Model name: model_name=SNAP_ChenDengTran_2017_Mo__MO_698578166685_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1599882096052174
cohesive_energy=5.130582657262978
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-2.28207631040424e-20, 4.1785567703037e-20, 1.0054667749629419e-19, 1.590812395135038e-19, 2.2331137924691996e-19, 2.9173713893179197e-19, 3.6100724570278198e-19, 4.2810640313470197e-19, 4.90857253181946e-19, 5.47894741352346e-19, 5.98526727340014e-19, 6.425705630086739e-19, 6.802008856114319e-19, 7.118310567198599e-19, 7.380090207427861e-19, 7.593516156842999e-19, 7.76482088255028e-19, 7.900012546927198e-19, 8.004586615828379e-19, 8.083589945650919e-19, 8.14291854640794e-19, 8.185183966012859e-19, 8.21080277039052e-19, 8.21945452421412e-19, 8.20964920321404e-19, 8.17683662574972e-19, 8.115264977705099e-19, 8.01820511721738e-19, 7.877934552910679e-19, 7.68554518269996e-19, 7.4306549019969e-19, 7.101215342513819e-19, 6.68301519750714e-19, 6.15939182998326e-19, 5.51095890267078e-19, 4.71563842155318e-19, 3.74906128002732e-19, 2.58072203498184e-19, 1.171308078348282e-19, -4.92026842124766e-20, -2.4356289190068e-19, -4.74678473531814e-19, -7.613815734795779e-19, -1.134735192323964e-18, -1.6292053538155797e-18, -2.2610076876671397e-18, -3.0073656508496995e-18, -3.84889290609186e-18, -4.78807282717632e-18, -5.85185402508696e-18, -7.50265671992886e-18, -1.1901993430397759e-17, -2.3391618638736597e-17, -5.573892400854299e-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: -17.2757958404 eV

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

Energy: 0.012947425915819493
Energy: 0.014734341142569414
Energy: 4.583163888617988
Energy: 1.6181211459163738
Energy: 0.014734341142569414
Energy: 0.21953265536923933
Energy: 1.6192960244810128
Energy: 0.21953265536923933
Energy: 4.583163888617988
Energy: 1.6192960244810128
Energy: 1.6558458863827594
Energy: 1.6192960244810128
Energy: 1.6181211459155755
Energy: 0.21953265536923933
Energy: 1.6192960244810128
Energy: 0.21953265536923933

minimum gb energy = 0.012947425915819493 eV
minimum distance =  2.68578677984179 Angstroms
sigma value = 1


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

Energy: 2.8725460843497452
Energy: 1.7850036269792646
Energy: 1.7089463467638106
Energy: 2.1715216704246036
Energy: 2.51593358139809
Energy: 1.6616827019528129
Energy: 1.662631920723362
Energy: 1.6616827019528129
Energy: 2.833554304472987
Energy: 1.660306463117454
Energy: 1.6604940003009008
Energy: 1.660306463117454
Energy: 2.674771308592314
Energy: 1.6610352924728027
Energy: 1.6614518246671612
Energy: 1.6610352924728027
Energy: 2.6522912094338347
Energy: 1.660133653509853
Energy: 2.1286719183545637
Energy: 1.660133653509853
Energy: 2.6757601627292615
Energy: 1.89001953675526
Energy: 1.9743586523536183
Energy: 1.89001953675526
Energy: 2.400842969094539
Energy: 1.9046371102158666
Energy: 1.9714592033559928
Energy: 1.9046371102158666
Energy: 2.402086642263646
Energy: 1.8956589231910883
Energy: 1.9778878836209144
Energy: 1.8956589231910883
Energy: 2.257590938945908
Energy: 1.8884954014762645
Energy: 1.9679296575669036
Energy: 1.8884954014762645
Energy: 2.4025403607378033
Energy: 1.9519916732848879
Energy: 2.407633736349103
Energy: 1.9519916732848879
Energy: 2.4022102061171373
Energy: 1.8876567084830997
Energy: 2.2812387993912835
Energy: 1.8876567084830997
Energy: 1.9850842386512222
Energy: 1.9007375197117742
Energy: 2.4058883480334528
Energy: 1.9007375197117742
Energy: 1.9714837802259508
Energy: 1.9003336151768038
Energy: 2.403056027753231
Energy: 1.9003336151768038
Energy: 1.9699956066038138
Energy: 1.891205098871218
Energy: 2.6744397163838607
Energy: 1.891205098871218
Energy: 1.9675474804687227
Energy: 1.6594291093196725
Energy: 2.513253155641394
Energy: 1.6594291093196725
Energy: 1.6632781243971955
Energy: 1.6600379684478181
Energy: 2.8268493003399775
Energy: 1.6600379684478181
Energy: 1.659445179593486
Energy: 1.659904164287431
Energy: 2.829888398347452
Energy: 1.659904164287431
Energy: 1.7212137132929035
Energy: 1.6603301765650154
Energy: 2.4103034921249518
Energy: 1.6603301765650154
Energy: 1.659854635863709
Energy: 1.6624876348519837
Energy: 2.6682565935303
Energy: 1.6624876348519837
Energy: 1.7660854731956455
Energy: 1.7546115591525957
Energy: 2.671607587890775
Energy: 1.7546115591525957
Energy: 1.7704724003210695
Energy: 1.755751476165926
Energy: 2.8352498738442407
Energy: 1.755751476165926
Energy: 1.7777400661099043
Energy: 1.756099123393779
Energy: 2.6774450984821527
Energy: 1.756099123393779
Energy: 1.7721821880012578
Energy: 1.7526784081706293
Energy: 2.398415625962591
Energy: 1.7526784081805842
Energy: 2.19062769876653
Energy: 1.9557882991617486
Energy: 2.6836105425655816
Energy: 1.9557882991617486
Energy: 2.1894996835287928
Energy: 1.9604533648883475
Energy: 2.676875625037405
Energy: 1.9604533648883475
Energy: 2.180928973858345
Energy: 1.9471710259986197
Energy: 2.1814647653320964
Energy: 1.9471710260085746
Energy: 2.18180919914007
Energy: 1.9352809012584673
Energy: 2.2658690555688183
Energy: 1.9352809012584673
Energy: 2.6775201684764784
Energy: 1.9441560299502205
Energy: 2.1805079576190933
Energy: 1.9441560299502205
Energy: 2.513939679103471
Energy: 1.7523964836160555
Energy: 2.178730814066894
Energy: 1.7523964836160555
Energy: 2.527997281074228
Energy: 1.7539306877315404
Energy: 1.7700954834922287
Energy: 1.7539306877315404
Energy: 2.684794781258136
Energy: 1.7511197670622007
Energy: 1.754710471267008
Energy: 1.7511197670522456
Energy: 2.829757849320306
Energy: 1.7563260725802001
Energy: 1.8394627787782931
Energy: 1.7563260725802001
Energy: 2.816958468744208
Energy: 1.6608593807837184
Energy: 1.7657482546613812
Energy: 1.6608593807837184

minimum gb energy = 1.6594291093196725 eV
minimum distance =  2.53519540634419 Angstroms
sigma value = 1


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

Energy: 3.2584128143638065
Energy: 1.901770497708985
Energy: 1.8123256322762933
Energy: 1.8775706388643243
Energy: 2.6911214959605916
Energy: 1.7235277663511825
Energy: 1.7234107200304802
Energy: 1.7235277663511825
Energy: 2.7066158739670994
Energy: 1.7223013474739035
Energy: 1.7189949443739874
Energy: 1.7223013474739035
Energy: 2.7093369035386528
Energy: 1.7241359498969169
Energy: 1.7264157696814992
Energy: 1.7241359498969169
Energy: 2.7300630805431623
Energy: 1.7235987964449748
Energy: 1.9518556229315085
Energy: 1.7235987964449748
Energy: 2.708927562712933
Energy: 1.8762630225235841
Energy: 1.9468535989166236
Energy: 1.8762630225235841
Energy: 2.708423918183438
Energy: 1.8946733175505557
Energy: 1.959612322020331
Energy: 1.8946733175505557
Energy: 2.4354730457422544
Energy: 1.8919412641920164
Energy: 1.9629626077265276
Energy: 1.8919412641920164
Energy: 2.4375842438627324
Energy: 1.8784171306489024
Energy: 2.2672772669669117
Energy: 1.8784171306489024
Energy: 2.432693650114402
Energy: 1.9895834976941695
Energy: 2.431758564068734
Energy: 1.9895834976941695
Energy: 2.265404361486298
Energy: 1.8780777927843575
Energy: 2.220149263444064
Energy: 1.8780777927843575
Energy: 1.9690433513749734
Energy: 1.8877754451597673
Energy: 2.1723309212522333
Energy: 1.8877754451586322
Energy: 1.9731648127527275
Energy: 1.8938752254162878
Energy: 2.4377808796075424
Energy: 1.8938752254162878
Energy: 1.9471597501834228
Energy: 1.8778346742191376
Energy: 2.7063516670551597
Energy: 1.8778346742191376
Energy: 1.9499372606819332
Energy: 1.7236706345708366
Energy: 2.6773770020284386
Energy: 1.7236706345708366
Energy: 1.7278894008997627
Energy: 1.7230905733854094
Energy: 2.6793997872066617
Energy: 1.7230905733854094
Energy: 1.7206504830172626
Energy: 1.722274503486535
Energy: 2.709259507978842
Energy: 1.722274503486535
Energy: 1.7220263709832195
Energy: 1.7244052896051694
Energy: 2.709954392807498
Energy: 1.7244052896051694
Energy: 1.7199911467009097
Energy: 1.723369004693406
Energy: 2.4273938293450565
Energy: 1.723369004693406
Energy: 1.952639869380644
Energy: 1.8764866776647358
Energy: 2.708699155204149
Energy: 1.8764866776647358
Energy: 1.9563899583749829
Energy: 1.892593875894598
Energy: 2.708321231570302
Energy: 1.892593875894598
Energy: 1.960938149873407
Energy: 1.8891579295404943
Energy: 2.43269764842989
Energy: 1.8891579295404943
Energy: 1.958994668774306
Energy: 1.8771774315587013
Energy: 2.4363445088536566
Energy: 1.8771774315598364
Energy: 2.436894893392312
Energy: 1.9919918161848629
Energy: 2.4344382633766823
Energy: 1.9919918161848629
Energy: 2.1876692800682846
Energy: 1.8774287121967401
Energy: 2.4348276523797945
Energy: 1.8774287121967401
Energy: 2.174939202453248
Energy: 1.8799366157540633
Energy: 1.9702197341601502
Energy: 1.8799366157540633
Energy: 2.4445367766322748
Energy: 1.8912364721005488
Energy: 1.9734425073876665
Energy: 1.8912364720994137
Energy: 2.7092356431694906
Energy: 1.8776414102728947
Energy: 1.9742698054034034
Energy: 1.8776414102728947
Energy: 2.6770859252714923
Energy: 1.723321397614534
Energy: 1.9491438369719176
Energy: 1.723321397614534

minimum gb energy = 1.7189949443739874 eV
minimum distance =  2.53369595670144 Angstroms
sigma value = 25


