Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_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=3.5226424932479863
cohesive_energy=4.240930290808195
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: 0.017296841988314167
Energy: 0.01777890920823028
Energy: 0.34665203858993865
Energy: 0.017778909207606438
Energy: 0.017778909207606438
Energy: 1.8947895524121847
Energy: 0.017778909207606438
Energy: 1.8947895524121847
Energy: 0.34665203858993865
Energy: 0.017778909207606438
Energy: 0.017296841988314167
Energy: 0.01777890920823028
Energy: 0.017778909207606438
Energy: 1.8947895524121847
Energy: 0.01777890920823028
Energy: 1.8947895524121847

minimum gb energy = 0.017296841988314167 eV
minimum distance =  2.3874039234758 Angstroms
sigma value = 1


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

Energy: 1.8910501966751327
Energy: 2.002095546000581
Energy: 1.7838826223481805
Energy: 2.0020955459957746
Energy: 1.8195123238039361
Energy: 1.9900075663648529
Energy: 1.816654143334427
Energy: 1.9900075663656538
Energy: 1.6023787300306678
Energy: 1.9824514251053629
Energy: 1.8128772958954056
Energy: 1.9824514251037606
Energy: 1.7961465842923174
Energy: 2.0155666242533674
Energy: 1.8069614007576171
Energy: 2.0155666242549697
Energy: 1.8006057908259783
Energy: 2.0023803653354806
Energy: 1.794387265038107
Energy: 2.0023803653354806
Energy: 1.7285759617724177
Energy: 1.9363163255528504
Energy: 1.7778070456238788
Energy: 1.9363163255504472
Energy: 1.8197408308370997
Energy: 1.9824710322233838
Energy: 1.730806810300462
Energy: 1.9824710322217816
Energy: 1.6167548806582401
Energy: 2.0024534991203535
Energy: 1.7706387868557723
Energy: 2.0024534991211547
Energy: 1.8066461731573578
Energy: 1.8203681995954875
Energy: 1.7955095902793172
Energy: 1.8203681995970897
Energy: 1.7856387303430665
Energy: 1.9819857408941743
Energy: 1.6047789405217
Energy: 1.9819857408957766
Energy: 1.7957168966878114
Energy: 1.938693660638304
Energy: 1.8070899251065728
Energy: 1.9386936606415084
Energy: 1.7838841992424437
Energy: 2.0023726875401215
Energy: 1.803002495445327
Energy: 2.0023726875401215
Energy: 1.8148230511299208
Energy: 1.982319799347836
Energy: 1.8233022069657632
Energy: 1.9823197993454327
Energy: 1.8141742981453794
Energy: 1.9914660926150596
Energy: 1.800583143373843
Energy: 1.991466092618264
Energy: 1.7879485144975886
Energy: 2.002623371259731
Energy: 1.811657027763399
Energy: 2.0026233712533226
Energy: 1.78789265969035
Energy: 2.0017985806095453
Energy: 1.8117521340039007
Energy: 2.001798580607943
Energy: 1.8129218301842431
Energy: 1.9823916400312342
Energy: 1.6917155054312385
Energy: 1.9823916400320352
Energy: 1.8171661820148428
Energy: 1.98273482263872
Energy: 1.8183525842182031
Energy: 1.98273482263872
Energy: 1.6038224045191607
Energy: 2.0018344577429485
Energy: 1.8298584802405935
Energy: 2.0018344577381417
Energy: 1.8168065467336625
Energy: 1.8184491661071407
Energy: 1.8095237632682637
Energy: 1.8184491661063396
Energy: 1.7809996559909067
Energy: 1.9823694070148854
Energy: 1.6560621609633013
Energy: 1.982369407012482
Energy: 1.807400553174057
Energy: 1.953549167144126
Energy: 1.796386813694718
Energy: 1.9535491671489327
Energy: 1.715607170635158
Energy: 2.0025594603614234
Energy: 1.7089980767641946
Energy: 2.0025594603630252
Energy: 1.7784267672853369
Energy: 1.983546501840833
Energy: 1.7287577299895143
Energy: 1.9835465018400318
Energy: 1.7304248054227784
Energy: 1.9334511814236937
Energy: 1.8197328577939735
Energy: 1.9334511814228925
Energy: 1.79729128497295
Energy: 2.0024715345372748
Energy: 1.6167197370783442
Energy: 2.0024715345412805
Energy: 1.8039453917170611
Energy: 1.99002748283948
Energy: 1.806435520263297
Energy: 1.9900274828354745
Energy: 1.602043538104815
Energy: 1.9822380957658359
Energy: 1.8122945702086124
Energy: 1.9822380957658359
Energy: 1.8157219730455254
Energy: 1.99378898481536
Energy: 1.7973962039660418
Energy: 1.993788984814559
Energy: 1.837947733224876
Energy: 2.0019714513729947
Energy: 1.7850975505312
Energy: 2.0019714513721936
Energy: 1.8313062696338505
Energy: 1.9902753471364885
Energy: 1.8143454212026735
Energy: 1.9902753471364885
Energy: 1.7804498605614139
Energy: 1.9828987189893599
Energy: 1.814884228739654
Energy: 1.982898718990161
Energy: 1.8005434636869684
Energy: 2.0154344158835964
Energy: 1.8107466959732448
Energy: 2.015434415881994

minimum gb energy = 1.602043538104815 eV
minimum distance =  2.20463990318619 Angstroms
sigma value = 1


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

Energy: 2.0297505273213874
Energy: 2.1537382043233713
Energy: 1.9168067136528124
Energy: 2.1537382043178916
Energy: 1.9245802905298413
Energy: 2.079877513629607
Energy: 1.9297376081077027
Energy: 2.079877513635087
Energy: 1.7101079895240587
Energy: 2.1535558704858904
Energy: 1.9304754119728451
Energy: 2.1535558704813234
Energy: 1.9152333378759145
Energy: 2.0552488241877613
Energy: 1.8348629520427981
Energy: 2.055248824191415
Energy: 1.9158388859278617
Energy: 2.1256806543167026
Energy: 1.9060162296093994
Energy: 2.125680654320356
Energy: 1.9439306455494527
Energy: 2.127244286085084
Energy: 1.9067125559158717
Energy: 2.12724428607869
Energy: 1.9159905478480648
Energy: 2.054410358592384
Energy: 1.8348533823777697
Energy: 2.054410358599649
Energy: 1.7100034815618106
Energy: 2.1539854724418084
Energy: 1.90634139898927
Energy: 2.153985472430848
Energy: 1.916853705539509
Energy: 1.9626313174149395
Energy: 1.9298289547480028
Energy: 1.9626313174167662
Energy: 1.9611398812681804
Energy: 2.153984776905951
Energy: 1.7053999418709218
Energy: 2.1539847769077776
Energy: 1.9161296130851562
Energy: 2.1235212356708506
Energy: 1.930165004333755
Energy: 2.1235212356699376
Energy: 1.8145206480150466
Energy: 2.140195545434015
Energy: 1.9303596655484934
Energy: 2.140195545431275
Energy: 1.9534018191061648
Energy: 2.1252292934033736
Energy: 1.9138680701205262
Energy: 2.1252292933988066
Energy: 1.9536486609334438
Energy: 2.125171941257852
Energy: 1.9139103578445493
Energy: 2.125171941258765
Energy: 1.8142256726389472
Energy: 2.1404367517962215
Energy: 1.9304054690237709
Energy: 2.1404367517998333
Energy: 1.9161568668902924
Energy: 2.12373726519351
Energy: 1.9301571672608646
Energy: 2.1237372651925965
Energy: 1.961054422759038
Energy: 2.1540202405573963
Energy: 1.704981097437984
Energy: 2.154020240556483
Energy: 1.9169002920393106
Energy: 1.9627634300717123
Energy: 1.9298211613783225
Energy: 1.9627634300680585
Energy: 1.7100179437060294
Energy: 2.1539821436579243
Energy: 1.9069849702051336
Energy: 2.1539821436652313
Energy: 1.915961812939071
Energy: 2.05443209310124
Energy: 1.8349451655582358
Energy: 2.0544320931030255
Energy: 1.944048644867972
Energy: 2.126952217430665
Energy: 1.9070397482697965
Energy: 2.126952217430665
Energy: 1.9158326802957968
Energy: 2.125972343994974
Energy: 1.9060556230355519
Energy: 2.125972343999541
Energy: 1.9152432835134368
Energy: 2.055361872554673
Energy: 1.834826743998532
Energy: 2.055361872547366
Energy: 1.710028393503273
Energy: 2.153649491548294
Energy: 1.9305252970342854
Energy: 2.153649491545554
Energy: 1.9246304639263525
Energy: 2.0797544704998
Energy: 1.9297007030650069
Energy: 2.0797544704961464
Energy: 2.0297505273195604
Energy: 2.1537382043233713
Energy: 1.9168067136500724
Energy: 2.1537382043178916
Energy: 1.9245802905289278
Energy: 2.0798775136305205
Energy: 1.9297376081095292
Energy: 2.079877513635087
Energy: 1.7101079895240587
Energy: 2.153555870486804
Energy: 1.9304754119737584
Energy: 2.1535558704813234
Energy: 1.915233337879568
Energy: 2.055248824188675
Energy: 1.8348629520427981
Energy: 2.055248824191415

minimum gb energy = 1.704981097437984 eV
minimum distance =  2.19294933143843 Angstroms
sigma value = 25


