Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004
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=3.52732940018177
cohesive_energy=4.194297203762934
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017061819034555618
Energy: 0.017527363714533704
Energy: 0.3573308248524117
Energy: 0.017527363714533704
Energy: 0.017527363714533704
Energy: 1.8750655283297868
Energy: 0.017527363714533704
Energy: 1.8750655283297868
Energy: 0.3573308248524117
Energy: 0.01752736371515589
Energy: 0.017061819034555618
Energy: 0.01752736371515589
Energy: 0.017527363714533704
Energy: 1.8750655283297868
Energy: 0.017527363714533704
Energy: 1.8750655283297868

minimum gb energy = 0.017061819034555618 eV
minimum distance =  2.39090876746348 Angstroms
sigma value = 1


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

Energy: 1.876219430240883
Energy: 1.98488979665054
Energy: 1.7825306180912337
Energy: 1.9848897966513392
Energy: 1.8056346087946524
Energy: 1.9729928010704478
Energy: 1.8028484486798702
Energy: 1.9729928010720457
Energy: 1.5899178916028767
Energy: 1.965228798790737
Energy: 1.7988698873487992
Energy: 1.9652287987931338
Energy: 1.7825474140846223
Energy: 1.9986661947114441
Energy: 1.7927434762892862
Energy: 1.9986661947122433
Energy: 1.7870553250164578
Energy: 1.9854302470734446
Energy: 1.782137884043721
Energy: 1.9854302470726455
Energy: 1.7150678406739561
Energy: 1.919805518328634
Energy: 1.7636277590755882
Energy: 1.9198055183294331
Energy: 1.805702701601696
Energy: 1.965108775541709
Energy: 1.7172181107002806
Energy: 1.965108775539312
Energy: 1.6039445931900338
Energy: 1.9852768949248887
Energy: 1.7565137165002944
Energy: 1.9852768949256876
Energy: 1.7923843379793811
Energy: 1.805967019752601
Energy: 1.781487699758986
Energy: 1.8059670197534
Energy: 1.7714561241869777
Energy: 1.9647437269504642
Energy: 1.591613828019089
Energy: 1.9647437269512629
Energy: 1.781821013346203
Energy: 1.9232145768279512
Energy: 1.7928557687195477
Energy: 1.9232145768263533
Energy: 1.7705032349476486
Energy: 1.9851500266619917
Energy: 1.7884972500769378
Energy: 1.9851500266619917
Energy: 1.8008948427939249
Energy: 1.965065653266752
Energy: 1.809581528874876
Energy: 1.9650656532675512
Energy: 1.800881604821313
Energy: 1.9744110496986216
Energy: 1.7862825294475018
Energy: 1.9744110496986216
Energy: 1.7740930139389584
Energy: 1.9854549662562504
Energy: 1.7976373261358478
Energy: 1.9854549662578485
Energy: 1.773818726553951
Energy: 1.9846711128538195
Energy: 1.7977175792029882
Energy: 1.9846711128538195
Energy: 1.7987626335069504
Energy: 1.9651697287786762
Energy: 1.6782711003198414
Energy: 1.9651697287786762
Energy: 1.8032215379530157
Energy: 1.9657391506365554
Energy: 1.8037631589398784
Energy: 1.9657391506389523
Energy: 1.6824395626052415
Energy: 1.9846455967364829
Energy: 1.814436806129155
Energy: 1.984645596735684
Energy: 1.802751273041149
Energy: 1.804340258042864
Energy: 1.7952573432941386
Energy: 1.804340258042864
Energy: 1.766927528931202
Energy: 1.9651407987985794
Energy: 1.642784953137498
Energy: 1.9651407987985794
Energy: 1.7932238653951493
Energy: 1.9376431357582244
Energy: 1.7827638652743065
Energy: 1.937643135759822
Energy: 1.6957242922399929
Energy: 1.9853561479775053
Energy: 1.695630223632373
Energy: 1.985356147979103
Energy: 1.764265884839382
Energy: 1.9659403166182734
Energy: 1.7151657644077536
Energy: 1.9659403166182734
Energy: 1.716920380105353
Energy: 1.9176183345568973
Energy: 1.8057524400969927
Energy: 1.9176183345560989
Energy: 1.7831165294358746
Energy: 1.9852725004274148
Energy: 1.6039928975070268
Energy: 1.985272500426616
Energy: 1.7900366636461251
Energy: 1.972947032494486
Energy: 1.7921907253590357
Energy: 1.972947032498481
Energy: 1.589594502643637
Energy: 1.9649880240126307
Energy: 1.7984532223897347
Energy: 1.9649880240126307
Energy: 1.8013552921330533
Energy: 1.9772029037683436
Energy: 1.783595298955945
Energy: 1.9772029037675447
Energy: 1.8242996256883621
Energy: 1.9847379686431976
Energy: 1.7714163514248102
Energy: 1.9847379686447955
Energy: 1.8172353091719597
Energy: 1.9730899403118578
Energy: 1.800337385768523
Energy: 1.973089940311059
Energy: 1.7663605566688065
Energy: 1.9656790480204331
Energy: 1.8006185504533312
Energy: 1.9656790480204331
Energy: 1.7869653626870252
Energy: 1.998074827529918
Energy: 1.7965346921408105
Energy: 1.998074827529119

minimum gb energy = 1.589594502643637 eV
minimum distance =  2.20738306337951 Angstroms
sigma value = 1


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

Energy: 2.013595921326286
Energy: 2.1352690943518113
Energy: 1.9030370255622706
Energy: 2.135269094345434
Energy: 1.909351855607419
Energy: 2.062475525255556
Energy: 1.9141630459247223
Energy: 2.0624755252519127
Energy: 1.696182233650654
Energy: 2.1352686153127705
Energy: 1.9140976332125998
Energy: 2.1352686153109484
Energy: 1.8993270077948725
Energy: 2.038179741279513
Energy: 1.8198210357871516
Energy: 2.0381797412840674
Energy: 1.899934087220911
Energy: 2.1072147602338767
Energy: 1.850522156548628
Energy: 2.107214760232055
Energy: 1.9282829818961025
Energy: 2.107538014702087
Energy: 1.900527341867669
Energy: 2.107538014702998
Energy: 1.9001145966470232
Energy: 2.0368942790649847
Energy: 1.8198223508859337
Energy: 2.0368942790613414
Energy: 1.6960287777043417
Energy: 2.135498373339746
Energy: 1.890919461686911
Energy: 2.1354983733470334
Energy: 1.9009379260178088
Energy: 1.9473931110440246
Energy: 1.9142592549528985
Energy: 1.9473931110440246
Energy: 1.9439453117351124
Energy: 2.135555327598625
Energy: 1.691857956760563
Energy: 2.1355553275931594
Energy: 1.9002572515099994
Energy: 2.105215506329402
Energy: 1.9145509902514428
Energy: 2.1052155063275793
Energy: 1.7995105261358624
Energy: 2.1215915411687756
Energy: 1.9138218682418229
Energy: 2.1215915411678647
Energy: 1.9379934775406915
Energy: 2.1065457424614364
Energy: 1.8535945314842035
Energy: 2.1065457424614364
Energy: 1.9379735096719164
Energy: 2.1066519360390816
Energy: 1.8602972137178997
Energy: 2.1066519360354374
Energy: 1.7992459371942418
Energy: 2.1218203365913393
Energy: 1.9139122034921798
Energy: 2.1218203365895176
Energy: 1.9000787640224714
Energy: 2.1052425760252023
Energy: 1.914553513293527
Energy: 2.105242576031579
Energy: 1.943671546138513
Energy: 2.135597354911921
Energy: 1.751343530548165
Energy: 2.135597354911921
Energy: 1.9009808991167942
Energy: 1.9471342043958175
Energy: 1.9142571259480652
Energy: 1.9471342043930848
Energy: 1.6962115530657191
Energy: 2.1355018171765345
Energy: 1.8912117437221492
Energy: 2.1355018171756646
Energy: 1.9000738764943204
Energy: 2.036924149153976
Energy: 1.8300179871019426
Energy: 2.036924149146688
Energy: 1.9283739500741122
Energy: 2.1082319098239064
Energy: 1.8506994173582274
Energy: 2.108231909819352
Energy: 1.8999312138980367
Energy: 2.10727082032619
Energy: 1.904115940690788
Energy: 2.10727082032619
Energy: 1.8995525012563257
Energy: 2.0378971011624945
Energy: 1.8197827225639998
Energy: 2.0378971011634053
Energy: 1.6960996735360563
Energy: 2.1351358508919773
Energy: 1.914442145120167
Energy: 2.13513585089471
Energy: 1.90941061941521
Energy: 2.06239393600227
Energy: 1.9140725952128346
Energy: 2.0623939360004484
Energy: 2.013595921327197
Energy: 2.135269094352722
Energy: 1.8040964648453286
Energy: 2.1352690943463455
Energy: 1.909351855607419
Energy: 2.062475525253734
Energy: 1.9141630459256334
Energy: 2.0624755252519127
Energy: 1.6961822336515653
Energy: 2.1352686153136813
Energy: 1.9209872711105633
Energy: 2.1352686153109484
Energy: 1.8993270077957838
Energy: 2.038179741279513
Energy: 1.8320770383639537
Energy: 2.0381797412840674

minimum gb energy = 1.691857956760563 eV
minimum distance =  2.19162083169282 Angstroms
sigma value = 25


