Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_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=3.523999765515327
cohesive_energy=4.440349234879022
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.5730476089049795e-19, 3.32917884955494e-19, 3.88902743077356e-19, 4.341241785720059e-19, 4.72172669276238e-19, 5.049323749116359e-19, 5.33528023475268e-19, 5.58707831455212e-19, 5.809925062575179e-19, 6.00764968097712e-19, 6.18321619653084e-19, 6.33891572182296e-19, 6.4766228035152595e-19, 6.597859509410039e-19, 6.703907580814499e-19, 6.79582445430708e-19, 6.874587457634519e-19, 6.9409496138148e-19, 6.995647924099559e-19, 7.039307237376059e-19, 7.072456271933519e-19, 7.095607724294819e-19, 7.109210203917479e-19, 7.11366425496e-19, 7.108841703291659e-19, 7.09320445934382e-19, 7.06465367172594e-19, 7.020770053720679e-19, 6.95854151325612e-19, 6.8743791746721e-19, 6.7639090957578e-19, 6.621763984789319e-19, 6.4413909393336e-19, 6.214618858557239e-19, 5.931273920834339e-19, 5.57860280015826e-19, 5.14043953429194e-19, 4.5960840011241e-19, 3.91889200323132e-19, 3.07398415529142e-19, 2.01637133742168e-19, 6.92441515095192e-20, -9.632542271869439e-20, -3.05985295737954e-19, -6.046710747314039e-19, -1.081735189271244e-18, -1.87161467853978e-18, -3.1778372447072996e-18, -5.3153972227247394e-18, -8.580905572844519e-18, -1.353675833713332e-17, -2.1622975852464e-17, -3.51059330982276e-17, -5.922670232309759e-17]
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: 0.018022230755593213
Energy: 0.01843116026848318
Energy: 0.8539153569628593
Energy: 0.15987636270591588
Energy: 0.01843116026848318
Energy: 1.0323763411784743
Energy: 0.15987636270591588
Energy: 1.0323763411797577
Energy: 0.8539153569628593
Energy: 0.15987636270591588
Energy: 0.018022230755593213
Energy: 0.01843116026914321
Energy: 0.15987636270591588
Energy: 1.0323763411791342
Energy: 0.01843116026848318
Energy: 1.0323763411791342

minimum gb energy = 0.018022230755593213 eV
minimum distance =  2.44678852068331 Angstroms
sigma value = 1


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

Energy: 1.677957909854177
Energy: 1.127120545576071
Energy: 1.2063140332727929
Energy: 1.2043189005374282
Energy: 1.1553968317972159
Energy: 1.2515864863163997
Energy: 1.1404912184240912
Energy: 1.2515864863163997
Energy: 1.2063840593354678
Energy: 1.2046567838603572
Energy: 1.1396595730006183
Energy: 1.204656783858756
Energy: 1.1431577774661983
Energy: 1.1377497754221768
Energy: 1.1402293583124925
Energy: 1.1377497754221768
Energy: 1.5638762954663863
Energy: 1.1391102438733658
Energy: 1.1421028654079453
Energy: 1.1391102438733658
Energy: 1.2114898428003145
Energy: 1.1929779807394474
Energy: 1.1397937708631076
Energy: 1.1929779807394474
Energy: 1.2005146283002428
Energy: 1.2136008846099444
Energy: 1.1984518420492722
Energy: 1.213600884608344
Energy: 1.2032465757477389
Energy: 1.2003252396518258
Energy: 1.255113229023819
Energy: 1.2003252396502246
Energy: 1.2296049387352668
Energy: 1.3389283289508664
Energy: 1.231071925490903
Energy: 1.3389283289524674
Energy: 1.2525012466356746
Energy: 1.303568924820086
Energy: 1.232584880973248
Energy: 1.3035689248192854
Energy: 1.226754439701024
Energy: 1.3366966384853145
Energy: 1.2306683723002223
Energy: 1.3366966384853145
Energy: 1.2010751982524797
Energy: 1.3378292596901677
Energy: 1.2608565845810773
Energy: 1.3378292596909682
Energy: 1.2126809122590079
Energy: 1.2504018717085572
Energy: 1.1552421410725102
Energy: 1.250401871706156
Energy: 1.1445611375285463
Energy: 1.257260627763849
Energy: 1.2073298904483976
Energy: 1.2572606277646494
Energy: 1.1555378128629976
Energy: 1.1389188410132824
Energy: 1.1390961986127877
Energy: 1.1389188410132824
Energy: 1.1753812605252394
Energy: 1.1397002672793546
Energy: 1.139330112719439
Energy: 1.1397002672793546
Energy: 1.2054508456315731
Energy: 1.204063437083438
Energy: 1.1204366402703638
Energy: 1.204063437083438
Energy: 1.139936968821701
Energy: 1.139873117459632
Energy: 1.1560581489206356
Energy: 1.139873117459632
Energy: 1.139290367997418
Energy: 1.2050940054407668
Energy: 1.206561329343113
Energy: 1.205094005439166
Energy: 1.1986504892578158
Energy: 1.1382349555789097
Energy: 1.142890872749509
Energy: 1.138234955581311
Energy: 1.1398587283772863
Energy: 1.138692212652263
Energy: 1.1978983788179234
Energy: 1.138692212650662
Energy: 1.1409977162378662
Energy: 1.139433982193285
Energy: 1.1470302247299513
Energy: 1.139433982193285
Energy: 1.1985677298693518
Energy: 1.1989859076930565
Energy: 1.1990177036628884
Energy: 1.1989859076970588
Energy: 1.2557027832874228
Energy: 1.1959960561572878
Energy: 1.2020602039845878
Energy: 1.1959960561564873
Energy: 1.2329908124547435
Energy: 1.3389475473511185
Energy: 1.2292531791698855
Energy: 1.338947547350318
Energy: 1.2332839076989317
Energy: 1.3379359577168612
Energy: 1.2554071042745742
Energy: 1.3379359577176615
Energy: 1.358472179504354
Energy: 1.3365925405695576
Energy: 1.2273449931733387
Energy: 1.3365925405703578
Energy: 1.2574376689286924
Energy: 1.3376858937720353
Energy: 1.241694107771676
Energy: 1.337685893774437
Energy: 1.1558668719115912
Energy: 1.2501218247605395
Energy: 1.2132740455433992
Energy: 1.2501218247597388
Energy: 1.2070614034913794
Energy: 1.2151388460498753
Energy: 1.20217087733819
Energy: 1.2151388460498753
Energy: 1.138204383583936
Energy: 1.1386091498310469
Energy: 1.1550668731199927
Energy: 1.1386091498310469
Energy: 1.1394086257400398
Energy: 1.1394280093130262
Energy: 1.1230636278041368
Energy: 1.1394280093146272
Energy: 1.1203880586094601
Energy: 1.1437224455647073
Energy: 1.207365524541161
Energy: 1.1437224455647073

minimum gb energy = 1.1203880586094601 eV
minimum distance =  2.23327832992305 Angstroms
sigma value = 1


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

Energy: 1.899891201039338
Energy: 1.1704318916743475
Energy: 1.26046110863314
Energy: 1.2596131478422494
Energy: 1.2144433363141145
Energy: 1.305240833096926
Energy: 1.1899634076085248
Energy: 1.305240833096926
Energy: 1.2589022410315216
Energy: 1.2601033785419398
Energy: 1.1878082033938737
Energy: 1.2601033785419398
Energy: 1.1957335695874043
Energy: 1.3701236098623661
Energy: 1.1898068908883033
Energy: 1.3701236098623661
Energy: 1.189340574456469
Energy: 1.1905827844160173
Energy: 1.1898147930088034
Energy: 1.1905827844169299
Energy: 1.1957084499169846
Energy: 1.2720980304702132
Energy: 1.1909402099323252
Energy: 1.2720980304702132
Energy: 1.266205760164177
Energy: 1.3220072627495478
Energy: 1.2614966351710624
Energy: 1.3220072627495478
Energy: 1.266616507091046
Energy: 1.264172320349203
Energy: 1.249579662497447
Energy: 1.264172320349203
Energy: 1.2626886935338972
Energy: 1.408728930887357
Energy: 1.2861301488365349
Energy: 1.408728930887357
Energy: 1.249994983681581
Energy: 1.3834828223425713
Energy: 1.264405840341526
Energy: 1.3834828223425713
Energy: 1.2130253142302105
Energy: 1.3196490451547147
Energy: 1.2885188490412887
Energy: 1.3196490451547147
Energy: 1.2709043274925005
Energy: 1.324660978281527
Energy: 1.1966685668220638
Energy: 1.324660978281527
Energy: 1.1903655408386955
Energy: 1.1897008840542946
Energy: 1.2124338884561114
Energy: 1.1897008840542946
Energy: 1.1887314556234019
Energy: 1.188790929887483
Energy: 1.1637248886842722
Energy: 1.188790929887483
Energy: 1.163329083986167
Energy: 1.2594496755981999
Energy: 1.2596477924108236
Energy: 1.2594496755981999
Energy: 1.214656286503672
Energy: 1.1897316306094776
Energy: 1.1895869409324529
Energy: 1.1897316306085648
Energy: 1.2594370692854189
Energy: 1.2605730592461277
Energy: 1.1876544561530973
Energy: 1.2605730592461277
Energy: 1.1947081525385932
Energy: 1.1888332651264404
Energy: 1.1932847952083594
Energy: 1.1888332651255276
Energy: 1.1883705954326511
Energy: 1.1900895625117571
Energy: 1.1917888307842777
Energy: 1.1900895625117571
Energy: 1.1956558812908484
Energy: 1.190525056928343
Energy: 1.1911582639241494
Energy: 1.190525056928343
Energy: 1.2625184359669226
Energy: 1.3281061102282954
Energy: 1.2619086869567644
Energy: 1.3281061102282954
Energy: 1.263187145634831
Energy: 1.3249807250757808
Energy: 1.250002485290743
Energy: 1.3249807250757808
Energy: 1.2626844933511827
Energy: 1.4075089143772215
Energy: 1.2864642704676335
Energy: 1.4075089143772215
Energy: 1.3224515598199664
Energy: 1.4089619541144922
Energy: 1.2688855430179298
Energy: 1.4089619541135794
Energy: 1.2137623467353773
Energy: 1.3204924095356205
Energy: 1.2898021621468436
Energy: 1.3204924095356205
Energy: 1.214673243321577
Energy: 1.321201257349216
Energy: 1.2812065106130779
Energy: 1.3212012573483034
Energy: 1.1890013729680744
Energy: 1.1897954154722665
Energy: 1.2124882185307364
Energy: 1.1897954154722665
Energy: 1.188120914450221
Energy: 1.1897600998743614
Energy: 1.163761198326182
Energy: 1.1897600998743614
Energy: 1.162775861581654
Energy: 1.195333407074706
Energy: 1.260658682748579
Energy: 1.195333407073793

minimum gb energy = 1.162775861581654 eV
minimum distance =  2.23592115373747 Angstroms
sigma value = 25