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

Energy: 2.169843425591981
Energy: 2.2947738487547826
Energy: 2.0875599008615646
Energy: 2.2947738487526586
Energy: 1.9725456346218326
Energy: 2.217852150009037
Energy: 2.073252897498344
Energy: 2.2178521500100987
Energy: 1.8338453019920087
Energy: 2.339173051753885
Energy: 2.0737532026491143
Energy: 2.339173051754946
Energy: 2.0588477721511835
Energy: 2.247526897891759
Energy: 1.9731894641751206
Energy: 2.247526897891759
Energy: 1.9720226331743342
Energy: 2.294775516896177
Energy: 2.059914075990107
Energy: 2.2947755168972392
Energy: 2.116082079530383
Energy: 2.3383314002466746
Energy: 2.076979899210206
Energy: 2.3383314002487987
Energy: 2.077009691222001
Energy: 2.085678777320406
Energy: 2.0171247564799364
Energy: 2.085678777320406
Energy: 2.1021468835502786
Energy: 2.2947705464648136
Energy: 1.86318510467427
Energy: 2.2947705464669372
Energy: 2.016157896464828
Energy: 2.211774721278086
Energy: 2.0771240379959246
Energy: 2.211774721278086
Energy: 2.0726409916308515
Energy: 2.339119837413066
Energy: 1.9549120709577852
Energy: 2.339119837410943
Energy: 1.9551371231364956
Energy: 2.294319627798667
Energy: 2.0723579366097433
Energy: 2.2943196277976057
Energy: 1.9735649079064388
Energy: 2.294768074192327
Energy: 2.072331967341798
Energy: 2.2947680741955123
Energy: 2.073756457985596
Energy: 2.243876149934528
Energy: 1.9556067663464949
Energy: 2.24387614993559
Energy: 2.0170443810266696
Energy: 2.077903806476932
Energy: 2.0766897151179915
Energy: 2.0779038064779938
Energy: 1.9565716102458481
Energy: 2.2948222318575047
Energy: 1.8596950959915848
Energy: 2.2948222318553806
Energy: 2.073209713553691
Energy: 2.0854072300372684
Energy: 1.9719842142726405
Energy: 2.08540723003833
Energy: 1.8331908287291994
Energy: 2.339422564896389
Energy: 1.8329146231520157
Energy: 2.339422564897451
Energy: 1.9733489303054252
Energy: 2.2953591308439476
Energy: 2.058439863277861
Energy: 2.2953591308418244
Energy: 2.0581666851913964
Energy: 2.245937374292319
Energy: 1.9722955958886814
Energy: 2.2459373742933813
Energy: 1.9702575383351317
Energy: 2.3383447242034956
Energy: 2.076924512857104
Energy: 2.3383447242034956
Energy: 2.091411629395205
Energy: 2.2194448063474703
Energy: 2.076548707321109
Energy: 2.219444806349594
Energy: 2.1086352345260537
Energy: 2.294570655620998
Energy: 2.080664023032593
Energy: 2.294570655620998
Energy: 2.0769496278193555
Energy: 2.220381502716595
Energy: 2.072962700503813
Energy: 2.220381502716595
Energy: 1.8341593889712702
Energy: 2.3391407424392
Energy: 2.072514872801204
Energy: 2.3391407424381385
Energy: 2.072661934936373
Energy: 2.2452007466996116
Energy: 1.9738220241882563
Energy: 2.2452007466974875

minimum gb energy = 1.8329146231520157 eV
minimum distance =  2.187952543436 Angstroms
sigma value = 9


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

Energy: 2.3592167625418385
Energy: 2.3188604294031223
Energy: 2.2778164254891387
Energy: 2.3188604294056554
Energy: 2.157112908454612
Energy: 2.4088525847009423
Energy: 2.229994472685422
Energy: 2.4088525846996753
Energy: 1.968811170719535
Energy: 2.318893577411972
Energy: 2.2288000047715504
Energy: 2.3188935774132386
Energy: 2.249833571007742
Energy: 2.486637152487139
Energy: 2.02106029318191
Energy: 2.4866371524884054
Energy: 2.3127144575601433
Energy: 2.409337100441711
Energy: 2.2291618373269593
Energy: 2.409337100441711
Energy: 1.9674629008459
Energy: 2.2718137252599493
Energy: 2.0070258885789363
Energy: 2.271813725262483
Energy: 2.253845773622583
Energy: 2.021564083913271
Energy: 2.025093812515355
Energy: 2.0215640839145093
Energy: 2.135263484044185
Energy: 2.267142794756963
Energy: 2.008252475264482
Energy: 2.267142794756963
Energy: 2.25503799630172
Energy: 2.409311941334301
Energy: 2.228780642646283
Energy: 2.4093119413330344
Energy: 2.2490553558490722
Energy: 2.2537245426972916
Energy: 2.021400037505195
Energy: 2.2537245426960246
Energy: 2.1095867073053887
Energy: 2.453570807940818
Energy: 2.199076313002431
Energy: 2.453570807942084
Energy: 2.2492868914755695
Energy: 2.2520511937564898
Energy: 2.0210324934146477
Energy: 2.252051193765356
Energy: 1.9684251917361946
Energy: 2.3195266040807847
Energy: 2.113176528056565
Energy: 2.3195266040795177
Energy: 2.0995177782665015
Energy: 2.2683763131887136
Energy: 2.230251257021575
Energy: 2.26837631318998
Energy: 1.9684270940902424
Energy: 2.319279445491429
Energy: 2.135057617339581
Energy: 2.319279445492696
Energy: 2.249274538520435
Energy: 2.2514384031337826
Energy: 2.021080671374694
Energy: 2.2514384031363157
Energy: 2.109674730852068
Energy: 2.4535075837492117
Energy: 2.228888303191991
Energy: 2.4535075837492117
Energy: 2.249038058423392
Energy: 2.253890516545287
Energy: 2.021260856642306
Energy: 2.2538905165440206
Energy: 2.2552354398836134
Energy: 2.4093263159287264
Energy: 2.2286821733057587
Energy: 2.4093263159287264
Energy: 2.13548956557936
Energy: 2.2672477032426754
Energy: 2.0082501134640207
Energy: 2.267247703241409
Energy: 2.2534093383659144
Energy: 2.0215981061088075
Energy: 2.025063341039153
Energy: 2.021598106106274

minimum gb energy = 1.9674629008459 eV
minimum distance =  2.26720521390293 Angstroms
sigma value = 25


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

Energy: 2.154768418880298
Energy: 2.649960949841254
Energy: 2.497023360935728
Energy: 2.6499609498396874
Energy: 2.1329280386856806
Energy: 2.440259560776156
Energy: 2.113100990221869
Energy: 2.4402595607745896
Energy: 2.115188564406607
Energy: 2.1520593662217626
Energy: 2.112830083337361
Energy: 2.1520593662217626
Energy: 2.1500051336172294
Energy: 2.4501898647509393
Energy: 2.3136042373031662
Energy: 2.4501898647556386
Energy: 2.3148291858018353
Energy: 2.131912924509547
Energy: 2.1133355242343423
Energy: 2.1319129245111137
Energy: 2.114492690742426
Energy: 2.6883918143654046
Energy: 2.1151308775183306
Energy: 2.6883918143669705
Energy: 2.113615233163994
Energy: 2.137858821462871
Energy: 2.113023677576773
Energy: 2.137858821462871
Energy: 2.312910584658706
Energy: 2.6526739656670237
Energy: 2.1493443521779683
Energy: 2.652673965665457
Energy: 2.112891184852975
Energy: 2.4390096454628796
Energy: 2.1313555810885383
Energy: 2.4390096454613133
Energy: 2.381553410649105
Energy: 2.1744193669850884
Energy: 2.113990004889079
Energy: 2.1744193669850884
Energy: 2.1260734967905477
Energy: 2.6548359066708964
Energy: 2.5042842764176796
Energy: 2.6548359066693297
Energy: 2.113356518142793
Energy: 2.173914395409363
Energy: 2.382092565117955
Energy: 2.173914395410929
Energy: 2.329108961370547
Energy: 2.150698632161478
Energy: 2.1141389716551324
Energy: 2.150698632161478
Energy: 2.1127891663567935
Energy: 2.137488293866123
Energy: 2.1500802481806702
Energy: 2.1374882938676896
Energy: 2.1128272197393767
Energy: 2.6543177681561207
Energy: 2.315962349632739
Energy: 2.654317768153024
Energy: 2.131933074931861
Energy: 2.2378921574439556
Energy: 2.1147184165923982
Energy: 2.2378921574439556
Energy: 2.113212301796566
Energy: 2.2791500096330934
Energy: 2.3822974973881244
Energy: 2.279150009631527

minimum gb energy = 2.1127891663567935 eV
minimum distance =  2.25501676068478 Angstroms
sigma value = 17


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

Energy: 2.4572829599803003
Energy: 2.4521554609758853
Energy: 2.638880871490665
Energy: 2.4521554609661265
Energy: 2.377841007329819
Energy: 2.2997894885979893
Energy: 2.173336568670412
Energy: 2.2997894885971424
Energy: 2.3639246739695534
Energy: 2.3142036731186857
Energy: 2.173148576499985
Energy: 2.3142036731186857
Energy: 2.1778810065373655
Energy: 2.192234249858254
Energy: 2.3045886977654093
Energy: 2.192234249860916
Energy: 2.4146422363412983
Energy: 2.311290179172977
Energy: 2.1734265552698644
Energy: 2.3112901791738643
Energy: 2.1948183991868806
Energy: 2.2372016961980816
Energy: 2.348358293918996
Energy: 2.2372016961971948
Energy: 2.174282622145666
Energy: 2.2972599101472824
Energy: 2.1733322476311705
Energy: 2.297259910145508
Energy: 2.3509351974858776
Energy: 2.1913726793313058
Energy: 2.1865106243889776
Energy: 2.191372679330419
Energy: 2.187840579619474
Energy: 2.3811012446707416
Energy: 2.419575923331346
Energy: 2.381101244668967
Energy: 2.5388008002704496
Energy: 2.261297731551552
Energy: 2.1737008003346663
Energy: 2.2612977315551004
Energy: 2.182825803098621
Energy: 2.190901322767689
Energy: 2.370433938967343
Energy: 2.1909013227668015
Energy: 2.187230524224571
Energy: 2.297240622954048
Energy: 2.1869943376397596
Energy: 2.297240622957596
Energy: 2.36909746444637
Energy: 2.1913792185091983
Energy: 2.185665251301318
Energy: 2.191379218508311
Energy: 2.173424582401113
Energy: 2.396316497699045
Energy: 2.37775493845505
Energy: 2.396316497698158
Energy: 2.3275176080324744
Energy: 2.2968544066834773
Energy: 2.187738657306339
Energy: 2.2968544066817027
Energy: 2.361361161483283
Energy: 2.193296744890315
Energy: 2.3511065403673825
Energy: 2.193296744889428
Energy: 2.1740180338347845
Energy: 2.356310554485156
Energy: 2.543036269032103
Energy: 2.3563105544833816
Energy: 2.398108355827376
Energy: 2.1801355220101595
Energy: 2.194637975608639
Energy: 2.180135522008385
Energy: 2.217579830105352
Energy: 2.2998773587932755
Energy: 2.3259456058921
Energy: 2.2998773587923886
Energy: 2.1729581276009564
Energy: 2.192497887781971
Energy: 2.178439680911988
Energy: 2.192497887781971
Energy: 2.263167986843417
Energy: 2.178779257321036
Energy: 2.363558774233804
Energy: 2.178779257318374
Energy: 2.1736511726948673
Energy: 2.4198296365899004
Energy: 2.543147711690576
Energy: 2.4198296365907876
Energy: 2.439833517703886
Energy: 2.1910392897654227
Energy: 2.1752622678511067
Energy: 2.19103928976631
Energy: 2.185855306284582
Energy: 2.296962546650277
Energy: 2.3665083568480862
Energy: 2.2969625466485035
Energy: 2.185649149775814
Energy: 2.3142266875693633
Energy: 2.364381981332769
Energy: 2.3142266875729125
Energy: 2.3975292329803652
Energy: 2.1935581631812124
Energy: 2.1772869635263934
Energy: 2.1935581631776633
Energy: 2.1737395374904147
Energy: 2.4196700127279787
Energy: 2.5902808972648637
Energy: 2.4196700127253172
Energy: 2.3484213793982813
Energy: 2.239803761244086
Energy: 2.3656513917914
Energy: 2.239803761240538
Energy: 2.511008037281937
Energy: 2.406589383177094
Energy: 2.1818174884844233
Energy: 2.406589383178868
Energy: 2.1865156704708877
Energy: 2.379386382191047
Energy: 2.3985924764380986
Energy: 2.3793863821928216