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

Energy: 2.1636026796717114
Energy: 2.293248831839652
Energy: 2.0776326873645594
Energy: 2.29324883184177
Energy: 2.0227020174719725
Energy: 2.1696960154591247
Energy: 2.0801755196543694
Energy: 2.169696015457007
Energy: 1.8182721572252547
Energy: 2.318957592428841
Energy: 2.0765746182816627
Energy: 2.3189575924267225
Energy: 2.055017789785836
Energy: 2.2280207963301852
Energy: 1.9561273384544184
Energy: 2.2280207963259495
Energy: 1.9540867314378962
Energy: 2.2742113944633635
Energy: 2.002831010436478
Energy: 2.2742113944644227
Energy: 2.0980728741418897
Energy: 2.31879545406229
Energy: 2.0558375093311687
Energy: 2.318795454064408
Energy: 2.059403265706575
Energy: 2.172111483194544
Energy: 2.0005241559100266
Energy: 2.172111483194544
Energy: 2.0280915875161543
Energy: 2.2746256186687916
Energy: 1.9177446570280132
Energy: 2.2746256186645555
Energy: 2.0003401570315646
Energy: 2.205230004682316
Energy: 2.0593054096071914
Energy: 2.205230004680198
Energy: 2.075574832607901
Energy: 2.318956323503061
Energy: 2.017404695172533
Energy: 2.3189563235072965
Energy: 1.9983667295180036
Energy: 2.274100055651279
Energy: 2.054723791017302
Energy: 2.2741000556481024
Energy: 1.9562874035529285
Energy: 2.285097901350613
Energy: 2.054520266553609
Energy: 2.2850979013516723
Energy: 2.0761536012902777
Energy: 2.310864200896444
Energy: 1.884200153564198
Energy: 2.310864200894326
Energy: 2.0609452091611766
Energy: 2.0599677479659992
Energy: 2.0588044598327704
Energy: 2.0599677479659992
Energy: 1.88421747375616
Energy: 2.2746481662968328
Energy: 1.9230140530832955
Energy: 2.274648166295774
Energy: 2.055502717079128
Energy: 2.18008814999699
Energy: 1.9549630512721912
Energy: 2.180088149995931
Energy: 1.890059921831018
Energy: 2.3190544594555824
Energy: 1.895247260299336
Energy: 2.3190544594545233
Energy: 1.9560860112635063
Energy: 2.274857200715203
Energy: 2.0412122632209493
Energy: 2.2748572007173213
Energy: 2.0098173129087367
Energy: 2.286525184412578
Energy: 1.9551216748341451
Energy: 2.286525184412578
Energy: 2.058250136390406
Energy: 2.3182601688004305
Energy: 2.0768732408782324
Energy: 2.318260168801489
Energy: 2.0454065234041843
Energy: 2.1503998287474677
Energy: 2.0787867665529705
Energy: 2.150399828744291
Energy: 2.11754416077431
Energy: 2.2870208325259545
Energy: 2.068413343263282
Energy: 2.2870208325248953
Energy: 2.0238706648705755
Energy: 2.2464347840018304
Energy: 2.0759468074921004
Energy: 2.2464347840007717
Energy: 1.818790977926899
Energy: 2.3187784384109054
Energy: 2.0755455274692998
Energy: 2.318778438409846
Energy: 2.0547777251145045
Energy: 2.224838836433653
Energy: 1.9565355172067178
Energy: 2.2248388364325935

minimum gb energy = 1.8182721572252547 eV
minimum distance =  2.19227126912187 Angstroms
sigma value = 9


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

Energy: 2.337581560573216
Energy: 2.298541140704788
Energy: 2.2409069890562483
Energy: 2.298541140707315
Energy: 2.1382051611574857
Energy: 2.387369389999961
Energy: 2.210377609838839
Energy: 2.387369390002487
Energy: 1.9511981312584001
Energy: 2.298628449976633
Energy: 2.209167023986479
Energy: 2.298628449976633
Energy: 2.2303222390519655
Energy: 2.4644629922091554
Energy: 2.003186681856669
Energy: 2.4644629922091554
Energy: 2.2926705970124948
Energy: 2.387888502025721
Energy: 2.2095004522645576
Energy: 2.3878885020282477
Energy: 1.9498701449694482
Energy: 2.285215072567967
Energy: 1.988682119244768
Energy: 2.28521507256923
Energy: 2.2337912210641364
Energy: 2.003696491204043
Energy: 2.007115919788817
Energy: 2.0036964912027804
Energy: 2.117127551288774
Energy: 2.2472318890720535
Energy: 1.9901844212271922
Energy: 2.2472318890720535
Energy: 2.23521192424608
Energy: 2.387873187484224
Energy: 2.209179552131292
Energy: 2.387873187486751
Energy: 2.229176297108703
Energy: 2.233953419029183
Energy: 2.0034265179774366
Energy: 2.233953419029183
Energy: 2.090689480172762
Energy: 2.43083013958444
Energy: 2.2092402565775617
Energy: 2.4308301395857033
Energy: 2.229307217661403
Energy: 2.230778800802549
Energy: 2.003160011480151
Energy: 2.230778800802549
Energy: 1.9508364821283652
Energy: 2.2989014447033225
Energy: 2.04055753510634
Energy: 2.2989014447033225
Energy: 2.081670044941502
Energy: 2.2483053103220594
Energy: 2.210714349745422
Energy: 2.2483053103207964
Energy: 1.9508438482940142
Energy: 2.2989386205359152
Energy: 1.9509272806867577
Energy: 2.2989386205371787
Energy: 2.229509787140742
Energy: 2.2316648189385857
Energy: 2.0032100014569294
Energy: 2.231664818936059
Energy: 2.0907929969914694
Energy: 2.430762508364284
Energy: 2.2092931570157592
Energy: 2.430762508364284
Energy: 2.229182760720403
Energy: 2.233681402396618
Energy: 2.0034097588700392
Energy: 2.233681402395355
Energy: 2.2351098218979253
Energy: 2.3878745632187055
Energy: 2.1788078323286437
Energy: 2.387874563217442
Energy: 2.1171148491543037
Energy: 2.2479017794296237
Energy: 1.990184059430052
Energy: 2.2479017794296237
Energy: 2.233354172302898
Energy: 2.0037022175665427
Energy: 2.0070669634248626
Energy: 2.0037022175652797

minimum gb energy = 1.9498701449694482 eV
minimum distance =  2.26976696937149 Angstroms
sigma value = 25


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

Energy: 2.13580030562223
Energy: 2.624848295129522
Energy: 2.5062607849146437
Energy: 2.6248482951279595
Energy: 2.113423232671192
Energy: 2.4182076381015696
Energy: 2.09351744867446
Energy: 2.4182076381015696
Energy: 2.095656249731678
Energy: 2.132497676685014
Energy: 2.093269467496281
Energy: 2.132497676686577
Energy: 2.1307795511284784
Energy: 2.1200124061778736
Energy: 2.2930900498337317
Energy: 2.1200124061778736
Energy: 2.2943304709827457
Energy: 2.11241132454262
Energy: 2.093703655482152
Energy: 2.11241132454262
Energy: 2.094046322733076
Energy: 2.6635728052909196
Energy: 2.095159203279738
Energy: 2.663572805292482
Energy: 2.0940871164192876
Energy: 2.1188418476433863
Energy: 2.093469471373442
Energy: 2.118841847640262
Energy: 2.2924267425025824
Energy: 2.6277738263407215
Energy: 2.1301480656495753
Energy: 2.6277738263422834
Energy: 2.0933351489591736
Energy: 2.416994464999639
Energy: 2.1118918441918773
Energy: 2.416994464999639
Energy: 2.361527186480189
Energy: 2.1547820155527737
Energy: 2.0941598036078273
Energy: 2.1547820155543365
Energy: 2.2751801120120985
Energy: 2.6299395855341996
Energy: 2.4828544494529425
Energy: 2.629939585532637
Energy: 2.093823237985839
Energy: 2.154819421850474
Energy: 2.3620330666082694
Energy: 2.154819421850474
Energy: 2.308717340465199
Energy: 2.1316509188884694
Energy: 2.0945977331037358
Energy: 2.1316509188884694
Energy: 2.093228928958518
Energy: 2.1177325023389004
Energy: 2.131188558536352
Energy: 2.1177325023389004
Energy: 2.093240857596587
Energy: 2.629289397027469
Energy: 2.2954783522349453
Energy: 2.629289397032156
Energy: 2.1124869259961994
Energy: 2.2178749620969294
Energy: 2.0951517458384115
Energy: 2.2178749620922424
Energy: 2.093864153458293
Energy: 2.2593862886369065
Energy: 2.3622356898051073
Energy: 2.2593862886369065

minimum gb energy = 2.093228928958518 eV
minimum distance =  2.25720116723509 Angstroms
sigma value = 17


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

Energy: 2.433608914070629
Energy: 2.428512040349068
Energy: 2.6176525811272837
Energy: 2.428512040349068
Energy: 2.356831119738297
Energy: 2.2789811165651708
Energy: 2.1531398340057333
Energy: 2.2789811165651708
Energy: 2.3429928209763826
Energy: 2.2942191228783266
Energy: 2.1529462988737085
Energy: 2.294219122880096
Energy: 2.1576732540269274
Energy: 2.172122465524883
Energy: 2.2839469845303553
Energy: 2.1721224655407685
Energy: 2.391110752892585
Energy: 2.2910040392298057
Energy: 2.153471099871001
Energy: 2.2910040392333446
Energy: 2.1746110341555442
Energy: 2.2171826840544773
Energy: 2.327587106831552
Energy: 2.2171826840553623
Energy: 2.154547473931265
Energy: 2.2766412021460494
Energy: 2.153136606182832
Energy: 2.2766412021451647
Energy: 2.3301120891977267
Energy: 2.171093090031677
Energy: 2.1663063498129698
Energy: 2.171093090034332
Energy: 2.1677127224202155
Energy: 2.3606993765321658
Energy: 2.398260182053189
Energy: 2.360699376533051
Energy: 2.516868296581157
Energy: 2.2418486527515245
Energy: 2.1534724819356197
Energy: 2.241848652755064
Energy: 2.1626293072851217
Energy: 2.1708251394771527
Energy: 2.349499058353334
Energy: 2.1708251394780373
Energy: 2.167087769033899
Energy: 2.276524041703789
Energy: 2.166836885714386
Energy: 2.2765240417055588
Energy: 2.348235229555393
Energy: 2.171320567775264
Energy: 2.1656732594945556
Energy: 2.171320567777034
Energy: 2.1531646223113245
Energy: 2.3766345516731957
Energy: 2.3567847468145726
Energy: 2.3766345516740808
Energy: 2.3072387746014265
Energy: 2.276686530287268
Energy: 2.167745038590941
Energy: 2.2766865302881523
Energy: 2.3404283760227274
Energy: 2.171500974458874
Energy: 2.330293327370905
Energy: 2.171500974458874
Energy: 2.153679993031938
Energy: 2.3359500789164866
Energy: 2.520841891751356
Energy: 2.335950078914717
Energy: 2.3769139507812667
Energy: 2.160220449336071
Energy: 2.1744923725272876
Energy: 2.160220449336071
Energy: 2.211743618607555
Energy: 2.2797614459714715
Energy: 2.30469430270126
Energy: 2.2797614459714715
Energy: 2.15304883497289
Energy: 2.172167692279657
Energy: 2.1582500289071045
Energy: 2.172167692277002
Energy: 2.2426517850503664
Energy: 2.1591520889510205
Energy: 2.342668447315271
Energy: 2.159152088949251
Energy: 2.153468662552572
Energy: 2.3979853179329482
Energy: 2.5210408476865402
Energy: 2.3979853179338333
Energy: 2.4182147559919303
Energy: 2.1706240230079015
Energy: 2.155080632247421
Energy: 2.170624023008786
Energy: 2.1657654341019317
Energy: 2.2767308057102666
Energy: 2.345528338354699
Energy: 2.276730805712036
Energy: 2.1654295662221585
Energy: 2.2941767285411876
Energy: 2.3432400995412674
Energy: 2.2941767285367636
Energy: 2.376367652827216
Energy: 2.1734362041937865
Energy: 2.1571145245021692
Energy: 2.1734362041973254
Energy: 2.1536865242767025
Energy: 2.397703179865251
Energy: 2.568660314384649
Energy: 2.3977031798643664
Energy: 2.3275828072685982
Energy: 2.2203554871638898
Energy: 2.3446811860322536
Energy: 2.220355487163005
Energy: 2.489191071896243
Energy: 2.385928387403894
Energy: 2.1548454438559745
Energy: 2.385928387403894
Energy: 2.1663978091248404
Energy: 2.3591157263928912
Energy: 2.37706604225354
Energy: 2.359115726390237