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

Energy: 3.131924887679233
Energy: 2.4612679017571217
Energy: 2.356727537935613
Energy: 2.3704794072238107
Energy: 2.6269379338981387
Energy: 1.8389343799569353
Energy: 1.8536693363934211
Energy: 1.8389343799569353
Energy: 2.648581795175072
Energy: 1.8369088886086902
Energy: 1.8311693253731127
Energy: 1.8369088886086902
Energy: 2.6457848022068604
Energy: 1.8389580626622364
Energy: 1.8350621147252266
Energy: 1.8389580626622364
Energy: 2.4960111694887206
Energy: 1.8369037781308946
Energy: 2.293031886253347
Energy: 1.8369037781295747
Energy: 2.6459880758309056
Energy: 2.0494518047231076
Energy: 2.2286676730244808
Energy: 2.0494518047231076
Energy: 2.646057860184959
Energy: 2.046282456841659
Energy: 2.2376119582927347
Energy: 2.046282456841659
Energy: 2.240262786327727
Energy: 2.0430795711008845
Energy: 2.238179818317506
Energy: 2.0430795711008845
Energy: 2.239705067920543
Energy: 2.0462250964902
Energy: 2.24362841072664
Energy: 2.0462250964902
Energy: 2.275285913087014
Energy: 2.0467740187840104
Energy: 2.64247036362652
Energy: 2.0467740187840104
Energy: 2.2289256426121598
Energy: 1.8376137989142372
Energy: 2.63414458682229
Energy: 1.8376137989142372
Energy: 1.8321430065743625
Energy: 1.8382819841424252
Energy: 2.6352990157986187
Energy: 1.8382819841424252
Energy: 1.8309993810808884
Energy: 1.8352524850676015
Energy: 2.643011847593958
Energy: 1.8352524850676015
Energy: 1.8506806847632076
Energy: 1.8378089120007033
Energy: 2.644625261539354
Energy: 1.8378089120007033
Energy: 1.8319266598400736
Energy: 1.8370005637146156
Energy: 2.494964624407486
Energy: 1.8370005637146156
Energy: 1.9642605609567707
Energy: 1.8407959827452283
Energy: 2.6380565248183654
Energy: 1.8407959827452283
Energy: 1.9771303173008679
Energy: 1.9483298280318535
Energy: 2.6491351612806073
Energy: 1.9483298280318535
Energy: 1.9828479525706264
Energy: 1.9462161045910564
Energy: 2.4999285887071676
Energy: 1.9462161045910564
Energy: 1.9758737794794186
Energy: 1.9461346049098618
Energy: 2.3218336419739383
Energy: 1.9461346049098618
Energy: 2.5027839121780477
Energy: 1.948222857201562
Energy: 2.5020711668851328
Energy: 1.9482228572002425
Energy: 2.360050025725426
Energy: 1.9468852993802839
Energy: 2.5022939451833985
Energy: 1.9468852993802839
Energy: 2.3557369914493043
Energy: 1.9461754166876437
Energy: 1.9882877200960545
Energy: 1.9461754166876437
Energy: 2.503788163014798
Energy: 1.951788010788744
Energy: 1.9715652560253465
Energy: 1.9517880107874246
Energy: 2.6452536075426614
Energy: 1.9450850440014298
Energy: 1.9777685424435927
Energy: 1.9450850440014298
Energy: 2.630233073148491
Energy: 1.8362426776431242
Energy: 1.965244460092006
Energy: 1.8362426776431242

minimum gb energy = 1.8309993810808884 eV
minimum distance =  2.51370367874522 Angstroms
sigma value = 9


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

Energy: 2.8847092734280784
Energy: 2.0380344683156015
Energy: 3.1642033875347986
Energy: 2.109321274716574
Energy: 2.4502518993001745
Energy: 1.878633403303363
Energy: 1.8616185125440905
Energy: 1.878633403303363
Energy: 2.509642666615886
Energy: 1.8808322725864088
Energy: 1.8607477526291005
Energy: 1.8808322725864088
Energy: 2.507056773629092
Energy: 1.877903299943763
Energy: 1.8636165657434705
Energy: 1.877903299943763
Energy: 2.171412453976092
Energy: 1.8761402227336472
Energy: 2.161508434501546
Energy: 1.8761402227336472
Energy: 2.507828664175335
Energy: 1.879524285707079
Energy: 2.198261382844157
Energy: 1.879524285707079
Energy: 2.513228462847653
Energy: 1.959891646198262
Energy: 1.8398422619972774
Energy: 1.959891646198262
Energy: 2.197001137390343
Energy: 1.9586814925477758
Energy: 2.193861276673678
Energy: 1.9586814925477758
Energy: 2.1950654532324427
Energy: 1.9579874685137666
Energy: 2.5107389311995547
Energy: 1.9579874685137666
Energy: 2.199012971932207
Energy: 1.9608307842026376
Energy: 2.5089609526006185
Energy: 1.9608307842026376
Energy: 2.1658220257045206
Energy: 1.871043330182174
Energy: 2.4496456402791376
Energy: 1.8710433301806
Energy: 1.8604767707359429
Energy: 1.87633330964339
Energy: 2.4491540489870314
Energy: 1.87633330964339
Energy: 1.8664789661810777
Energy: 1.8804971503715766
Energy: 2.51282325999472
Energy: 1.8804971503715766
Energy: 1.8656676080923493
Energy: 1.8777317386750836
Energy: 2.5069094997206323
Energy: 1.8777317386750836
Energy: 1.8638270052067074
Energy: 1.8764104948850207
Energy: 2.1705764537994
Energy: 1.8764104948850207
Energy: 2.1935983232139877
Energy: 1.8772855861077262
Energy: 2.5067892597874986
Energy: 1.8772855861077262
Energy: 1.8409888934803622
Energy: 1.9600223926793343
Energy: 2.5114916548511954
Energy: 1.9600223926793343
Energy: 1.841315862638739
Energy: 1.960384610807366
Energy: 2.2004515799427344
Energy: 1.960384610807366
Energy: 2.193941275073401
Energy: 1.9584609936227795
Energy: 2.1967448653644404
Energy: 1.9584609936227795
Energy: 2.506121503011471
Energy: 1.9582102379788278
Energy: 2.200787644584392
Energy: 1.9582102379788278
Energy: 2.448375288661961
Energy: 1.8701366994773463
Energy: 2.1640523786185835
Energy: 1.8701366994773463

minimum gb energy = 1.8398422619972774 eV
minimum distance =  2.52159306989832 Angstroms
sigma value = 25


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

Energy: 2.6788812387375063
Energy: 2.083748903297041
Energy: 2.879108772396418
Energy: 2.088913453362933
Energy: 2.4528587655196614
Energy: 2.076255008245468
Energy: 2.0974581213647485
Energy: 2.076255008247414
Energy: 2.474259069019574
Energy: 2.0544889225481135
Energy: 2.0529071479749685
Energy: 2.0544889225481135
Energy: 2.50133791246571
Energy: 2.0644780428011003
Energy: 2.089188911680437
Energy: 2.0644780428011003
Energy: 2.304343734766422
Energy: 2.0515478687989304
Energy: 2.42963165342575
Energy: 2.0515478687989304
Energy: 2.427331110576615
Energy: 2.0777081506200212
Energy: 2.489798160319722
Energy: 2.0777081506200212
Energy: 2.432906168092838
Energy: 2.049743050864056
Energy: 2.497051623814531
Energy: 2.049743050864056
Energy: 2.062867162550212
Energy: 2.0505056307449796
Energy: 2.5019827165231487
Energy: 2.0505056307449796
Energy: 2.0617576835627616
Energy: 2.058071369847627
Energy: 2.5046979493874257
Energy: 2.058071369847627
Energy: 2.095592923263359
Energy: 2.0505184943337476
Energy: 2.4332959120784143
Energy: 2.0505184943337476
Energy: 2.05215862838023
Energy: 2.060666473574092
Energy: 2.4899529542963643
Energy: 2.060666473574092
Energy: 2.3319193084360914
Energy: 2.108469120787103
Energy: 2.4650443414530194
Energy: 2.108469120787103
Energy: 2.323753729996917
Energy: 2.0526067579160547
Energy: 2.4782349894222455
Energy: 2.0526067579160547
Energy: 2.306094812637857
Energy: 2.134906297261022
Energy: 2.332942927568472
Energy: 2.134906297261022
Energy: 2.3261629409731195
Energy: 2.137395168812468
Energy: 2.3215957193459666
Energy: 2.137395168812468
Energy: 2.4323987916994168
Energy: 2.053502190297039
Energy: 2.338600880939651
Energy: 2.053502190297039
Energy: 2.4551835565836275
Energy: 2.1003573303128205
Energy: 2.31015818944744
Energy: 2.1003573303128205

minimum gb energy = 2.049743050864056 eV
minimum distance =  2.46256539152331 Angstroms
sigma value = 17