minimum gb energy = 2.1729581276009564 eV
minimum distance =  2.24859785526462 Angstroms
sigma value = 53


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

Energy: 2.1347674613284315
Energy: 2.13180267300866
Energy: 2.758894071184257
Energy: 2.13180267300866
Energy: 2.4454579458375543
Energy: 2.2828183931287134
Energy: 2.1997993139638683
Energy: 2.2828183931307557
Energy: 2.1365770094878136
Energy: 2.1309366790118403
Energy: 2.258740671280342
Energy: 2.1309366790138826
Energy: 2.1364893744813056
Energy: 2.131085101123346
Energy: 2.2585808207113764
Energy: 2.1310851011274305
Energy: 2.4453212231567147
Energy: 2.2828210890114224
Energy: 2.1997640962373484
Energy: 2.2828210890114224
Energy: 2.1347674613263896
Energy: 2.13180267300866
Energy: 2.49602027606795
Energy: 2.13180267300866
Energy: 2.4454579458375543
Energy: 2.2828183931287134
Energy: 2.258468778226008
Energy: 2.282818393132798
Energy: 2.1365770094898564
Energy: 2.1309366790118403
Energy: 2.4519428690986964
Energy: 2.1309366790138826
Energy: 2.1364893744792632
Energy: 2.1310851011253877
Energy: 2.382821900952861
Energy: 2.131085101129473
Energy: 2.4453212231607995
Energy: 2.2828210890114224
Energy: 2.2841913533736813
Energy: 2.2828210890114224
Energy: 2.1347674613284315
Energy: 2.13180267300866
Energy: 2.6734302466454243
Energy: 2.1318026730066175
Energy: 2.445457945839597
Energy: 2.2828183931287134
Energy: 2.3835853935919733
Energy: 2.2828183931307557
Energy: 2.1365770094857712
Energy: 2.130936679009798
Energy: 2.4519293269546765
Energy: 2.1309366790118403

minimum gb energy = 2.130936679009798 eV
minimum distance =  2.23839327732285 Angstroms
sigma value = 9


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

Energy: 2.29941993138194
Energy: 2.496355819404026
Energy: 2.791433553285751
Energy: 2.4963558193979782
Energy: 2.485473160949153
Energy: 2.34587581257761
Energy: 2.2371921090539044
Energy: 2.3458758125723187
Energy: 2.233342357914203
Energy: 2.277911860613131
Energy: 2.2533561309032177
Energy: 2.277911860614643
Energy: 2.4102531374098066
Energy: 2.5659212783219454
Energy: 2.237481415685048
Energy: 2.5659212783249687
Energy: 2.501717074129516
Energy: 2.38633080340181
Energy: 2.244063544611664
Energy: 2.3863308034025663
Energy: 2.2807920543051585
Energy: 2.277965754821062
Energy: 2.40106644227456
Energy: 2.277965754825598
Energy: 2.754491873035792
Energy: 2.380407725371963
Energy: 2.251029620025674
Energy: 2.380407725373475
Energy: 2.2436659253952405
Energy: 2.527607908501491
Energy: 2.4353580069128626
Energy: 2.527607908499979
Energy: 2.237761311418305
Energy: 2.583291531747532
Energy: 2.2841720706131774
Energy: 2.5832915317482876
Energy: 2.2347583228450425
Energy: 2.3613649764226534
Energy: 2.248424227503885
Energy: 2.361364976424165
Energy: 2.2463029160076498
Energy: 2.4284123602779673
Energy: 2.697659859911086
Energy: 2.4284123602756997
Energy: 2.457907889040574
Energy: 2.5528535819037583
Energy: 2.2411097932460624
Energy: 2.552853581900735
Energy: 2.236922464906259
Energy: 2.3780878936506458
Energy: 2.584187622277475
Energy: 2.3780878936514016
Energy: 2.4179831316679845
Energy: 2.4284740459424783
Energy: 2.3039989919517896
Energy: 2.428474045943234
Energy: 2.247544340022985
Energy: 2.445900480079437
Energy: 2.433279565644778
Energy: 2.4459004800832167
Energy: 2.2412847608051254
Energy: 2.5822150391382643
Energy: 2.409573367806669
Energy: 2.5822150391375085
Energy: 2.360597617338477
Energy: 2.4459579910941116
Energy: 2.247419302028298
Energy: 2.4459579910956237
Energy: 2.2507934664810976
Energy: 2.381447824746172
Energy: 2.4992524450526648
Energy: 2.381447824743904
Energy: 2.5140960003056114
Energy: 2.3776433132384587
Energy: 2.2821176743194806
Energy: 2.3776433132324115
Energy: 2.241824086107834
Energy: 2.3782744318611218
Energy: 2.381747263635935
Energy: 2.378274431867169
Energy: 2.4068018999946967
Energy: 2.559171566294057
Energy: 2.4135786174206637
Energy: 2.559171566295569
Energy: 2.3874975318494984
Energy: 2.4647149076606953
Energy: 2.234707748154013
Energy: 2.4647149076652313
Energy: 2.283762145385872
Energy: 2.4685918106300644
Energy: 2.237507480450807
Energy: 2.4685918106277964
Energy: 2.762904670563703
Energy: 2.4242803420901384
Energy: 2.2430164755378987
Energy: 2.4242803420886263
Energy: 2.2516629551959557
Energy: 2.498986503897454
Energy: 2.625971329169255
Energy: 2.498986503899722
Energy: 2.3182291615905797
Energy: 2.2777582045283897
Energy: 2.23469785473987
Energy: 2.2777582045299014
Energy: 2.437271888461504
Energy: 2.5435355615106396
Energy: 2.4092324431466867
Energy: 2.543535561503836
Energy: 2.252474039046103
Energy: 2.566024453812253
Energy: 2.410309282162428
Energy: 2.566024453811497
Energy: 2.3377349144683195
Energy: 2.277347779167986
Energy: 2.2335091892875982
Energy: 2.2773477791642063
Energy: 2.2374216949567485
Energy: 2.568238487824867
Energy: 2.6267761490893933
Energy: 2.568238487827135
Energy: 2.700541663098992
Energy: 2.4953994641556725
Energy: 2.2420344370229346
Energy: 2.4953994641466015
Energy: 2.236906258496329
Energy: 2.3726575309357494
Energy: 2.2345360712455493
Energy: 2.3726575309349935
Energy: 2.253488264625062
Energy: 2.463040436229826
Energy: 2.2333944394966423
Energy: 2.463040436231337
Energy: 2.4069408768590765
Energy: 2.5630974697058013
Energy: 2.4098475752856343
Energy: 2.563097469702778
Energy: 2.2434198666610126
Energy: 2.5111661370381992
Energy: 2.7544659289899793
Energy: 2.511166137040467

minimum gb energy = 2.233342357914203 eV
minimum distance =  2.23043818021732 Angstroms
sigma value = 73