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

Energy: 1.8136098860094705
Energy: 1.216257776738134
Energy: 1.318600143593842
Energy: 1.3186360167189082
Energy: 1.2835763249202983
Energy: 1.3612211323180978
Energy: 1.2464822982982418
Energy: 1.3612211323180978
Energy: 1.3178808660412906
Energy: 1.3193597439216296
Energy: 1.2438231280286316
Energy: 1.3193597439226905
Energy: 1.2543260148336812
Energy: 1.3642180363216552
Energy: 1.2466897416188092
Energy: 1.3642180363216552
Energy: 1.243549849284409
Energy: 1.2459357761474477
Energy: 1.2478477360602216
Energy: 1.2459357761474477
Energy: 1.2529912611969367
Energy: 1.2475182672169318
Energy: 1.2452586675501103
Energy: 1.2475182672158707
Energy: 1.3224591183161984
Energy: 1.4134766817571982
Energy: 1.319031609372633
Energy: 1.4134766817550766
Energy: 1.321232481823506
Energy: 1.4157308297586062
Energy: 1.2313400280693187
Energy: 1.4157308297596671
Energy: 1.3221223787029899
Energy: 1.4106636725439803
Energy: 1.283906161954802
Energy: 1.4106636725450412
Energy: 1.2534121397187525
Energy: 1.4143122637122088
Energy: 1.245839695865684
Energy: 1.4143122637122088
Energy: 1.2057545745621712
Energy: 1.2465939767983338
Energy: 1.2477874624019671
Energy: 1.2465939767983338
Energy: 1.2068778581260906
Energy: 1.2454882322162208
Energy: 1.246162948286555
Energy: 1.2454882322162208
Energy: 1.317479790464495
Energy: 1.319177566618137
Energy: 1.205965644217897
Energy: 1.3191775666191978
Energy: 1.2461696148022483
Energy: 1.2540172284740625
Energy: 1.2841774695052015
Energy: 1.2540172284740625
Energy: 1.2435231946914038
Energy: 1.320174524971727
Energy: 1.3203860424529117
Energy: 1.3201745249706658
Energy: 1.2511925650511253
Energy: 1.245996721840431
Energy: 1.2537277416476684
Energy: 1.24599672183937
Energy: 1.2456939873600021
Energy: 1.2546536082983342
Energy: 1.2445276152381068
Energy: 1.2546536082993949
Energy: 1.2457889655952974
Energy: 1.2477812041896794
Energy: 1.2532520967422554
Energy: 1.2477812041886185
Energy: 1.3189450441422579
Energy: 1.4152807236741543
Energy: 1.3274594804411164
Energy: 1.4152807236741543
Energy: 1.2315753810444185
Energy: 1.4150449955022324
Energy: 1.3232327688203604
Energy: 1.4150449955022324
Energy: 1.283751157911695
Energy: 1.410344755345852
Energy: 1.3228753859585913
Energy: 1.4103447553447908
Energy: 1.2848719697826383
Energy: 1.4104473932007393
Energy: 1.3228065092441
Energy: 1.4104473932007393
Energy: 1.245966759956969
Energy: 1.2463238060648223
Energy: 1.2060743209561986
Energy: 1.2463238060648223
Energy: 1.2452998917091476
Energy: 1.2458101160786526
Energy: 1.206743000365457
Energy: 1.2458101160786526
Energy: 1.2053183015160198
Energy: 1.253866449724912
Energy: 1.3184539145408918
Energy: 1.253866449724912

minimum gb energy = 1.2053183015160198 eV
minimum distance =  2.23171347459985 Angstroms
sigma value = 9


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

Energy: 1.6858997667078324
Energy: 1.2611901237001182
Energy: 1.382158183887014
Energy: 1.3814652985188838
Energy: 1.3797887384676022
Energy: 1.4144335761294984
Energy: 1.3135688852853764
Energy: 1.4144335761294984
Energy: 1.381495258451439
Energy: 1.3811834203747029
Energy: 1.377213959728662
Energy: 1.3811834203747029
Energy: 1.3158591357254514
Energy: 1.415038860359928
Energy: 1.3135615610536315
Energy: 1.415038860359928
Energy: 1.3110770786373416
Energy: 1.313227704997575
Energy: 1.3162358234234814
Energy: 1.313227704997575
Energy: 1.3177737374160272
Energy: 1.3169526031068925
Energy: 1.315978063164581
Energy: 1.3169526031068925
Energy: 1.3742078511881983
Energy: 1.4859137416831794
Energy: 1.314730258106925
Energy: 1.4859137416831794
Energy: 1.3168672365659682
Energy: 1.4914590294484533
Energy: 1.3137456923948432
Energy: 1.4914590294484533
Energy: 1.31207349529802
Energy: 1.312773418003635
Energy: 1.245297194623004
Energy: 1.312773418003635
Energy: 1.3137909196940123
Energy: 1.313021258352049
Energy: 1.2453849640625192
Energy: 1.313021258352049
Energy: 1.2435443934243637
Energy: 1.3810425774466186
Energy: 1.380319736034834
Energy: 1.3810425774466186
Energy: 1.379117556624408
Energy: 1.318278505405365
Energy: 1.3131319241625259
Energy: 1.318278505405365
Energy: 1.381436999738613
Energy: 1.3818741129321275
Energy: 1.3786002720834258
Energy: 1.3818741129321275
Energy: 1.381862426227679
Energy: 1.3126796879471225
Energy: 1.379582460899651
Energy: 1.3126796879471225
Energy: 1.3103856398298883
Energy: 1.3183919337516214
Energy: 1.3229135749725778
Energy: 1.318391933750356
Energy: 1.3186185195292446
Energy: 1.3146482008515121
Energy: 1.3220173816983236
Energy: 1.3146482008515121
Energy: 1.3762032223226102
Energy: 1.4883950688510779
Energy: 1.3164371701943338
Energy: 1.4883950688510779
Energy: 1.376608667288784
Energy: 1.4868770224065233
Energy: 1.313997823092973
Energy: 1.4868770224065233
Energy: 1.310953397608458
Energy: 1.3128508818775235
Energy: 1.2449063016455029
Energy: 1.3128508818775235
Energy: 1.3142622445426324
Energy: 1.3132758419364363
Energy: 1.2454342040282156
Energy: 1.3132758419364363
Energy: 1.243345742198741
Energy: 1.3162568522609783
Energy: 1.3822947574242466
Energy: 1.3162568522609783

minimum gb energy = 1.243345742198741 eV
minimum distance =  2.2517671079025 Angstroms
sigma value = 25


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

Energy: 1.502776947503122
Energy: 1.2992653959170655
Energy: 1.4487225899810006
Energy: 1.4491700266626144
Energy: 1.4412730240287037
Energy: 1.4088180013563658
Energy: 1.3269881267780101
Energy: 1.4088180013563658
Energy: 1.4482272812621946
Energy: 1.4490991765312258
Energy: 1.4434812174474132
Energy: 1.4490991765312258
Energy: 1.4488652830315432
Energy: 1.4095017297467296
Energy: 1.3270264739472353
Energy: 1.4095017297467296
Energy: 1.3879377704267437
Energy: 1.4971634546861916
Energy: 1.3274490267222103
Energy: 1.4971634546861916
Energy: 1.287639709385417
Energy: 1.3265096016736004
Energy: 1.3249875139570526
Energy: 1.3265096016736004
Energy: 1.2803932509094242
Energy: 1.3272526057012137
Energy: 1.3286767560835473
Energy: 1.3272526448677684
Energy: 1.2809071201187725
Energy: 1.4092619773520871
Energy: 1.3272751421397833
Energy: 1.4092619773520871
Energy: 1.4466061577456109
Energy: 1.447739899242667
Energy: 1.5979338063780928
Energy: 1.447739899242667
Energy: 1.4858239784619738
Energy: 1.4936541789033948
Energy: 1.4397293428669258
Energy: 1.4936541789033948
Energy: 1.4431228832370198
Energy: 1.4494731396342517
Energy: 1.4485073862054791
Energy: 1.4494731396326865
Energy: 1.4418220641195982
Energy: 1.4104910295491733
Energy: 1.4500654679830571
Energy: 1.4104910295491733
Energy: 1.3262651109521024
Energy: 1.4986216970688255
Energy: 1.3878684629653883
Energy: 1.4986216970688255
Energy: 1.3273881438935438
Energy: 1.3307162284149339
Energy: 1.2903197772603747
Energy: 1.3307162284149339
Energy: 1.3947210353367738
Energy: 1.3293204272388937
Energy: 1.2807870104444328
Energy: 1.3293204274610495
Energy: 1.3263073419057732
Energy: 1.4872456642615142
Energy: 1.280253460792996
Energy: 1.4872456642615142
Energy: 1.599217942245968
Energy: 1.2887900475569105
Energy: 1.4510531224476317
Energy: 1.2887900475569105

minimum gb energy = 1.280253460792996 eV
minimum distance =  2.29655184316028 Angstroms
sigma value = 17