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

Energy: 3.1865540943544337
Energy: 2.1045695432414164
Energy: 3.154935682919428
Energy: 2.1077990650248344
Energy: 2.4093067062059603
Energy: 2.109424521537883
Energy: 2.2134885849356447
Energy: 2.109424521537883
Energy: 2.4392672394598294
Energy: 2.112387303326116
Energy: 2.149726229506427
Energy: 2.112387303326116
Energy: 2.419442739223379
Energy: 2.1099263874419125
Energy: 2.1432551855385498
Energy: 2.1099263874419125
Energy: 2.4160646135789507
Energy: 2.1405612644521184
Energy: 2.4216051237862124
Energy: 2.1405612644521184
Energy: 2.4985540771620394
Energy: 2.1266177231345478
Energy: 2.4214970573117203
Energy: 2.1266177231345478
Energy: 2.3942816060561567
Energy: 2.0856646935746914
Energy: 2.4064412785221627
Energy: 2.0856646935757936
Energy: 2.177297417865533
Energy: 2.178224869788238
Energy: 2.4455971125416984
Energy: 2.178224869788238
Energy: 2.110048488971708
Energy: 2.087218121000763
Energy: 2.428939245318493
Energy: 2.087218121000763
Energy: 2.106193676730249
Energy: 2.0913834393873643
Energy: 2.442321673411147
Energy: 2.0913834393873643
Energy: 2.1079633418636043
Energy: 2.0867972609264394
Energy: 2.4196927168633673
Energy: 2.0867972609275416
Energy: 2.4391630025134146
Energy: 2.111252450551674
Energy: 2.420400600336919
Energy: 2.111252450551674
Energy: 2.4056053595491065
Energy: 2.1252018522700267
Energy: 2.432669630531811
Energy: 2.125201852271129
Energy: 2.4099035176012484
Energy: 2.090911129993134
Energy: 2.0953925543036367
Energy: 2.090911129993134
Energy: 2.437057519707235
Energy: 2.0870487930551898
Energy: 2.105724934866948
Energy: 2.0870487930551898
Energy: 2.4204493031449035
Energy: 2.0853931065282834
Energy: 2.1493155512899795
Energy: 2.0853931065282834
Energy: 2.429750114181369
Energy: 2.1689787439068384
Energy: 2.173814275742893
Energy: 2.1689787439068384
Energy: 2.4321177753494045
Energy: 2.1676501751608046
Energy: 2.4135887578812083
Energy: 2.1676501751608046
Energy: 2.4210821211913496
Energy: 2.1198104589769473
Energy: 2.413064712295077
Energy: 2.1198104589769473
Energy: 2.157469794274197
Energy: 2.1426263639685525
Energy: 2.496689312252634
Energy: 2.1426263639696552
Energy: 2.128849016726597
Energy: 2.1082875307609323
Energy: 2.413867782041226
Energy: 2.1082875307609323
Energy: 2.1646401951530194
Energy: 2.107595445238412
Energy: 2.4319998591656176
Energy: 2.107595445238412
Energy: 2.1473860991790774
Energy: 2.2197142552503606
Energy: 2.4333602577637197
Energy: 2.2197142552503606
Energy: 2.408456299306658
Energy: 2.2376153351539196
Energy: 2.451796824288824
Energy: 2.2376153351495094
Energy: 2.3579345624701276
Energy: 2.1059799702262327
Energy: 2.433430541089799
Energy: 2.1059799702262327
Energy: 2.2815870428425518
Energy: 2.114655813581725
Energy: 2.420040645239784
Energy: 2.114655813581725
Energy: 2.3054967752256115
Energy: 2.155863754352141
Energy: 2.302656807182482
Energy: 2.155863754352141
Energy: 2.4199077087170693
Energy: 2.11621847456834
Energy: 2.2830221382400233
Energy: 2.11621847456834
Energy: 2.4421041596643063
Energy: 2.1059173396569157
Energy: 2.415691302446962
Energy: 2.1059173396569157
Energy: 2.452826220254214
Energy: 2.1069326953917753
Energy: 2.336118685345347
Energy: 2.1069326953928775

minimum gb energy = 2.0853931065282834 eV
minimum distance =  2.46253219217895 Angstroms
sigma value = 53


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

Energy: 1.9502027333184941
Energy: 1.8563082741382928
Energy: 3.6441642467394817
Energy: 3.386979225729749
Energy: 1.9542928026942006
Energy: 1.8707714604312071
Energy: 2.1084147178226793
Energy: 1.8707714604312071
Energy: 2.283577700134538
Energy: 1.899824697932053
Energy: 2.0183314924605678
Energy: 1.899824697932053
Energy: 2.2535594888552164
Energy: 2.0664850161633344
Energy: 2.1060019599926876
Energy: 2.0664850161633344
Energy: 2.2536523895279528
Energy: 2.1166604797668107
Energy: 2.287179983463494
Energy: 2.1166604797668107
Energy: 2.2533439079132505
Energy: 1.8665970001686591
Energy: 2.2778193433232246
Energy: 1.8665970001686591
Energy: 2.260534351310938
Energy: 1.9030591767084228
Energy: 1.9651998482569324
Energy: 1.9030591767084228
Energy: 2.105943854043157
Energy: 1.871596902007157
Energy: 1.9545846053722225
Energy: 1.871596902007157
Energy: 2.037779331859414
Energy: 1.9002268579771031
Energy: 2.2640639860331877
Energy: 1.9002268579771031
Energy: 2.109398678844731
Energy: 1.8686379135753644
Energy: 2.2490450152380035
Energy: 1.8686379135753644
Energy: 2.104983174605824
Energy: 2.1171764377048308
Energy: 2.2558484981329117
Energy: 2.1171764377048308
Energy: 2.2752197141725805
Energy: 2.1158995353622063
Energy: 2.2445143552540503
Energy: 2.1158995353622063
Energy: 1.9544196084381442
Energy: 1.8992464774694577
Energy: 2.2740446297872214
Energy: 1.8992464774694577

minimum gb energy = 1.8563082741382928 eV
minimum distance =  2.51597832630256 Angstroms
sigma value = 9


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

Energy: 3.1200213242273582
Energy: 2.367216429458594
Energy: 3.0966328505606975
Energy: 2.2259413373110446
Energy: 2.579865918965543
Energy: 2.1633457845219737
Energy: 2.4399247720028936
Energy: 2.1633457845219737
Energy: 2.3033091343842504
Energy: 2.2221756008160254
Energy: 2.3066830588040905
Energy: 2.2221756008160254
Energy: 2.312859827663835
Energy: 2.1732253634369205
Energy: 2.3057916894514188
Energy: 2.1732253634369205
Energy: 2.3005067997267394
Energy: 2.212871917104559
Energy: 2.3054878896485875
Energy: 2.212871917104559
Energy: 2.404184106141431
Energy: 2.1583575498350447
Energy: 2.464178235073366
Energy: 2.1583575498350447
Energy: 2.3810835344696226
Energy: 2.389021831964056
Energy: 2.6671825013549637
Energy: 2.389021831964056
Energy: 2.511098205814474
Energy: 2.1729252231337433
Energy: 2.666064212001539
Energy: 2.1729252231243494
Energy: 2.4766738760881326
Energy: 2.174687352367371
Energy: 2.44277874937226
Energy: 2.174687352367371
Energy: 2.37209985764704
Energy: 2.2515797987308974
Energy: 2.1902447189095784
Energy: 2.2515797987308974
Energy: 2.4894280989707873
Energy: 2.157278510511403
Energy: 2.1828564343474204
Energy: 2.157278510511403
Energy: 2.587059131145847
Energy: 2.126175751509529
Energy: 2.24750446397332
Energy: 2.126175751509529
Energy: 2.6365416548185845
Energy: 2.2922968201260745
Energy: 2.2979473465570672
Energy: 2.2922968201260745
Energy: 2.639558332185128
Energy: 2.2921792794537623
Energy: 2.6051775173126335
Energy: 2.2921792794537623
Energy: 2.5915725961728318
Energy: 2.1152363239774594
Energy: 2.6056577025884797
Energy: 2.1152363239774594
Energy: 2.579094571165541
Energy: 2.1705919498733457
Energy: 2.5745773088400647
Energy: 2.1705919498733457
Energy: 2.166757365145945
Energy: 2.1588639996719423
Energy: 2.6149338531703576
Energy: 2.1588639996719423
Energy: 2.1706486789533677
Energy: 2.132170948688022
Energy: 2.596919657372629
Energy: 2.132170948688022
Energy: 2.2065180110090656
Energy: 2.0950808115522013
Energy: 2.645206663602324
Energy: 2.0950808115522013
Energy: 2.4116259864981737
Energy: 2.2089219593126685
Energy: 2.619760031536332
Energy: 2.2089219593126685
Energy: 2.6121198367016945
Energy: 2.0957798816441096
Energy: 2.633785794300889
Energy: 2.0957798816441096
Energy: 2.647155929300417
Energy: 2.20489094453061
Energy: 2.5991138577877693
Energy: 2.20489094453061
Energy: 2.646403177864915
Energy: 2.207084443107663
Energy: 2.2039417737352607
Energy: 2.207084443107663
Energy: 2.6531854701458846
Energy: 2.0951761327862704
Energy: 2.2027232289011804
Energy: 2.0951761327862704
Energy: 2.614979635845245
Energy: 2.1131703537861597
Energy: 2.1590216964086384
Energy: 2.1131703537861597
Energy: 2.464939468234297
Energy: 2.1705959440761053
Energy: 2.1612040141306776
Energy: 2.1705959440761053
Energy: 2.6182033074098734
Energy: 2.1606685917323114
Energy: 2.5742292964100018
Energy: 2.1606685917323114
Energy: 2.597922526488067
Energy: 2.2086716300372276
Energy: 2.614804596803162
Energy: 2.2086716300372276
Energy: 2.2954498915955486
Energy: 2.292346873434712
Energy: 2.6460271493970704
Energy: 2.292346873434712
Energy: 2.2920432665702104
Energy: 2.1135958877591845
Energy: 2.595389669699933
Energy: 2.1135958877591845
Energy: 2.2116461190456103
Energy: 2.1692776905388955
Energy: 2.4995586024550005
Energy: 2.1692776905388955
Energy: 2.2008628903960683
Energy: 2.1591999361102787
Energy: 2.4668969449276332
Energy: 2.1591999361102787
Energy: 2.3917161209131628
Energy: 2.2466374112444294
Energy: 2.4726468047296493
Energy: 2.2466374112444294
Energy: 2.4665027682217873
Energy: 2.1591023890807732
Energy: 2.557424022248173
Energy: 2.1591023890807732
Energy: 2.652666570198493
Energy: 2.278306681462095
Energy: 2.603657353635608
Energy: 2.278306296477421

minimum gb energy = 2.0950808115522013 eV
minimum distance =  2.48854702274672 Angstroms
sigma value = 73