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

Energy: 2.3043732596618582
Energy: 2.2969210602639136
Energy: 2.7319516167615556
Energy: 2.2969210602627146
Energy: 2.2964055754642394
Energy: 2.442575892326287
Energy: 2.240735464535128
Energy: 2.442575892326287
Energy: 2.2480078454046306
Energy: 2.6610250705902034
Energy: 2.2522640391935282
Energy: 2.661025070587805
Energy: 2.2282255147753154
Energy: 2.446136197023147
Energy: 2.240902169743251
Energy: 2.446136197023147
Energy: 2.2256977777800144
Energy: 2.444292348707545
Energy: 2.223287244850141
Energy: 2.444292348707545
Energy: 2.2479219740978382
Energy: 2.6627743987888084
Energy: 2.6304260383262283
Energy: 2.6627743987888084
Energy: 2.7549300259526786
Energy: 2.625748400761187
Energy: 2.2423774931865967
Energy: 2.625748400762386
Energy: 2.227608240929838
Energy: 2.2963726347221294
Energy: 2.678486716831159
Energy: 2.296372634719731
Energy: 2.649562095774821
Energy: 2.243905766703033
Energy: 2.2462481645143377
Energy: 2.243905766705432
Energy: 2.2446162610147193
Energy: 2.4063859596322548
Energy: 2.2444234614434326
Energy: 2.406385959629856
Energy: 2.2230877010425165
Energy: 2.2455332030895048
Energy: 2.649406805489625
Energy: 2.2455332030883057
Energy: 2.5056213119210438
Energy: 2.4403508684305986
Energy: 2.227404662186915
Energy: 2.440350868429399
Energy: 2.2427064460045667
Energy: 2.40639163986548
Energy: 2.600098669932204
Energy: 2.406391639867879
Energy: 2.7198888929788816
Energy: 2.408666965891203
Energy: 2.247966144235668
Energy: 2.408666965892402
Energy: 2.2519770654073765
Energy: 2.325759563596689
Energy: 2.503799662518415
Energy: 2.3257595635978876
Energy: 2.6494963774283407
Energy: 2.295850824223624
Energy: 2.22818928467732
Energy: 2.295850824223624
Energy: 2.241729414311488
Energy: 2.2437704595879278
Energy: 2.2480141864487826
Energy: 2.2437704595855563
Energy: 2.240381901988122
Energy: 2.244857135101907
Energy: 2.2482778970999444
Energy: 2.244857135100708
Energy: 2.222857249089643
Energy: 2.296446783925343
Energy: 2.22487595887836
Energy: 2.296446783927742
Energy: 2.2405975666942965
Energy: 2.3298707654355546
Energy: 2.755568442951736
Energy: 2.329870765436754
Energy: 2.7189530557357835
Energy: 2.252635715115855
Energy: 2.25181974022689
Energy: 2.252635715115855
Energy: 2.2406155459934523
Energy: 2.424010570010108
Energy: 2.6009738607691566
Energy: 2.4240105700089085

minimum gb energy = 2.222857249089643 eV
minimum distance =  2.20128391252049 Angstroms
sigma value = 7


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

Energy: 2.344513032201327
Energy: 2.339247262445206
Energy: 2.666461277898163
Energy: 2.339247262440118
Energy: 2.7153496332069578
Energy: 2.4081948360670373
Energy: 2.2872772159733534
Energy: 2.408194836061987
Energy: 2.2682199789656887
Energy: 2.3368707532447925
Energy: 2.267044775182457
Energy: 2.336870753239704
Energy: 2.26982837758288
Energy: 2.4329787576898
Energy: 2.2877030132196827
Energy: 2.4329787576914965
Energy: 2.268915991873049
Energy: 2.420824744920909
Energy: 2.277733817615513
Energy: 2.4208247449226046
Energy: 2.267108050849828
Energy: 2.2877699690270927
Energy: 2.5874769686631534
Energy: 2.2877699690211566
Energy: 2.507968214923007
Energy: 2.5187595697097938
Energy: 2.276617362038831
Energy: 2.5187595697097938
Energy: 2.2668063723932854
Energy: 2.3323446643726644
Energy: 2.6252491694619025
Energy: 2.332344664377753
Energy: 2.5506402318479005
Energy: 2.4074758449125246
Energy: 2.288710997224157
Energy: 2.407475844915917
Energy: 2.2670620885569215
Energy: 2.440095833418333
Energy: 2.4693349230458055
Energy: 2.4400958334157887
Energy: 2.277650470667303
Energy: 2.5974794824732097
Energy: 2.2764222126689226
Energy: 2.5974794824706655
Energy: 2.297011454979228
Energy: 2.4223020807215936
Energy: 2.2722528879899184
Energy: 2.42230208072753
Energy: 2.286545845383165
Energy: 2.2976528537099568
Energy: 2.2770486063174142
Energy: 2.2976528537099568
Energy: 2.286903088675702
Energy: 2.324694518570165
Energy: 2.2715229645395847
Energy: 2.3246945185752526
Energy: 2.264879046254571
Energy: 2.567568845891193
Energy: 2.501090247194901
Energy: 2.5675688458827124
Energy: 2.6950613548460063
Energy: 2.323960842837149
Energy: 2.28864683637086
Energy: 2.3239608428413896
Energy: 2.264817311500716
Energy: 2.419665411540314
Energy: 2.336609771588733
Energy: 2.4196654115394653
Energy: 2.278502194034886
Energy: 2.341283345282057
Energy: 2.27178552106482
Energy: 2.341283345276968
Energy: 2.2655548590320707
Energy: 2.5985620687616553
Energy: 2.276964318234403
Energy: 2.5985620687650477
Energy: 2.2669381694229593
Energy: 2.420164181341232
Energy: 2.272524848503305
Energy: 2.420164181336992
Energy: 2.2773417723027567
Energy: 2.597878749052107
Energy: 2.2890994362184283
Energy: 2.5978787490419304
Energy: 2.2669861591716933
Energy: 2.333752391433346
Energy: 2.4748839516712393
Energy: 2.3337523914248655
Energy: 2.649545175481204
Energy: 2.407370948072872
Energy: 2.2810306997606826
Energy: 2.407370948076265
Energy: 2.3414998310544495
Energy: 2.32994847632273
Energy: 2.587481971009373
Energy: 2.329948476323578
Energy: 2.3052598458031106
Energy: 2.419973924621415
Energy: 2.282308437720652
Energy: 2.4199739246231116
Energy: 2.270149621257889
Energy: 2.590637621293413
Energy: 2.267502735998847
Energy: 2.590637621293413
Energy: 2.2685111179501836
Energy: 2.443052421949543
Energy: 2.282299821839441
Energy: 2.443052421949543
Energy: 2.2696089211435546
Energy: 2.4184423298010564
Energy: 2.287597617057867
Energy: 2.418442329797664
Energy: 2.267545805862535
Energy: 2.339553138534221
Energy: 2.4113888702415682
Energy: 2.339553138528285
Energy: 2.3589121290791106
Energy: 2.315257785045156
Energy: 2.287088152963523
Energy: 2.3152577850417635
Energy: 2.2673127290079176
Energy: 2.339545258234548
Energy: 2.6418932181152557
Energy: 2.339545258234548

minimum gb energy = 2.264817311500716 eV
minimum distance =  2.19191927301583 Angstroms
sigma value = 29


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

Energy: 2.2568265327192036
Energy: 2.218527242645846
Energy: 2.8256893910985004
Energy: 2.21852724264729
Energy: 2.198674492853988
Energy: 2.2500997066675734
Energy: 2.25149590140847
Energy: 2.2500997066664246
Energy: 2.1898004609674664
Energy: 2.3915176148703705
Energy: 2.1972431529793757
Energy: 2.391517614868368
Energy: 2.2529010011391684
Energy: 2.520716400889696
Energy: 2.251830251734735
Energy: 2.5207164008888427
Energy: 2.2566732212579015
Energy: 2.3420879885986188
Energy: 2.1962716725926525
Energy: 2.3420879885988812
Energy: 2.198292762237743
Energy: 2.397532663188327
Energy: 2.1980129107263413
Energy: 2.3975326631880316
Energy: 2.189635542390043
Energy: 2.3420924979850324
Energy: 2.2568985973758937
Energy: 2.342092497985623
Energy: 2.252157434705292
Energy: 2.5206401922276482
Energy: 2.25298209116397
Energy: 2.5206401922279102
Energy: 2.1968967855583372
Energy: 2.3914926333326845
Energy: 2.1898023893231042
Energy: 2.391492633332947

minimum gb energy = 2.189635542390043 eV
minimum distance =  2.22379522239091 Angstroms
sigma value = 5


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

Energy: 2.152079163288089
Energy: 2.1435031866161682
Energy: 2.4883765122658654
Energy: 2.1435031866185716
Energy: 2.4533918584248333
Energy: 2.2440649965682447
Energy: 2.0425811071533486
Energy: 2.244064996569847
Energy: 2.0499286262797005
Energy: 2.131437890238816
Energy: 2.4816922128054952
Energy: 2.1314378902380144
Energy: 2.059465277399412
Energy: 2.2249433184153276
Energy: 2.1064993307396254
Energy: 2.2249433184065155
Energy: 2.0726192923139792
Energy: 2.23743694613522
Energy: 2.648687219104064
Energy: 2.237436946141629
Energy: 2.1050091236075756
Energy: 2.1590876176094014
Energy: 2.073774948138346
Energy: 2.159087617605396
Energy: 2.0764011880694593
Energy: 2.2508421451407585
Energy: 2.0767959055920104
Energy: 2.2508421451391563
Energy: 2.07539424008857
Energy: 2.162970441656987
Energy: 2.043342008402502
Energy: 2.162970441664998
Energy: 2.1117526627006873
Energy: 2.224536195672508
Energy: 2.0283559645324347
Energy: 2.2245361956701046
Energy: 2.1091282498138333
Energy: 2.2301389543963897
Energy: 2.0577678199649028
Energy: 2.230138954398793
Energy: 2.0358326037904595
Energy: 2.2262332535389184
Energy: 2.050279320158223
Energy: 2.226233253535714
Energy: 2.04154604363356
Energy: 2.475901936572406
Energy: 2.3405153134806516
Energy: 2.475901936570804
Energy: 2.1247917447169002
Energy: 2.1564082110551523
Energy: 2.162577009521649
Energy: 2.1564082110567546
Energy: 2.072074742407529
Energy: 2.1558724181586193
Energy: 2.1194477234548335
Energy: 2.1558724181594204
Energy: 2.4263242153149376
Energy: 2.06595619899399
Energy: 2.0497562142078656
Energy: 2.0659561989947908
Energy: 2.1053818065340115
Energy: 2.1156608631943494
Energy: 2.474640560082287
Energy: 2.1156608631887415
Energy: 2.486475831919796
Energy: 2.0816967039469523
Energy: 2.0429416048827678
Energy: 2.081696703942146
Energy: 2.083956247520394
Energy: 2.155760703621309
Energy: 2.1843435778737677
Energy: 2.1557607036221103
Energy: 2.0782392263416427
Energy: 2.2535740112800013
Energy: 2.074504050741316
Energy: 2.253574011283205
Energy: 2.0419714567250655
Energy: 2.467753771046989
Energy: 2.1481993513873086
Energy: 2.4677537710509947
Energy: 2.0311844395268466
Energy: 2.2158554565911865
Energy: 2.1080430924861657
Energy: 2.215855456587254
Energy: 2.0733167246355433
Energy: 2.2283636814698395
Energy: 2.112522160476952
Energy: 2.2283636814714414
Energy: 2.0515608048331417
Energy: 2.1590079648596636
Energy: 2.034538015379252
Energy: 2.159007964853255
Energy: 2.3518045158792242
Energy: 2.156995952974966
Energy: 2.04217381530692
Energy: 2.1569959529757665
Energy: 2.3518713394005584
Energy: 2.1205426445004814
Energy: 2.0451824924264765
Energy: 2.120542644497277
Energy: 2.125957279671372
Energy: 2.1565363394634827
Energy: 2.0721202551938886
Energy: 2.156536339467488
Energy: 2.0506917814436822
Energy: 2.207756886290316
Energy: 2.2809464008720304
Energy: 2.207756886291117
Energy: 2.103981330058231
Energy: 2.2278868899275976
Energy: 2.1053769800071325
Energy: 2.2278868899275976
Energy: 2.0415914149408922
Energy: 2.076826036468117
Energy: 2.3147341646465582
Energy: 2.0768260364633107
Energy: 2.54410517047103
Energy: 2.155559222503801
Energy: 2.0838077943422832
Energy: 2.155559222503801
Energy: 2.0786368481852517
Energy: 2.1279673017968816
Energy: 2.2761252925621442
Energy: 2.127967301792075
Energy: 2.4860360231237033
Energy: 2.1550968435200963
Energy: 2.0416344565513236
Energy: 2.1550968435200963
Energy: 2.1059897398041816
Energy: 2.22665812157975
Energy: 2.032871296271053
Energy: 2.2266581215789487