minimum gb energy = 2.1529462988737085 eV
minimum distance =  2.25284394515455 Angstroms
sigma value = 53


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

Energy: 2.1139695001082126
Energy: 2.111007847401415
Energy: 2.7364946481350785
Energy: 2.111007847399378
Energy: 2.4234729969794357
Energy: 2.261507881021385
Energy: 2.178923924678037
Energy: 2.261507881023422
Energy: 2.1157593451220067
Energy: 2.110262487100302
Energy: 2.2382774608889653
Energy: 2.110262487100302
Energy: 2.1156602105506948
Energy: 2.110339144532273
Energy: 2.2381046763694834
Energy: 2.110339144532273
Energy: 2.4233254375920183
Energy: 2.2615289604586137
Energy: 2.178844716524603
Energy: 2.261528960456577
Energy: 2.1139695001061756
Energy: 2.111007847401415
Energy: 2.4749789649274554
Energy: 2.111007847399378
Energy: 2.423472996981473
Energy: 2.261507881023422
Energy: 2.2381003021397343
Energy: 2.261507881021385
Energy: 2.1157593451240437
Energy: 2.110262487100302
Energy: 2.4299197918450144
Energy: 2.110262487102339
Energy: 2.115660210552732
Energy: 2.1103391445302364
Energy: 2.3607569214105273
Energy: 2.110339144532273
Energy: 2.4233254375920183
Energy: 2.2615289604586137
Energy: 2.263525321580727
Energy: 2.261528960456577
Energy: 2.1139695001061756
Energy: 2.111007847401415
Energy: 2.650505477572254
Energy: 2.111007847399378
Energy: 2.4234729969794357
Energy: 2.261507881023422
Energy: 2.361694075313036
Energy: 2.261507881021385
Energy: 2.1157593451240437
Energy: 2.110262487100302
Energy: 2.4299247292513204
Energy: 2.110262487100302

minimum gb energy = 2.110262487100302 eV
minimum distance =  2.24231481089052 Angstroms
sigma value = 9


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

Energy: 2.2778891327477746
Energy: 2.4744610120892525
Energy: 2.842423028135856
Energy: 2.4744610120869908
Energy: 2.46308975562402
Energy: 2.3248414259156895
Energy: 2.2166126807946487
Energy: 2.324841425917198
Energy: 2.2126271175810075
Energy: 2.2563594546926127
Energy: 2.2325878177028766
Energy: 2.256359454690351
Energy: 2.3884654534616905
Energy: 2.544058236055226
Energy: 2.216884722021479
Energy: 2.5440582360567343
Energy: 2.4787860929792074
Energy: 2.364663123028413
Energy: 2.240106477317376
Energy: 2.3646631230276594
Energy: 2.2590969508917254
Energy: 2.2564007357178015
Energy: 2.379639114466481
Energy: 2.256400735716294
Energy: 2.730387026680411
Energy: 2.3589071984750096
Energy: 2.230108044863456
Energy: 2.3589071984750096
Energy: 2.2229664060897565
Energy: 2.5058676571334466
Energy: 2.4137997962199482
Energy: 2.5058676571349543
Energy: 2.21691907096545
Energy: 2.5619279551613174
Energy: 2.2627787927018406
Energy: 2.561927955164333
Energy: 2.214335692049126
Energy: 2.3399083099298954
Energy: 2.227666272808054
Energy: 2.339908309933665
Energy: 2.225469146834881
Energy: 2.6003520133456934
Energy: 2.6620580583468993
Energy: 2.600352013347201
Energy: 2.436346996407071
Energy: 2.5317608444958393
Energy: 2.2203179051941193
Energy: 2.5317608444943316
Energy: 2.216924874006989
Energy: 2.3566345634173387
Energy: 2.5613781074258037
Energy: 2.3566345634158314
Energy: 2.3959856771732415
Energy: 2.4059651508822495
Energy: 2.282506812122266
Energy: 2.4059651508845112
Energy: 2.2267955635230234
Energy: 2.4244451790237553
Energy: 2.411335136422726
Energy: 2.4244451790267707
Energy: 2.22047393848127
Energy: 2.5604123156351912
Energy: 2.387861016588052
Energy: 2.560412315632176
Energy: 2.3388611580946628
Energy: 2.424520468472349
Energy: 2.2263909267894912
Energy: 2.424520468473103
Energy: 2.2300087880759447
Energy: 2.359721646185779
Energy: 2.4765870070734084
Energy: 2.359721646185779
Energy: 2.4906685272232285
Energy: 2.355972849771032
Energy: 2.2605154783861563
Energy: 2.3559728497650005
Energy: 2.2210319631620163
Energy: 2.3569745887762656
Energy: 2.3599786294936522
Energy: 2.3569745887762656
Energy: 2.385362034770292
Energy: 2.537158722233781
Energy: 2.391724981446846
Energy: 2.5371587222345355
Energy: 2.3656952115066523
Energy: 2.4431555281379294
Energy: 2.213934035733674
Energy: 2.4431555281296364
Energy: 2.2624358477457314
Energy: 2.4477665693329986
Energy: 2.216539258485537
Energy: 2.447766569336014
Energy: 2.7384972138120496
Energy: 2.40301411700232
Energy: 2.2222226032265784
Energy: 2.4030141170008124
Energy: 2.231058121120563
Energy: 2.4773702506327107
Energy: 2.603198163903085
Energy: 2.4773702506327107
Energy: 2.297007406848338
Energy: 2.256560690501738
Energy: 2.2139406669107613
Energy: 2.2565606905047533
Energy: 2.4155480632139907
Energy: 2.520225345367393
Energy: 2.387480056080362
Energy: 2.5202253453711627
Energy: 2.23204498954659
Energy: 2.54436669963606
Energy: 2.3885164348278485
Energy: 2.5443666996375676
Energy: 2.316391882082565
Energy: 2.255839377380324
Energy: 2.2127908972764763
Energy: 2.255839377383339
Energy: 2.216827399616021
Energy: 2.5487893329561357
Energy: 2.6040145580114964
Energy: 2.5487893329531204
Energy: 2.4261225865785225
Energy: 2.4755490840811585
Energy: 2.221393663815393
Energy: 2.475549084080405
Energy: 2.216224789393426
Energy: 2.3512329341178897
Energy: 2.213785695228732
Energy: 2.351232934117136
Energy: 2.2326011169028592
Energy: 2.4410623091583328
Energy: 2.212707645504559
Energy: 2.4410623091583328
Energy: 2.385203326862973
Energy: 2.5419458366689827
Energy: 2.388062577717916
Energy: 2.5419458366697367
Energy: 2.232697662030775
Energy: 2.489926893477851
Energy: 2.7303180518333403
Energy: 2.489926893476343

minimum gb energy = 2.2126271175810075 eV
minimum distance =  2.23527966356783 Angstroms
sigma value = 73


