Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001
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=3.917371571063995
cohesive_energy=5.770453839400052
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: 0.01901483802277778
Energy: 0.019664295219776567
Energy: 0.019990476349730023
Energy: 0.019664295219242435
Energy: 0.019664295219242435
Energy: 1.2791860680003926
Energy: 0.019664295219776567
Energy: 1.2791860680003926
Energy: 0.019990476350234473
Energy: 0.019664295219776567
Energy: 0.01901483802277778
Energy: 0.019664295219776567
Energy: 0.019664295219776567
Energy: 1.2791860680003926
Energy: 0.019664295219776567
Energy: 1.2791860680003926

minimum gb energy = 0.01901483802277778 eV
minimum distance =  2.6992720346482 Angstroms
sigma value = 1


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

Energy: 1.9102665636708334
Energy: 1.8057025482101978
Energy: 1.638050496870089
Energy: 1.8057025482108455
Energy: 1.8330983739361786
Energy: 2.100469867666389
Energy: 1.7554634932119757
Energy: 2.100469867666389
Energy: 1.614659576282466
Energy: 1.8310721956379417
Energy: 1.8969308107431362
Energy: 1.8310721956379417
Energy: 1.786937837916468
Energy: 2.1785463164401486
Energy: 1.670058699446789
Energy: 2.1785463164407965
Energy: 1.791677628657287
Energy: 1.8606234943765405
Energy: 1.7217401298712616
Energy: 1.8606234943765405
Energy: 1.6580227508430279
Energy: 2.281928049467383
Energy: 1.598019347367094
Energy: 2.281928049467383
Energy: 1.8291354707427503
Energy: 2.0664959197582196
Energy: 1.8956493439281923
Energy: 2.066495919758867
Energy: 1.5874487532257986
Energy: 1.8603859495857804
Energy: 1.5523834832800048
Energy: 1.8603859495857804
Energy: 1.5183488976962012
Energy: 2.3500271884039727
Energy: 2.0371119480752387
Energy: 2.3500271884046207
Energy: 1.6835731946959447
Energy: 1.763417970958732
Energy: 1.5847603626744078
Energy: 1.763417970958732
Energy: 1.9643143693332976
Energy: 2.335735765115189
Energy: 1.5501929156738383
Energy: 2.335735765115837
Energy: 1.5782073200263156
Energy: 2.046855822421353
Energy: 1.6945110440619597
Energy: 2.0468558224239444
Energy: 1.8054600317736669
Energy: 2.0250716375284936
Energy: 1.904573803360759
Energy: 2.0250716375291415
Energy: 1.793846834818913
Energy: 2.0663138145722586
Energy: 1.6824187783177027
Energy: 2.0663138145729065
Energy: 1.967596715125539
Energy: 2.0778161337230983
Energy: 2.093438355310687
Energy: 2.0778161337230983
Energy: 1.7085403417063183
Energy: 2.090643528521206
Energy: 2.1031120346570527
Energy: 2.090643528521206
Energy: 1.8971105157831496
Energy: 1.928838084823285
Energy: 1.6326240855120047
Energy: 1.928838084822637
Energy: 1.7548072353941007
Energy: 2.0641180143975233
Energy: 1.906154022705362
Energy: 2.0641180143975233
Energy: 1.4534050340376612
Energy: 1.8349456245027125
Energy: 1.6923509475665188
Energy: 1.8349456245027125
Energy: 1.9087673076077278
Energy: 2.3485563906806406
Energy: 1.5499271252078601
Energy: 2.3485563906806406
Energy: 1.6873984007998633
Energy: 1.8229924358842318
Energy: 1.607930739792856
Energy: 1.8229924358848797
Energy: 1.5786007239313342
Energy: 2.3151557877831332
Energy: 1.8571966015552632
Energy: 2.3151557877831332
Energy: 1.8120294608063132
Energy: 2.0689221774113373
Energy: 1.8853294168947952
Energy: 2.0689221774113373
Energy: 1.7240719693597624
Energy: 2.0686302431930805
Energy: 1.9007497166486194
Energy: 2.0686302431930805
Energy: 1.757398848583673
Energy: 2.280945125859208
Energy: 1.9256728250265782
Energy: 2.280945125859208
Energy: 1.7292023741640725
Energy: 1.86036713668678
Energy: 1.5687360974213365
Energy: 1.86036713668678
Energy: 1.8217518065084048
Energy: 2.2078597564186104
Energy: 1.5058045616690325
Energy: 2.2078597564186104
Energy: 1.5620670220590582
Energy: 1.7955990663478818
Energy: 1.8922929035640719
Energy: 1.7955990663472339
Energy: 1.836122061991308
Energy: 2.101875709259326
Energy: 1.727283717131885
Energy: 2.1018757092586786
Energy: 1.9121760681791986
Energy: 1.9423465553647419
Energy: 1.6674681193984182
Energy: 1.9423465553653896
Energy: 1.822900075583225
Energy: 2.080679879159772
Energy: 1.8054422548311815
Energy: 2.080679879159772
Energy: 1.6807637068927377
Energy: 1.83117777828272
Energy: 1.7937989699656909
Energy: 1.83117777828272
Energy: 1.7920184292281809
Energy: 2.176700250174072
Energy: 1.8119560051793342
Energy: 2.1767002501734245