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

Energy: 3.2380356293575683
Energy: 2.3860998583655064
Energy: 2.7660248452558966
Energy: 2.2148236055086845
Energy: 2.6553477390383056
Energy: 2.192791624091323
Energy: 2.380678327094589
Energy: 2.192791624092813
Energy: 2.345936103308055
Energy: 2.2346216932317944
Energy: 2.343680227675015
Energy: 2.2346216932317944
Energy: 2.346297853329391
Energy: 2.1899254067328404
Energy: 2.347134966408079
Energy: 2.1899254067328404
Energy: 2.3464214409762008
Energy: 2.260719556412194
Energy: 2.3484574069427597
Energy: 2.260719556412194
Energy: 2.377312056805569
Energy: 2.187951675044161
Energy: 2.47181290623506
Energy: 2.187951675044161
Energy: 2.3765966661065216
Energy: 2.3786768177123943
Energy: 2.7190658021902534
Energy: 2.3786768177123943
Energy: 2.5785289070174024
Energy: 2.2021419401040374
Energy: 2.721649195222347
Energy: 2.2021419401040374
Energy: 2.6046102874446233
Energy: 2.1842932525794683
Energy: 2.4670070588766615
Energy: 2.1842932525794683
Energy: 2.4488449573388102
Energy: 2.2599900316859727
Energy: 2.1966035946873124
Energy: 2.2599900316859727
Energy: 2.604796031270982
Energy: 2.1902846631536423
Energy: 2.1743160159520083
Energy: 2.1902846631536423
Energy: 2.6966024632770638
Energy: 2.1719551859276716
Energy: 2.2106182429144408
Energy: 2.1719551859276716
Energy: 2.590940201800474
Energy: 2.214757237315828
Energy: 2.211614247967071
Energy: 2.214757237315828
Energy: 2.585836800137614
Energy: 2.212801540993592
Energy: 2.6635061443977914
Energy: 2.212801540992101
Energy: 2.6632028104426984
Energy: 2.1678217391359933
Energy: 2.6624846471410284
Energy: 2.1678217391359933
Energy: 2.669000066380945
Energy: 2.2114653963656643
Energy: 2.727945438323342
Energy: 2.2114653963656643
Energy: 2.2150777296688076
Energy: 2.178139894008097
Energy: 2.7328898524125127
Energy: 2.178139894008097
Energy: 2.2118894927143953
Energy: 2.174043153076005
Energy: 2.702232325722849
Energy: 2.174043153076005
Energy: 2.181567316333222
Energy: 2.1802750003812728
Energy: 2.597700629501988
Energy: 2.1802750003812728
Energy: 2.1918912854582127
Energy: 2.258404660420927
Energy: 2.602976616979678
Energy: 2.2584046604224173
Energy: 2.472017170519538
Energy: 2.1870026316330127
Energy: 2.60463703066797
Energy: 2.1870026316330127
Energy: 2.72331322771966
Energy: 2.2656655125374288
Energy: 2.581520095797414
Energy: 2.265665512535939

minimum gb energy = 2.1678217391359933 eV
minimum distance =  2.49996129477514 Angstroms
sigma value = 7


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

Energy: 3.7297375057213533
Energy: 2.238337312302988
Energy: 3.2440097153336294
Energy: 2.345675585366677
Energy: 2.6609034983487754
Energy: 2.231481984954573
Energy: 2.3520653306385
Energy: 2.231481984954573
Energy: 2.36144931503413
Energy: 2.2331832854045652
Energy: 2.3544042880768425
Energy: 2.2331832854045652
Energy: 2.3512090331171795
Energy: 2.2261647859754055
Energy: 2.337015134189904
Energy: 2.2261647859754055
Energy: 2.3540131633754755
Energy: 2.2252053603062723
Energy: 2.3704822111011636
Energy: 2.2252053603062723
Energy: 2.33963327808219
Energy: 2.2084259587599377
Energy: 2.4652321015355922
Energy: 2.2084259587599377
Energy: 2.3426309976431456
Energy: 2.2340849457059373
Energy: 2.6833873576307465
Energy: 2.2340849457059373
Energy: 2.613695053042366
Energy: 2.214637173093912
Energy: 2.6847558951126813
Energy: 2.214637173093912
Energy: 2.6098684043707623
Energy: 2.2083900654492585
Energy: 2.4651118699272123
Energy: 2.2083900654492585
Energy: 2.4891446952792755
Energy: 2.2631692776302135
Energy: 2.2042676987474548
Energy: 2.2631692776302135
Energy: 2.6105228466379433
Energy: 2.2043509761480227
Energy: 2.166533433814543
Energy: 2.2043509761480227
Energy: 2.5652108701076886
Energy: 2.225895716183305
Energy: 2.2022309449057214
Energy: 2.225895716183305
Energy: 2.7099533948113734
Energy: 2.178582498220353
Energy: 2.1958530665849096
Energy: 2.178582498220353
Energy: 2.715146274624138
Energy: 2.1813696422201345
Energy: 2.471923567132284
Energy: 2.1813696422201345
Energy: 2.604043446668405
Energy: 2.209473725885858
Energy: 2.4662602216643497
Energy: 2.209473725885858
Energy: 2.6103751250240466
Energy: 2.2146341725259697
Energy: 2.8912272742076417
Energy: 2.2146341725259697
Energy: 2.3479730988270804
Energy: 2.21462081488748
Energy: 2.894026995576433
Energy: 2.21462081488748
Energy: 2.3603818822446616
Energy: 2.214206499157559
Energy: 2.361396380729956
Energy: 2.214206499157559
Energy: 2.337741261466752
Energy: 2.2250175698641224
Energy: 2.358886303717815
Energy: 2.2250175698641224
Energy: 2.3749817953453447
Energy: 2.2571371375079354
Energy: 2.3413747926779664
Energy: 2.2571371375079354
Energy: 2.464227417352668
Energy: 2.2064013497265664
Energy: 2.342811615328541
Energy: 2.2064013497265664
Energy: 2.692265591624537
Energy: 2.3432411216996707
Energy: 2.3437183279722595
Energy: 2.3432411216996707
Energy: 2.694171884281207
Energy: 2.2241016381459713
Energy: 2.604397054115591
Energy: 2.2241016381459713
Energy: 2.4639601107644995
Energy: 2.205874610349612
Energy: 2.6050187128889712
Energy: 2.205874610349612
Energy: 2.4648265565815524
Energy: 2.1773026859409694
Energy: 2.4886152580626604
Energy: 2.1773026859304307
Energy: 2.1697189080755144
Energy: 2.2102430442590375
Energy: 2.493695616809303
Energy: 2.2102430442590375
Energy: 2.220652778985317
Energy: 2.2247053371859695
Energy: 2.5635409813411116
Energy: 2.2247053371859695
Energy: 2.172153143174201
Energy: 2.17642614583647
Energy: 2.713626684748689
Energy: 2.17642614583647
Energy: 2.4625485849356115
Energy: 2.1770870863636054
Energy: 2.609260418109876
Energy: 2.1770870863636054
Energy: 2.464469611981629
Energy: 2.2045156728226734
Energy: 2.6095895178640194
Energy: 2.2045156728226734
Energy: 2.88630892553581
Energy: 2.217401487562972
Energy: 2.6081680657028414
Energy: 2.217401487562972

minimum gb energy = 2.166533433814543 eV
minimum distance =  2.52759277091492 Angstroms
sigma value = 29


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

Energy: 2.882755135343108
Energy: 2.0909230911760552
Energy: 3.515916241569018
Energy: 3.1287521203197817
Energy: 2.4134475915853457
Energy: 2.0672384690307353
Energy: 2.213622743582853
Energy: 2.0672384690307353
Energy: 2.220218980886315
Energy: 2.0789431844486614
Energy: 2.2228289252866738
Energy: 2.0789431844486614
Energy: 2.2186558425341074
Energy: 2.0723640112812727
Energy: 1.9592387255602173
Energy: 2.0723640112812727
Energy: 2.2172867325534913
Energy: 2.0683308771320927
Energy: 2.2219025292271577
Energy: 2.0683308771320927
Energy: 2.2055289849048183
Energy: 2.0692073148565577
Energy: 2.3457570334168443
Energy: 2.0692073148565577
Energy: 2.2060534098837183
Energy: 2.108923672890682
Energy: 2.2074150572080495
Energy: 2.108923672890682
Energy: 2.3529215604541402
Energy: 2.119593407640058
Energy: 2.2062921201658368
Energy: 2.119593407640058
Energy: 2.413847869838195
Energy: 2.122440585130909
Energy: 2.3550202658225867
Energy: 2.122440585130909

minimum gb energy = 1.9592387255602173 eV
minimum distance =  2.54378285928079 Angstroms
sigma value = 5