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

Energy: 2.0533941191279683
Energy: 1.4928450565429483
Energy: 1.5844265833585414
Energy: 1.585860081155634
Energy: 1.318121511448887
Energy: 1.4218883503395168
Energy: 1.504332232916025
Energy: 1.4218883503404034
Energy: 1.4038696074463726
Energy: 1.403268438636536
Energy: 1.5969102066623095
Energy: 1.403268438636536
Energy: 1.402892467653428
Energy: 1.423100035616237
Energy: 1.4185599099908994
Energy: 1.4231000356206693
Energy: 1.402518212317204
Energy: 1.523476508340943
Energy: 1.3202022278641798
Energy: 1.523476508340943
Energy: 1.4063967259742736
Energy: 1.4836990866002273
Energy: 1.4025776003896482
Energy: 1.4836990866002273
Energy: 1.4769602208048054
Energy: 1.401234386259302
Energy: 1.404379588947401
Energy: 1.4012343862584158
Energy: 1.6840453679215956
Energy: 1.4196032530856864
Energy: 1.3526211502963175
Energy: 1.4196032530856864
Energy: 1.588940741780131
Energy: 1.5888094033463014
Energy: 1.5965209111514314
Energy: 1.5888094033471878
Energy: 1.596321426516858
Energy: 1.521923579199724
Energy: 1.519489980341263
Energy: 1.521923579199724
Energy: 1.398683961440437
Energy: 1.3524593609496396
Energy: 1.348948118477648
Energy: 1.352459360950526
Energy: 1.5018099546902246
Energy: 1.3837037300208996
Energy: 1.355588697505693
Energy: 1.3837037300208996
Energy: 1.478072640285553
Energy: 1.3835588842913196
Energy: 1.3815237844643604
Energy: 1.3835588842913196
Energy: 1.4800567259105044
Energy: 1.4212357483840954
Energy: 1.3504797894545693
Energy: 1.4212357483849816
Energy: 1.5876761084951942
Energy: 1.5036532523059318
Energy: 1.7099196200033078
Energy: 1.5036532523059318
Energy: 1.5851642071140999
Energy: 1.586403629432145
Energy: 1.7093586979510558
Energy: 1.586403629432145
Energy: 1.5957897619715815
Energy: 1.4025169468082446
Energy: 1.4018798286317886
Energy: 1.4025169468082446
Energy: 1.5962047501718322
Energy: 1.403026074735895
Energy: 1.3995856127790327
Energy: 1.4030260747367815
Energy: 1.4040155192297612
Energy: 1.5245190914817395
Energy: 1.402083539002231
Energy: 1.524519091480853
Energy: 1.4408733578254442
Energy: 1.4858567974838284
Energy: 1.4012247383612035
Energy: 1.4858567974838284
Energy: 1.4012327845699473
Energy: 1.4202073247043812
Energy: 1.5155195875375382
Energy: 1.4202073247043812
Energy: 1.4034758484808842
Energy: 1.4038477657948283
Energy: 1.4783843276014998
Energy: 1.403847765797488
Energy: 1.5227735141995262
Energy: 1.5220279504879501
Energy: 1.519386267078546
Energy: 1.5220279504879501
Energy: 1.598577220627303
Energy: 1.585154208137938
Energy: 1.5814671179667217
Energy: 1.585154208137938
Energy: 1.3773496105539238
Energy: 1.4193261620850517
Energy: 1.5980210495660128
Energy: 1.4193261620850517
Energy: 1.3772130558536695
Energy: 1.3838574321094683
Energy: 1.3997074616783205
Energy: 1.3838574321103547
Energy: 1.3487185897157334
Energy: 1.3529669787932608
Energy: 1.4888047959723874
Energy: 1.3529669787941472
Energy: 1.3539012988319121
Energy: 1.3829564169767867
Energy: 1.4803089044451159
Energy: 1.3829564169785595
Energy: 1.3809760902186485
Energy: 1.419284568047771
Energy: 1.4783928075119903
Energy: 1.419284568047771
Energy: 1.7110693140355262
Energy: 1.5845730260396118
Energy: 1.5829590459006737
Energy: 1.5845730260396118

minimum gb energy = 1.318121511448887 eV
minimum distance =  2.23262975750951 Angstroms
sigma value = 53


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

Energy: 1.867374148559661
Energy: 1.278353031443326
Energy: 1.49045549251766
Energy: 1.4876107017221922
Energy: 1.687833368474511
Energy: 1.3649758756205994
Energy: 1.4811750720986152
Energy: 1.3649758756205994
Energy: 1.4873356668510131
Energy: 1.4857662696416123
Energy: 1.5053016990588988
Energy: 1.4857662696416123
Energy: 1.4856582480706995
Energy: 1.366864171938553
Energy: 1.489827698779669
Energy: 1.366864171938553
Energy: 1.489840917768839
Energy: 1.3651705815213315
Energy: 1.2570240050143955
Energy: 1.3651705815213315
Energy: 1.487282497776602
Energy: 1.3703102302657744
Energy: 1.26055414735375
Energy: 1.3703102302657744
Energy: 1.6900996295585025
Energy: 1.4812687066439734
Energy: 1.4804798414277345
Energy: 1.4812687066439734
Energy: 1.6887323367972729
Energy: 1.3675271153574577
Energy: 1.4900965953922594
Energy: 1.3675271153574577
Energy: 1.485877857869052
Energy: 1.496339671086604
Energy: 1.5048631721949708
Energy: 1.496339671086604
Energy: 1.4864407522117686
Energy: 1.3670664081257429
Energy: 1.4829775739842934
Energy: 1.3670664081257429
Energy: 1.488492316577832
Energy: 1.370910862949061
Energy: 1.2792859986580531
Energy: 1.3709108629470201
Energy: 1.4885006010838684
Energy: 1.3715202353836187
Energy: 1.2571189055338812
Energy: 1.3715202353815776
Energy: 1.69063669050735
Energy: 1.3674972850383642
Energy: 1.4894500429447581
Energy: 1.3674972850383642

minimum gb energy = 1.2570240050143955 eV
minimum distance =  2.29023825172767 Angstroms
sigma value = 9


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

Energy: 1.8223649002404034
Energy: 1.5422900799078938
Energy: 1.6592732488770856
Energy: 1.6567803224175908
Energy: 1.4506836247693042
Energy: 1.375241213915984
Energy: 1.6598479968376243
Energy: 1.3752412139167391
Energy: 1.3888727598631203
Energy: 1.3800718584718648
Energy: 1.6951708468699906
Energy: 1.3800718584726201
Energy: 1.3839040990628364
Energy: 1.3794447723074033
Energy: 1.661677937391545
Energy: 1.3794447723051375
Energy: 1.3768543460002676
Energy: 1.374801237854054
Energy: 1.751391970501546
Energy: 1.374801237854054
Energy: 1.3747753866875843
Energy: 1.3752481149338378
Energy: 1.7505045825390562
Energy: 1.3752481149338378
Energy: 1.6618818320527644
Energy: 1.640488309661423
Energy: 1.6595802811880827
Energy: 1.6404883096606675
Energy: 1.660909979614574
Energy: 1.644495495512515
Energy: 1.6415774607929892
Energy: 1.644495495512515
Energy: 1.454192690901903
Energy: 1.5562918765982097
Energy: 1.4718979506321401
Energy: 1.556291876596699
Energy: 1.3708143504970494
Energy: 1.4783830959839779
Energy: 1.643606610097103
Energy: 1.4783830959854884
Energy: 1.4529744513574956
Energy: 1.453822217854339
Energy: 1.5280657560971653
Energy: 1.4538222178528284
Energy: 1.4620464257179813
Energy: 1.4562852859747106
Energy: 1.7473993053555155
Energy: 1.456285285975466
Energy: 1.6611507683204876
Energy: 1.4536772035229846
Energy: 1.4698147581607666
Energy: 1.453677203524495
Energy: 1.6629678585067118
Energy: 1.4534450150324278
Energy: 1.4537809624215112
Energy: 1.4534450150324278
Energy: 1.6410981939261085
Energy: 1.4689627799302416
Energy: 1.460843508154504
Energy: 1.4689627799302416
Energy: 1.5688821487388593
Energy: 1.5555412205422878
Energy: 1.460876091773267
Energy: 1.5555412205415324
Energy: 1.6494904677610145
Energy: 1.5334597880294578
Energy: 1.4572596277302137
Energy: 1.5334597880302132
Energy: 1.6561990903973989
Energy: 1.6460655734297518
Energy: 1.8202288693825255
Energy: 1.6460655734305067
Energy: 1.6591623100433692
Energy: 1.3756797150118667
Energy: 1.3727408278050912
Energy: 1.3756797150133777
Energy: 1.699772085856332
Energy: 1.3841665794034559
Energy: 1.389614620806376
Energy: 1.3841665794027007
Energy: 1.6625282160437398
Energy: 1.3771230746602139
Energy: 1.380441529578932
Energy: 1.3771230746602139
Energy: 1.750323389728886
Energy: 1.3740954757081776
Energy: 1.3750286517176258
Energy: 1.3740954757096882
Energy: 1.7505508217178087
Energy: 1.3760391897246902
Energy: 1.3747733495349552
Energy: 1.376039189723935
Energy: 1.6617505618690882
Energy: 1.6398986149198067
Energy: 1.6619702433561827
Energy: 1.6398986149198067
Energy: 1.640329866220922
Energy: 1.641950029330637
Energy: 1.6612191401955825
Energy: 1.6419500293298817
Energy: 1.470467672835833
Energy: 1.5535003913026064
Energy: 1.452471486593078
Energy: 1.5535003913026064
Energy: 1.6433955723815539
Energy: 1.4774436041066825
Energy: 1.370480581580311
Energy: 1.4774436041059271
Energy: 1.5277302147693044
Energy: 1.4526526498705168
Energy: 1.4536102712733465
Energy: 1.4526526498697612
Energy: 1.7474889372624278
Energy: 1.4626201895800965
Energy: 1.4617195240320302
Energy: 1.462620189580852
Energy: 1.4722666788047503
Energy: 1.4524837819730383
Energy: 1.6610618472532384
Energy: 1.452483781971528
Energy: 1.4563575715891437
Energy: 1.4537348910117127
Energy: 1.6371288588650996
Energy: 1.4537348910124683
Energy: 1.4594292336839627
Energy: 1.4700360085914097
Energy: 1.6419269261112077
Energy: 1.4700360085906545
Energy: 1.4700707158868396
Energy: 1.5645780512546872
Energy: 1.5624905189148113
Energy: 1.5645780512531766
Energy: 1.4548583378236275
Energy: 1.5344522183705895
Energy: 1.5333204867965993
Energy: 1.5344522183698344
Energy: 1.8139984160793303
Energy: 1.6422636683574396
Energy: 1.6511744651076696
Energy: 1.6422636683559293

minimum gb energy = 1.370480581580311 eV
minimum distance =  2.23353592800989 Angstroms
sigma value = 73