minimum gb energy = 2.0283559645324347 eV
minimum distance =  2.2073767064029 Angstroms
sigma value = 1


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

Energy: 2.063014032017894
Energy: 2.058042142061771
Energy: 2.4239252477989406
Energy: 2.0580421420628787
Energy: 2.0398390064006455
Energy: 2.0760757303098294
Energy: 1.9575391392496213
Energy: 2.076075730307614
Energy: 1.9128674356845574
Energy: 2.057252933887442
Energy: 2.366382997334794
Energy: 2.0572529338929804
Energy: 1.9922302331182828
Energy: 2.1536890127239636
Energy: 1.9621236936995023
Energy: 2.153689012722856
Energy: 1.9137779985093923
Energy: 2.23356993751894
Energy: 2.514886456507952
Energy: 2.2335699375233706
Energy: 1.9149174012558887
Energy: 2.0667653619624016
Energy: 1.9618441845782377
Energy: 2.0667653619690474
Energy: 1.9140656191733556
Energy: 2.2339731753805063
Energy: 2.0106589271740307
Energy: 2.2339731753783414
Energy: 1.9148288395032547
Energy: 2.068906831877651
Energy: 2.0260589742177073
Energy: 2.0689068318820816
Energy: 2.0582353580889854
Energy: 2.0478927381744114
Energy: 2.0262117654540956
Energy: 2.047892738177735
Energy: 2.058437868734755
Energy: 2.0476941041622148
Energy: 2.0097757468903334
Energy: 2.047694104167753
Energy: 1.9148313377395054
Energy: 2.0687419241800513
Energy: 2.026348773978818
Energy: 2.0687419241778358
Energy: 1.9140615072780243
Energy: 2.2336568813687827
Energy: 1.9877658039920965
Energy: 2.233656881374321
Energy: 1.914867395395895
Energy: 2.0666479855039257
Energy: 1.961843432932698
Energy: 2.066647985500603
Energy: 1.913687228459775
Energy: 2.233340804470533
Energy: 2.300707437070863
Energy: 2.2333408044661027
Energy: 1.9923877551145002
Energy: 2.153564521697353
Energy: 1.9612769950923663
Energy: 2.1535645216962456
Energy: 1.9128634182718958
Energy: 2.057200432892331
Energy: 2.0404635962064845
Energy: 2.0572004328944953
Energy: 2.039914446882178
Energy: 2.076203175511848
Energy: 1.958221731965059
Energy: 2.076203175511848
Energy: 2.0630140320278625
Energy: 2.058042142061771
Energy: 2.404146803753661
Energy: 2.058042142061771
Energy: 2.0398390064083993
Energy: 2.0760757303098294
Energy: 1.9575391392496213
Energy: 2.076075730307614
Energy: 1.9128674356812343
Energy: 2.057252933887442
Energy: 2.8209072295393005
Energy: 2.0572529338929804
Energy: 1.9922302331182828
Energy: 2.153689012725072
Energy: 1.9621236936995023
Energy: 2.1536890127239636
Energy: 1.913777998507177
Energy: 2.233569937520048
Energy: 2.4934617326418067
Energy: 2.2335699375233706
Energy: 1.9149174012558887
Energy: 2.0667653619635096
Energy: 1.9618441845782377
Energy: 2.0667653619690474
Energy: 1.9140656191711403
Energy: 2.2339731753805063
Energy: 1.9878107517447592
Energy: 2.2339731753772334

minimum gb energy = 1.9128634182718958 eV
minimum distance =  2.21273541823151 Angstroms
sigma value = 17


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

Energy: 2.006317491001006
Energy: 2.001492504247842
Energy: 2.371951745402899
Energy: 2.0014925042505802
Energy: 2.300956492851973
Energy: 1.9709022440842117
Energy: 1.9104412047569004
Energy: 1.9709022440705197
Energy: 1.9127628716725547
Energy: 1.9753030578068085
Energy: 2.5401034531584323
Energy: 1.9753030578116006
Energy: 1.96834490692992
Energy: 1.9071131451204297
Energy: 1.9096346739209273
Energy: 1.9071131451300143
Energy: 1.8917294800393807
Energy: 2.116989559441789
Energy: 2.2872535018100293
Energy: 2.1169895594390504
Energy: 1.8806407253647879
Energy: 2.3431596700599444
Energy: 1.9405848729792567
Energy: 2.343159670061998
Energy: 1.9130327134084948
Energy: 2.085897741134248
Energy: 1.9848841395563552
Energy: 2.085897741128086
Energy: 1.889671988203478
Energy: 2.366419194188009
Energy: 1.8895357867188187
Energy: 2.3664191941852706
Energy: 1.9966568004201983
Energy: 1.956742440286473
Energy: 1.9640212805921582
Energy: 1.9567424402892117
Energy: 2.0016887259257143
Energy: 2.047383032357751
Energy: 1.9116106478351678
Energy: 2.047383032356382
Energy: 1.913726083616238
Energy: 2.0080245608219696
Energy: 1.8896943535833075
Energy: 2.0080245608226543
Energy: 1.9137403706070453
Energy: 2.064373104761257
Energy: 1.8911883300612928
Energy: 2.0643731047578338
Energy: 1.8799027706770983
Energy: 2.3437674350596005
Energy: 1.9098377998804676
Energy: 2.3437674350637083
Energy: 1.8916330266529346
Energy: 2.115692964185923
Energy: 2.012668705001157
Energy: 2.115692964185923
Energy: 1.8907716348303718
Energy: 2.3281551359468673
Energy: 2.0156287288487627
Energy: 2.3281551359434447
Energy: 1.9131123944375295
Energy: 1.9770236795894767
Energy: 2.278080159017728
Energy: 1.977023679585369
Energy: 1.9369733889476874
Energy: 2.329350907038446
Energy: 1.909432519848519
Energy: 2.3293509070377616
Energy: 1.9083052438541614
Energy: 2.0023387359246523
Energy: 1.92306657011462
Energy: 2.002338735923283
Energy: 2.2803727847494413
Energy: 2.0707009830089853
Energy: 1.9114212713243612
Energy: 2.0707009830048775
Energy: 1.9389171047120435
Energy: 1.9767639796036043
Energy: 1.9660803822513706
Energy: 1.9767639796049734
Energy: 2.2792150585992745
Energy: 1.954641821095834
Energy: 1.9093816465080653
Energy: 1.954641821092411
Energy: 1.909066988866638
Energy: 2.060137159822369
Energy: 1.9143621560411799
Energy: 2.0601371598237384
Energy: 1.9339029148529532
Energy: 1.9340389395775919
Energy: 1.9394394080125306
Energy: 1.9340389395673228
Energy: 1.912525359544958
Energy: 2.086561761321134
Energy: 2.3010855751956316
Energy: 2.0865617613204495
Energy: 1.9527635303215838
Energy: 2.0032498442899453
Energy: 1.9086465457238369
Energy: 2.0032498442926836
Energy: 1.9090358249533095
Energy: 2.1192443468633053
Energy: 1.936453099262817
Energy: 2.119244346857828
Energy: 2.256573283171812
Energy: 2.0318207246117166
Energy: 1.9120423990642175
Energy: 2.0318207246089783
Energy: 2.020569394762973
Energy: 2.3277419147028735
Energy: 1.8904251828111265
Energy: 2.3277419147028735
Energy: 2.0351970948593316
Energy: 2.11553422268569
Energy: 1.8912200347596833
Energy: 2.11553422268569
Energy: 1.9096933869602992
Energy: 2.0349497957099176
Energy: 1.9600693163205107
Energy: 2.0349497957078633
Energy: 1.8917526840106578
Energy: 2.11543246313303
Energy: 1.9132823246279869
Energy: 2.1154324631337142
Energy: 1.8895467721850612
Energy: 2.320227919333856
Energy: 1.9124688194566408
Energy: 2.3202279193181723
Energy: 1.9124294012149279
Energy: 2.0478978265801544
Energy: 2.3131330701691466
Energy: 2.0478978265787853
Energy: 1.9618114092473
Energy: 1.956786222511542
Energy: 1.9429453940633736
Energy: 1.956786222514965
Energy: 1.8901277287201095
Energy: 2.004113052350198
Energy: 1.9481307298040555
Energy: 2.0041130523481447
Energy: 1.9825994317212385
Energy: 2.088014142918057
Energy: 1.9124453650013291
Energy: 2.0880141429084724
Energy: 1.9394673383390628
Energy: 2.342982464713958
Energy: 1.8808670201024555
Energy: 2.3429824647098507
Energy: 2.279374460244558
Energy: 2.119048257501256
Energy: 1.9090204148099676
Energy: 2.1190482575005714

minimum gb energy = 1.8799027706770983 eV
minimum distance =  2.21067785806197 Angstroms
sigma value = 89