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

Energy: 2.827677807630449
Energy: 2.464884074344472
Energy: 3.3090428892082353
Energy: 2.715210384858923
Energy: 2.173340821902608
Energy: 2.1234567795090773
Energy: 2.2819798381843057
Energy: 2.1234567794991217
Energy: 2.174261418670111
Energy: 2.1758441947975333
Energy: 2.435547296753534
Energy: 2.1758441947975333
Energy: 2.179156093823649
Energy: 2.1977824690382257
Energy: 2.4610887923098286
Energy: 2.1977824690382257
Energy: 2.1775232277344623
Energy: 2.1826581079713927
Energy: 2.4181073636452144
Energy: 2.1826581079713927
Energy: 2.1399737322054126
Energy: 2.14490677314517
Energy: 2.3421672163971885
Energy: 2.14490677314517
Energy: 2.139747403295962
Energy: 2.163574309427436
Energy: 2.3537175579092344
Energy: 2.163574309427436
Energy: 2.1424204582866917
Energy: 2.150564605694296
Energy: 2.3521271024272155
Energy: 2.150564605694296
Energy: 2.155457813139198
Energy: 2.1463520339880606
Energy: 2.1373169515774015
Energy: 2.1463520339880606
Energy: 2.4169246526190027
Energy: 2.4003155083482173
Energy: 2.6312425642414987
Energy: 2.4003155083482173
Energy: 2.155298005068742
Energy: 2.1433812963423686
Energy: 2.1399423743600754
Energy: 2.1433812963423686
Energy: 2.498886569067332
Energy: 2.148762224853992
Energy: 2.402366897798066
Energy: 2.148762224853992
Energy: 2.5314751472434467
Energy: 2.3941560480496458
Energy: 2.402536629703371
Energy: 2.3941560480496458
Energy: 2.1883457906753243
Energy: 2.352309130364864
Energy: 2.1405234760953995
Energy: 2.352309130364864
Energy: 2.354022134748674
Energy: 2.1611995267205293
Energy: 2.1418435379456797
Energy: 2.1611995267205293
Energy: 2.3572076238016924
Energy: 2.145501051838465
Energy: 2.154205571848715
Energy: 2.145501051838465
Energy: 2.2571637628467855
Energy: 2.162054303221936
Energy: 2.152788369069064
Energy: 2.162054303221936
Energy: 2.2651822250804767
Energy: 2.1761497757324317
Energy: 2.179165448010607
Energy: 2.1761497757324317
Energy: 2.421407141651879
Energy: 2.225412555394683
Energy: 2.1758371881303633
Energy: 2.225412555394683
Energy: 2.557632383013552
Energy: 2.1784844965262105
Energy: 2.1755270569584706
Energy: 2.1784844965262105
Energy: 2.5547305099951467
Energy: 2.1264087760728043
Energy: 2.295837205612259
Energy: 2.1264087760728043
Energy: 2.7351051186947037
Energy: 2.2769381178497086
Energy: 2.2946575721741307
Energy: 2.2769381178596637
Energy: 2.2966650626248253
Energy: 2.1793507708146493
Energy: 2.175470871366103
Energy: 2.1793507708146493
Energy: 2.4030541651347885
Energy: 2.3304660278792797
Energy: 2.358155279416524
Energy: 2.3304660278792797
Energy: 2.3973062521966417
Energy: 2.175289452232283
Energy: 2.2900649586860866
Energy: 2.175289452232283
Energy: 2.239925087078783
Energy: 2.122459981756796
Energy: 2.190604921679962
Energy: 2.122459981756796
Energy: 2.184156323473541
Energy: 2.1272540819142773
Energy: 2.1836250225524365
Energy: 2.1272540819142773
Energy: 2.184211202290047
Energy: 2.1286062326979107
Energy: 2.1880933048239575
Energy: 2.1286062326979107
Energy: 2.188293184927465
Energy: 2.123794578607069
Energy: 2.2419545416285573
Energy: 2.123794578607069
Energy: 2.2913503676853546
Energy: 2.1758332501600415
Energy: 2.4186920524964033
Energy: 2.1758332501600415
Energy: 2.358822066475078
Energy: 2.1813452156215356
Energy: 2.418532155148237
Energy: 2.1813452156215356
Energy: 2.1769798639856637
Energy: 2.124218209214092
Energy: 2.3014043634918364
Energy: 2.124218209214092
Energy: 2.1224687552816057
Energy: 2.495780274206298
Energy: 2.584189927801726
Energy: 2.495780274206298

minimum gb energy = 2.122459981756796 eV
minimum distance =  2.4744099282209 Angstroms
sigma value = 1


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

Energy: 3.5007047900115436
Energy: 2.183731817527929
Energy: 3.4534899463620548
Energy: 2.5623672048828694
Energy: 2.043962475977434
Energy: 2.095299959574591
Energy: 2.1096537631155567
Energy: 2.095299959574591
Energy: 2.1084624170072455
Energy: 2.09461872899858
Energy: 2.135175167775565
Energy: 2.09461872899858
Energy: 2.104844314137437
Energy: 2.121990509325944
Energy: 2.0447912883850896
Energy: 2.121990509325944
Energy: 2.109556300843389
Energy: 2.061029537613444
Energy: 2.1342382192168894
Energy: 2.061029537613444
Energy: 2.1068446667041987
Energy: 2.104955691145993
Energy: 2.1334679866667248
Energy: 2.104955691145993
Energy: 2.1037750072232195
Energy: 2.1099325193223226
Energy: 2.1396620760533693
Energy: 2.1099325193223226
Energy: 2.1070460773002093
Energy: 2.0966821992688627
Energy: 2.132787523891795
Energy: 2.09668219927024
Energy: 2.061507275865741
Energy: 2.0958632536530395
Energy: 2.1089662814678083
Energy: 2.0958632536530395
Energy: 2.3760270183465884
Energy: 2.5577593669702967
Energy: 2.55696576452136
Energy: 2.5577593669702967
Energy: 2.108305703856545
Energy: 2.0971665018711074
Energy: 2.108262037882856
Energy: 2.0971665018711074
Energy: 2.1079386199588486
Energy: 2.0955622125423856
Energy: 2.0440726645987364
Energy: 2.0955622125423856
Energy: 2.1006674446558526
Energy: 2.102170080658807
Energy: 2.043284083616577
Energy: 2.102170080658807
Energy: 2.136656158535989
Energy: 2.161175081643768
Energy: 2.1078745273778856
Energy: 2.161175081643768
Energy: 2.04468024161618
Energy: 2.1008638303027967
Energy: 2.106827148081428
Energy: 2.1008638303027967
Energy: 2.0490414706025533
Energy: 2.0947950776623485
Energy: 2.1074624470765193
Energy: 2.0947950776623485
Energy: 2.1369541324075882
Energy: 2.0044084112391234
Energy: 2.056548745283773
Energy: 2.0044084112391234
Energy: 2.1327490210450772
Energy: 2.095646138564758
Energy: 2.109181336185736
Energy: 2.095646138564758
Energy: 2.138953424384269
Energy: 2.1139454631557717
Energy: 2.117887601407448
Energy: 2.1139454631557717
Energy: 2.1335940278974093
Energy: 2.0973317269100353
Energy: 2.1081782930777795
Energy: 2.0973317269100353
Energy: 2.103448554715934
Energy: 2.095993803195789
Energy: 2.3758600276621107
Energy: 2.095993803195789
Energy: 2.564538360921225
Energy: 2.1000504835771285
Energy: 2.3758464481363313
Energy: 2.1000504835771285
Energy: 2.109084721667991
Energy: 2.166455837209847
Energy: 2.109046754688524
Energy: 2.166455837209847
Energy: 2.0432397531364783
Energy: 2.1128589062382295
Energy: 2.109008617519245
Energy: 2.1128589062382295

minimum gb energy = 2.0044084112391234 eV
minimum distance =  2.49202705971484 Angstroms
sigma value = 17


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

Energy: 2.926064142904266
Energy: 2.6766153975104663
Energy: 3.188945099054038
Energy: 2.821841053695752
Energy: 2.1484201213532526
Energy: 2.0793917021454438
Energy: 2.1019776689921486
Energy: 2.0793917021454438
Energy: 2.17266448888217
Energy: 2.171301453926906
Energy: 2.599289438364987
Energy: 2.171301453935414
Energy: 2.1761450960441815
Energy: 2.1977493965886894
Energy: 2.3923342717015625
Energy: 2.1977493965886894
Energy: 2.1820749393077508
Energy: 2.1804725575543316
Energy: 2.1410417616982564
Energy: 2.1804725575543316
Energy: 2.14995621365169
Energy: 2.0556767241083733
Energy: 2.1523197291750313
Energy: 2.0556767241083733
Energy: 2.1508127779036648
Energy: 2.050356270652953
Energy: 2.141307082575404
Energy: 2.050356270652953
Energy: 2.200080243057193
Energy: 2.0531547257166016
Energy: 2.1398054318787563
Energy: 2.0531547257166016
Energy: 2.2982908884947633
Energy: 2.1716881202548683
Energy: 2.173750714732126
Energy: 2.1716881202548683
Energy: 2.3883231090683696
Energy: 2.1974585506866675
Energy: 2.1951881287375157
Energy: 2.1974585506866675
Energy: 2.14188201069252
Energy: 2.1967471106200818
Energy: 2.1736841263700826
Energy: 2.1967471106200818
Energy: 2.263516834330477
Energy: 2.0798516887774974
Energy: 2.2106158421794633
Energy: 2.0798516887774974
Energy: 2.535927809697881
Energy: 2.3928499478234215
Energy: 2.1521777960533903
Energy: 2.3928499478234215
Energy: 2.1052705395965368
Energy: 2.080204638904065
Energy: 2.173876920998235
Energy: 2.0802046388955966
Energy: 2.3855890807262994
Energy: 2.2000448361551967
Energy: 2.3357777507367747
Energy: 2.2000448361551967
Energy: 2.1583580975199204
Energy: 2.1690281852813587
Energy: 2.168306059443567
Energy: 2.1690281852813587
Energy: 2.105920998209821
Energy: 2.0774923588131413
Energy: 2.2731924588568693
Energy: 2.0774923588131413
Energy: 2.1082392088051827
Energy: 2.080442321150998
Energy: 2.280597020524776
Energy: 2.080442321150998
Energy: 2.124665275131877
Energy: 2.081761198602182
Energy: 2.279869730471443
Energy: 2.081761198602182
Energy: 2.1637092298379255
Energy: 2.135803280274729
Energy: 2.2888858894851025
Energy: 2.135803280274729
Energy: 2.1444365137172086
Energy: 2.1267305087776878
Energy: 2.507273607191245
Energy: 2.1267305087776878
Energy: 2.131702918340902
Energy: 2.147532758710883
Energy: 2.379013423342994
Energy: 2.147532758710883
Energy: 2.135217187500811
Energy: 2.1961241643379457
Energy: 2.130382899273894
Energy: 2.1961241643379457
Energy: 2.2460296674340308
Energy: 2.262880299174656
Energy: 2.5169422213511723
Energy: 2.262880299174656
Energy: 2.2124952374303546
Energy: 2.126104055781585
Energy: 2.2837228077430995
Energy: 2.126104055781585
Energy: 2.1319225713799677
Energy: 2.135178902140523
Energy: 2.1703582757167053
Energy: 2.135178902140523
Energy: 2.5773138053182523
Energy: 2.5387146587381357
Energy: 2.095692261937378
Energy: 2.5387146587381357
Energy: 2.127045089338879
Energy: 2.1287747637758048
Energy: 2.217716427121898
Energy: 2.1287747637758048
Energy: 2.4765692385356735
Energy: 2.128409408434386
Energy: 2.131638787904992
Energy: 2.128409408434386
Energy: 2.37270032964748
Energy: 2.144655659833535
Energy: 2.1296574136686637
Energy: 2.144655659833535
Energy: 2.383202800908236
Energy: 2.140263019890504
Energy: 2.1303898563212678
Energy: 2.140263019890504
Energy: 2.274507048192767
Energy: 2.078261366242947
Energy: 2.1043784610815455
Energy: 2.078261366242947
Energy: 2.2816134881105707
Energy: 2.0804236702099796
Energy: 2.1110670929328514
Energy: 2.0804236702099796
Energy: 2.2837465669358563
Energy: 2.081706318386256
Energy: 2.1068919055482214
Energy: 2.081706318386256
Energy: 2.1841450005188996
Energy: 2.1737402879030356
Energy: 2.2309152258198903
Energy: 2.1737402879030356
Energy: 2.3757899134224365
Energy: 2.3418084479972188
Energy: 2.101327913262017
Energy: 2.3418084479972188
Energy: 2.173403066540878
Energy: 2.1789868729389528
Energy: 2.2191832021401545
Energy: 2.1789868729389528
Energy: 2.192860970336925
Energy: 2.0793759567219863
Energy: 2.1076013625008967
Energy: 2.0793759567219863

minimum gb energy = 2.050356270652953 eV
minimum distance =  2.45440059322671 Angstroms
sigma value = 89