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

Energy: 1.733108308137162
Energy: 1.3864655428994945
Energy: 1.5798358597573299
Energy: 1.5797902802429482
Energy: 1.5449084388538352
Energy: 1.38716916232102
Energy: 1.5515276004972598
Energy: 1.38716916232102
Energy: 1.3879257131968323
Energy: 1.3870802743050499
Energy: 1.550800480685134
Energy: 1.3870802743050499
Energy: 1.3856141931622823
Energy: 1.3867173768216186
Energy: 1.7166944349427178
Energy: 1.3867173768228171
Energy: 1.3816667583383804
Energy: 1.3834942181605987
Energy: 1.7094856940581062
Energy: 1.3834942181594005
Energy: 1.3845499622025652
Energy: 1.382906566050634
Energy: 1.709046041305473
Energy: 1.382906566050634
Energy: 1.5426842001794832
Energy: 1.5541154621934448
Energy: 1.5608867712925174
Energy: 1.5541154621934448
Energy: 1.5421104886824848
Energy: 1.5511535134682115
Energy: 1.5468528891695181
Energy: 1.5511535134682115
Energy: 1.5503733264299784
Energy: 1.501023345123675
Energy: 1.5617866520284598
Energy: 1.501023345123675
Energy: 1.374030961707353
Energy: 1.5021003275731548
Energy: 1.550231315568695
Energy: 1.5021003275731548
Energy: 1.546929144358089
Energy: 1.5504771692771073
Energy: 1.3787520303915612
Energy: 1.5504771692771073
Energy: 1.5642430353555536
Energy: 1.5504768235831141
Energy: 1.700642506475321
Energy: 1.5504768235831141
Energy: 1.5423384470116472
Energy: 1.3831909000800255
Energy: 1.3831061845867816
Energy: 1.383190900081224
Energy: 1.5458136185428106
Energy: 1.3840100184909623
Energy: 1.3839462828732667
Energy: 1.3840100184909623
Energy: 1.7147286476498809
Energy: 1.388305464617193
Energy: 1.3856663110489023
Energy: 1.388305464617193
Energy: 1.709069465256469
Energy: 1.3856287910011085
Energy: 1.3863475601431252
Energy: 1.3856287910011085
Energy: 1.7060859759939115
Energy: 1.3832934387986553
Energy: 1.3829510013739994
Energy: 1.3832934387986553
Energy: 1.5751844515535482
Energy: 1.5534804062764518
Energy: 1.543111573515482
Energy: 1.5534804062776502
Energy: 1.547193746742924
Energy: 1.5008623119116191
Energy: 1.5415120075290083
Energy: 1.5008623119116191
Energy: 1.5469520673995667
Energy: 1.5002188762337385
Energy: 1.553402669214206
Energy: 1.5002188762337385
Energy: 1.5466008339449542
Energy: 1.5010682433457017
Energy: 1.3774808013654147
Energy: 1.5010682433457017
Energy: 1.7055555384714607
Energy: 1.5483204005000817
Energy: 1.55008171789379
Energy: 1.5483204005000817

minimum gb energy = 1.374030961707353 eV
minimum distance =  2.23427049399048 Angstroms
sigma value = 7


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

Energy: 2.221288041357472
Energy: 1.4172004807476495
Energy: 1.6018142941977205
Energy: 1.6024282064218722
Energy: 1.5364756260405796
Energy: 1.408690771852793
Energy: 1.554908023909977
Energy: 1.408690771852793
Energy: 1.4056506438753915
Energy: 1.4042809831682317
Energy: 1.5408038816492982
Energy: 1.4042809831682317
Energy: 1.4019779408461712
Energy: 1.4030484481465926
Energy: 1.557400532591243
Energy: 1.40304844814744
Energy: 1.408452212385122
Energy: 1.4079333569726644
Energy: 1.6600282790960188
Energy: 1.407933356973512
Energy: 1.4038488286242519
Energy: 1.4119771935485783
Energy: 1.6592113665830885
Energy: 1.4119771935494259
Energy: 1.656818363701115
Energy: 1.404894680911606
Energy: 1.402255044267061
Energy: 1.404894680911606
Energy: 1.5484383074844121
Energy: 1.4146235994287877
Energy: 1.4125620856085013
Energy: 1.4146235994287877
Energy: 1.5533376230706644
Energy: 1.4028366269392387
Energy: 1.4022810700177901
Energy: 1.4028366269392387
Energy: 1.6704144301265709
Energy: 1.4053083791586214
Energy: 1.4066820827743187
Energy: 1.4053083791586214
Energy: 1.557074910920754
Energy: 1.5542660206481789
Energy: 1.4016996189556057
Energy: 1.5542660206473318
Energy: 1.5602178394717032
Energy: 1.5593160264222892
Energy: 1.5519564373333927
Energy: 1.5593160264222892
Energy: 1.546756979108241
Energy: 1.506368192794029
Energy: 1.558924553444107
Energy: 1.506368192794029
Energy: 1.543981440623294
Energy: 1.50237323670677
Energy: 1.4177640091770045
Energy: 1.5023732367059224
Energy: 1.5583606191616395
Energy: 1.5075600283183488
Energy: 1.4235648605626299
Energy: 1.5075600283200434
Energy: 1.647743312245579
Energy: 1.546395829542785
Energy: 1.5606519053730161
Energy: 1.5463958295114315
Energy: 1.412086878001219
Energy: 1.5516074606983978
Energy: 1.5569102809249822
Energy: 1.5516074606983978
Energy: 1.407429551090539
Energy: 1.4052002835653135
Energy: 1.5413377808645499
Energy: 1.405200283566161
Energy: 1.4031059321066839
Energy: 1.4029141356098689
Energy: 1.5539839669242026
Energy: 1.4029141356081742
Energy: 1.4129339215097731
Energy: 1.414609170281495
Energy: 1.4156174825345034
Energy: 1.414609170281495
Energy: 1.402165197205199
Energy: 1.4052787629116248
Energy: 1.6622228959269272
Energy: 1.4052787629124721
Energy: 1.5469794528291754
Energy: 1.4112926571685926
Energy: 1.4035484578200288
Energy: 1.4112926571694404
Energy: 1.5486654757934057
Energy: 1.4078568761255204
Energy: 1.4082137915142572
Energy: 1.4078568761246728
Energy: 1.7101544131613642
Energy: 1.4029878947935908
Energy: 1.4022990338612196
Energy: 1.4029878947927432
Energy: 1.66855329978213
Energy: 1.4042178749029368
Energy: 1.4044500817621306
Energy: 1.4042178749029368
Energy: 1.6685569882664109
Energy: 1.405475279753066
Energy: 1.4095279293879985
Energy: 1.405475279753066
Energy: 1.6017510228354386
Energy: 1.565467758596419
Energy: 1.9424737730230832
Energy: 1.565467758596419
Energy: 1.5526293719619877
Energy: 1.5080155824305008
Energy: 1.5590322806785917
Energy: 1.5080155824296533
Energy: 1.5445474691871606
Energy: 1.503664332895142
Energy: 1.5481592958932995
Energy: 1.503664332895142
Energy: 1.561318524505322
Energy: 1.5068183476110848
Energy: 1.417381558631955
Energy: 1.5068183476110848
Energy: 1.4121554721698901
Energy: 1.5579935017372475
Energy: 1.5589225706369378
Energy: 1.5579935017372475

minimum gb energy = 1.4016996189556057 eV
minimum distance =  2.21017582243736 Angstroms
sigma value = 29


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

Energy: 1.3105201281765497
Energy: 1.312426926296563
Energy: 1.3398679324732423
Energy: 1.5934827847100552
Energy: 1.3459859893782804
Energy: 1.4674446323149908
Energy: 1.3455712904690085
Energy: 1.4674446323149908
Energy: 1.3313296779456367
Energy: 1.4339756610399674
Energy: 1.3172107763502365
Energy: 1.4339756610393772
Energy: 1.3187271009648662
Energy: 1.3378922570446043
Energy: 1.3382428986030375
Energy: 1.3378922570446043
Energy: 1.3340206685850298
Energy: 1.3411207456277874
Energy: 1.319551878116261
Energy: 1.3411207456277874
Energy: 1.3371344967229153
Energy: 1.4432936739674775
Energy: 1.3218439690002426
Energy: 1.4432936739550803
Energy: 1.31706408662384
Energy: 1.432825373888614
Energy: 1.3327096933088487
Energy: 1.4328253738883516
Energy: 1.3430548569155858
Energy: 1.3447540102703757
Energy: 1.31842621364734
Energy: 1.3447540102703757
Energy: 1.3193112642876537
Energy: 1.3397437942102066
Energy: 1.342432522933635
Energy: 1.3397437942105015

minimum gb energy = 1.3105201281765497 eV
minimum distance =  2.25471597104838 Angstroms
sigma value = 5


