574539238932222
Energy: 0.7904111821561287
Energy: 1.3321206243632022
Energy: 0.7927669826633297
Energy: 0.793149430295029
Energy: 0.7927669826640296
Energy: 0.8277918214136135
Energy: 0.8251277791833913
Energy: 0.758898399151817
Energy: 0.8251277791826913
Energy: 1.3034028578550259
Energy: 0.8072458678932101
Energy: 0.7991205114782579
Energy: 0.8072458678904101
Energy: 1.1350779922555583
Energy: 0.7909296249369063
Energy: 0.7574767986913256
Energy: 0.7909296249383063
Energy: 1.4330776944254247
Energy: 0.9492958149758723
Energy: 0.7933576693117004
Energy: 0.9492958149702724
Energy: 0.8278100165627358
Energy: 0.9100271871918532
Energy: 0.7602221854366349
Energy: 0.9100271871813532
Energy: 1.1515348622376964
Energy: 0.8079689629871176
Energy: 0.7990266767128192
Energy: 0.8079689629843178
Energy: 0.7925804151547516
Energy: 0.8789893494220329
Energy: 0.9768561060382437
Energy: 0.8789893494276328
Energy: 1.117833817312035
Energy: 0.7899823970357055
Energy: 0.7933136492692647
Energy: 0.7899823970357055
Energy: 0.7952867591685817
Energy: 0.9090332514424784
Energy: 0.9867900779627465
Energy: 0.9090332514452785
Energy: 0.7880105736457071
Energy: 0.8255439573984653
Energy: 0.7991397211574288
Energy: 0.8255439573963653
Energy: 0.7851796858751992
Energy: 0.8759787294614182
Energy: 0.9898781639190104
Energy: 0.8759787294621182
Energy: 0.7575881736162117
Energy: 0.7898223355782971
Energy: 0.7962563702936268
Energy: 0.7898223355789971
Energy: 0.7956479595074288
Energy: 0.9129025760699492
Energy: 1.3283381039443758
Energy: 0.9129025760692492