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

Energy: 3.813292559586075
Energy: 2.138192329052844
Energy: 3.2176469726040757
Energy: 2.463901488253497
Energy: 2.0028801582480686
Energy: 2.0565759082515767
Energy: 2.0681774199782206
Energy: 2.0565759082515767
Energy: 2.0655403527494394
Energy: 2.061580928081567
Energy: 2.2415826414637485
Energy: 2.061580928081567
Energy: 2.0672165246344933
Energy: 2.0550684434136572
Energy: 2.2416311790772094
Energy: 2.0550684434136572
Energy: 2.13345123408817
Energy: 2.1172489706746607
Energy: 2.1942600066795848
Energy: 2.1172489706724344
Energy: 2.1353729077360795
Energy: 1.9622421132558578
Energy: 2.1349365444022963
Energy: 1.9622421132558578
Energy: 2.1313387182428265
Energy: 1.9619565289442702
Energy: 2.1302968609107866
Energy: 1.9619565289442702
Energy: 2.1944577297471963
Energy: 1.9634541597105013
Energy: 2.1316844506728154
Energy: 1.9634541597105013
Energy: 2.1935092287960622
Energy: 2.0560029406353424
Energy: 2.0657560568047764
Energy: 2.0560029406353424
Energy: 2.1928095811144903
Energy: 2.055913408284982
Energy: 2.0735366822971204
Energy: 2.055913408284982
Energy: 2.193867823699017
Energy: 2.056960977942739
Energy: 2.0663030119703647
Energy: 2.056960977942739
Energy: 2.0701103816286675
Energy: 2.0451885643249317
Energy: 2.188839688178096
Energy: 2.0451885643249317
Energy: 2.4651106577255377
Energy: 2.0562722788487395
Energy: 2.188436385944595
Energy: 2.0562722788487395
Energy: 2.068607486640648
Energy: 2.123422930359205
Energy: 2.0670184737888833
Energy: 2.123422930356979
Energy: 2.002368671224838
Energy: 2.0568679324784434
Energy: 2.0657668855091478
Energy: 2.0568679324784434

minimum gb energy = 1.9619565289442702 eV
minimum distance =  2.48054761227277 Angstroms
sigma value = 13


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

Energy: 2.469852244649461
Energy: 2.0712822359776335
Energy: 2.9539866837750295
Energy: 2.3467805354189375
Energy: 1.9491861547480842
Energy: 1.9936975417392395
Energy: 2.0066436027321553
Energy: 1.9936975417392395
Energy: 2.006890294178391
Energy: 1.9925037061996091
Energy: 2.376310146476944
Energy: 1.9925037061996091
Energy: 2.008053681443899
Energy: 1.9912585875194573
Energy: 2.349448806612019
Energy: 1.9912585875194573
Energy: 2.0441855357451946
Energy: 1.8814686041327224
Energy: 2.0307329915051335
Energy: 1.8814686041327224
Energy: 2.2401901519327203
Energy: 1.872585869973511
Energy: 2.033883466996631
Energy: 1.872585869973511
Energy: 2.235318944341043
Energy: 1.8685817087766314
Energy: 2.0326411664600883
Energy: 1.8685817087766314
Energy: 2.143736243164672
Energy: 1.8715078876451776
Energy: 2.037126147296504
Energy: 1.8715078876358475
Energy: 2.2349283909647952
Energy: 1.8730130773461264
Energy: 2.030057438509063
Energy: 1.8730130773461264
Energy: 2.23672710231106
Energy: 1.8702983327635387
Energy: 2.035493771116394
Energy: 1.8702983327635387
Energy: 2.2291436118880137
Energy: 1.8760034859244563
Energy: 2.0278026796509447
Energy: 1.8760034859244563
Energy: 2.00001102155291
Energy: 1.9929518832177269
Energy: 2.0371634044040885
Energy: 1.9929518832177269
Energy: 2.012955525974292
Energy: 1.9919760582261268
Energy: 2.03268005359056
Energy: 1.9919760582261268
Energy: 2.0039994058011823
Energy: 1.8795809637102534
Energy: 2.1887304647458476
Energy: 1.8795809637102534
Energy: 2.187962176204334
Energy: 1.9940534637845135
Energy: 2.0067889265936794
Energy: 1.9940534637845135
Energy: 2.1874471874759966
Energy: 1.9985154640048768
Energy: 2.0040601940654565
Energy: 1.9985154640048768
Energy: 2.0091641422844155
Energy: 1.9929558078236738
Energy: 2.0059798938252333
Energy: 1.9929558078236738
Energy: 2.0096038581476976
Energy: 1.9907169628847845
Energy: 2.348835587460914
Energy: 1.9907169628847845
Energy: 2.014629282940322
Energy: 1.9936553536311488
Energy: 1.9508328236375585
Energy: 1.9936553536311488
Energy: 2.035569901132331
Energy: 1.9928186000743078
Energy: 2.00650697525467
Energy: 1.9928186000743078
Energy: 2.350946924766685
Energy: 1.9935718827531796
Energy: 2.002204230736339
Energy: 1.9935718827531796
Energy: 2.0315965267893588
Energy: 1.993223986898965
Energy: 2.006588401523219
Energy: 1.993223986898965
Energy: 2.031966074046235
Energy: 1.8706451498069327
Energy: 2.231746375658377
Energy: 1.8706451498162628
Energy: 2.033742449882464
Energy: 1.868525591262093
Energy: 2.0974683735686654
Energy: 1.868525591262093
Energy: 2.0280847111374105
Energy: 1.8724619130535642
Energy: 2.147968007483096
Energy: 1.8724619130535642
Energy: 2.0257165796483365
Energy: 1.877270701723886
Energy: 2.1951102071745914
Energy: 1.877270701723886
Energy: 2.028573509899824
Energy: 1.8727390035513718
Energy: 2.2336477909278205
Energy: 1.8727390035513718
Energy: 2.032056955824291
Energy: 1.8731578219896075
Energy: 2.2324607814000643
Energy: 1.8731578219896075
Energy: 2.0282869504723564
Energy: 1.9921122280497388
Energy: 2.0006904559849557
Energy: 1.9921122280497388
Energy: 2.2319754773297076
Energy: 1.9919952741954723
Energy: 2.0070732054923486
Energy: 1.9919952741954723
Energy: 2.0344815158121103
Energy: 1.993725129940178
Energy: 2.0095226649820592
Energy: 1.993725129940178
Energy: 2.0087239239838985
Energy: 1.9984940004274794
Energy: 2.1869909449951432
Energy: 1.9984940004274794
Energy: 2.3443950434390075
Energy: 1.992802927166372
Energy: 2.1877721061927256
Energy: 1.992802927166372
Energy: 2.0051215018941453
Energy: 1.9067722246735395
Energy: 2.0105429643646473
Energy: 1.9067722246735395
Energy: 1.9523037363201972
Energy: 1.9928540557474212
Energy: 2.0080476199572597
Energy: 1.9928540557474212

minimum gb energy = 1.868525591262093 eV
minimum distance =  2.48367869438919 Angstroms
sigma value = 37


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

Energy: 2.596332556414096
Energy: 1.9802132894663058
Energy: 2.518531223279109
Energy: 2.56887044226255
Energy: 1.872540317506972
Energy: 1.9083503909327109
Energy: 1.9243483901818157
Energy: 1.9083503909327109
Energy: 1.920783000612907
Energy: 1.905449731786587
Energy: 1.9748290198516925
Energy: 1.905449731786587
Energy: 1.9202757436633098
Energy: 1.9050761040929969
Energy: 1.9740334824670216
Energy: 1.9050761040929969
Energy: 1.931960302776135
Energy: 1.7842703432352303
Energy: 1.9286904997377234
Energy: 1.7842703432352303
Energy: 2.1212245498851647
Energy: 1.7798901940327845
Energy: 1.9271281266482003
Energy: 1.7798901940327845
Energy: 2.1410519117585043
Energy: 1.7774969133901692
Energy: 1.9540509595599345
Energy: 1.7774969133901692
Energy: 2.0924288625711385
Energy: 1.7782625694439762
Energy: 1.9287048944848355
Energy: 1.7782625694455814
Energy: 2.064214698009268
Energy: 1.7343824171639362
Energy: 2.0643873130804886
Energy: 1.7343824171639362
Energy: 2.064600992991304
Energy: 1.7347755394306081
Energy: 2.0688686595915438
Energy: 1.7347755394290025
Energy: 2.102100137860316
Energy: 1.95900324620218
Energy: 2.091569523767504
Energy: 1.95900324620218
Energy: 1.9292554055325972
Energy: 1.7784412953477824
Energy: 2.1207984318842326
Energy: 1.7784412953477824
Energy: 1.9276563849238315
Energy: 1.7780570970685614
Energy: 2.1218091170748092
Energy: 1.7780570970685614
Energy: 1.9316351201006658
Energy: 1.8556593677893813
Energy: 1.9319420570418615
Energy: 1.8556593677893813
Energy: 2.114848357233603
Energy: 1.9082074104920779
Energy: 1.924577743682721
Energy: 1.9082074104920779
Energy: 2.093154981420419
Energy: 1.9071278618265508
Energy: 1.920900974729002
Energy: 1.9071278618265508
Energy: 1.9284626904645203
Energy: 1.784509201503749
Energy: 1.923123284084288
Energy: 1.784509201505354
Energy: 2.2017528417418974
Energy: 2.21337024790455
Energy: 1.9255738445853576
Energy: 2.21337024790455
Energy: 1.9205659576938676
Energy: 1.9060266349724695
Energy: 1.929015596117284
Energy: 1.9060266349724695
Energy: 1.922169326449687
Energy: 1.9083132963846625
Energy: 1.9216279219031374
Energy: 1.9083132963830574

minimum gb energy = 1.7343824171639362 eV
minimum distance =  2.47132636823006 Angstroms
sigma value = 25