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

Energy: 1.7730484815244438
Energy: 1.287612597747434
Energy: 1.52408768960995
Energy: 1.323561653568632
Energy: 1.350937272314149
Energy: 1.326233645466373
Energy: 1.5466127356423072
Energy: 1.326233645466373
Energy: 1.5459810172816797
Energy: 1.4427691147909165
Energy: 1.551821558056691
Energy: 1.4427691147901158
Energy: 1.3532215293577416
Energy: 1.3199761238815513
Energy: 1.5350231097833784
Energy: 1.3199761238831522
Energy: 1.532805407555742
Energy: 1.3215238668925802
Energy: 1.5479595267413022
Energy: 1.3215238668893785
Energy: 1.3214102564807217
Energy: 1.3228614526344808
Energy: 1.5488580048167415
Energy: 1.322861452636082
Energy: 1.3208722985634347
Energy: 1.3201241346171853
Energy: 1.5354895729525155
Energy: 1.3201241346179855
Energy: 1.3230266666775998
Energy: 1.326623430226147
Energy: 1.7145439568272176
Energy: 1.326623430226147
Energy: 1.3557271873748153
Energy: 1.3769869879087258
Energy: 1.719639871379508
Energy: 1.3769869879087258
Energy: 1.5604254532765356
Energy: 1.2932472156033414
Energy: 1.3050683597146762
Energy: 1.2932472156041421
Energy: 1.3565943043010738
Energy: 1.29001236425941
Energy: 1.2913877823877895
Energy: 1.2900123642602102
Energy: 1.734926010041126
Energy: 1.2890649756041823
Energy: 1.2898973796917663
Energy: 1.289064975604983
Energy: 1.74329453519168
Energy: 1.2891844228109446
Energy: 1.28827505632411
Energy: 1.2891844228109446
Energy: 1.321468805193124
Energy: 1.3723857071550563
Energy: 1.5476436223955978
Energy: 1.3723857071550563
Energy: 1.3253064096802483
Energy: 1.3215434724336304
Energy: 1.5432234923860293
Energy: 1.32154347243283
Energy: 1.3278090000203466
Energy: 1.3246653305991303
Energy: 1.4997363783858386
Energy: 1.3246653305999307
Energy: 1.322247707487268
Energy: 1.322406160389611
Energy: 1.3494206607401873
Energy: 1.3224061603904111
Energy: 1.5684050895140096
Energy: 1.3257486922777382
Energy: 1.3511283341008467
Energy: 1.3257486922785389
Energy: 1.5549425093212796
Energy: 1.4458168421384145
Energy: 1.547602876514117
Energy: 1.4458168421384145
Energy: 1.5368068564884476
Energy: 1.3199117520001586
Energy: 1.3494712301062426
Energy: 1.3199117520001586
Energy: 1.5422464349911023
Energy: 1.327254229955321
Energy: 1.5045925997425478
Energy: 1.3272542299545202
Energy: 1.5477378667294241
Energy: 1.3202836131624203
Energy: 1.322247357368557
Energy: 1.3202836131616196
Energy: 1.5330785423466566
Energy: 1.320841965106207
Energy: 1.3230263578552746
Energy: 1.3208419651070076
Energy: 1.7161477237185052
Energy: 1.3247105788852502
Energy: 1.3305043844636095
Energy: 1.3247105788860505
Energy: 1.7188879021148764
Energy: 1.3742226927042838
Energy: 1.3568112155483614
Energy: 1.3742226927042838
Energy: 1.2901766537486794
Energy: 1.2946054413289105
Energy: 1.5603669739621544
Energy: 1.294605441329711
Energy: 1.3032081651816694
Energy: 1.2933440297384777
Energy: 1.3572265099683074
Energy: 1.2933440297368768
Energy: 1.289235587891576
Energy: 1.2947351477927316
Energy: 1.393993516232806
Energy: 1.294735147793532
Energy: 1.2880696337159232
Energy: 1.2911371970514904
Energy: 1.7076448524173582
Energy: 1.2911371970514904
Energy: 1.5469493852787695
Energy: 1.3714120348683523
Energy: 1.3555014061556698
Energy: 1.371412034869153
Energy: 1.5471621147883896
Energy: 1.3229043703542473
Energy: 1.3240032596241056
Energy: 1.3229043703542473
Energy: 1.5001404799294662
Energy: 1.3225758431119863
Energy: 1.3231575763140682
Energy: 1.3225758431103851
Energy: 1.3522103536309502
Energy: 1.320328240733864
Energy: 1.32064017361275
Energy: 1.320328240733864

minimum gb energy = 1.287612597747434 eV
minimum distance =  2.22070685856889 Angstroms
sigma value = 1


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

Energy: 1.8806014470958377
Energy: 1.226870554374083
Energy: 1.265007764038851
Energy: 1.2651872922001957
Energy: 1.301586791949679
Energy: 1.268240107933806
Energy: 1.536980210115472
Energy: 1.2682401079349126
Energy: 1.5370665010803906
Energy: 1.4174283768633786
Energy: 1.5404401347953436
Energy: 1.4174283768622715
Energy: 1.295492733572534
Energy: 1.419613332424271
Energy: 1.5163607336772278
Energy: 1.419613332424271
Energy: 1.2646560305342285
Energy: 1.2630057687369538
Energy: 1.5573371131827325
Energy: 1.2630057687369538
Energy: 1.2634956941507358
Energy: 1.26612678813908
Energy: 1.557777955243036
Energy: 1.2661267881412939
Energy: 1.260293357997237
Energy: 1.2618227741027683
Energy: 1.516929396194184
Energy: 1.2618227741005545
Energy: 1.2765688248466094
Energy: 1.2724874128592472
Energy: 1.7255521045310775
Energy: 1.2724874128581403
Energy: 1.519786604391587
Energy: 1.3516864758199605
Energy: 1.7269680889855497
Energy: 1.3516864758188536
Energy: 1.5845704747433995
Energy: 1.2750033823051803
Energy: 1.296982948142686
Energy: 1.2750033823040734
Energy: 1.5180776632732604
Energy: 1.261768013754411
Energy: 1.2612514808855304
Energy: 1.2617680137555178
Energy: 1.2272293154430587
Energy: 1.2801249519572806
Energy: 1.2640496346809509
Energy: 1.2801249519572806
Energy: 1.7277314676204936
Energy: 1.263262112818866
Energy: 1.263152895547354
Energy: 1.263262112817759
Energy: 1.2665454247377481
Energy: 1.4182167445516174
Energy: 1.539858638817629
Energy: 1.418216744552724
Energy: 1.298316875139786
Energy: 1.4161387091048694
Energy: 1.537077693678668
Energy: 1.416138709102656
Energy: 1.2931756367235236
Energy: 1.2658606389625102
Energy: 1.2673123065116543
Energy: 1.2658606389614036
Energy: 1.2646670029968425
Energy: 1.2654389437019375
Energy: 1.5588584910926522
Energy: 1.2654389437019375
Energy: 1.2780198536332865
Energy: 1.2733102400467957
Energy: 1.5131608687722204
Energy: 1.2733102400479022
Energy: 1.260589979573676
Energy: 1.262760116255407
Energy: 1.727594926456996
Energy: 1.262760116255407
Energy: 1.2668261197847206
Energy: 1.276390371964344
Energy: 1.7254354616249146
Energy: 1.2763903719588099
Energy: 1.5569077038835808
Energy: 1.3418108486518292
Energy: 1.267368267348134
Energy: 1.3418108486507225
Energy: 1.5589459862750525
Energy: 1.2654351156587123
Energy: 1.2687861569407155
Energy: 1.2654351156587123
Energy: 1.2667241939854867
Energy: 1.2620873910094963
Energy: 1.2635851910162872
Energy: 1.2620873910094963
Energy: 1.7280215581107374
Energy: 1.2631205018287437
Energy: 1.2626343014302572
Energy: 1.2631205018265301

minimum gb energy = 1.226870554374083 eV
minimum distance =  2.22798327166405 Angstroms
sigma value = 17


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

Energy: 2.0003072843774685
Energy: 1.2282663983375617
Energy: 1.4830031848783296
Energy: 1.2572841308985527
Energy: 1.3369123888975791
Energy: 1.254496731668721
Energy: 1.4233642852526616
Energy: 1.254496731668721
Energy: 1.6200934162952378
Energy: 1.249306395547399
Energy: 1.449287811194809
Energy: 1.249306395556976
Energy: 1.6219711960537004
Energy: 1.332600514009897
Energy: 1.408140406980348
Energy: 1.332600514010581
Energy: 1.3885842476027632
Energy: 1.2286189354693158
Energy: 1.424278608202352
Energy: 1.2286189354686314
Energy: 1.2295836036882326
Energy: 1.228127214749581
Energy: 1.3888000334774782
Energy: 1.228127214749581
Energy: 1.2296552000411247
Energy: 1.2273698288571433
Energy: 1.2742030003990799
Energy: 1.2273698288571433
Energy: 1.2402788375015985
Energy: 1.2310837221198123
Energy: 1.2302301335219543
Energy: 1.2310837221191284
Energy: 1.600451491657178
Energy: 1.2316505241138367
Energy: 1.5518810244068062
Energy: 1.2316505241138367
Energy: 1.4465420887749743
Energy: 1.3339647657353493
Energy: 1.4257630601255131
Energy: 1.3339647657367175
Energy: 1.3912028531865435
Energy: 1.2499646208913324
Energy: 1.268477186457023
Energy: 1.2499646208913324
Energy: 1.3864203917623328
Energy: 1.261531820604857
Energy: 1.4104788974789195
Energy: 1.2615318206034885
Energy: 1.3860093437320102
Energy: 1.250772086971548
Energy: 1.2516069999666295
Energy: 1.250772086970864
Energy: 1.251858167746766
Energy: 1.249616353736994
Energy: 1.2536681733672532
Energy: 1.249616353736994
Energy: 1.6152662860670768
Energy: 1.2541173505739973
Energy: 1.2643606353321495
Energy: 1.2541173505746817
Energy: 1.4364840837220243
Energy: 1.257490267233724
Energy: 1.2558750815689799
Energy: 1.257490267233724
Energy: 1.2508947111487532
Energy: 1.2604051081117011
Energy: 1.4336885891585616
Energy: 1.260405108111017
Energy: 1.2504477926185331
Energy: 1.2494457594911155
Energy: 1.6033599350692627
Energy: 1.2494457594917994
Energy: 1.2776706008440122
Energy: 1.2549746289669435
Energy: 1.546588600073677
Energy: 1.2549746289676273
Energy: 1.2531541830318542
Energy: 1.407728561351385
Energy: 1.2324982425619897
Energy: 1.407728561351385
Energy: 1.4548342405478314
Energy: 1.2534622505496933
Energy: 1.2530031297616435
Energy: 1.2534622505496933
Energy: 1.451505658103952
Energy: 1.2567579571126342
Energy: 1.6164850838053655
Energy: 1.2567579571126342
Energy: 1.4085658904442322
Energy: 1.3285405959647822
Energy: 1.618612226112164
Energy: 1.3285405959647822
Energy: 1.425339413166496
Energy: 1.230875626024017
Energy: 1.3877975470090687
Energy: 1.230875626024701
Energy: 1.3890061626056711
Energy: 1.2292215051156012
Energy: 1.2281345453722559
Energy: 1.2292215051162851
Energy: 1.4111129709383088
Energy: 1.2288151281062656
Energy: 1.2352533533007481
Energy: 1.2288151281069497
Energy: 1.2358682716189957
Energy: 1.233224631798209
Energy: 1.2426784034403051
Energy: 1.233224631798209
Energy: 1.412229319392995
Energy: 1.2322327218454552
Energy: 1.6063004731940864
Energy: 1.2322327218454552
Energy: 1.423343967783677
Energy: 1.3315113846109587
Energy: 1.4463910881399331
Energy: 1.3315113846102749
Energy: 1.2702270665630937
Energy: 1.2499314775619013
Energy: 1.3902741817057487
Energy: 1.2499314775632695
Energy: 1.4096396455644453
Energy: 1.2500144704041918
Energy: 1.3864423221021984
Energy: 1.2500144704028235
Energy: 1.2503003629417364
Energy: 1.2502345912280193
Energy: 1.3875298069425732
Energy: 1.2502345912280193
Energy: 1.2502486543148272
Energy: 1.2487755971867212
Energy: 1.2525536309546925
Energy: 1.2487755971867212
Energy: 1.2634236229410991
Energy: 1.2564563261590784
Energy: 1.6186392470348434
Energy: 1.2564563261590784
Energy: 1.2568947111672528
Energy: 1.3014127790922274
Energy: 1.4375989961284112
Energy: 1.3014127790929118
Energy: 1.8136910955206988
Energy: 1.261212386740646
Energy: 1.2513362898856355
Energy: 1.2612123867399618
Energy: 1.596956240974252
Energy: 1.2495026828027411
Energy: 1.251352593290228
Energy: 1.249502682802057
Energy: 1.5533659251374305
Energy: 1.2605979624667596
Energy: 1.2511287847708812
Energy: 1.2605979624667596

minimum gb energy = 1.2273698288571433 eV
minimum distance =  2.21981145868776 Angstroms
sigma value = 89