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

Energy: 2.4412750400057095
Energy: 2.341198271707774
Energy: 2.6948838575892244
Energy: 2.341198271710139
Energy: 2.3597313789542107
Energy: 2.4210660594744584
Energy: 2.2200725030153206
Energy: 2.4210660594732625
Energy: 2.2277479548447263
Energy: 2.6369939647731244
Energy: 2.238893770609045
Energy: 2.6369939647731244
Energy: 2.2078527587676993
Energy: 2.525165756326038
Energy: 2.263727192709573
Energy: 2.5251657563284304
Energy: 2.303083208622572
Energy: 2.419663148783953
Energy: 2.301086570819219
Energy: 2.419663148785149
Energy: 2.2555959658996296
Energy: 2.2224606587307916
Energy: 2.5077736756763693
Energy: 2.2224606587307916
Energy: 2.731505239887573
Energy: 2.495700732986085
Energy: 2.221793208303547
Energy: 2.4957007329872813
Energy: 2.228722598650002
Energy: 2.274849585596154
Energy: 2.6552689446490656
Energy: 2.274849585596154
Energy: 2.6262811073424746
Energy: 2.2237062322208567
Energy: 2.2259271140553993
Energy: 2.223706232222026
Energy: 2.224041346064307
Energy: 2.386903938842896
Energy: 2.2238494002127265
Energy: 2.3869039388416997
Energy: 2.231392834362562
Energy: 2.224478429817235
Energy: 2.5263196138115718
Energy: 2.2244784298184315
Energy: 2.4833264155279116
Energy: 2.5221028592180397
Energy: 2.2071405076674
Energy: 2.522102859215647
Energy: 2.2571357540501644
Energy: 2.385953719270538
Energy: 2.6798264760433375
Energy: 2.3859537192741263
Energy: 2.5958933452302477
Energy: 2.497959661160922
Energy: 2.2557802822352158
Energy: 2.4979596611597255
Energy: 2.2317330605147583
Energy: 2.531353077469213
Energy: 2.560504393981149
Energy: 2.531353077468017
Energy: 2.525506314836268
Energy: 2.2742123075754526
Energy: 2.2290457714558416
Energy: 2.2742123075754526
Energy: 2.3407309728757077
Energy: 2.340742252038063
Energy: 2.2273621267211308
Energy: 2.340742252039259
Energy: 2.339832462783078
Energy: 2.5502224107734177
Energy: 2.224849228120849
Energy: 2.550222410774614
Energy: 2.2023098081179575
Energy: 2.275307607565702
Energy: 2.2272173194027403
Energy: 2.2753076075668983
Energy: 2.2203540221292823
Energy: 2.4000846954733164
Energy: 2.73679394639293
Energy: 2.4000846954733164
Energy: 2.551350215749212
Energy: 2.63593699161372
Energy: 2.25738225293464
Energy: 2.6359369916149165
Energy: 2.264159843094846
Energy: 2.4325276061452437
Energy: 2.3625446356152757
Energy: 2.4325276061440473

minimum gb energy = 2.2023098081179575 eV
minimum distance =  2.20738732962739 Angstroms
sigma value = 7


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

Energy: 2.3228822962402504
Energy: 2.3173689007178533
Energy: 2.88978746968021
Energy: 2.31736890071447
Energy: 2.691238077121251
Energy: 2.387142512255017
Energy: 2.266022623927371
Energy: 2.387142512263475
Energy: 2.246826961697116
Energy: 2.314924003398303
Energy: 2.2461531817386304
Energy: 2.3149240033999945
Energy: 2.2495312648073
Energy: 2.412983251425274
Energy: 2.266475659707518
Energy: 2.412983251423582
Energy: 2.247638932037499
Energy: 2.399311595476571
Energy: 2.257267986203865
Energy: 2.3993115954774167
Energy: 2.2458115846415545
Energy: 2.267822680767398
Energy: 2.5648569220469093
Energy: 2.267822680767398
Energy: 2.485694197169601
Energy: 2.4967989958870116
Energy: 2.2564770421454203
Energy: 2.4967989958853205
Energy: 2.2455436584808517
Energy: 2.3116301143127655
Energy: 2.6029248206141133
Energy: 2.3116301143186857
Energy: 2.52759968960754
Energy: 2.3869618406649296
Energy: 2.267347228330605
Energy: 2.386961840670004
Energy: 2.2458278578118134
Energy: 2.418836145120223
Energy: 2.447197858392847
Energy: 2.4188361451143026
Energy: 2.2572925946157567
Energy: 2.5750739476500053
Energy: 2.255970467836243
Energy: 2.5750739476440847
Energy: 2.27667489172426
Energy: 2.400391153660416
Energy: 2.2518480308422064
Energy: 2.400391153655341
Energy: 2.266115842393048
Energy: 2.277680001639926
Energy: 2.2566132468880564
Energy: 2.277680001640772
Energy: 2.266421778352783
Energy: 2.3029139576493614
Energy: 2.2511768808180728
Energy: 2.302913957652744
Energy: 2.2436917997237456
Energy: 2.546407154606275
Energy: 2.477528811108883
Energy: 2.546407154608812
Energy: 2.6594494190802846
Energy: 2.302125147563776
Energy: 2.2673350751734906
Energy: 2.302125147555318
Energy: 2.24362704301808
Energy: 2.3979236625777434
Energy: 2.3185051183391923
Energy: 2.3979236625701312
Energy: 2.257451201409672
Energy: 2.320378546400013
Energy: 2.251528565394097
Energy: 2.320378546400013
Energy: 2.244363841501666
Energy: 2.5767526384125943
Energy: 2.256510464446393
Energy: 2.5767526384058277
Energy: 2.245693445421713
Energy: 2.3984147760106063
Energy: 2.251940361425251
Energy: 2.398414776009761
Energy: 2.25638300335684
Energy: 2.57485097740447
Energy: 2.2677739543277804
Energy: 2.5748509774086985
Energy: 2.245746184627192
Energy: 2.3125216919081297
Energy: 2.452908038774165
Energy: 2.3125216919039007
Energy: 2.62640063473663
Energy: 2.386875928728022
Energy: 2.255640965449979
Energy: 2.386875928725485
Energy: 2.3197744165629373
Energy: 2.309491028945814
Energy: 2.5648593695973334
Energy: 2.3094910289525807
Energy: 2.2845578454964985
Energy: 2.398634991675115
Energy: 2.256812897721597
Energy: 2.3986349916700394
Energy: 2.250084366267377
Energy: 2.568843511097145
Energy: 2.24743093668981
Energy: 2.5688435110861496
Energy: 2.2472499247913515
Energy: 2.4217266980047474
Energy: 2.4333993332393233
Energy: 2.421726698010668
Energy: 2.249645643443234
Energy: 2.396753704999991
Energy: 2.2663479531841175
Energy: 2.3967537049940706
Energy: 2.246056767207814
Energy: 2.3176828669892404
Energy: 2.443195915834492
Energy: 2.317682866991739
Energy: 2.3378252291266555
Energy: 2.293841017349738
Energy: 2.2658612606394564
Energy: 2.2938410173480466
Energy: 2.2462068885017246
Energy: 2.3176853404967166
Energy: 2.373934370621333
Energy: 2.3176853404967166

minimum gb energy = 2.24362704301808 eV
minimum distance =  2.1949150291296 Angstroms
sigma value = 29


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

Energy: 2.2369590084638995
Energy: 2.1982438072138346
Energy: 2.8097645488540453
Energy: 2.1982438072143906
Energy: 2.181633934493225
Energy: 2.2295759166620153
Energy: 2.230574929803406
Energy: 2.229575916664339
Energy: 2.1701352347465055
Energy: 2.3711153696866725
Energy: 2.1771879825979235
Energy: 2.3711153696866725
Energy: 2.232492119488242
Energy: 2.176499149496831
Energy: 2.231343547635683
Energy: 2.1764991494910704
Energy: 2.2372343767150022
Energy: 2.3211960482512146
Energy: 2.1699533372032564
Energy: 2.3211960482520984
Energy: 2.178703986860665
Energy: 2.376473150192011
Energy: 2.1784442390279453
Energy: 2.3764731501914222
Energy: 2.169975745258454
Energy: 2.321189243362743
Energy: 2.2370873832968496
Energy: 2.3211892433638885
Energy: 2.2312193459521996
Energy: 2.496610401859512
Energy: 2.2326002884159073
Energy: 2.4966104018592175
Energy: 2.176842778891616
Energy: 2.371101613388891
Energy: 2.170137905767931
Energy: 2.371101613389774

minimum gb energy = 2.1699533372032564 eV
minimum distance =  2.22743097955836 Angstroms
sigma value = 5


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

Energy: 2.096964733274288
Energy: 2.135567422600813
Energy: 2.4756668065687415
Energy: 2.1355674225968184
Energy: 2.4314385299339984
Energy: 2.224662989229681
Energy: 2.0242202223634034
Energy: 2.2246629892288823
Energy: 2.0235631772996334
Energy: 2.112478726076092
Energy: 2.45354974380601
Energy: 2.112478726076092
Energy: 2.0149524189804575
Energy: 2.20624155193885
Energy: 2.053558156619334
Energy: 2.20624155193885
Energy: 2.0548918868239343
Energy: 2.218512798616069
Energy: 2.458084523633983
Energy: 2.2185127986152695
Energy: 2.105387289872237
Energy: 2.140044823934481
Energy: 2.0245661383261906
Energy: 2.1400448239360794
Energy: 2.0240317568508264
Energy: 2.2191704009830837
Energy: 2.0251104587117563
Energy: 2.2191704009870787
Energy: 2.024364512128544
Energy: 2.142918908670658
Energy: 2.025204695307705
Energy: 2.1429189086691323
Energy: 2.0553351032068448
Energy: 2.2193721715471306
Energy: 2.0106582485881295
Energy: 2.2193721715503267
Energy: 2.053899483570603
Energy: 2.2211940265862653
Energy: 2.011637206128299
Energy: 2.221194026583868
Energy: 2.014624206174793
Energy: 2.2073700893048933
Energy: 2.0238835464131304
Energy: 2.2073700893016976
Energy: 2.023757027534034
Energy: 2.245385566992291
Energy: 2.145569113465548
Energy: 2.2453855669930896
Energy: 2.1056293830651875
Energy: 2.1371426856188287
Energy: 2.1434273420515173
Energy: 2.1371426856212263
Energy: 2.054218147938096
Energy: 2.135840907701376
Energy: 2.0992149649876564
Energy: 2.13584090769818
Energy: 2.217176890807434
Energy: 2.204471044174934
Energy: 2.023384366583611
Energy: 2.2044710441757323
Energy: 2.053472877061863
Energy: 2.1123421713464157
Energy: 2.0595240299764637
Energy: 2.1123421713456167
Energy: 2.4344911548527786
Energy: 2.091745314636659
Energy: 2.02502538893291
Energy: 2.0917453146374583
Energy: 2.0540659003447392
Energy: 2.136700067305555
Energy: 2.181947593020065
Energy: 2.1367000673039573
Energy: 2.0399260472263068
Energy: 2.222318608002875
Energy: 2.0238270776980665
Energy: 2.22231860799888
Energy: 2.024074538228035
Energy: 2.241706773493307
Energy: 2.0938918907606245
Energy: 2.2417067734925076
Energy: 2.0131348603309176
Energy: 2.203578771982446
Energy: 2.053781985644013
Energy: 2.2035787719816473
Energy: 2.0551262971415016
Energy: 2.218633770162745
Energy: 2.0556001855454937
Energy: 2.2186337701619463
Energy: 2.0257235586879174
Energy: 2.1399938837031907
Energy: 2.012932909062282
Energy: 2.1399938837023917
Energy: 2.165226816149158
Energy: 2.13804344357298
Energy: 2.0241743838894872
Energy: 2.138043443572181
Energy: 2.151311406625396
Energy: 2.1137283509018223
Energy: 2.027026268696028
Energy: 2.11372835090342
Energy: 2.1076556369579658
Energy: 2.1364166229518706
Energy: 2.054528357924127
Energy: 2.136416622949474
Energy: 2.0387688764345024
Energy: 2.1882327223536366
Energy: 2.0836650326095274
Energy: 2.1882327223552345
Energy: 2.1085228916647494
Energy: 2.2099877711566513
Energy: 2.053278074294087
Energy: 2.2099877711550535
Energy: 2.0239346198502832
Energy: 2.0652546826468967
Energy: 2.4484425174287185
Energy: 2.0652546826445
Energy: 2.344314340486042
Energy: 2.1363979114076233
Energy: 2.0539426604414546
Energy: 2.136397911408422
Energy: 2.0391148482829244
Energy: 2.079388264008354
Energy: 2.343660115695531
Energy: 2.079388264009952
Energy: 2.4315110293062365
Energy: 2.136611406997526
Energy: 2.0239650414436485
Energy: 2.136611407000722
Energy: 2.053529010285673
Energy: 2.2080987513841737
Energy: 2.014853796551111
Energy: 2.2080987513833747