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

Energy: 1.7790840967354866
Energy: 1.7758002889878746
Energy: 2.2594372737864727
Energy: 1.7758002889878746
Energy: 1.7755820668275282
Energy: 1.8391007478642263
Energy: 1.7808949988572529
Energy: 1.8391007478642263
Energy: 1.786959660925521
Energy: 2.081303220936692
Energy: 2.727858589015878
Energy: 2.081303220936692
Energy: 1.7566030121298586
Energy: 1.8390673147076564
Energy: 1.780748641316562
Energy: 1.8390673147076564
Energy: 1.7783549528837443
Energy: 1.9415395760771899
Energy: 1.778094947868142
Energy: 1.9415395760753984
Energy: 1.7755985216894938
Energy: 1.778044130527043
Energy: 1.7842764939949756
Energy: 1.778044130527043
Energy: 1.786919238567349
Energy: 2.0816188568712035
Energy: 1.7792970476233652
Energy: 2.0816188568712035
Energy: 1.7396053841394103
Energy: 2.083087219419688
Energy: 1.7805290346650764
Energy: 2.0830872194268535
Energy: 1.7788204787839892
Energy: 1.941877997046993
Energy: 1.7494750701158992
Energy: 1.9418779970487843
Energy: 1.8489408325289178
Energy: 1.9328312222875779
Energy: 1.7749429478567276
Energy: 1.93283122229112
Energy: 1.7751581413382143
Energy: 1.841267624775518
Energy: 1.77932854336863
Energy: 1.8412676247737267
Energy: 1.7829285796196082
Energy: 2.080273164531039
Energy: 1.7764642920204632
Energy: 2.080273164531039
Energy: 1.7790711852222434
Energy: 1.7837304089422217
Energy: 1.7370215152811885
Energy: 1.7837304089404713
Energy: 1.7750176422511816
Energy: 1.9382719116673894
Energy: 1.7751600005587103
Energy: 1.9382719116673894
Energy: 1.749771931646652
Energy: 1.783853136936873
Energy: 1.7793463738641835
Energy: 1.783853136936873

minimum gb energy = 1.7370215152811885 eV
minimum distance =  2.2297593592555 Angstroms
sigma value = 13


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

Energy: 1.7050330762910255
Energy: 1.636343853273028
Energy: 2.094996204874752
Energy: 1.6363438532752803
Energy: 2.0552767014114814
Energy: 1.6782236499415617
Energy: 1.6045152706838057
Energy: 1.6782236499378078
Energy: 1.6385107979432458
Energy: 1.636322965095541
Energy: 1.9731590516310404
Energy: 1.6363229650895348
Energy: 1.6369007099640576
Energy: 1.678378992224556
Energy: 1.603879356703616
Energy: 1.6783789922162975
Energy: 1.6388432592267999
Energy: 1.759959333359449
Energy: 1.6408078378877304
Energy: 1.7599593333759667
Energy: 1.6087747486099973
Energy: 1.6793100785873631
Energy: 1.6625463499614896
Energy: 1.679310078583609
Energy: 1.6388736726593078
Energy: 1.7605359688799984
Energy: 2.024263580938288
Energy: 1.760535968885254
Energy: 1.5887267594200816
Energy: 1.6782083766624138
Energy: 1.662677023950526
Energy: 1.6782083766586597
Energy: 1.6392124404370585
Energy: 1.7607446984827806
Energy: 2.1995214137754875
Energy: 1.760744698485033
Energy: 2.0729102603432463
Energy: 1.798912812253076
Energy: 1.6040552645707051
Energy: 1.798912812246319
Energy: 1.6390068592821585
Energy: 1.795011835220521
Energy: 1.6127436730321636
Energy: 1.795011835216767
Energy: 1.674901588051793
Energy: 1.7989917504730297
Energy: 1.6050012138446847
Energy: 1.798991750478285
Energy: 1.7167075553686457
Energy: 1.6674771585724548
Energy: 1.6127008690397069
Energy: 1.667477158567199
Energy: 2.399337576089999
Energy: 1.7981588947356766
Energy: 1.6054846262969145
Energy: 1.798158894737929
Energy: 1.6391795018200432
Energy: 1.636224275337795
Energy: 1.6130729682604041
Energy: 1.6362242753460539
Energy: 1.6303400731855333
Energy: 1.798258975397711
Energy: 1.6060070079351991
Energy: 1.798258975402216
Energy: 1.6287982498516076
Energy: 1.6352310871467384
Energy: 1.607224285482325
Energy: 1.6352310871489908
Energy: 1.6299416605359178
Energy: 1.7600851130771864
Energy: 1.6821987960126688
Energy: 1.7600851130771864
Energy: 1.6294495414640988
Energy: 1.6711627514268679
Energy: 1.6827216349926009
Energy: 1.6711627514298708
Energy: 1.6297147835492691
Energy: 1.671519021591789
Energy: 1.6826767517443182
Energy: 1.671519021599297
Energy: 1.6299997584833834
Energy: 1.7601726797306807
Energy: 1.6830444486201055
Energy: 1.7601726797366872
Energy: 1.628802741264311
Energy: 1.635127896790726
Energy: 1.6069992692104682
Energy: 1.6351278967914762
Energy: 1.6303343189926047
Energy: 1.7983275097698426
Energy: 1.605917082933802
Energy: 1.7983275097698426
Energy: 1.6391953980916658
Energy: 1.636059774910516
Energy: 1.6117429213610455
Energy: 1.6360597749187065
Energy: 2.399204881542399
Energy: 1.7980280946863756
Energy: 1.605545489016675
Energy: 1.7980280946818707
Energy: 1.7161565190309789
Energy: 1.6676977496058298
Energy: 1.608921241991195
Energy: 1.667697749608082
Energy: 1.6744996169562574
Energy: 1.7988607201874298
Energy: 1.6049471726584497
Energy: 1.7988607202039475
Energy: 1.6390366971123507
Energy: 1.7950371709363873
Energy: 1.6088090392843664
Energy: 1.7950371709438953
Energy: 2.0728404671540615
Energy: 1.7988135912737822
Energy: 1.604031952614108
Energy: 1.798813591264022
Energy: 1.6390749263277564
Energy: 1.760652298560462
Energy: 2.0187946497473415
Energy: 1.7606522985597117
Energy: 1.5887343321848792
Energy: 1.6781684980643248
Energy: 1.6626694619375852
Energy: 1.6781684980770881
Energy: 1.6390753434559548
Energy: 1.7608350533844852
Energy: 2.398763368769102
Energy: 1.760835053388239
Energy: 1.6089510430554503
Energy: 1.6792748019771704
Energy: 1.6624965305877004
Energy: 1.679274801974918
Energy: 1.6390680427761355
Energy: 1.7600339378881795
Energy: 1.6749180325899815
Energy: 1.7600339378836745
Energy: 1.6369348172436602
Energy: 1.678156432278621
Energy: 1.6038087954037252
Energy: 1.6781564322831262

minimum gb energy = 1.5887267594200816 eV
minimum distance =  2.24264046813706 Angstroms
sigma value = 37


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

Energy: 1.9758447023722434
Energy: 1.5987623843310448
Energy: 1.432658728070461
Energy: 1.5987623843336285
Energy: 1.8721687346356408
Energy: 1.5568542953770903
Energy: 1.4642960090485786
Energy: 1.5568542953745068
Energy: 1.882222589979918
Energy: 1.7466076470494607
Energy: 1.4582117229785454
Energy: 1.7466076470468772
Energy: 1.8128822889565313
Energy: 1.5577485301718035
Energy: 1.4892701810837388
Energy: 1.557748530174387
Energy: 1.4925826034115384
Energy: 1.556327518522181
Energy: 1.8200754821104133
Energy: 1.5563275185208891
Energy: 1.4641326332420104
Energy: 1.5569293296840385
Energy: 1.8236970975278235
Energy: 1.5569293296866218
Energy: 1.462218470374508
Energy: 1.636776412864848
Energy: 1.8713330293768728
Energy: 1.636776412864848
Energy: 1.4601896835396722
Energy: 1.558664956338305
Energy: 1.555826925658289
Energy: 1.5586649563370134
Energy: 1.475108412060087
Energy: 1.5562872901547848
Energy: 1.8467976824556764
Energy: 1.556287290153493
Energy: 2.262395589865997
Energy: 1.7335427805298613
Energy: 1.8236772135593513
Energy: 1.7335427805311532
Energy: 1.4887454950623427
Energy: 1.6732854284898937
Energy: 1.8125488012630246
Energy: 1.6732854284886018
Energy: 2.3170613145395436
Energy: 1.5577605519580493
Energy: 1.4887571513106448
Energy: 1.5577605519567574
Energy: 1.8226898777335032
Energy: 1.556038392090163
Energy: 1.7869411105592747
Energy: 1.556038392090163
Energy: 2.4791282938018626
Energy: 1.626692618746087
Energy: 1.464894169314018
Energy: 1.6266926187447954
Energy: 1.9207920739482827
Energy: 1.6284496369119101
Energy: 1.4599660348777184
Energy: 1.6284496369132018
Energy: 1.9110817708080967
Energy: 1.5572956696662257
Energy: 1.4665190505495362
Energy: 1.5572956696636422
Energy: 1.8229172807407674
Energy: 1.7317012110278378
Energy: 1.4421624587189112
Energy: 1.731701211023963
Energy: 1.816772578864989
Energy: 1.6745807867947222
Energy: 1.4884902270017484
Energy: 1.6745807867934301
Energy: 1.4892431278414202
Energy: 1.561449945001872
Energy: 1.487654074824319
Energy: 1.5614499450044554
Energy: 1.492133557706455
Energy: 1.557969735593239
Energy: 1.813554026638627
Energy: 1.5579697355958226

minimum gb energy = 1.432658728070461 eV
minimum distance =  2.2485242993002 Angstroms
sigma value = 25