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

Energy: 2.3837747081058316
Energy: 1.185090435616742
Energy: 1.2221905003491793
Energy: 1.222655752508966
Energy: 1.38873511263998
Energy: 1.3527907461483684
Energy: 1.2527213891267974
Energy: 1.3527907461483684
Energy: 1.3878812558392013
Energy: 1.3546707796550208
Energy: 1.255187500421092
Energy: 1.354670779656811
Energy: 1.3785714045463269
Energy: 1.3538916203109168
Energy: 1.1406769277493236
Energy: 1.3538916203109168
Energy: 1.3443862010446492
Energy: 1.1367585114241934
Energy: 1.39057427794435
Energy: 1.1367585114241934
Energy: 1.3434676385460311
Energy: 1.137277568987927
Energy: 1.3949199521655022
Energy: 1.137277568987927
Energy: 1.34163940363949
Energy: 1.1362467392809033
Energy: 1.142057091392373
Energy: 1.1362467392809033
Energy: 1.3408648568625514
Energy: 1.1370672752113702
Energy: 1.1372306778796561
Energy: 1.1370672752113702
Energy: 1.3453408809606995
Energy: 1.1382890960764918
Energy: 1.1369731141213848
Energy: 1.1382890960764918
Energy: 1.34206474318723
Energy: 1.2637061825268638
Energy: 1.154195108573409
Energy: 1.263706182525074
Energy: 1.3446798717683874
Energy: 1.266260404895044
Energy: 1.3767625537220105
Energy: 1.266260404895044
Energy: 1.3932055134008678
Energy: 1.2267208072064824
Energy: 1.1400500221697483
Energy: 1.2267208072046925
Energy: 1.3908463359766066
Energy: 1.2237480185450946
Energy: 1.2441729012900709
Energy: 1.2237480185450946
Energy: 1.3452394228443023
Energy: 1.2197877879216465
Energy: 1.2195295420853052
Energy: 1.2197877879216465
Energy: 1.3883139795252954
Energy: 1.2210291030479297
Energy: 1.2235439246891218
Energy: 1.2210291030479297

minimum gb energy = 1.1362467392809033 eV
minimum distance =  2.21728650070641 Angstroms
sigma value = 13


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

Energy: 1.986811532690291
Energy: 1.0959188694029207
Energy: 1.382074654993858
Energy: 1.100672705522304
Energy: 1.1830844672441958
Energy: 1.1004342197601589
Energy: 1.2893039385412313
Energy: 1.1004342197586585
Energy: 1.1974808766096503
Energy: 1.0971545882129559
Energy: 1.2995163815459074
Energy: 1.0971545882129559
Energy: 1.5713588482038547
Energy: 1.1812961305321303
Energy: 1.2775075091251977
Energy: 1.1812961305823946
Energy: 1.2846768068146017
Energy: 1.3266990315931226
Energy: 1.3462034145556356
Energy: 1.3266990315923726
Energy: 1.3033245304948806
Energy: 1.1016636114490026
Energy: 1.1966819076337936
Energy: 1.1016636114505032
Energy: 1.2992790031536727
Energy: 1.1000452062153727
Energy: 1.2733694989333924
Energy: 1.1000452062153727
Energy: 1.267871128175173
Energy: 1.1044276777265492
Energy: 1.3466263200197146
Energy: 1.1044276777272992
Energy: 1.0994469276667582
Energy: 1.1072019112510025
Energy: 1.235720601076659
Energy: 1.107201911252503
Energy: 1.1041515356715441
Energy: 1.1000092640770835
Energy: 1.2803434876791735
Energy: 1.1000092640770835
Energy: 1.1032603462567452
Energy: 1.1009496730781558
Energy: 1.9867018263618974
Energy: 1.1009496730841575
Energy: 1.098002813284846
Energy: 1.1002258323747798
Energy: 1.2806635865702445
Energy: 1.1002258323762801
Energy: 1.3119039549388616
Energy: 1.174344819854514
Energy: 1.2727838898446182
Energy: 1.1743448198567648
Energy: 1.1069778347110195
Energy: 1.1743438059357214
Energy: 1.5712164575431256
Energy: 1.174343805936472
Energy: 1.3468145249191092
Energy: 1.083367160973767
Energy: 1.2732441030059942
Energy: 1.083367160973767
Energy: 1.3465907716110996
Energy: 1.0811605483933355
Energy: 1.1863196784277048
Energy: 1.0811605483933355
Energy: 1.1027928505642872
Energy: 1.0799693197474718
Energy: 1.1818686611558915
Energy: 1.0799693197474718
Energy: 1.1039670031153717
Energy: 1.0795767542737689
Energy: 1.1720914053746767
Energy: 1.0795767542730186
Energy: 1.428690989833359
Energy: 1.0847599430037749
Energy: 1.344856116315101
Energy: 1.0847599430045252
Energy: 1.1002657642996636
Energy: 1.083390613960868
Energy: 1.382468731208041
Energy: 1.0833906139593676
Energy: 1.576394150453392
Energy: 1.0827851282474357
Energy: 1.3473893688682228
Energy: 1.0827851282459353
Energy: 1.0992563630543566
Energy: 1.3368066666366312
Energy: 1.1848240922413407
Energy: 1.3368066666373815
Energy: 1.2770277132687071
Energy: 1.1072115562693239
Energy: 1.3464249756404099
Energy: 1.107211556270074
Energy: 1.194385000170158
Energy: 1.102568318005251
Energy: 1.2780761287098545
Energy: 1.1025683180045007
Energy: 1.1005138203767841
Energy: 1.1006097848991443
Energy: 1.3468878057299718
Energy: 1.100609784898394
Energy: 1.100862302739425
Energy: 1.0999414058882304
Energy: 1.3467809149025716
Energy: 1.0999414058882304
Energy: 1.0982667908619388
Energy: 1.0979712329330116
Energy: 1.2792062426300725
Energy: 1.0979712329323297
Energy: 1.1284949870846217
Energy: 1.107120213806753
Energy: 1.1933276637240993
Energy: 1.107120213806753
Energy: 1.2714127333442733
Energy: 1.1028634949934428
Energy: 1.4124823637115167
Energy: 1.1028634949926925
Energy: 1.3816856571496015
Energy: 1.180075901685918
Energy: 1.468556055557778
Energy: 1.1800759016844173
Energy: 1.484377080851832
Energy: 1.1738456383743963
Energy: 1.577923867143763
Energy: 1.1738456383736462
Energy: 1.3471155063313625
Energy: 1.0981626184277227
Energy: 1.4681450847034576
Energy: 1.0981626184269726
Energy: 1.3468642737596082
Energy: 1.100742092316882
Energy: 1.1207060960408968
Energy: 1.1007420923161317
Energy: 1.4861178788358165
Energy: 1.0951352479517955
Energy: 1.0958870472646536
Energy: 1.0951352479517955
Energy: 1.4106365311092055
Energy: 1.0975429927887244
Energy: 1.1043641808449676
Energy: 1.0975429927887244

minimum gb energy = 1.0795767542730186 eV
minimum distance =  2.23195958604221 Angstroms
sigma value = 37


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

Energy: 1.6537919203697182
Energy: 1.0048838938587954
Energy: 1.0021959113458185
Energy: 1.0028662680550153
Energy: 1.5970210371672122
Energy: 1.002601481505318
Energy: 1.3065606006914336
Energy: 1.002601481505318
Energy: 1.5993480072786448
Energy: 0.9999922258792253
Energy: 1.3132066676555687
Energy: 0.9999922258792253
Energy: 1.5981822694108359
Energy: 1.1432817965275373
Energy: 1.3019938359918553
Energy: 1.1432817965275373
Energy: 1.6104550395608614
Energy: 1.1417022794750005
Energy: 1.309063931386
Energy: 1.1417022794750005
Energy: 1.1812130690498368
Energy: 1.0011080190438377
Energy: 1.3422148872441269
Energy: 1.0011080190438377
Energy: 0.9947470830781457
Energy: 0.9996736245677857
Energy: 1.61287806409801
Energy: 0.9996736245677857
Energy: 1.0188054669680546
Energy: 1.0010108225403296
Energy: 1.6037174356250647
Energy: 1.0010108225403296
Energy: 1.0005494896232303
Energy: 1.0065551357171818
Energy: 1.604057771128609
Energy: 1.0065551357171818
Energy: 1.0005221573598408
Energy: 1.002434840234005
Energy: 1.4878431021552172
Energy: 1.002434840234005
Energy: 1.00219573505097
Energy: 1.0028662677763367
Energy: 1.6537919203697182
Energy: 1.0048838938575047
Energy: 1.3065606006901431
Energy: 1.002601481505318
Energy: 1.486709868105541
Energy: 1.002601481505318
Energy: 1.3132066676555687
Energy: 0.9999922258805161
Energy: 1.5993480072786448
Energy: 0.9999922258805161
Energy: 1.3019938359931458
Energy: 1.1432817965275373
Energy: 1.5981822694108359
Energy: 1.1432817965275373
Energy: 1.3090639313847092
Energy: 1.1417022794750005
Energy: 1.6104550395608614
Energy: 1.1417022794750005
Energy: 1.4851271653445166
Energy: 1.0011080190438377
Energy: 0.9948315589936617
Energy: 1.0011080190438377
Energy: 1.61287806409801
Energy: 0.9996736245677857
Energy: 0.9947470830781457
Energy: 0.9996736245677857
Energy: 1.603717435623774
Energy: 1.001010822539039
Energy: 1.0188054669680546
Energy: 1.001010822539039
Energy: 1.6040577711453885
Energy: 1.006555135715891
Energy: 1.0005494896232303
Energy: 1.0065551357171818
Energy: 1.5970210370356175
Energy: 1.002434840234005
Energy: 1.0005221573611314
Energy: 1.002434840234005

minimum gb energy = 0.9947470830781457 eV
minimum distance =  2.24972270736057 Angstroms
sigma value = 25