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

Energy: 2.5879483883268706
Energy: 1.8299904329277223
Energy: 2.229445091965452
Energy: 2.2668057554201675
Energy: 1.7502428495023048
Energy: 1.7701412987468463
Energy: 1.7866858164659596
Energy: 1.770141298733058
Energy: 1.7821511827132848
Energy: 1.771488132009343
Energy: 1.801726594636287
Energy: 1.771488132009343
Energy: 1.7845001899263242
Energy: 1.7705608918278881
Energy: 1.8931706714155698
Energy: 1.7705608918278881
Energy: 1.779860306592038
Energy: 1.6559357787216042
Energy: 1.7777700259778737
Energy: 1.6559357787216042
Energy: 1.891892293817987
Energy: 1.6540637887517864
Energy: 1.7763484173060808
Energy: 1.6540637887517864
Energy: 1.8925817732298442
Energy: 1.6544796497568828
Energy: 1.7795435295559214
Energy: 1.6544796497568828
Energy: 1.8495961161557894
Energy: 1.6558196876286013
Energy: 1.775886412201057
Energy: 1.6558196876286013
Energy: 1.850549555166111
Energy: 1.5784283175083207
Energy: 2.0182912131299697
Energy: 1.5784283175083207
Energy: 1.8532165463420354
Energy: 1.575370511046721
Energy: 2.0187851729449537
Energy: 1.575370511046721
Energy: 1.8502660357706628
Energy: 1.805242947650497
Energy: 2.000031583185732
Energy: 1.805242947650497
Energy: 1.958079248223641
Energy: 1.5447078778265766
Energy: 1.9625490730601438
Energy: 1.5447078778265766
Energy: 1.9584961050120695
Energy: 1.54707882348599
Energy: 1.9626011652983129
Energy: 1.54707882348599
Energy: 1.99459203792806
Energy: 1.5741683259782293
Energy: 1.8491215712718048
Energy: 1.5741683259782293
Energy: 2.017825910009474
Energy: 1.577245383089794
Energy: 1.8508547408266882
Energy: 1.577245383089794
Energy: 2.018867312445284
Energy: 1.5750267072076243
Energy: 1.851202471078686
Energy: 1.5750267072076243
Energy: 1.7780381493811184
Energy: 1.6537896260701652
Energy: 1.8498875549828133
Energy: 1.6537896260701652
Energy: 1.7772949380155436
Energy: 1.654574252233056
Energy: 2.0151848907867445
Energy: 1.654574252233056
Energy: 1.7762316930771336
Energy: 1.6563995585315037
Energy: 1.8515416422869222
Energy: 1.6563995585315037
Energy: 1.77725085526786
Energy: 1.7695780230575688
Energy: 1.7845307852421364
Energy: 1.7695780230575688
Energy: 1.7780572470455391
Energy: 1.7738133407119099
Energy: 1.7847832959430292
Energy: 1.7738133407119099
Energy: 1.7783203613893146
Energy: 1.7696705564009718
Energy: 1.782765643370191
Energy: 1.7696705564009718
Energy: 1.7873934249038592
Energy: 1.770256771931706
Energy: 1.776432196023822
Energy: 1.770256771931706
Energy: 2.0543813536978277
Energy: 1.7706204550688045
Energy: 1.7792362933717905
Energy: 1.7706204550688045
Energy: 1.7836197536952165
Energy: 1.7708363508511646
Energy: 1.7833515804463582
Energy: 1.7708363508499112
Energy: 1.7989403832642101
Energy: 1.7701492531883678
Energy: 1.7830374237978066
Energy: 1.7701492531883678

minimum gb energy = 1.5447078778265766 eV
minimum distance =  2.48496220171059 Angstroms
sigma value = 41


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

Energy: 2.295445583831415
Energy: 1.7001612811374125
Energy: 2.0185891581236293
Energy: 2.0228383079320054
Energy: 1.6372298932978588
Energy: 1.557888912587366
Energy: 1.66864976144925
Energy: 1.557888912587366
Energy: 1.6648283019760972
Energy: 1.6527434384168658
Energy: 1.6652952491052995
Energy: 1.6527434384168658
Energy: 1.6669345569293856
Energy: 1.6534231876985714
Energy: 1.6899051657955877
Energy: 1.6534231876985714
Energy: 1.6560281945597368
Energy: 1.5622215097560617
Energy: 1.6544176061095655
Energy: 1.5622215097560617
Energy: 1.7213759703366143
Energy: 1.5542149891148862
Energy: 1.653805630528938
Energy: 1.5542149891148862
Energy: 1.7211888890011575
Energy: 1.552869288307529
Energy: 1.6543765402749178
Energy: 1.552869288307529
Energy: 1.6981260617859981
Energy: 1.5548083763997071
Energy: 1.6513212823075263
Energy: 1.5548083763997071
Energy: 1.7043796353922265
Energy: 1.4724951153988082
Energy: 1.8521598146137166
Energy: 1.4724951153988082
Energy: 1.6974996879100526
Energy: 1.4719189186884252
Energy: 1.8466827392069962
Energy: 1.4719189186884252
Energy: 1.695540027847248
Energy: 1.4173234618892134
Energy: 1.790518091351119
Energy: 1.4173234618892134
Energy: 1.890887347895093
Energy: 1.4180770063606447
Energy: 1.7666020015914385
Energy: 1.4180770063606447
Energy: 1.7961643684163966
Energy: 1.422732583315025
Energy: 1.7678891262807759
Energy: 1.422732583315025
Energy: 1.8651139542903703
Energy: 1.4000948385380199
Energy: 1.8701466212994182
Energy: 1.4000948385380199
Energy: 1.8576887446451826
Energy: 1.405264302438593
Energy: 1.8569950601609042
Energy: 1.405264302438593
Energy: 1.8608968954668759
Energy: 1.3995838107710203
Energy: 1.8636548773976143
Energy: 1.3995838107710203
Energy: 1.772657242705016
Energy: 1.4159757802934263
Energy: 1.8654232269170725
Energy: 1.4159757802934263
Energy: 1.7666046078281783
Energy: 1.421302243734464
Energy: 1.8924913928860676
Energy: 1.421302243734464
Energy: 1.791090780692279
Energy: 1.4243343087647147
Energy: 1.89676367400089
Energy: 1.4243343087647147
Energy: 1.787026181439098
Energy: 1.4776257783087683
Energy: 1.7078606385904762
Energy: 1.4776257783087683
Energy: 1.7881615420393864
Energy: 1.4729192692956214
Energy: 1.698298510865993
Energy: 1.4729192692956214
Energy: 1.7412168477750578
Energy: 1.4739958113434581
Energy: 1.6938265809820245
Energy: 1.4739958113434581
Energy: 1.6605060684626924
Energy: 1.5515484038090057
Energy: 1.7034854687280792
Energy: 1.5515484038090057
Energy: 1.6600415135718234
Energy: 1.5523087394332142
Energy: 1.7874502116610387
Energy: 1.5523087394332142
Energy: 1.6536955918251965
Energy: 1.5551844749714052
Energy: 1.6547003759870131
Energy: 1.5551844749714052
Energy: 1.653930785953659
Energy: 1.6529956802728936
Energy: 1.6690349390265249
Energy: 1.6529956802728936
Energy: 1.653228019300047
Energy: 1.6543419144832254
Energy: 1.6664172399295776
Energy: 1.6543419144832254
Energy: 1.6525032287323769
Energy: 1.558597928228943
Energy: 1.6656329206676428
Energy: 1.558597928228943
Energy: 1.6677829222962817
Energy: 1.6525404848583987
Energy: 1.6541161874302215
Energy: 1.652540484868675
Energy: 1.6644321778716265
Energy: 1.6521814056820319
Energy: 1.6535828077379306
Energy: 1.6521814056820319
Energy: 1.664500280423515
Energy: 1.6516783709373342
Energy: 1.6651519340810303
Energy: 1.6516783709783927
Energy: 1.6642665021240266
Energy: 1.653433452333978
Energy: 1.6663059971890326
Energy: 1.653433452333978

minimum gb energy = 1.3995838107710203 eV
minimum distance =  2.49047216450761 Angstroms
sigma value = 15