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

Energy: 1.3846990438263624
Energy: 1.3056615971225294
Energy: 2.233663579919079
Energy: 1.3056615971245467
Energy: 1.845353818987046
Energy: 1.3413585603538063
Energy: 1.310970034998835
Energy: 1.3413585603558236
Energy: 1.3037994842654395
Energy: 1.3025919094724072
Energy: 1.24368503518085
Energy: 1.3025919094713987
Energy: 1.275136088557908
Energy: 1.3405124262650956
Energy: 1.3109858376348182
Energy: 1.340512426267113
Energy: 1.3096142791577075
Energy: 1.341583865222134
Energy: 1.2556370604450056
Energy: 1.341583865222134
Energy: 1.2539367119123181
Energy: 1.341407911277513
Energy: 1.3108069073903577
Energy: 1.3414079112765043
Energy: 1.305278240586247
Energy: 1.302006925033909
Energy: 1.2860989695165446
Energy: 1.302006925033909
Energy: 1.2412153682857394
Energy: 1.3833223718628473
Energy: 1.3052757963838126
Energy: 1.3833223718588588
Energy: 1.3098157753096251
Energy: 1.341776298813601
Energy: 2.1052949837880925
Energy: 1.3417762988156188
Energy: 1.2541078533634165
Energy: 1.3030806719414765
Energy: 1.38618867857867
Energy: 1.3030806719394588
Energy: 1.3138629595369133
Energy: 1.3020879516603243
Energy: 2.3564054849761806
Energy: 1.3020879516593158
Energy: 1.9075314256108518
Energy: 1.3827844041568516
Energy: 1.3054165995155205
Energy: 1.382784404158869
Energy: 1.309872057694898
Energy: 1.341479639385371
Energy: 2.0791162192019663
Energy: 1.341479639384362
Energy: 1.9343151992913847
Energy: 1.301995161672785
Energy: 1.311463776101782
Energy: 1.3019951616758108
Energy: 1.3136382042676298
Energy: 1.3019055159695472
Energy: 1.2668884569512007
Energy: 1.3019055159685387
Energy: 1.2844614328247999
Energy: 1.5227217133173272
Energy: 1.3047682231283961
Energy: 1.5227217133193445
Energy: 1.310121675264062
Energy: 1.3827466495353906
Energy: 1.240865379708041
Energy: 1.3827466495353906
Energy: 1.8594632178671622
Energy: 1.3410639148862629
Energy: 1.3110512577095332
Energy: 1.3410639148862629
Energy: 1.3917506942288482
Energy: 1.3023608705647152
Energy: 1.2572131536887488
Energy: 1.3023608705657237
Energy: 2.354014371483636
Energy: 1.5285479921757397
Energy: 1.3049957846322353
Energy: 1.5285479921757397
Energy: 1.3100074929984273
Energy: 1.382348175127196
Energy: 1.2420964839477138
Energy: 1.382348175128205
Energy: 1.302229111336444
Energy: 1.3414512192514911
Energy: 1.3113101675281538
Energy: 1.3414512192524999
Energy: 1.3045081209992373
Energy: 1.3017187618791604
Energy: 1.944616588042644
Energy: 1.3017187618801689
Energy: 1.2611958832363954
Energy: 1.528304969801936
Energy: 1.3050476429471185
Energy: 1.528304969801936
Energy: 1.3089574624478775
Energy: 1.5226489633534668
Energy: 1.922274840331745
Energy: 1.5226489633524578
Energy: 1.2532724381020628
Energy: 1.383103052773589
Energy: 1.3095683043941315
Energy: 1.3831030527745978

minimum gb energy = 1.240865379708041 eV
minimum distance =  2.25079053629539 Angstroms
sigma value = 41


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

Energy: 2.182659250292758
Energy: 1.1831918919261926
Energy: 1.6356106995002422
Energy: 1.1831918919286735
Energy: 2.0581329307487106
Energy: 1.156593381686543
Energy: 1.138876089813112
Energy: 1.1565933816898506
Energy: 1.182849596669204
Energy: 1.1349885685353613
Energy: 1.1003544330639592
Energy: 1.1349885685361882
Energy: 1.5913487689437242
Energy: 1.1583805230743456
Energy: 1.1390588821209233
Energy: 1.1583805230743456
Energy: 1.1340404276876301
Energy: 1.213283545204066
Energy: 1.1096162022926648
Energy: 1.213283545201585
Energy: 1.1234601775573758
Energy: 1.158390710849679
Energy: 1.1387695245720397
Energy: 1.1583907108521594
Energy: 1.1378324101417838
Energy: 1.1570124507147308
Energy: 1.1244385504439187
Energy: 1.1570124507147308
Energy: 1.1108756574101257
Energy: 1.1830482421432833
Energy: 1.1349684077315094
Energy: 1.1830482421424564
Energy: 1.140951540087986
Energy: 1.1827290340107146
Energy: 1.8200153692620633
Energy: 1.1827290340107146
Energy: 1.1041994281555647
Energy: 1.1357486308796814
Energy: 1.1839235281715403
Energy: 1.135748630871412
Energy: 1.137967928537114
Energy: 1.1571064464277083
Energy: 2.454004291499981
Energy: 1.1571064464293621
Energy: 1.1107326927597403
Energy: 1.1837452068959031
Energy: 2.0740984414608987
Energy: 1.1837452068967302
Energy: 1.1412442318214175
Energy: 1.183427435242384
Energy: 2.654319270986837
Energy: 1.183427435244038
Energy: 1.6649673586599494
Energy: 1.3039776408521893
Energy: 1.1837566255990417
Energy: 1.3039776408521893
Energy: 1.138003859369265
Energy: 1.1572027850868627
Energy: 2.0365956607481905
Energy: 1.1572027850835551
Energy: 1.6797567040735497
Energy: 1.1847650797151017
Energy: 1.1350472215285485
Energy: 1.1847650797142746
Energy: 1.1411605411739525
Energy: 1.1822311125433884
Energy: 1.8047866812305293
Energy: 1.1822311125516576
Energy: 1.68394868514313
Energy: 1.3047113144948848
Energy: 1.1388966831722873
Energy: 1.3047113144940579
Energy: 1.1380728425300326
Energy: 1.1826421777409675
Energy: 1.1086140642545534
Energy: 1.1826421777409675
Energy: 1.704671485457964
Energy: 1.1833661812167684
Energy: 1.1351411832257599
Energy: 1.1833661812225196
Energy: 1.1867158120503944
Energy: 1.181691939291047
Energy: 1.101536852208307
Energy: 1.1816919392935277
Energy: 2.4522456732512357
Energy: 1.2124415473965675
Energy: 1.13901435227794
Energy: 1.2124415473982215
Energy: 2.0680393898058225
Energy: 1.1816728680319164
Energy: 1.108121818067983
Energy: 1.1816728680294355
Energy: 2.0754787068041685
Energy: 1.1810459130225612
Energy: 1.136099827931433
Energy: 1.1810459130250421
Energy: 1.1867415639093113
Energy: 1.3008908066319584
Energy: 1.0958144334508337
Energy: 1.3008908066269969
Energy: 2.036385845713005
Energy: 1.2146512530259437
Energy: 1.1389677460201932
Energy: 1.2146512530267708
Energy: 1.1378776740700474
Energy: 1.1822662017957806
Energy: 1.6784374993899351
Energy: 1.1822662017999157
Energy: 1.1442870467349564
Energy: 1.1817951196756145
Energy: 1.1355603316078553
Energy: 1.1817951196838838
Energy: 1.1411360376892068
Energy: 1.3008210012785808
Energy: 1.6806622758890417
Energy: 1.3008210012785808
Energy: 1.1116612008921247
Energy: 1.2453098382467478
Energy: 1.14249250274656
Energy: 1.2453098382450938
Energy: 1.137420584161546
Energy: 1.1818410898180562
Energy: 1.7021332428749045
Energy: 1.1818410898172294
Energy: 1.110062058589362
Energy: 1.1812638002058955
Energy: 1.1912447831148418
Energy: 1.1812638001951452

minimum gb energy = 1.0958144334508337 eV
minimum distance =  2.24683403419029 Angstroms
sigma value = 15