minimum gb energy = 1.4534050340376612 eV
minimum distance =  2.54414466981817 Angstroms
sigma value = 1


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

Energy: 2.064011634856852
Energy: 2.1405803555115774
Energy: 1.74356900381482
Energy: 2.1405803555108394
Energy: 1.8395898842108562
Energy: 2.1449833603019477
Energy: 1.9183044308050008
Energy: 2.144983360300471
Energy: 1.9047557364144676
Energy: 2.0432657332726274
Energy: 1.8099166497129058
Energy: 2.0432657332726274
Energy: 1.7019965564099226
Energy: 2.258585983498015
Energy: 1.6426841864794215
Energy: 2.2585859834972766
Energy: 1.7019545729086942
Energy: 1.9538470473154583
Energy: 1.8839730194336757
Energy: 1.9538470473139813
Energy: 1.7390993735532305
Energy: 2.0784527430144664
Energy: 2.0743403198286754
Energy: 2.0784527430152053
Energy: 1.726389364347601
Energy: 2.253332677831424
Energy: 1.9076062095509076
Energy: 2.253332677829208
Energy: 1.6754584168872089
Energy: 1.9964687949794626
Energy: 1.6747548179143539
Energy: 1.9964687949809399
Energy: 1.566076868900006
Energy: 2.185955192189597
Energy: 1.9134901263648865
Energy: 2.185955192189597
Energy: 1.8014022020176694
Energy: 1.996297269945594
Energy: 1.631643827971527
Energy: 1.996297269945594
Energy: 1.9225896850631656
Energy: 2.049405540292989
Energy: 1.8187335062630383
Energy: 2.049405540292989
Energy: 1.6281260363667203
Energy: 2.1053332684621267
Energy: 1.8090921893927558
Energy: 2.1053332684636032
Energy: 1.9552285459902234
Energy: 2.1462951987809613
Energy: 1.8389172957850077
Energy: 2.1462951987816994
Energy: 1.9554929799804754
Energy: 2.146303461592808
Energy: 1.7186591701764578
Energy: 2.1463034615913306
Energy: 1.6279847623823722
Energy: 2.1052454076993494
Energy: 1.876459071609828
Energy: 2.1052454076993494
Energy: 1.9225820933301478
Energy: 2.0498625799034795
Energy: 1.782589741961867
Energy: 2.0498625799034795
Energy: 1.8014041010407373
Energy: 1.9962430196204073
Energy: 1.5534773294482516
Energy: 1.9962430196167142
Energy: 1.566085444230189
Energy: 2.1859087467923235
Energy: 1.913345931397537
Energy: 2.1859087467945395
Energy: 1.6754063951955924
Energy: 1.9964591753674714
Energy: 1.6255133320660724
Energy: 1.99645917536821
Energy: 1.7265490930633003
Energy: 2.252801668807786
Energy: 1.821241569027215
Energy: 2.2528016688085244
Energy: 1.7393397768602226
Energy: 2.0785101400355344
Energy: 1.65861720212273
Energy: 2.0785101400377504
Energy: 1.70206614087689
Energy: 1.9538607559689256
Energy: 1.8390442491137393
Energy: 1.9538607559667098
Energy: 1.7020140462530349
Energy: 2.258516689577463
Energy: 1.6909812619106126
Energy: 2.25851668957377
Energy: 1.9044324386583287
Energy: 2.042986311190557
Energy: 1.87617188029599
Energy: 2.0429863111935114
Energy: 1.8395614649839092
Energy: 2.1449679170843354
Energy: 1.9181461027794378
Energy: 2.144967917085074
Energy: 2.0640116348561803
Energy: 2.1405803555108394
Energy: 1.7515708707897728
Energy: 2.1405803555108394
Energy: 1.8395898842101177
Energy: 2.1449833603019477
Energy: 1.9183044308057395
Energy: 2.144983360300471
Energy: 1.904755736413729
Energy: 2.043265733274105
Energy: 1.8099166497151216
Energy: 2.0432657332733664
Energy: 1.7019965564106612
Energy: 2.258585983498015
Energy: 1.6426841864801598
Energy: 2.2585859834972766

minimum gb energy = 1.5534773294482516 eV
minimum distance =  2.53581667623157 Angstroms
sigma value = 25