minimum gb energy = 2.0106582485881295 eV
minimum distance =  2.2144935603209 Angstroms
sigma value = 1


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

Energy: 2.0448262902048673
Energy: 2.039899263393829
Energy: 2.4043237122259233
Energy: 2.0398992633927238
Energy: 2.0227114910439323
Energy: 2.0583502913528955
Energy: 1.941027559558486
Energy: 2.058350291351791
Energy: 1.8963033434157732
Energy: 2.039080981768587
Energy: 2.3449417874609955
Energy: 2.0390809817707964
Energy: 1.975007052183569
Energy: 2.135915457503827
Energy: 1.9442437175522334
Energy: 2.135915457506037
Energy: 1.8972631053417206
Energy: 2.215141115234874
Energy: 2.491604146849448
Energy: 2.2151411152293505
Energy: 1.8983046983545322
Energy: 2.0491108851393833
Energy: 1.9445478122483801
Energy: 2.0491108851426976
Energy: 1.8975627686534442
Energy: 2.215656203388702
Energy: 1.9935378338276444
Energy: 2.215656203389807
Energy: 1.898228116064413
Energy: 2.050966566700336
Energy: 2.007511272676158
Energy: 2.050966566697022
Energy: 2.040314373015097
Energy: 2.0305616471764867
Energy: 2.0087417231126756
Energy: 2.0305616471775916
Energy: 2.040254504417623
Energy: 2.0306031628598826
Energy: 1.9924326896508835
Energy: 2.030603162857673
Energy: 1.898229935035006
Energy: 2.050854305825359
Energy: 2.0084760596195324
Energy: 2.0508543058220448
Energy: 1.8975543191090907
Energy: 2.2153600428027045
Energy: 1.9704802838337154
Energy: 2.2153600428027045
Energy: 1.8983185722266605
Energy: 2.04889886947476
Energy: 1.9445554295521312
Energy: 2.0488988694725503
Energy: 1.897192795030333
Energy: 2.2150733655799115
Energy: 2.2795798936910856
Energy: 2.2150733655799115
Energy: 1.9749171311103728
Energy: 2.136175201881453
Energy: 1.9445234026292826
Energy: 2.1361752018847673
Energy: 1.8962995834046548
Energy: 2.0391360998000443
Energy: 2.0236032802851347
Energy: 2.0391360998000443
Energy: 2.02288987103374
Energy: 2.0584686769773772
Energy: 1.9410558149644588
Energy: 2.0584686769784826
Energy: 2.044826290194925
Energy: 2.039899263393829
Energy: 2.3836059168333725
Energy: 2.0398992633927238
Energy: 2.022711491061607
Energy: 2.058350291351791
Energy: 1.941027559558486
Energy: 2.058350291351791
Energy: 1.8963033434135639
Energy: 2.039080981768587
Energy: 2.7950955294983166
Energy: 2.0390809817707964
Energy: 1.975007052183569
Energy: 2.135915457503827
Energy: 1.9442437175511285
Energy: 2.1359154575049324
Energy: 1.8972631053417206
Energy: 2.215141115234874
Energy: 2.4707580487245435
Energy: 2.2151411152293505
Energy: 1.898304698355637
Energy: 2.0491108851393833
Energy: 1.944547812245066
Energy: 2.0491108851426976
Energy: 1.8975627686556538
Energy: 2.215656203388702
Energy: 1.9704400204339485
Energy: 2.215656203388702

minimum gb energy = 1.8962995834046548 eV
minimum distance =  2.2173558129865 Angstroms
sigma value = 17


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

Energy: 1.9891316232850058
Energy: 1.984296792784219
Energy: 2.7487200902246895
Energy: 1.9842967927835362
Energy: 2.2804583660531264
Energy: 1.9542366469359143
Energy: 1.8940141575973892
Energy: 1.954236646887498
Energy: 1.896534947615531
Energy: 1.9584581085271096
Energy: 2.516632892555498
Energy: 1.9584581085271096
Energy: 1.9523908283883356
Energy: 1.8908663770044016
Energy: 1.8931989561401488
Energy: 1.8908663769853458
Energy: 1.8755906020726374
Energy: 2.0996441237463026
Energy: 2.2673100010833664
Energy: 2.099644123747668
Energy: 1.8645144756380934
Energy: 2.3207539447691072
Energy: 1.9239891732824281
Energy: 2.320753944770473
Energy: 1.8968109581366248
Energy: 2.068540205011675
Energy: 1.9679256036231727
Energy: 2.0685402050164536
Energy: 1.8733090945014936
Energy: 2.3460629151579195
Energy: 1.8733244723847196
Energy: 2.346062915156554
Energy: 1.979549382151746
Energy: 1.940498325829103
Energy: 1.9344484518737681
Energy: 1.9404983258270545
Energy: 1.985045758036882
Energy: 2.0311048153532862
Energy: 1.89517318818217
Energy: 2.0311048153546514
Energy: 1.8974609159880151
Energy: 1.9916268112815296
Energy: 1.8733648731899448
Energy: 1.9916268112794813
Energy: 1.897519041169963
Energy: 2.0473460981759186
Energy: 1.874989843955771
Energy: 2.0473460981711393
Energy: 1.8637925500221255
Energy: 2.3233197882764856
Energy: 1.8933789176043465
Energy: 2.3233197882764856
Energy: 1.8757196558933438
Energy: 2.098291347994838
Energy: 1.9958438430217496
Energy: 2.098291347994838
Energy: 1.8739727341976937
Energy: 2.307277650502773
Energy: 1.9981478306148155
Energy: 2.307277650504138
Energy: 1.8966314377663513
Energy: 1.9597840398707713
Energy: 2.2584092685023167
Energy: 1.9597840398707713
Energy: 1.9201838078559026
Energy: 2.308896442109362
Energy: 1.8929845805508498
Energy: 2.3088964421079963
Energy: 1.8918367017748743
Energy: 1.9851605322791392
Energy: 1.9065831472613815
Energy: 1.9851605322770909
Energy: 2.2598260659044014
Energy: 2.0536144257748603
Energy: 1.8950794033695186
Energy: 2.0536144257734947
Energy: 1.9224076832566344
Energy: 1.9595830338735207
Energy: 1.9495741701164244
Energy: 1.9595830338735207
Energy: 2.259764869877258
Energy: 1.9377780533428213
Energy: 1.8928733251723209
Energy: 1.9377780533428213
Energy: 1.8926818449425418
Energy: 2.0432949370598017
Energy: 1.8976674832516758
Energy: 2.043294937058436
Energy: 1.9178102016794034
Energy: 1.917320038276848
Energy: 1.9228980624800347
Energy: 1.917320038257047
Energy: 1.896227032648827
Energy: 2.0692814287295236
Energy: 2.280404030636605
Energy: 2.0692814287233787
Energy: 1.9359590333753613
Energy: 1.9859120012618956
Energy: 1.892469919025055
Energy: 1.9859120012605305
Energy: 1.89258789180137
Energy: 2.101900136810605
Energy: 1.9203154411716836
Energy: 2.101900136815385
Energy: 2.2344269302443562
Energy: 2.015266755517587
Energy: 1.8957879306471739
Energy: 2.01526675551827
Energy: 2.0033232606669698
Energy: 1.9076932997134706
Energy: 1.8737499032866907
Energy: 1.9076932997100564
Energy: 2.0186356476215646
Energy: 2.098176936266257
Energy: 1.8750016972163077
Energy: 2.0981769362676226
Energy: 1.8931514027746708
Energy: 2.018764365203532
Energy: 1.9432505600524106
Energy: 2.018764365200118
Energy: 1.8756358295584823
Energy: 2.0978661707800024
Energy: 1.8972329430513375
Energy: 2.097866170780685
Energy: 1.8731837173629124
Energy: 2.3004548647329925
Energy: 1.8961380096225129
Energy: 2.3004548647329925
Energy: 1.8958776730009714
Energy: 2.031396813741056
Energy: 2.2929736190280066
Energy: 2.031396813736276
Energy: 1.9445413297002545
Energy: 1.9400178203159255
Energy: 1.9266866643853333
Energy: 1.9400178203145597
Energy: 1.8739576173847974
Energy: 1.9870381657846337
Energy: 1.931792526927054
Energy: 1.9870381657846337
Energy: 1.96553840547521
Energy: 2.070573708906344
Energy: 1.896158177904575
Energy: 2.070573708908392
Energy: 1.922924271261217
Energy: 2.322513283420488
Energy: 1.8642927836113166
Energy: 2.322513283415025
Energy: 2.2600977736440293
Energy: 2.1014381135019864
Energy: 1.8925223192413263
Energy: 2.1014381135047175

minimum gb energy = 1.8637925500221255 eV
minimum distance =  2.20811911249427 Angstroms
sigma value = 89