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

Energy: 2.0663872653619335
Energy: 1.588601628979405
Energy: 1.8557355321021356
Energy: 1.8588032892349613
Energy: 1.5367435813732493
Energy: 1.4762145143212493
Energy: 1.561548786623415
Energy: 1.4762145143038383
Energy: 1.5602891174373048
Energy: 1.5541603750634658
Energy: 1.5566637855027894
Energy: 1.5541603750634658
Energy: 1.560004522123398
Energy: 1.5516122685249618
Energy: 1.5373318001364686
Energy: 1.5516122685249618
Energy: 1.5525289589081737
Energy: 1.4631510290847833
Energy: 1.549338543824521
Energy: 1.4631510290847833
Energy: 1.5930655443607895
Energy: 1.4664767899403344
Energy: 1.5488814163398708
Energy: 1.4664767899403344
Energy: 1.554289733275183
Energy: 1.4657849867406627
Energy: 1.5479241095380918
Energy: 1.4657849867406627
Energy: 1.5790683198134834
Energy: 1.4904079233972407
Energy: 1.547237052376165
Energy: 1.4904079233885352
Energy: 1.5890384789335519
Energy: 1.3901378316955326
Energy: 1.5545868044404665
Energy: 1.3901378316955326
Energy: 1.5768840340194246
Energy: 1.3925168553048806
Energy: 1.5547631897566365
Energy: 1.3925168553048806
Energy: 1.575465579316032
Energy: 1.3316586775380226
Energy: 1.630779635809167
Energy: 1.331658677529317
Energy: 1.7535132420403816
Energy: 1.3370751799710474
Energy: 1.6248711768180524
Energy: 1.3370751799710474
Energy: 1.6528578128288955
Energy: 1.335887609514459
Energy: 1.624505524205173
Energy: 1.335887609514459
Energy: 1.7301747244130252
Energy: 1.3021311064385148
Energy: 1.6258960614490872
Energy: 1.3021311064385148
Energy: 1.6992617388795035
Energy: 1.3025000923958925
Energy: 1.697328678677362
Energy: 1.3025000923958925
Energy: 1.688223359761823
Energy: 1.3008067931188996
Energy: 1.7864019680541288
Energy: 1.3008067931188996
Energy: 1.7626766803992244
Energy: 1.28497945950174
Energy: 1.7527831538831082
Energy: 1.28497945950174
Energy: 1.7628965856349579
Energy: 1.2854949065444763
Energy: 1.763475656483441
Energy: 1.2854949065444763
Energy: 1.7545867977475738
Energy: 1.2831057788997022
Energy: 1.7620951569771799
Energy: 1.2831057788997022
Energy: 1.748959465224029
Energy: 1.3027307731723405
Energy: 1.689037362536301
Energy: 1.3027307731723405
Energy: 1.8194731630318306
Energy: 1.3007064008538278
Energy: 1.703295601195095
Energy: 1.3007064008538278
Energy: 1.7274582508986482
Energy: 1.3001078623045685
Energy: 1.72714244372059
Energy: 1.3001078623045685
Energy: 1.6261190784073585
Energy: 1.334233134867292
Energy: 1.7207013259112736
Energy: 1.334233134867292
Energy: 1.6253149525033956
Energy: 1.3374062883150761
Energy: 1.7246855460709187
Energy: 1.3374062883150761
Energy: 1.630378597879465
Energy: 1.3297940324191717
Energy: 1.5756736318007554
Energy: 1.3297940324191717
Energy: 1.5778862210675748
Energy: 1.4000828232384976
Energy: 1.577144618682244
Energy: 1.4000828232384976
Energy: 1.5758082150720851
Energy: 1.3888136729082585
Energy: 1.5875722591389974
Energy: 1.3888136729082585
Energy: 1.5474441669724066
Energy: 1.3988360144616045
Energy: 1.5780593434615682
Energy: 1.3988360144703105
Energy: 1.5477422735431392
Energy: 1.4659414208147679
Energy: 1.5484335621867096
Energy: 1.4659414208147679
Energy: 1.5489170067977542
Energy: 1.4660841274051237
Energy: 1.5467420014008866
Energy: 1.4660841274051237
Energy: 1.5499697156676238
Energy: 1.4782548479727384
Energy: 1.5529260482181089
Energy: 1.478254847964033
Energy: 1.5765484008635502
Energy: 1.5509564363753423
Energy: 1.5582586057054661
Energy: 1.5509564363753423
Energy: 1.5754814794655585
Energy: 1.5532068872183942
Energy: 1.5608121589722352
Energy: 1.5532068872183942
Energy: 1.5484488354922665
Energy: 1.4765398792286004
Energy: 1.5624386094256904
Energy: 1.4765398792286004
Energy: 1.7781827036711872
Energy: 1.7742779682333774
Energy: 1.5528788822562023
Energy: 1.7742779682333774
Energy: 1.5592989229667777
Energy: 1.5557249881135446
Energy: 1.5487385190857024
Energy: 1.5557249881222504
Energy: 1.555965624589574
Energy: 1.555019215115623
Energy: 1.5600126895313557
Energy: 1.555019215106957

minimum gb energy = 1.2831057788997022 eV
minimum distance =  2.49023408223879 Angstroms
sigma value = 85


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

Energy: 1.9468002324744587
Energy: 1.4739012096853443
Energy: 1.69892420155873
Energy: 1.7015796062567012
Energy: 1.433925822925176
Energy: 1.369256182395581
Energy: 1.4423530928301005
Energy: 1.3692561824030969
Energy: 1.4484062196179597
Energy: 1.4423792622757425
Energy: 1.4809997669024724
Energy: 1.4423792622757425
Energy: 1.4488101477626047
Energy: 1.440969935894142
Energy: 1.4540899420450673
Energy: 1.440969935894142
Energy: 1.4434418695755882
Energy: 1.369265489770695
Energy: 1.4406323020583531
Energy: 1.369265489770695
Energy: 1.4892237300382902
Energy: 1.3711848318713364
Energy: 1.4397696585055644
Energy: 1.3711848318713364
Energy: 1.4501598449882573
Energy: 1.3682459925204362
Energy: 1.4398017715097244
Energy: 1.3682459925204362
Energy: 1.4649301938772723
Energy: 1.2987910250929509
Energy: 1.4409128381109237
Energy: 1.2987910250929509
Energy: 1.462084129418751
Energy: 1.297008504804477
Energy: 1.4872256522661262
Energy: 1.297008504804477
Energy: 1.4631079695960125
Energy: 1.2968909681075127
Energy: 1.485774018814767
Energy: 1.2968909681075127
Energy: 1.4627087995282815
Energy: 1.2430560470937915
Energy: 1.5004594214211504
Energy: 1.2430560470937915
Energy: 1.4800889760183564
Energy: 1.2408989071749086
Energy: 1.4991904708588826
Energy: 1.2408989071749086
Energy: 1.5825205636143544
Energy: 1.2423837411074294
Energy: 1.5006127518350891
Energy: 1.2423837411074294
Energy: 1.5828049724042064
Energy: 1.2061516861783363
Energy: 1.5009321138839575
Energy: 1.2061516861783363
Energy: 1.5512461448977557
Energy: 1.2038982896596298
Energy: 1.6267247430374119
Energy: 1.2038982896520793
Energy: 1.5506167181829675
Energy: 1.2049723403388428
Energy: 1.6154989550384602
Energy: 1.2049723403388428
Energy: 1.6272001383450967
Energy: 1.1831100084866244
Energy: 1.6137692124432417
Energy: 1.1831100084866244
Energy: 1.6287103206231992
Energy: 1.182651319085272
Energy: 1.6062321460207156
Energy: 1.182651319085272
Energy: 1.626691948254597
Energy: 1.1860002250089603
Energy: 1.6089747666900966
Energy: 1.1860002250089603
Energy: 1.6282557053116096
Energy: 1.1761634446723166
Energy: 1.67121435848958
Energy: 1.1761634446723166
Energy: 1.6652642608088968
Energy: 1.175364233121307
Energy: 1.665154275682861
Energy: 1.175364233121307
Energy: 1.6113983829829595
Energy: 1.1756201181584345
Energy: 1.6292495342559874
Energy: 1.1756201181584345
Energy: 1.608365665655666
Energy: 1.1822633001414273
Energy: 1.6876016612190674
Energy: 1.1822633001414273
Energy: 1.6063078421471615
Energy: 1.1819178945073099
Energy: 1.6290588761482314
Energy: 1.1819178945073099
Energy: 1.614030666951917
Energy: 1.1852172810556212
Energy: 1.5488954053890196
Energy: 1.1852172810556212
Energy: 1.617137463880286
Energy: 1.2039086924058555
Energy: 1.550113914331766
Energy: 1.2039086924058555
Energy: 1.6546800651721145
Energy: 1.2056842904027825
Energy: 1.5477872197584759
Energy: 1.2056842904027825
Energy: 1.4995747843811895
Energy: 1.2422213870004608
Energy: 1.5831498320319886
Energy: 1.2422213870004608
Energy: 1.5014684496177222
Energy: 1.2415346979412993
Energy: 1.4664756748229661
Energy: 1.2415346979412993
Energy: 1.4987614713490625
Energy: 1.2419528020177244
Energy: 1.583799120357958
Energy: 1.2419528020177244
Energy: 1.5015636703918158
Energy: 1.2994172263945691
Energy: 1.4624865574798351
Energy: 1.2994172263945691
Energy: 1.4635405961352814
Energy: 1.2957395572534047
Energy: 1.4656220369637807
Energy: 1.2957395572534047
Energy: 1.5010041241279357
Energy: 1.3000159017023132
Energy: 1.4620487090793282
Energy: 1.3000159017023132
Energy: 1.4404452826269276
Energy: 1.368641943076687
Energy: 1.463401083756323
Energy: 1.368641943076687
Energy: 1.4415819837161261
Energy: 1.3679553282643988
Energy: 1.4647562563082208
Energy: 1.3679553282643988
Energy: 1.4406331864998778
Energy: 1.3688499537308638
Energy: 1.4647968316751305
Energy: 1.3688499537308638
Energy: 1.465461123347734
Energy: 1.3706155528638593
Energy: 1.448652257130025
Energy: 1.3706155528638593
Energy: 1.443472671211188
Energy: 1.441269313346829
Energy: 1.4530510331788782
Energy: 1.441269313346829
Energy: 1.440299368248369
Energy: 1.441390031745104
Energy: 1.4485327935848982
Energy: 1.4413900317300035
Energy: 1.4401578097473564
Energy: 1.3691589998460292
Energy: 1.467801613296156
Energy: 1.3691589998460292
Energy: 1.4478406274363254
Energy: 1.4428267857687318
Energy: 1.445576090686408
Energy: 1.4428267857687318
Energy: 1.4516860865750572
Energy: 1.370107571204896
Energy: 1.4486801870966943
Energy: 1.370107571235063
Energy: 1.438701873215686
Energy: 1.4418107266725113
Energy: 1.4480201780641704
Energy: 1.4418107266725113

minimum gb energy = 1.175364233121307 eV
minimum distance =  2.49630851821506 Angstroms
sigma value = 113


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

Energy: 0.014648340263539113
Energy: 0.01878343426161633
Energy: 1.5551397941368814
Energy: 0.1077990213102661
Energy: 0.016270934897233063
Energy: 0.10730233896683805
Energy: 0.2846135507745809
Energy: 0.10730233896683805
Energy: 0.28431043176594456
Energy: 0.10687176270395458
Energy: 0.016213203434705163
Energy: 0.10687176270395458
Energy: 0.2845126369176812
Energy: 0.10798110960709384
Energy: 0.020021929359139216
Energy: 0.10798110960709384
Energy: 0.2844148943052509
Energy: 0.10772575971328198
Energy: 0.2856005744813842
Energy: 0.10772575971328198
Energy: 0.015894589417416574
Energy: 0.10672652967438333
Energy: 0.2844031709870752
Energy: 0.10672652967438333

minimum gb energy = 0.014648340263539113 eV
minimum distance =  2.705695996968 Angstroms
sigma value = 1