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

Energy: 1.9784463980391842
Energy: 1.9144646455584768
Energy: 1.8450907285353157
Energy: 1.9144646455576184
Energy: 1.9824446235637123
Energy: 2.1924560079138735
Energy: 1.833685388373313
Energy: 2.1924560079138735
Energy: 1.748932486320287
Energy: 2.142541263180058
Energy: 1.7653663881999546
Energy: 2.142541263180058
Energy: 1.7602437943618516
Energy: 2.3111348754181735
Energy: 1.8856012383736271
Energy: 2.3111348754181735
Energy: 2.1543805759371857
Energy: 2.021980308002414
Energy: 1.953989479804645
Energy: 2.021980308001555
Energy: 1.8666790814279
Energy: 2.0508357014086274
Energy: 2.169927333451853
Energy: 2.0508357014086274
Energy: 1.9979521003149152
Energy: 1.7719882653003278
Energy: 1.8845840848808428
Energy: 1.7719882653029035
Energy: 1.9719681062109493
Energy: 2.060273893630344
Energy: 1.7914587395077257
Energy: 2.060273893629524
Energy: 1.6759299325866766
Energy: 2.0602366330826
Energy: 2.1900441379855176
Energy: 2.0602366330826
Energy: 1.9544135678866696
Energy: 2.3138042091993767
Energy: 1.7326503957880466
Energy: 2.3138042091993767
Energy: 1.979158878936879
Energy: 2.1987449076713803
Energy: 2.064288057313834
Energy: 2.198744907672239
Energy: 2.0416255001139243
Energy: 2.182673346527679
Energy: 2.052076758176044
Energy: 2.182673346527679
Energy: 1.819062534711133
Energy: 2.174161298077142
Energy: 1.7335655926924909
Energy: 2.1741612980762834
Energy: 2.131031712976314
Energy: 2.0979620970568793
Energy: 2.0855625886132505
Energy: 2.0979620970585966
Energy: 1.6607128128647382
Energy: 2.014104885840354
Energy: 1.7873565550607502
Energy: 2.014104885840354
Energy: 2.074291615425129
Energy: 1.7959463750890412
Energy: 1.9454355783261739
Energy: 1.7959463750890412
Energy: 1.6936912159100896
Energy: 2.1121896971168423
Energy: 1.7802579319488003
Energy: 2.1121896971168423
Energy: 2.027070272795576
Energy: 2.023759717617886
Energy: 1.7781827251364726
Energy: 2.023759717618745
Energy: 1.7300825372881792
Energy: 2.3096828859849086
Energy: 1.8857678177950765
Energy: 2.30968288598405
Energy: 1.9795806234067586
Energy: 2.0973115344835787
Energy: 1.8380976728867082
Energy: 2.097311534484437
Energy: 1.8432316687644819
Energy: 2.1937941429986894
Energy: 1.8545720093998768
Energy: 2.1937941429978314
Energy: 1.9807324874711663
Energy: 2.170227725865719
Energy: 1.9086401799969483
Energy: 2.170227725866578
Energy: 2.003063039062274
Energy: 2.220269226352048
Energy: 2.0158402561589974
Energy: 2.220269226352048
Energy: 2.061293827671375
Energy: 2.142314087779262
Energy: 1.9544689781029023
Energy: 2.1423140877801203
Energy: 2.1713043533278698
Energy: 2.3099790392389155
Energy: 1.7272822823581793
Energy: 2.3099790392389155

minimum gb energy = 1.6607128128647382 eV
minimum distance =  2.5479535248634 Angstroms
sigma value = 9