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

Energy: 1.763924364394747
Energy: 1.760685193536596
Energy: 2.596842241514795
Energy: 1.760685193536596
Energy: 1.760485857561988
Energy: 1.8240565943790747
Energy: 1.7658612054516178
Energy: 1.8240565943790747
Energy: 1.7720091778891347
Energy: 2.06760347074282
Energy: 2.702195449964908
Energy: 2.067603470741033
Energy: 1.7350196438907357
Energy: 1.8240050858173256
Energy: 1.7656984465989456
Energy: 1.8240050858155392
Energy: 1.7631809450126532
Energy: 1.9260477592016247
Energy: 1.7637791901239526
Energy: 1.9260477592016247
Energy: 1.7602725623137248
Energy: 1.7629748989261143
Energy: 1.769184247855021
Energy: 1.7629748989261143
Energy: 1.7722437504808042
Energy: 2.0667930088316635
Energy: 1.7650970069557175
Energy: 2.0667930088370237
Energy: 1.7254722859335418
Energy: 2.067952729557373
Energy: 1.7605121524436285
Energy: 2.0679527295252567
Energy: 1.7634579989116652
Energy: 1.926354847630732
Energy: 1.734604753104701
Energy: 1.926354847630732
Energy: 1.833585986629638
Energy: 1.918292467242989
Energy: 1.7598131281525373
Energy: 1.9182924672037258
Energy: 1.760035228743421
Energy: 1.8262564398208416
Energy: 1.7641472827497877
Energy: 1.826256439819055
Energy: 1.7679620992225238
Energy: 2.065471954002087
Energy: 1.7615672972202678
Energy: 2.065471954000301
Energy: 1.7638983119966296
Energy: 1.768812401644331
Energy: 1.722876887872269
Energy: 1.768812401644331
Energy: 1.759893239843714
Energy: 1.9227887819887104
Energy: 1.759872683077444
Energy: 1.922788781990497
Energy: 1.7351175062993203
Energy: 1.7687983739965776
Energy: 1.763910176948491
Energy: 1.7687983739965776

minimum gb energy = 1.722876887872269 eV
minimum distance =  2.23299183148139 Angstroms
sigma value = 13


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

Energy: 1.6916715640084579
Energy: 1.623594374596439
Energy: 2.526998741283907
Energy: 1.6235943745934436
Energy: 2.0362294805258117
Energy: 1.6652813762866832
Energy: 1.5916079420631117
Energy: 1.665281376284437
Energy: 1.6255003946111297
Energy: 1.6234586954214383
Energy: 1.9588029953594108
Energy: 1.6234586954154477
Energy: 1.623705509136233
Energy: 1.6652660974536604
Energy: 1.5911766678888735
Energy: 1.665266097452163
Energy: 1.6257948017268065
Energy: 1.7465406011979592
Energy: 1.6272294011530415
Energy: 1.7465406012017033
Energy: 1.5957416947536465
Energy: 1.6661796712569372
Energy: 1.64930383195693
Energy: 1.6661796712524446
Energy: 1.6259877562869707
Energy: 1.7470145807496145
Energy: 2.006070001125136
Energy: 1.7470145807563537
Energy: 1.576027785128608
Energy: 1.6653416903693612
Energy: 1.6494520414755864
Energy: 1.665341690361873
Energy: 1.6261285629294535
Energy: 1.747572872933673
Energy: 2.1802792876600146
Energy: 1.7475728729291804
Energy: 2.054686120683139
Energy: 1.7850484988993711
Energy: 1.5911258552580865
Energy: 1.7850484989023663
Energy: 1.6259823458662679
Energy: 1.7818842277043272
Energy: 1.5998281042035398
Energy: 1.7818842277035785
Energy: 1.661725270749069
Energy: 1.7856103752511834
Energy: 1.5921115319965327
Energy: 1.7856103752564252
Energy: 1.7034886915367693
Energy: 1.6543007950699793
Energy: 1.5996205747303036
Energy: 1.6543007950654862
Energy: 2.3777342560658385
Energy: 1.7847729812555304
Energy: 1.5925722751021676
Energy: 1.784772981254033
Energy: 1.6261491466468605
Energy: 1.6231189951167784
Energy: 1.5971865102521543
Energy: 1.6231189951167784
Energy: 1.6171513315836192
Energy: 1.7848725091472277
Energy: 1.5933148945935791
Energy: 1.7848725091412374
Energy: 1.615597065124834
Energy: 1.6222687371290767
Energy: 1.594054744756022
Energy: 1.6222687371379945
Energy: 1.6167904802398092
Energy: 1.7470318015495365
Energy: 1.6693930462309536
Energy: 1.7470318015562758
Energy: 1.6161077576452447
Energy: 1.6581465196968364
Energy: 1.6699420635754156
Energy: 1.6581465196923433
Energy: 1.6162096422278873
Energy: 1.6583238592673741
Energy: 1.6695532078251445
Energy: 1.6583238592688716
Energy: 1.6168275043150602
Energy: 1.746820623688739
Energy: 1.6698473545344676
Energy: 1.7468206236842463
Energy: 1.6155993842157024
Energy: 1.6219903842034629
Energy: 1.5941403668199106
Energy: 1.6219903842012162
Energy: 1.6171411671273392
Energy: 1.7849452260053462
Energy: 1.5929324294258853
Energy: 1.784945226013583
Energy: 1.6261593390951508
Energy: 1.6229406252317338
Energy: 1.5999092402380564
Energy: 1.622940625230236
Energy: 2.377623511542797
Energy: 1.7847925012131087
Energy: 1.5926993475391151
Energy: 1.7847925012176018
Energy: 1.702979599269259
Energy: 1.6546201751172631
Energy: 1.5998125186017562
Energy: 1.65462017511277
Energy: 1.6612380422601714
Energy: 1.785353253378233
Energy: 1.5920475061143735
Energy: 1.7853532533887164
Energy: 1.6259960411327343
Energy: 1.7816422991617005
Energy: 1.6000561289781048
Energy: 1.7816422991661933
Energy: 2.054584313561007
Energy: 1.7852404015202752
Energy: 1.591105615737293
Energy: 1.7852404015187775
Energy: 1.625864403385705
Energy: 1.7474108543536406
Energy: 2.3543502993586496
Energy: 1.7474108543573845
Energy: 1.576004262299626
Energy: 1.665099152369156
Energy: 1.6496627131412887
Energy: 1.665099152369156
Energy: 1.6258906840666507
Energy: 1.7471010883667173
Energy: 2.0061934590649715
Energy: 1.7471010883801956
Energy: 1.5955214654964867
Energy: 1.6661300937851786
Energy: 1.6492279340022664
Energy: 1.6661300937866763
Energy: 1.625809453590388
Energy: 1.7465589459001614
Energy: 1.6247479129758815
Energy: 1.7465589458866828
Energy: 1.6234490049196166
Energy: 1.6652329976793074
Energy: 1.5909425801205563
Energy: 1.6652329976599072

minimum gb energy = 1.576004262299626 eV
minimum distance =  2.24547798530541 Angstroms
sigma value = 37


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

Energy: 1.5491416514454572
Energy: 1.545752308593378
Energy: 1.460636076397619
Energy: 1.5457523085946663
Energy: 1.5086944523959471
Energy: 1.5452868079815194
Energy: 1.4525016322338042
Energy: 1.5452868079815194
Energy: 1.4508061883914496
Energy: 1.7347543108463563
Energy: 1.4319173231174662
Energy: 1.7347543108463563
Energy: 1.4496346815547472
Energy: 1.5455443892803002
Energy: 1.4530658503902694
Energy: 1.5455443892803002
Energy: 1.455907513683071
Energy: 1.5448687735243294
Energy: 1.4602157752781093
Energy: 1.544868773523041
Energy: 1.4288340086153095
Energy: 1.545262046465306
Energy: 1.4538463888154771
Energy: 1.545262046465306
Energy: 1.4508361255800168
Energy: 1.6160892135700813
Energy: 1.5079383102565704
Energy: 1.6160892135700813
Energy: 1.4492373840491604
Energy: 1.54696848153527
Energy: 1.5465640365961568
Energy: 1.5469684815365583
Energy: 1.4562247386612164
Energy: 1.5445768477922495
Energy: 1.8304141618148284
Energy: 1.5445768477935378
Energy: 2.234900000782827
Energy: 1.7210494576436728
Energy: 1.4540300757351585
Energy: 1.7210494576436728
Energy: 1.4511365725569725
Energy: 1.615993529618487
Energy: 1.4498651660404707
Energy: 1.615993529618487
Energy: 2.2716918306297886
Energy: 1.5461755672748605
Energy: 1.4532629023331771
Energy: 1.5461755672748605
Energy: 1.448633915788412
Energy: 1.5446599373424525
Energy: 1.4282853023851925
Energy: 1.544659937341164
Energy: 2.111079439094332
Energy: 1.6154007209424437
Energy: 1.4530210598365514
Energy: 1.6154007209437322
Energy: 1.5448371175085773
Energy: 1.6165245080440929
Energy: 1.4497715879834687
Energy: 1.6165245080466697
Energy: 1.5444603251854683
Energy: 1.54581340806382
Energy: 1.4600275739317656
Energy: 1.5458134080625319
Energy: 1.4486536634579452
Energy: 1.719682497991837
Energy: 1.4250701551044382
Energy: 1.719682497991837
Energy: 1.4531688521295427
Energy: 1.6173595681443549
Energy: 1.4530246422016044
Energy: 1.6173595681443549
Energy: 1.4516744261316294
Energy: 1.549853577853549
Energy: 1.448559013849428
Energy: 1.5498535778561255
Energy: 1.4565290394828738
Energy: 1.5458493414815484
Energy: 1.456143400201875
Energy: 1.545849341482837

minimum gb energy = 1.4250701551044382 eV
minimum distance =  2.25101670485435 Angstroms
sigma value = 25