minimum gb energy = 0.7572341220704385 eV
minimum distance =  2.27433376360169 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0729850487263854
Energy: 0.779699309648347
Energy: 0.814616871515062
Energy: 0.7796993096489541
Energy: 1.324014856069745
Energy: 0.773643895402306
Energy: 0.7310536465303512
Energy: 0.7736438954029132
Energy: 1.0258177271180857
Energy: 0.7736933958961457
Energy: 0.9118309452860659
Energy: 0.7736933958961457
Energy: 1.2737805053001925
Energy: 0.7736998741549846
Energy: 0.7311527849157197
Energy: 0.7736998741549846
Energy: 0.771919775007679
Energy: 0.7292027873028888
Energy: 0.6879220074305137
Energy: 0.7292027873028888
Energy: 1.1375757748018216
Energy: 0.7743370280970037
Energy: 0.7314454211881151
Energy: 0.7743370280963966
Energy: 0.7275126744128252
Energy: 0.9230570231283121
Energy: 0.7462243811555646
Energy: 0.9230570231283121
Energy: 1.0008480075916557
Energy: 0.7722693515957839
Energy: 0.7309427982860935
Energy: 0.7722693515957839
Energy: 0.7303948822309025
Energy: 0.8777053049698323
Energy: 0.9037405344280237
Energy: 0.8777053049704395
Energy: 0.8427634963171282
Energy: 0.9226110880289774
Energy: 0.7281926284864826
Energy: 0.9226110880289774
Energy: 0.7315593329871917
Energy: 0.7737502364275879
Energy: 1.0619638716561628
Energy: 0.7737502364263737
Energy: 0.6850527430589382
Energy: 0.7721747064654957
Energy: 0.7729871486226798
Energy: 0.7721747064654957
Energy: 0.7305123589243964
Energy: 0.7484544878163487
Energy: 1.1917393184195855
Energy: 0.7484544878163487
Energy: 0.6890404575595298
Energy: 0.7740321699410305
Energy: 1.0266740768942422
Energy: 0.7740321699410305
Energy: 0.7316523743115209
Energy: 0.7736947477861965
Energy: 1.4070271159358592
Energy: 0.7736947477874108
Energy: 0.688612329567691
Energy: 0.779945933667781
Energy: 1.0733321636675288
Energy: 0.779945933668388
Energy: 0.7304287943532015
Energy: 0.7485058158464112
Energy: 1.4071456480223656
Energy: 0.7485058158464112
Energy: 0.871985026390605
Energy: 0.7740311730820605
Energy: 1.0268267600715462
Energy: 0.7740311730832747
Energy: 0.7308566709704759
Energy: 0.7735653347831429
Energy: 1.2740378559599645
Energy: 0.7735653347801075
Energy: 0.8762856595136809
Energy: 0.7795900833174303
Energy: 0.7730492304307247
Energy: 0.7795900833162162
Energy: 0.7306532216489969
Energy: 0.7485358850171642
Energy: 1.1374863715064236
Energy: 0.7485358850165571
Energy: 0.8726420414283106
Energy: 0.8982079421672569
Energy: 0.7283636541244775
Energy: 0.8982079421672569
Energy: 0.7330755646278692
Energy: 0.7718774119712011
Energy: 1.0009141355116582
Energy: 0.7718774119724152
Energy: 0.8832716936939302
Energy: 0.8036776663180696
Energy: 0.7312139660742109
Energy: 0.8036776663186767
Energy: 0.7305070016676952
Energy: 0.7718114786333923
Energy: 0.8424478104154633
Energy: 0.7718114786333923
Energy: 1.1827440527097484
Energy: 0.7739316393408341
Energy: 0.7314862556333358
Energy: 0.7739316393414413
Energy: 0.7746989966559882
Energy: 0.7719662706342566
Energy: 0.6846785939406123
Energy: 0.7719662706342566
Energy: 1.1989585655282846
Energy: 0.8039265186953717
Energy: 0.7311691740263245
Energy: 0.803926518697193
Energy: 1.0288495239626063
Energy: 0.8988367897601486
Energy: 0.6873071556629737
Energy: 0.8988367897607557
Energy: 1.406812191420945
Energy: 0.7738056464517343
Energy: 0.7312294310974768
Energy: 0.7738056464517343
Energy: 1.0759213231274904
Energy: 0.7719723725973042
Energy: 0.6850101224484504
Energy: 0.7719723725973042
Energy: 1.3022262033620469
Energy: 0.8039127712407702
Energy: 0.7312213387801777
Energy: 0.8039127712407702
Energy: 1.028909099478234
Energy: 0.898930411414497
Energy: 0.690566662406026
Energy: 0.8989304114138901
Energy: 1.2739546361934821
Energy: 0.8981201031298028
Energy: 0.7326949429877018
Energy: 0.8981201031304099
Energy: 0.7751472414187495
Energy: 0.7718612550865395
Energy: 0.8757432667845939
Energy: 0.7718612550841111
Energy: 1.0200748658520933
Energy: 0.7994148468163476
Energy: 0.7313691439357943
Energy: 0.7994148468169547
Energy: 0.730719492620568
Energy: 0.8981441903724563
Energy: 0.8723332580843494
Energy: 0.8981441903724563
Energy: 1.0008581371381695
Energy: 0.771695711353938
Energy: 0.7303092417508579
Energy: 0.771695711353331
Energy: 0.7320769443384585
Energy: 0.7717346351678275
Energy: 0.8835012399229765
Energy: 0.7717346351678275
Energy: 0.6974277353302787
Energy: 0.9504060924288777
Energy: 0.727272302719778
Energy: 0.9504060924288777
Energy: 0.7300363651919832
Energy: 0.8981968144862192
Energy: 1.1827372038860446
Energy: 0.8981968144862192
Energy: 0.68459509204151
Energy: 0.7718701974373421
Energy: 0.7718630356859295
Energy: 0.7718701974373421
Energy: 0.7310330186268523
Energy: 0.7717520081032047
Energy: 1.1990516120537864
Energy: 0.7717520081032047

minimum gb energy = 0.68459509204151 eV
minimum distance =  2.28754431107002 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020445604181975944
Energy: 0.020980526565928217
Energy: 1.8232374895830759
Energy: 0.020980526565928217
Energy: 0.9074162991559097
Energy: 0.4453374482128283
Energy: 0.44634688739369827
Energy: 0.4453374482137617
Energy: 0.020445604182442654
Energy: 0.020980526565928217
Energy: 1.8232374895638892
Energy: 0.020980526565928217
Energy: 0.9074162991563763
Energy: 0.4453374482128283
Energy: 0.4463468873932834
Energy: 0.4453374482137617
Energy: 0.020445604182442654
Energy: 0.020980526565513365
Energy: 1.8232374895839576
Energy: 0.020980526565928217
Energy: 0.9074162991563763
Energy: 0.4453374482137617
Energy: 0.44634688739141654
Energy: 0.4453374482128283

minimum gb energy = 0.020445604181975944 eV
minimum distance =  2.48585633323123 Angstroms
sigma value = 1