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

Energy: 2.2883992888926032
Energy: 2.2036702727604784
Energy: 1.9497084774198299
Energy: 2.2036702727604784
Energy: 1.975763763047159
Energy: 2.275426575491736
Energy: 1.8766644172406652
Energy: 2.2754265754927605
Energy: 1.8659735811193567
Energy: 2.233341307960992
Energy: 1.9230166314094987
Energy: 2.233341307962016
Energy: 2.042739531322978
Energy: 2.1939914342844746
Energy: 2.117253676355328
Energy: 2.1939914342854996
Energy: 2.0437399032555685
Energy: 2.094191377327753
Energy: 2.2470400661388754
Energy: 2.0941913773287775
Energy: 1.8379584742790736
Energy: 1.9450897646306373
Energy: 2.0954147481610184
Energy: 1.9450897646316618
Energy: 2.0401879304713635
Energy: 1.959258919425492
Energy: 2.2633546410775365
Energy: 1.9592589194234438
Energy: 1.8133595282352857
Energy: 1.9447291354949792
Energy: 1.9880800721871579
Energy: 1.9447291354939549
Energy: 1.9357718922785732
Energy: 2.2081262420444254
Energy: 1.819212254537234
Energy: 2.208126242045449
Energy: 1.9131977997796161
Energy: 2.203014910927205
Energy: 2.2167893774906076
Energy: 2.2030149109282293
Energy: 1.8947422747474674
Energy: 2.2632651512850326
Energy: 1.8665540083946144
Energy: 2.2632651512850326
Energy: 2.0714238142585257
Energy: 2.2379358558715543
Energy: 2.082122660522904
Energy: 2.2379358558705307
Energy: 1.96672944161402
Energy: 2.161039110451563
Energy: 1.6152272634368623
Energy: 2.161039110450539
Energy: 1.709580387070708
Energy: 2.138518263149874
Energy: 1.9417492326487298
Energy: 2.1385182631488497
Energy: 1.9667717209276183
Energy: 2.364912358118761
Energy: 1.80174486383226
Energy: 2.364912358118761
Energy: 2.2629311955759426
Energy: 2.180668493146991
Energy: 2.3565094516535363
Energy: 2.1806684931480156
Energy: 1.9440940810338023
Energy: 2.185979923261299
Energy: 1.9231106528416193
Energy: 2.185979923261299
Energy: 2.034478825282643
Energy: 2.0336856047351026
Energy: 2.361910982923708
Energy: 2.0336856047351026
Energy: 2.2992111862432787
Energy: 2.1098266809774957
Energy: 2.016702376763898
Energy: 2.1098266809785198
Energy: 1.8283707369908557
Energy: 1.922016948323817
Energy: 1.9881668007216935
Energy: 1.922016948323817
Energy: 1.9858652320240016
Energy: 2.1344656889345512
Energy: 2.0642055116808082
Energy: 2.1344656889345512

minimum gb energy = 1.6152272634368623 eV
minimum distance =  2.5826821977545 Angstroms
sigma value = 25


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

Energy: 2.062923802677081
Energy: 2.166037987422495
Energy: 1.9574801565156354
Energy: 2.166037987422495
Energy: 1.8623318778341271
Energy: 2.311525881773483
Energy: 2.067150165626975
Energy: 2.311525881773483
Energy: 2.5143362230914206
Energy: 2.2218449284540696
Energy: 1.8922018652161874
Energy: 2.2218449284540696
Energy: 2.6927454413364558
Energy: 2.131921694846
Energy: 2.082279087984016
Energy: 2.131921694846
Energy: 1.9229375349691213
Energy: 2.0425602847519175
Energy: 2.0546425486099102
Energy: 2.0425602847519175
Energy: 1.8693209215805013
Energy: 2.222796858029592
Energy: 2.340742478745124
Energy: 2.222796858029592
Energy: 2.1235070625337693
Energy: 2.3237789774892517
Energy: 1.8754358972927065
Energy: 2.3237789774892517
Energy: 2.1964025875910402
Energy: 2.1938071560496235
Energy: 1.8873391224202893
Energy: 2.1938071560496235
Energy: 1.8921527778378757
Energy: 2.292203622394337
Energy: 1.8708165093610274
Energy: 2.292203622394337
Energy: 2.2750434517026843
Energy: 2.3559788586408366
Energy: 2.055694186063748
Energy: 2.3559788586408366
Energy: 1.812043843811586
Energy: 2.1350247857186115
Energy: 2.148206445895831
Energy: 2.1350247857186115
Energy: 2.1541274404895057
Energy: 1.7319142516659567
Energy: 2.098834492421268
Energy: 1.73191425166469
Energy: 1.9578453734722436
Energy: 2.1938781748403122
Energy: 2.0468022496145255
Energy: 2.1938781748403122
Energy: 2.1169978313368887
Energy: 2.324722364704194
Energy: 2.175806491523793
Energy: 2.324722364705461
Energy: 2.116998603395789
Energy: 2.1939606485272294
Energy: 2.102849514781961
Energy: 2.193960648525963
Energy: 2.0297712056575534
Energy: 2.1935301360313706
Energy: 1.869352650985911
Energy: 2.1935301360313706
Energy: 2.151148530436117
Energy: 2.173968751618917
Energy: 2.099648676232882
Energy: 2.173968751618917

minimum gb energy = 1.73191425166469 eV
minimum distance =  2.58252376178188 Angstroms
sigma value = 17