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

Energy: 1.6922220426110592
Energy: 1.318789746648596
Energy: 2.24215023309873
Energy: 1.3187897466546317
Energy: 2.0757241332083893
Energy: 1.3311077358679482
Energy: 1.301824524308698
Energy: 1.331107735871972
Energy: 1.6132346930405612
Energy: 1.3171251501899706
Energy: 1.2510367086116385
Energy: 1.3171251501869528
Energy: 1.5582252044188565
Energy: 1.3569157188055714
Energy: 1.3016464218723027
Energy: 1.3569157188055714
Energy: 1.3216143467123398
Energy: 1.3325637922253142
Energy: 1.5232727455198845
Energy: 1.3325637922253142
Energy: 1.5257885010446939
Energy: 1.3161604570615404
Energy: 1.324402711649879
Energy: 1.3161604570585224
Energy: 1.2960638440178
Energy: 1.2928022322248998
Energy: 1.5542177178422176
Energy: 1.2928022322228878
Energy: 1.2453954675803796
Energy: 1.374823658108673
Energy: 1.5795553312665784
Energy: 1.3748236581066609
Energy: 1.3008721492638924
Energy: 1.333455463038357
Energy: 2.341604740003119
Energy: 1.333455463035339
Energy: 1.244837993489201
Energy: 1.2938662275696071
Energy: 1.3779894684989065
Energy: 1.2938662275696071
Energy: 1.3045723218755252
Energy: 1.2931185244853072
Energy: 2.335491358243261
Energy: 1.2931185244822891
Energy: 1.8996162635948703
Energy: 1.3735571054915008
Energy: 1.5797385454796764
Energy: 1.3735571054884828
Energy: 1.3038450488493838
Energy: 1.3564869780622233
Energy: 2.3222416074843872
Energy: 1.3564869780581994
Energy: 1.9340266617255033
Energy: 1.2928495054616131
Energy: 1.324697768410318
Energy: 1.2928495054616131
Energy: 1.317465737497869
Energy: 1.2939398392675259
Energy: 1.5339250947862422
Energy: 1.293939839274568
Energy: 1.5528093961868572
Energy: 1.51349651422825
Energy: 1.2956242441783463
Energy: 1.513496514229256
Energy: 1.5780842006280011
Energy: 1.374391738031412
Energy: 1.25055448782606
Energy: 1.374391738031412
Energy: 2.127350565029452
Energy: 1.3320993955230032
Energy: 1.3021286822561213
Energy: 1.3320993955220428
Energy: 1.6602097935141822
Energy: 1.3150996334196865
Energy: 1.2495317750626402
Energy: 1.3150996334186806
Energy: 2.57873814497316
Energy: 1.5190791513419963
Energy: 1.2957073463974835
Energy: 1.519079151347026
Energy: 1.578138000100881
Energy: 1.3732686278634523
Energy: 1.232278303547533
Energy: 1.3732686278654642
Energy: 1.5730503386692176
Energy: 1.356338390760215
Energy: 1.3068950433012054
Energy: 1.356338390761221
Energy: 1.3175008592530526
Energy: 1.2926913571815575
Energy: 1.9424719229499547
Energy: 1.2926913571845755
Energy: 1.5274858815778645
Energy: 1.5189934519195367
Energy: 1.3199896631345123
Energy: 1.5189934519225545
Energy: 1.3003479504025544
Energy: 1.5136015783078698
Energy: 2.183086257430979
Energy: 1.5136015783078698
Energy: 1.2609979306530321
Energy: 1.3741232290273246
Energy: 1.579186505484161
Energy: 1.3741232290293368

minimum gb energy = 1.232278303547533 eV
minimum distance =  2.25484783992261 Angstroms
sigma value = 41


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

Energy: 2.161960305779742
Energy: 1.1758822386639014
Energy: 2.1217298690675883
Energy: 1.1758822386639014
Energy: 2.0418553641499195
Energy: 1.1492997478234064
Energy: 1.1316746267659756
Energy: 1.1492997478217568
Energy: 1.1755220565080442
Energy: 1.1276265229264562
Energy: 1.093533546138236
Energy: 1.1276265229157347
Energy: 1.5796006848452795
Energy: 1.15099247236868
Energy: 1.1318594098455528
Energy: 1.1509924723662057
Energy: 1.1267076635157414
Energy: 1.2061684019745706
Energy: 1.1024522779299382
Energy: 1.2061684019745706
Energy: 1.1163419945165685
Energy: 1.1509964126288819
Energy: 1.131535841782913
Energy: 1.1509964126297065
Energy: 1.1306438208152187
Energy: 1.149726739874828
Energy: 1.117264216696119
Energy: 1.1497267398731785
Energy: 1.1034689977617338
Energy: 1.1757414614447363
Energy: 1.1275881488587371
Energy: 1.175741461446386
Energy: 1.1338871425521324
Energy: 1.1756693202524433
Energy: 1.8052996746554923
Energy: 1.175669320249969
Energy: 1.0977696820740872
Energy: 1.128537913033517
Energy: 1.1766401996593627
Energy: 1.1285379130302182
Energy: 1.1306686845095555
Energy: 1.1497017876212652
Energy: 2.4317106858126816
Energy: 1.1497017876220899
Energy: 1.1036183691966548
Energy: 1.176588233608559
Energy: 2.056506630090261
Energy: 1.1765882336102085
Energy: 1.1340774587064002
Energy: 1.1762149952946166
Energy: 2.6296969502054233
Energy: 1.1762149952946166
Energy: 1.651564651891265
Energy: 1.2965640159968952
Energy: 1.1764799380690165
Energy: 1.2965640159952456
Energy: 1.130800907955942
Energy: 1.149921329997629
Energy: 2.019720364026768
Energy: 1.14992132999433
Energy: 1.6661230365702138
Energy: 1.1776830143159744
Energy: 1.1277931189994006
Energy: 1.1776830143159744
Energy: 1.1340082103558555
Energy: 1.1750420525577836
Energy: 1.7892193320314573
Energy: 1.1750420525577836
Energy: 1.6696790626816829
Energy: 1.2968953587295076
Energy: 1.1316555845857905
Energy: 1.2968953587319818
Energy: 1.1307334542431713
Energy: 1.175519676614124
Energy: 1.101365307295822
Energy: 1.1755196766132994
Energy: 1.6924498411620101
Energy: 1.1759836100872405
Energy: 1.1279688623879223
Energy: 1.1759836100897147
Energy: 1.1794164964566936
Energy: 1.17438685701712
Energy: 1.0940386653103675
Energy: 1.17438685701712
Energy: 2.429831299312244
Energy: 1.2050345479405251
Energy: 1.1317724401806455
Energy: 1.2050345479347895
Energy: 2.050643155358
Energy: 1.1742467931000184
Energy: 1.1009141761353616
Energy: 1.1742467931000184
Energy: 2.0573466774179665
Energy: 1.1738106466343665
Energy: 1.1283092435708806
Energy: 1.1738106466310674
Energy: 1.179466720841593
Energy: 1.293419271095358
Energy: 1.095204429368119
Energy: 1.2934192710937085
Energy: 2.0188512758713126
Energy: 1.207280547334183
Energy: 1.1316380849167467
Energy: 1.2072805473391313
Energy: 1.130680464097045
Energy: 1.1749659381863418
Energy: 1.6645598912608117
Energy: 1.1749659381846922
Energy: 1.1376959003722547
Energy: 1.1742616462650943
Energy: 1.128364343774309
Energy: 1.174261646263445
Energy: 1.1342981051357213
Energy: 1.2934752052471967
Energy: 1.6670016924126885
Energy: 1.2934752052471967
Energy: 1.104782518224113
Energy: 1.2380768546466279
Energy: 1.1353009859732515
Energy: 1.238076854649102
Energy: 1.130231162372851
Energy: 1.1746561686545967
Energy: 1.6885183180009269
Energy: 1.1746561686545967
Energy: 1.1030708029759069
Energy: 1.1738976373538064
Energy: 1.184006205272234
Energy: 1.1738976373546308

minimum gb energy = 1.093533546138236 eV
minimum distance =  2.24952075404075 Angstroms
sigma value = 15