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

Energy: 1.9464796196064098
Energy: 0.9123091200185448
Energy: 1.2333807709139526
Energy: 0.9011539275755017
Energy: 1.392132926255393
Energy: 0.8992901859096866
Energy: 1.1456136557846204
Energy: 0.8992901859096866
Energy: 1.7790335192712472
Energy: 0.8979364533163432
Energy: 1.1508878795786364
Energy: 0.8979364533173513
Energy: 1.3920575636819523
Energy: 0.9007378604023643
Energy: 1.1457223011679252
Energy: 0.900737860403372
Energy: 1.4136017819766857
Energy: 1.0100080760455474
Energy: 1.5893627437538687
Energy: 1.0100080760465553
Energy: 1.3928780586778269
Energy: 1.0076553390827032
Energy: 1.5897613320293023
Energy: 1.0076553390806873
Energy: 1.3963458205149084
Energy: 1.0097234472947951
Energy: 1.4131849366919043
Energy: 1.0097234472947951
Energy: 1.1450055119925109
Energy: 0.9006440589658506
Energy: 1.5899327435993715
Energy: 0.9006440589668585
Energy: 1.1510884618099329
Energy: 0.8977634542495407
Energy: 1.5886509782618532
Energy: 0.8977634542505487
Energy: 1.1528869863144453
Energy: 0.8994751713671938
Energy: 1.5882868984944065
Energy: 0.8994751713682017
Energy: 0.898877120785205
Energy: 0.9049072942986901
Energy: 1.668233913218943
Energy: 0.9049072942976822
Energy: 0.9050636083730186
Energy: 0.8990395189825962
Energy: 1.5890600439071128
Energy: 0.8990395189825962
Energy: 0.9012785924559081
Energy: 0.8978437159654219
Energy: 1.391689492563959
Energy: 0.8978437159654219
Energy: 0.9248883247641391
Energy: 0.8981650739998079
Energy: 1.7685334511472828
Energy: 0.8981650739988002
Energy: 1.150631679042126
Energy: 0.8973549311450124
Energy: 1.7800466846925176
Energy: 0.8973549311450124
Energy: 1.1476402054256039
Energy: 0.9001592481819174
Energy: 1.772874031048645
Energy: 0.9001592481829253
Energy: 1.4158238477101535
Energy: 0.9017795255700526
Energy: 1.7726381236733264
Energy: 0.9017795255700526
Energy: 1.144811968244254
Energy: 1.0158818852952016
Energy: 1.5935899483684908
Energy: 1.0158818852962097
Energy: 1.5877931684347044
Energy: 1.009496090915804
Energy: 1.3961020955983658
Energy: 1.0094960909147959
Energy: 1.5895294148154566
Energy: 1.0087362136591767
Energy: 1.393574694510099
Energy: 1.0087362136591767
Energy: 1.6703877943988599
Energy: 0.9038715318086691
Energy: 1.1457490385240554
Energy: 0.9038715318086691
Energy: 1.5925095195796526
Energy: 0.8965659724362889
Energy: 0.8992373784489437
Energy: 0.8965659724372967
Energy: 1.5857693537553024
Energy: 0.9022414029064648
Energy: 1.145271652218957
Energy: 0.9022414029064648
Energy: 1.5938462476950304
Energy: 0.9018997903379448
Energy: 0.8995044093356396
Energy: 0.9018997903379448
Energy: 1.7799547211152162
Energy: 0.8972631716874238
Energy: 0.8986876593129605
Energy: 0.8972631716874238
Energy: 1.768191646967393
Energy: 0.9006839852169727
Energy: 0.899782860189126
Energy: 0.9006839852159648

minimum gb energy = 0.8965659724362889 eV
minimum distance =  2.25210200190602 Angstroms
sigma value = 41


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

Energy: 2.12812007331769
Energy: 0.8405746589594454
Energy: 1.1796691194374018
Energy: 0.8248856600852971
Energy: 1.5750438800654323
Energy: 0.8229792985473806
Energy: 1.026863714454415
Energy: 0.8229792985449017
Energy: 1.8960019098419199
Energy: 0.8209061908934681
Energy: 1.031700742078392
Energy: 0.8209061908926418
Energy: 1.569001235259535
Energy: 0.8251928404496106
Energy: 1.2608963815600087
Energy: 0.8251928404496106
Energy: 1.5849296135242414
Energy: 0.8187013712393182
Energy: 1.4082068604928286
Energy: 0.8187013712376656
Energy: 1.574316420406943
Energy: 0.8201839374998764
Energy: 1.4062974956399634
Energy: 0.82018393749905
Energy: 1.5814652360370236
Energy: 0.9158438571335208
Energy: 1.5846045763664396
Energy: 0.9158438571351734
Energy: 1.4073074323053743
Energy: 0.9168419389683261
Energy: 1.406689013758159
Energy: 0.9168419389674998
Energy: 1.2321597210065545
Energy: 0.8213345741878931
Energy: 1.7352815200009446
Energy: 0.8213345741870669
Energy: 1.2343272834106027
Energy: 0.8189385344696517
Energy: 1.5858414940270278
Energy: 0.8189385344506468
Energy: 1.0282641328929911
Energy: 0.8278799700296586
Energy: 1.7302100367194388
Energy: 0.8278799700296586
Energy: 1.02512805998534
Energy: 0.8193309278581776
Energy: 1.7322120034958117
Energy: 0.8193309278598302
Energy: 1.0289135741616644
Energy: 0.8236622419681875
Energy: 1.7315894415573772
Energy: 0.8236622419681875
Energy: 0.8210006969909088
Energy: 0.8254362419015456
Energy: 1.7266902689261223
Energy: 0.8254362419015456
Energy: 0.8235785382954625
Energy: 0.8207905546636433
Energy: 1.7350246737912938
Energy: 0.8207905546636433
Energy: 0.8299093785848445
Energy: 0.8238484709541851
Energy: 1.8964715840644681
Energy: 0.8238484709550115
Energy: 1.0283955155846933
Energy: 0.8267465609552813
Energy: 1.8820692689513803
Energy: 0.8267465609552813
Energy: 1.0215038171717326
Energy: 0.8189509163180088
Energy: 1.890333141578332
Energy: 0.818950916318835
Energy: 1.031234531272704
Energy: 0.825326376386565
Energy: 1.5785508791764602
Energy: 0.8253263763858139
Energy: 1.4101610922960741
Energy: 0.8231571129023437
Energy: 1.5752089763557895
Energy: 0.823157112908128
Energy: 1.4104862280197679
Energy: 0.820297294412323
Energy: 1.7319405631787648
Energy: 0.8202972944106702
Energy: 1.4110296779131726
Energy: 0.9120130537389821
Energy: 1.5703250220644989
Energy: 0.9120130537422872
Energy: 1.7360639390644457
Energy: 0.9103293186767777
Energy: 1.5713906688829633
Energy: 0.9103293186792565
Energy: 1.4058456788829101
Energy: 0.9138364119231542
Energy: 1.409474783957819
Energy: 0.9138364119231542
Energy: 1.7334431170234486
Energy: 0.8201470849750442
Energy: 1.2198659477625573
Energy: 0.8201470849733915
Energy: 1.735725263232652
Energy: 0.8221488881021929
Energy: 1.4058609162495481
Energy: 0.8221488881038455
Energy: 1.729660872606716
Energy: 0.8258975715169125
Energy: 1.0319390761046348
Energy: 0.8258975715152597
Energy: 1.7368191441276166
Energy: 0.8198996003348719
Energy: 1.020446266545212
Energy: 0.8198996003365244
Energy: 1.7277309562529668
Energy: 0.8259012441471819
Energy: 1.038646864609308
Energy: 0.8259012441471819
Energy: 1.7358489371192116
Energy: 0.8242199794736073
Energy: 0.8239709861344238
Energy: 0.8242199794736073
Energy: 1.8901053113559079
Energy: 0.8215026410538594
Energy: 0.8228522798890814
Energy: 0.8215026410538594
Energy: 1.8817433919654891
Energy: 0.8231427665631925
Energy: 0.8215767613354924
Energy: 0.8231427665623663

minimum gb energy = 0.8187013712376656 eV
minimum distance =  2.24789254417575 Angstroms
sigma value = 15