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

Energy: 1.9272450569696795
Energy: 1.049119138810055
Energy: 2.0590209435413076
Energy: 1.0491191388079533
Energy: 2.173075440025765
Energy: 1.044723834098627
Energy: 1.0469974017804662
Energy: 1.0447238341014289
Energy: 1.0851101678828903
Energy: 1.0441088621095347
Energy: 0.9986299625031183
Energy: 1.0441088621109358
Energy: 1.8151926309077169
Energy: 1.044950244476882
Energy: 1.047070252999276
Energy: 1.0449502444712777
Energy: 1.0434037028491532
Energy: 1.0472224260012544
Energy: 0.99863927409874
Energy: 1.047222426009597
Energy: 1.4139154278416577
Energy: 1.045821791929395
Energy: 1.047248153227283
Energy: 1.045821791926593
Energy: 1.04625141419357
Energy: 1.06412840805183
Energy: 1.0126150807785508
Energy: 1.0641284080559696
Energy: 1.01315674134649
Energy: 1.0648014717406182
Energy: 1.0469571890813356
Energy: 1.0648014717406182
Energy: 1.0491219333199873
Energy: 1.0659055979809138
Energy: 1.6122518568712274
Energy: 1.0659055979774108
Energy: 1.004767854839613
Energy: 1.046397131495382
Energy: 1.0443028183621603
Energy: 1.046397131495382
Energy: 1.0463458096734575
Energy: 1.0454307402602454
Energy: 1.8153048312719544
Energy: 1.0454307402588443
Energy: 1.0015847771546862
Energy: 1.0444559100342459
Energy: 1.0861562951018113
Energy: 1.0444559100335455
Energy: 1.0489591687273871
Energy: 1.0662399192367429
Energy: 2.5127437214212915
Energy: 1.0662399192346412
Energy: 1.005331101155369
Energy: 1.04535844089423
Energy: 1.8491628774369724
Energy: 1.0453584408969683
Energy: 1.0467158608312779
Energy: 1.0444076573549925
Energy: 2.5200106030003178
Energy: 1.0444076573570942
Energy: 1.4851896864178453
Energy: 1.0446151203050238
Energy: 1.0860892388504177
Energy: 1.0446151203022218
Energy: 1.0490102519681446
Energy: 1.0653450150952966
Energy: 2.5026932002892193
Energy: 1.065345015094596
Energy: 1.4940269959492312
Energy: 1.0446264512436143
Energy: 1.0444709676791173
Energy: 1.044626451245716
Energy: 1.0461442416646884
Energy: 1.0443849725140761
Energy: 1.799666125761542
Energy: 1.0443849725196803
Energy: 1.4908710981361848
Energy: 1.0451323898914158
Energy: 1.0469091867112263
Energy: 1.0451323898977207
Energy: 1.0489230922156099
Energy: 1.0858134128382266
Energy: 1.7873151914280845
Energy: 1.0858134128396277
Energy: 1.5093876609961896
Energy: 1.0642149953581144
Energy: 1.0514051411373473
Energy: 1.064214995363018
Energy: 1.0462892456653696
Energy: 1.0450874548119002
Energy: 1.0013206850364538
Energy: 1.0450874548090983
Energy: 1.8141640955612455
Energy: 1.0461799269927623
Energy: 1.0470064070052039
Energy: 1.0461799269878584
Energy: 1.0881304898726658
Energy: 1.0859818639963685
Energy: 0.993654919609504
Energy: 1.0859818640012722
Energy: 2.1847203900512437
Energy: 1.0642803265915959
Energy: 1.0515187701337954
Energy: 1.0642803265936975
Energy: 1.8484964000743906
Energy: 1.0446187851089805
Energy: 1.001732920418423
Energy: 1.044618785115986
Energy: 2.5162960489172006
Energy: 1.0454369994442407
Energy: 1.0467958892740308
Energy: 1.0454369994463424
Energy: 1.0878003528498128
Energy: 1.0841901904147366
Energy: 0.9938644587506218
Energy: 1.0841901904105333
Energy: 1.8237812809192164
Energy: 1.0641067011911247
Energy: 1.0515895268710276
Energy: 1.0641067011834187
Energy: 1.0464853259270959
Energy: 1.0434459097891131
Energy: 1.4910438694247146
Energy: 1.0434459097912148
Energy: 1.8004670731818617
Energy: 1.0442993129268536
Energy: 1.0469484471975994
Energy: 1.0442993129233509
Energy: 1.0488617662871744
Energy: 1.0843805352032625
Energy: 1.4959677375144322
Energy: 1.0843805352011608
Energy: 1.0181179306185009
Energy: 1.0854603295836716
Energy: 1.051561492793653
Energy: 1.0854603295850727
Energy: 1.017487879275008
Energy: 1.0435269516082057
Energy: 1.5142240925446533
Energy: 1.0435269516187138
Energy: 0.9994999922227765
Energy: 1.0445096153242466
Energy: 1.0491958443831637
Energy: 1.0445096153312519
Energy: 1.0491125753102797
Energy: 1.183812642190835
Energy: 2.2376172155921226
Energy: 1.1838126421845303

minimum gb energy = 0.993654919609504 eV
minimum distance =  2.24875300936545 Angstroms
sigma value = 85


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

Energy: 1.888340387445603
Energy: 1.0367284828239616
Energy: 0.7552939188116224
Energy: 1.0367284828233538
Energy: 2.4191265738637022
Energy: 1.0151674335458016
Energy: 0.9576179757124852
Energy: 1.015167433545194
Energy: 1.835972440929853
Energy: 1.030791422299012
Energy: 0.30991282266984305
Energy: 1.0307914223050876
Energy: 2.1055405822243864
Energy: 1.012942595918071
Energy: 0.9576000759566063
Energy: 1.0129425959144256
Energy: 1.2027013558285473
Energy: 0.9712559836073796
Energy: 0.532378021199608
Energy: 0.9712559836031267
Energy: 1.7911706949740613
Energy: 1.0308281460332336
Energy: 0.957515676527826
Energy: 1.0308281460332336
Energy: 1.1468871425685225
Energy: 1.0460849412307054
Energy: 1.0916774929816027
Energy: 1.0460849412300979
Energy: 1.748924985493118
Energy: 1.012558485303615
Energy: 0.972213947922474
Energy: 1.0125584853023997
Energy: 0.9715011626072299
Energy: 0.9843985528938461
Energy: 1.5994912527523286
Energy: 0.9843985528926309
Energy: 1.4092123261383247
Energy: 1.0294919551776591
Energy: 1.1383524830011866
Energy: 1.0294919551734063
Energy: 0.9593921186038467
Energy: 1.0128087539604047
Energy: 1.7919215678150282
Energy: 1.0128087539604047
Energy: 1.0599096073986283
Energy: 1.0140536172730985
Energy: 1.1943265660982854
Energy: 1.0140536172724908
Energy: 0.9569731069240622
Energy: 0.9824526002869625
Energy: 2.2493949801614748
Energy: 0.982452600286355
Energy: 0.8806098445028658
Energy: 1.0314791049229382
Energy: 1.8216793350799594
Energy: 1.0314791049223306
Energy: 0.9590261683605791
Energy: 1.0129570369936638
Energy: 2.695074103809486
Energy: 1.0129570369924488
Energy: 0.8817842001831332
Energy: 1.0182882545021903
Energy: 1.7154734063850707
Energy: 1.0182882545040128
Energy: 0.9570575926365009
Energy: 0.9844739397476672
Energy: 2.6848905611594573
Energy: 0.9844739397525276
Energy: 1.3028293352937976
Energy: 1.0312952333456162
Energy: 1.8217270605544453
Energy: 1.031295233348654
Energy: 0.9591004887805772
Energy: 1.0133727826370533
Energy: 2.3804763588378584
Energy: 1.0133727826352306
Energy: 1.3182773374697674
Energy: 1.0139296479549285
Energy: 1.1940365505198522
Energy: 1.0139296479482727
Energy: 0.9581876919643573
Energy: 0.9978944776885893
Energy: 2.213513212249689
Energy: 0.9978944776843639
Energy: 1.4936539656789871
Energy: 1.0130767002400811
Energy: 1.137822608252256
Energy: 1.013076700245549
Energy: 0.9748928972986273
Energy: 1.0117123847913894
Energy: 1.7434294265622219
Energy: 1.0117123847998952
Energy: 1.521203162827769
Energy: 1.0438347930411984
Energy: 0.9722684292285287
Energy: 1.0438347930369456
Energy: 1.1387411045662794
Energy: 1.0119454506749355
Energy: 1.4108725498892352
Energy: 1.011945450673113
Energy: 1.7936383606182993
Energy: 1.0130649691764788
Energy: 0.9619298080362875
Energy: 1.0130649691770586
Energy: 1.1940812291907275
Energy: 1.0117177084352176
Energy: 1.0595609343589454
Energy: 1.0117177084273192
Energy: 2.097058315806496
Energy: 1.0436749677127015
Energy: 0.9576773458952489
Energy: 1.0436749677139163
Energy: 1.822161510582573
Energy: 1.0333010776907678
Energy: 1.0516932563795416
Energy: 1.033301077691983
Energy: 2.7028890849335214
Energy: 1.0130840095056604
Energy: 0.9620248334764613
Energy: 1.0130840095238598
Energy: 1.8751659664035256
Energy: 1.028873936116289
Energy: 0.8791190022439925
Energy: 1.0288739361096335
Energy: 2.4141769554813486
Energy: 1.0435970964330175
Energy: 0.9579693229952304
Energy: 1.043597096433625
Energy: 1.8269448537002526
Energy: 1.0283516455338133
Energy: 0.8801589464209315
Energy: 1.0283516455338133
Energy: 2.3806539013039902
Energy: 1.0116236385403063
Energy: 0.96193644415155
Energy: 1.0116236385372686
Energy: 1.19412296163089
Energy: 1.0114150672999933
Energy: 1.3223286330195587
Energy: 1.0114150673006008
Energy: 1.7766058775757119
Energy: 1.0603075635871217
Energy: 0.9598763649922258
Energy: 1.0603075635859063
Energy: 1.1385996462369163
Energy: 1.0111796222937621
Energy: 1.4924157397423232
Energy: 1.0111796222980152
Energy: 1.7433703860013128
Energy: 1.0112717345143543
Energy: 0.9761848779660562
Energy: 1.0112717345161768
Energy: 0.9742680406117942
Energy: 1.0109899655459196
Energy: 1.520384596202064
Energy: 1.0109899655434893
Energy: 1.0889216549326473
Energy: 1.0754487591705804
Energy: 1.1393726307991727
Energy: 1.0754487591705804
Energy: 0.9561917468737557
Energy: 1.0111309529001817
Energy: 2.1494583923533535
Energy: 1.0111309529020043
Energy: 1.058980530099798
Energy: 1.0113142111859337
Energy: 1.1948999390778416
Energy: 1.0113142111859337
Energy: 0.9597496400530928
Energy: 1.0117101263913157
Energy: 2.1710070961689585
Energy: 1.011710126393746

minimum gb energy = 0.30991282266984305 eV
minimum distance =  2.2578348962571 Angstroms
sigma value = 113


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

Energy: 0.019564530875363036
Energy: 0.020548785647642228
Energy: 1.40620200781975
Energy: 0.020548785646708086
Energy: 1.1970539466410022
Energy: 0.37157833158331854
Energy: 0.37076156328614884
Energy: 0.37157833158238446
Energy: 0.019564530875363036
Energy: 0.0205487856480574
Energy: 1.4062020078147162
Energy: 0.020548785646708086
Energy: 1.197053946640535
Energy: 0.37157833158331854
Energy: 0.37076119847934447
Energy: 0.37157833158191733
Energy: 0.019564530875363036
Energy: 0.020548785647642228
Energy: 1.40620200781975
Energy: 0.020548785647175154
Energy: 1.1970539466410022
Energy: 0.37157833158191733
Energy: 0.370761373521881
Energy: 0.37157833158191733

minimum gb energy = 0.019564530875363036 eV
minimum distance =  2.47538044710598 Angstroms
sigma value = 1