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

Energy: 1.9103196516807155
Energy: 1.0434878259295395
Energy: 2.045111816464169
Energy: 1.043487825932334
Energy: 2.153938249506045
Energy: 1.038761015246207
Energy: 1.0410274867946407
Energy: 1.0387610152427138
Energy: 1.0794398293033718
Energy: 1.038088861207255
Energy: 0.9924308049091811
Energy: 1.0380888612086523
Energy: 1.8005018358846987
Energy: 1.0391542224695163
Energy: 1.0410824475146434
Energy: 1.039154222468119
Energy: 1.0373949961429363
Energy: 1.0414032676822151
Energy: 0.9980611822954206
Energy: 1.0414032676843112
Energy: 1.4039274155371755
Energy: 1.0398572820673904
Energy: 1.0409616846499872
Energy: 1.0398572820694865
Energy: 1.040261574325832
Energy: 1.0580557354292135
Energy: 1.0066057583058508
Energy: 1.0580557354278162
Energy: 1.0069346480575516
Energy: 1.0587929644006804
Energy: 1.040965858469245
Energy: 1.0587929644020775
Energy: 1.0431278323068913
Energy: 1.0601642196625745
Energy: 1.6002707995982408
Energy: 1.060164219659081
Energy: 0.9991021329048959
Energy: 1.0402671491803661
Energy: 1.0380433258339243
Energy: 1.0402671491796673
Energy: 1.0403885277051388
Energy: 1.0388552470158328
Energy: 1.8011474681349802
Energy: 1.0388552470172299
Energy: 0.9962293144859253
Energy: 1.0385350264921718
Energy: 1.0801750155145111
Energy: 1.0385350264942679
Energy: 1.042966860157591
Energy: 1.0604489676616708
Energy: 2.3253517455233284
Energy: 1.0604489676616708
Energy: 0.9995647378410011
Energy: 1.0392094499262623
Energy: 1.834370579227021
Energy: 1.0392094499269608
Energy: 1.04040185100041
Energy: 1.038738628086881
Energy: 2.496004056079136
Energy: 1.038738628086881
Energy: 1.4726365944760371
Energy: 1.038568937468167
Energy: 1.080242531373561
Energy: 1.038568937467468
Energy: 1.0430185171138089
Energy: 1.0592939519046332
Energy: 2.138783974903536
Energy: 1.059293951902537
Energy: 1.4827123326543659
Energy: 1.03841605330332
Energy: 1.0386440088765356
Energy: 1.0384160532984292
Energy: 1.0404836278297358
Energy: 1.0385197570219216
Energy: 1.7853173062100334
Energy: 1.038519757019127
Energy: 1.4800687388049907
Energy: 1.0394639095986897
Energy: 1.0409080386129004
Energy: 1.039463909602882
Energy: 1.0429342704487234
Energy: 1.0798225202895193
Energy: 1.3902321664742412
Energy: 1.0798225202846286
Energy: 1.498025259977942
Energy: 1.05829484825854
Energy: 1.0454984678215555
Energy: 1.0582948482578414
Energy: 1.0404052769821917
Energy: 1.039329141722041
Energy: 0.9952093579017692
Energy: 1.0393291417234385
Energy: 1.8024469031964219
Energy: 1.0398747481362867
Energy: 1.041158600741069
Energy: 1.0398747481397799
Energy: 1.08210350636969
Energy: 1.0799427034022513
Energy: 0.9915240258426193
Energy: 1.0799427034050462
Energy: 2.166202658001732
Energy: 1.0581322177567019
Energy: 1.0456111119703366
Energy: 1.0581322177546058
Energy: 1.8336516335182271
Energy: 1.0385000357262348
Energy: 0.9956244660248756
Energy: 1.0385000357255363
Energy: 2.4925413055857892
Energy: 1.0391428519087913
Energy: 1.041123860541327
Energy: 1.039142851911586
Energy: 1.081977246265027
Energy: 1.0783531463099743
Energy: 0.9922931103656445
Energy: 1.0783531463134677
Energy: 1.8099916907813185
Energy: 1.0582467828339883
Energy: 1.0456799071563148
Energy: 1.0582467828297963
Energy: 1.0405642295072073
Energy: 1.0373237227526453
Energy: 1.479778821509697
Energy: 1.03732372275544
Energy: 1.7854307153976325
Energy: 1.0382075196281508
Energy: 1.0409887273431175
Energy: 1.038207519630247
Energy: 1.0429200235140477
Energy: 1.0783690561407082
Energy: 1.4842604684897427
Energy: 1.0783690561407082
Energy: 1.0123950695155277
Energy: 1.0795444507021592
Energy: 1.0456502563351693
Energy: 1.0795444507021592
Energy: 1.0115903878929438
Energy: 1.037547323945392
Energy: 1.5030640136087587
Energy: 1.0375473239446937
Energy: 0.9923380468115823
Energy: 1.0386706881664656
Energy: 1.043223057543507
Energy: 1.0386706881762469
Energy: 1.043145090952204
Energy: 1.1778264565001757
Energy: 2.2178788863388
Energy: 1.1778264564987784

minimum gb energy = 0.9915240258426193 eV
minimum distance =  2.24928972962257 Angstroms
sigma value = 85


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

Energy: 1.7575241467504745
Energy: 1.0127078126123104
Energy: 1.91810297118859
Energy: 1.0127078126129163
Energy: 2.243147098398802
Energy: 1.00796540371842
Energy: 0.952894276299497
Energy: 1.007965403719632
Energy: 1.706543144179232
Energy: 1.0081700566370668
Energy: 0.8721847141574406
Energy: 1.0081700566364606
Energy: 1.9331170385687193
Energy: 1.0079658252692336
Energy: 0.9528932029928429
Energy: 1.0079658252498704
Energy: 1.007089971870568
Energy: 0.9507583980666655
Energy: 0.3085397631135688
Energy: 0.9507583980678774
Energy: 1.6204002395369628
Energy: 1.0094308272924686
Energy: 0.9527876095463752
Energy: 1.0094308272924686
Energy: 0.9498511319813019
Energy: 1.0410850269123069
Energy: 0.9019172608711922
Energy: 1.0410850269129128
Energy: 1.5690934711759934
Energy: 1.0079014819888643
Energy: 0.9527602091626196
Energy: 1.0079014819900762
Energy: 0.9522267224567388
Energy: 0.979494633629416
Energy: 1.4305856114829993
Energy: 0.9794946336300221
Energy: 1.22333784878776
Energy: 1.0394319124618134
Energy: 0.9504961063381239
Energy: 1.0394319124599956
Energy: 0.9544080674092486
Energy: 1.0073382030786266
Energy: 1.620783226379457
Energy: 1.0073382030774147
Energy: 0.8785367435167526
Energy: 1.0072990588840318
Energy: 1.0078797036193958
Energy: 1.0072990588894852
Energy: 0.9524278229846191
Energy: 0.9774767720873013
Energy: 2.0733284924826285
Energy: 0.9774767720885132
Energy: 0.872161978333953
Energy: 1.0083623319507746
Energy: 1.6475412252812707
Energy: 1.0083623319683472
Energy: 0.9545658956892815
Energy: 1.0078829182674083
Energy: 2.5139071961605053
Energy: 1.0078829182674083
Energy: 0.8784482895928125
Energy: 1.012945256889954
Energy: 1.703969969759434
Energy: 1.012945256889954
Energy: 0.952344123530707
Energy: 0.9775410545873573
Energy: 2.513825998828753
Energy: 0.9775410545879633
Energy: 1.2918280998434273
Energy: 1.0083293905503834
Energy: 1.6475102099075132
Energy: 1.008329390544957
Energy: 0.9544412011039446
Energy: 1.0079806454267524
Energy: 2.202059872113563
Energy: 1.0079806454267524
Energy: 1.3014733665443208
Energy: 1.0133128702018295
Energy: 1.007894195052862
Energy: 1.0133128701836782
Energy: 0.9522125999548224
Energy: 0.9775860033649649
Energy: 2.0370467293371712
Energy: 0.9775860033661492
Energy: 1.3053502066716454
Energy: 1.0081419264041231
Energy: 0.9505912892998879
Energy: 1.008141926402911
Energy: 0.9543949029591294
Energy: 1.0067634401753296
Energy: 1.5689931347722572
Energy: 1.0067634401765415
Energy: 1.330883761811872
Energy: 1.038889963711415
Energy: 0.9528545186153434
Energy: 1.0388899637314115
Energy: 0.9523978482550832
Energy: 1.0066785778230218
Energy: 1.3934776540063498
Energy: 1.0066785778236278
Energy: 1.6220672238914233
Energy: 1.0079053310045991
Energy: 0.9570459866020932
Energy: 1.007905331006417
Energy: 1.0102745788975596
Energy: 1.006542686378383
Energy: 0.874761130756399
Energy: 1.0065426863838367
Energy: 1.920507507570986
Energy: 1.038920133683134
Energy: 0.953140237285729
Energy: 1.0389201336807379
Energy: 1.6529793787865066
Energy: 1.0089408823420156
Energy: 0.8748146195312894
Energy: 1.0089408823432273
Energy: 2.51375488132671
Energy: 1.0078312933165434
Energy: 0.9568379376944357
Energy: 1.0078312933159375
Energy: 1.7078809684559635
Energy: 1.0069164625586526
Energy: 0.874838382185733
Energy: 1.0069164625586526
Energy: 2.2356643312513658
Energy: 1.0387568742912594
Energy: 0.952995195127005
Energy: 1.0387568742900475
Energy: 1.6523057677676345
Energy: 1.0062213662119446
Energy: 0.8731822765755062
Energy: 1.0062213662131565
Energy: 2.2018644890966113
Energy: 1.0082718767499554
Energy: 0.9569790111398726
Energy: 1.0082718767505616
Energy: 1.0102153074727667
Energy: 1.006012346767403
Energy: 1.306684747975041
Energy: 1.0060123467704325
Energy: 1.6018791333939655
Energy: 1.0389991051901544
Energy: 0.9528296731783213
Energy: 1.0389991051907606
Energy: 0.9526383134648561
Energy: 1.0062683508961352
Energy: 1.3032671113753482
Energy: 1.0062683508979533
Energy: 1.5690552952511991
Energy: 1.0063473405544234
Energy: 0.9571230730961227
Energy: 1.0063473405562413
Energy: 0.9546841331120476
Energy: 1.0065985632036003
Energy: 1.3305533044914888
Energy: 1.0065985632042065
Energy: 0.9078253105845926
Energy: 1.0707660299742547
Energy: 0.9549070212818845
Energy: 1.070766029974861
Energy: 0.9513596779525428
Energy: 1.0062338398598525
Energy: 1.9716104822297698
Energy: 1.0062338398604584
Energy: 0.8806664062474381
Energy: 1.0063348808803876
Energy: 1.0106966564455866
Energy: 1.0063348808803876
Energy: 0.9546841063436087
Energy: 1.0067454620423464
Energy: 1.9932925688451453
Energy: 1.0067454620417406

minimum gb energy = 0.3085397631135688 eV
minimum distance =  2.25968082274462 Angstroms
sigma value = 113


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

Energy: 0.01929866411302664
Energy: 0.020397588713788644
Energy: 1.4113267208111482
Energy: 0.020397588713788644
Energy: 1.189338324655436
Energy: 0.37928025417971595
Energy: 0.3787256364827769
Energy: 0.37928025417971595
Energy: 0.01929866411302664
Energy: 0.020397588713788644
Energy: 1.4113267208111482
Energy: 0.020397588713788644
Energy: 1.1893383246545044
Energy: 0.37928025418064765
Energy: 0.3787248664220772
Energy: 0.37928025418064765
Energy: 0.01929866411302664
Energy: 0.020397588713788644
Energy: 1.4113267208070592
Energy: 0.020397588713788644
Energy: 1.1893383246545044
Energy: 0.37928025418018185
Energy: 0.3787248223158926
Energy: 0.37928025418064765

minimum gb energy = 0.01929866411302664 eV
minimum distance =  2.4791692260945 Angstroms
sigma value = 1