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

Energy: 1.8456860321040478
Energy: 0.7814038656599566
Energy: 1.1340127587523434
Energy: 0.7629005235404739
Energy: 1.6968088606038507
Energy: 0.7630686139046996
Energy: 0.9357674852989546
Energy: 0.7630686139039996
Energy: 1.9769328836667577
Energy: 0.761536067402285
Energy: 0.9408586661293185
Energy: 0.761536067404385
Energy: 1.693960062632298
Energy: 0.7645584706656117
Energy: 1.28085230205394
Energy: 0.7645584706663116
Energy: 1.7069588184220297
Energy: 0.7576850329599836
Energy: 1.2645307780411308
Energy: 0.7576850329585836
Energy: 1.7015517292579494
Energy: 0.7588475641290556
Energy: 1.2641292763689536
Energy: 0.7588475641304555
Energy: 1.4166609985538723
Energy: 0.7590911537481734
Energy: 1.5604703850126111
Energy: 0.7590911537467734
Energy: 1.5680991806642885
Energy: 0.8449800069912022
Energy: 1.2590865399945474
Energy: 0.8449800069912022
Energy: 1.41355309858061
Energy: 0.8364451334778898
Energy: 1.5543245261595175
Energy: 0.8364451334757897
Energy: 1.4112560284273636
Energy: 0.8375403529225565
Energy: 1.8334774762915105
Energy: 0.8375403529253563
Energy: 1.2792201578556848
Energy: 0.7628172676111324
Energy: 1.5542598841522393
Energy: 0.7628172676125325
Energy: 1.0998432933295812
Energy: 0.7577572840155367
Energy: 1.8327570483135867
Energy: 0.7577572840106367
Energy: 1.2663039222656471
Energy: 0.7592871095633961
Energy: 1.8364515677288111
Energy: 0.7592871095640962
Energy: 0.9519551587019666
Energy: 0.7655967484033536
Energy: 1.566542160381685
Energy: 0.7655967484026536
Energy: 0.929282767677698
Energy: 0.7587584376945854
Energy: 1.967060149947408
Energy: 0.7587584376959853
Energy: 0.9435861740296724
Energy: 0.7620024076579616
Energy: 1.8383008668809477
Energy: 0.7620024076593617
Energy: 0.7699703176944513
Energy: 0.7658464931144291
Energy: 1.8293388356616673
Energy: 0.765846493115129
Energy: 0.7589665967762727
Energy: 0.7593890781990459
Energy: 1.9664997962447746
Energy: 0.7593890781983458
Energy: 0.7678774935817594
Energy: 0.7643182669878048
Energy: 1.705899273373171
Energy: 0.7643182669892048
Energy: 0.947300268372874
Energy: 0.7625355049092902
Energy: 1.9796785477131063
Energy: 0.7625355049085902
Energy: 0.925590728177137
Energy: 0.7590360044162471
Energy: 1.8330940600882353
Energy: 0.759036004414847
Energy: 0.9516556870127856
Energy: 0.764575744187594
Energy: 1.7130243734291726
Energy: 0.7645757441882941
Energy: 1.2659968933635406
Energy: 0.7604570788533674
Energy: 1.6979081377475411
Energy: 0.7604570788533674
Energy: 1.263516144480001
Energy: 0.7579122783462132
Energy: 1.834459814050775
Energy: 0.7579122783434131
Energy: 1.2759633619202486
Energy: 0.7631880040896019
Energy: 1.425208007286808
Energy: 0.7631880040903019
Energy: 1.5577788274161404
Energy: 0.8369160133068951
Energy: 1.7113260082081836
Energy: 0.8369160133047953
Energy: 1.2613661933297862
Energy: 0.8364733750836812
Energy: 1.556492101991965
Energy: 0.8364733750843814
Energy: 1.5668091602349303
Energy: 0.8446712906333254
Energy: 1.4252012496319655
Energy: 0.8446712906326254
Energy: 1.5625586957265774
Energy: 0.7622077656401031
Energy: 1.559259720057378
Energy: 0.762207765639403
Energy: 1.5568877150584342
Energy: 0.7591022526128541
Energy: 1.2667883356513432
Energy: 0.7591022525856181
Energy: 1.7037581768333019
Energy: 0.7587201381123302
Energy: 1.1010284274854785
Energy: 0.7587201381123302
Energy: 1.5650799698718523
Energy: 0.7639889054234952
Energy: 1.2784592247615365
Energy: 0.7639889054241952
Energy: 1.8373629951074455
Energy: 0.7613223655761383
Energy: 0.9429794989477329
Energy: 0.7613223655754382
Energy: 1.8311733427427122
Energy: 0.7616836861719218
Energy: 0.9430376354258311
Energy: 0.761683686169822
Energy: 1.8283334267037765
Energy: 0.7664257990935347
Energy: 0.7911212351046714
Energy: 0.7664257990970346
Energy: 1.8319927800241613
Energy: 0.7612427448018682
Energy: 0.7673803643929795
Energy: 0.7612427448018682
Energy: 1.9711524735383397
Energy: 0.7616001540609991
Energy: 0.764267541911982
Energy: 0.7616001540616992

minimum gb energy = 0.7576850329585836 eV
minimum distance =  2.24959988159605 Angstroms
sigma value = 85


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

Energy: 1.9662479753995037
Energy: 0.7299334279184893
Energy: 0.6902997157110652
Energy: 0.6901799461311576
Energy: 1.7720891931717075
Energy: 0.6910719278747001
Energy: 0.8418184270594911
Energy: 0.6910719278747001
Energy: 1.7713896509561888
Energy: 0.6906885148217569
Energy: 0.8375437862939235
Energy: 0.690688514822364
Energy: 1.5162012652624106
Energy: 0.6888950406766915
Energy: 1.1336993825979655
Energy: 0.6888950406766915
Energy: 1.7804589321521567
Energy: 0.6880880930817675
Energy: 1.131263403219298
Energy: 0.6880880930811605
Energy: 1.5198764010313826
Energy: 0.6891767326297644
Energy: 1.1368125736330106
Energy: 0.6891767326309785
Energy: 1.517268665808588
Energy: 0.6896142888665991
Energy: 1.3944213063297761
Energy: 0.6896142888671786
Energy: 1.6485740376371374
Energy: 0.6882204471251118
Energy: 1.126387807488176
Energy: 0.6882204471220763
Energy: 1.5202844647153708
Energy: 0.6891931386627472
Energy: 1.3952588924450051
Energy: 0.6891931386627472
Energy: 1.5243570522995487
Energy: 0.8202598995861465
Energy: 1.6465030453019738
Energy: 0.8202598995867537
Energy: 1.3945979970033926
Energy: 0.8194697312141379
Energy: 1.3924342909811191
Energy: 0.819469731214745
Energy: 1.2692053103296699
Energy: 0.6894614774931758
Energy: 1.647594498228744
Energy: 0.6894614774901401
Energy: 1.393546436653119
Energy: 0.6884138491532767
Energy: 1.6461584134931126
Energy: 0.6884138491538838
Energy: 1.1343479605408664
Energy: 0.6903659854379697
Energy: 1.389424440154342
Energy: 0.6903659854397634
Energy: 0.9795024676555579
Energy: 0.6883576064793931
Energy: 1.89036200628797
Energy: 0.6883576064812144
Energy: 1.1341912012846893
Energy: 0.691781100427166
Energy: 1.64728680357847
Energy: 0.691781100427166
Energy: 0.8450705594441709
Energy: 0.6886791891459814
Energy: 1.6429225082704566
Energy: 0.6886791891459814
Energy: 0.8345298824925383
Energy: 0.6885524966086463
Energy: 1.7801219315893557
Energy: 0.6885524966086463
Energy: 0.8439116199093258
Energy: 0.6896920492605909
Energy: 1.8854397139020853
Energy: 0.6896920492593767
Energy: 0.6890952630683873
Energy: 0.6939818575855667
Energy: 1.8850430925232673
Energy: 0.6939818575855667
Energy: 0.6896260064892543
Energy: 0.6887912314388767
Energy: 1.893838971597817
Energy: 0.6887912314394837
Energy: 0.6943133606915873
Energy: 0.6904164548493106
Energy: 1.7657658168688386
Energy: 0.6904164548487035
Energy: 0.853049896129238
Energy: 0.6915038751203385
Energy: 2.0015571269857784
Energy: 0.6915038751209457
Energy: 0.8391254038807625
Energy: 0.6884419272647613
Energy: 1.8922601711053948
Energy: 0.6884419272647613
Energy: 0.8446581173249843
Energy: 0.6890599437602234
Energy: 1.516713331268337
Energy: 0.6890599437602234
Energy: 1.135046583181902
Energy: 0.6890585647995736
Energy: 2.0055511909719463
Energy: 0.6890585647995736
Energy: 1.1323023138677708
Energy: 0.68830426948139
Energy: 1.7715386189016673
Energy: 0.68830426948139
Energy: 1.297266371786477
Energy: 0.6921125604394435
Energy: 1.5208301358390046
Energy: 0.6921125604394435
Energy: 1.3984036387029324
Energy: 0.6883402510821818
Energy: 1.780755129706359
Energy: 0.688340251082789
Energy: 1.3945462055293967
Energy: 0.6894751577063745
Energy: 1.520716057479185
Energy: 0.6894751577088029
Energy: 1.6521043771579333
Energy: 0.8207374528648013
Energy: 1.2676040291241675
Energy: 0.8207374528623728
Energy: 1.391571700608375
Energy: 0.8210670308110642
Energy: 1.5394022332203203
Energy: 0.8210670308110642
Energy: 1.6487307938318259
Energy: 0.6895832883749013
Energy: 1.2632802799247382
Energy: 0.6895832883742942
Energy: 1.7829763429459704
Energy: 0.6882967693957401
Energy: 1.264281432596974
Energy: 0.6882967693957401
Energy: 1.389318312852592
Energy: 0.690155291697433
Energy: 1.1349320450765101
Energy: 0.690155291697433
Energy: 1.8938803692849708
Energy: 0.6881950418045466
Energy: 1.1292592918676765
Energy: 0.6881950418051538
Energy: 1.8877796406276373
Energy: 0.6894224392130048
Energy: 1.1351158327137325
Energy: 0.6894224392123977
Energy: 1.6440530988368367
Energy: 0.6886883350460162
Energy: 0.8448358541323342
Energy: 0.6886883350460162
Energy: 1.8926473791727618
Energy: 0.6881793082092607
Energy: 0.8374853140653783
Energy: 0.6881793082092607
Energy: 1.88502593594207
Energy: 0.6887554029849375
Energy: 0.8444408562491245
Energy: 0.6887554029843304
Energy: 1.6414684024849404
Energy: 0.6902022762171712
Energy: 0.6883670053639519
Energy: 0.6902022762177783
Energy: 1.7795441558914817
Energy: 0.688652536431329
Energy: 0.6894271629386639
Energy: 0.688652536431329
Energy: 1.7655051105796993
Energy: 0.6893929065444266
Energy: 0.6892835692228894
Energy: 0.6893929065444266

minimum gb energy = 0.6880880930811605 eV
minimum distance =  2.24755230027033 Angstroms
sigma value = 113


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

Energy: 0.020389826530703772
Energy: 0.02095722225883716
Energy: 1.52667772986114
Energy: 0.6001524353995281
Energy: 0.02136999825119059
Energy: 0.17727812795245487
Energy: 1.099723837519417
Energy: 0.17727812795245487
Energy: 0.021021315656316066
Energy: 0.17462783189774628
Energy: 1.0962381245164252
Energy: 0.17462783189821302
Energy: 0.02294994112020779
Energy: 0.17373441975817225
Energy: 1.0938645053261637
Energy: 0.17373441975952048
Energy: 1.098601048711463
Energy: 0.17762121674842818
Energy: 1.0971414983779801
Energy: 0.1776212167479615
Energy: 0.02090632001880971
Energy: 0.174316978381136
Energy: 1.096859178182422
Energy: 0.17431697838201754

minimum gb energy = 0.020389826530703772 eV
minimum distance =  2.46026935301302 Angstroms
sigma value = 1