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

Energy: 2.1837706041881786
Energy: 2.2254513145068215
Energy: 2.2971278268093394
Energy: 2.2254513145068215
Energy: 2.215483240140056
Energy: 2.1214740041513567
Energy: 2.103125083630432
Energy: 2.121474004149922
Energy: 2.536749647905722
Energy: 2.198847370080382
Energy: 1.985316492606642
Energy: 2.1988473700782305
Energy: 2.0812107408734546
Energy: 2.3007124587362986
Energy: 2.0881109464277023
Energy: 2.3007124587362986
Energy: 2.206323046933502
Energy: 2.012374755456389
Energy: 2.19201364002562
Energy: 2.012374755454954
Energy: 1.9831551265899503
Energy: 2.1106052317995543
Energy: 2.3682389304144458
Energy: 2.1106052317988366
Energy: 1.9899297662557158
Energy: 2.367452728402166
Energy: 2.028431068321621
Energy: 2.3674527284028835
Energy: 2.0929798255983876
Energy: 2.1477400898646812
Energy: 1.9858564609776919
Energy: 2.147740089863964
Energy: 2.132583840134262
Energy: 2.231459205329526
Energy: 2.099144344641575
Energy: 2.231459205330243
Energy: 2.328008268954715
Energy: 2.2431684423790843
Energy: 2.076087639373128
Energy: 2.2431684423790843
Energy: 1.9783936401388642
Energy: 2.2378330096513706
Energy: 2.3651606399553984
Energy: 2.2378330096506533
Energy: 2.1357638094391493
Energy: 2.0373731156839954
Energy: 2.0369099888109488
Energy: 2.037373115683278
Energy: 2.5549003243055557
Energy: 2.244190230513066
Energy: 2.0104918193673624
Energy: 2.244190230513066
Energy: 1.981350306947568
Energy: 2.2649844879365695
Energy: 2.1697152970239197
Energy: 2.2649844879358523
Energy: 2.1420819355219454
Energy: 2.32043131159893
Energy: 2.2684262214704503
Energy: 2.32043131159893
Energy: 2.097865537798836
Energy: 2.318317406676999
Energy: 1.977478675501421
Energy: 2.318317406676999
Energy: 2.125452130256623
Energy: 2.08546523318829
Energy: 2.2074494261575595
Energy: 2.08546523318829
Energy: 2.3081877529383164
Energy: 2.1950895400696044
Energy: 1.9832188665797845
Energy: 2.1950895400703216
Energy: 1.9367288952349992
Energy: 2.2420862083397095
Energy: 2.0831465895503576
Energy: 2.2420862083404267
Energy: 2.112012686073669
Energy: 2.0565417621495254
Energy: 2.2570631690172
Energy: 2.056541762136678
Energy: 1.9777950701307718
Energy: 2.2121377209780504
Energy: 2.183028264817703
Energy: 2.2121377209794852
Energy: 1.9915862347764524
Energy: 2.267950031805287
Energy: 2.3282418478724662
Energy: 2.267950031805287
Energy: 2.023452414580829
Energy: 2.2234529509238703
Energy: 1.9712862861538625
Energy: 2.2234529509245875
Energy: 2.1168656723871133
Energy: 2.3677615243261787
Energy: 2.192191377899349
Energy: 2.3677615243261787
Energy: 2.1123876790257867
Energy: 2.39980093641872
Energy: 2.52582993944479
Energy: 2.39980093641872
Energy: 2.1503216182942007
Energy: 2.211202852302286
Energy: 1.9822951605984092
Energy: 2.211202852302286
Energy: 2.0761990314911056
Energy: 2.246625755559643
Energy: 2.3395085186845095
Energy: 2.246625755558926
Energy: 1.9770287727584306
Energy: 2.3149130968279157
Energy: 2.090730445229372
Energy: 2.3149130968271985
Energy: 2.294088082016001
Energy: 2.525083572877037
Energy: 2.0847042765624857
Energy: 2.525083572877037
Energy: 1.9857388693970413
Energy: 2.2393617773100942
Energy: 2.0163557145516506
Energy: 2.239361777310811

minimum gb energy = 1.9367288952349992 eV
minimum distance =  2.51891834991513 Angstroms
sigma value = 53


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

Energy: 1.7250609264585905
Energy: 2.1451890912166887
Energy: 2.341528275409668
Energy: 2.1451890912166887
Energy: 2.283917776097701
Energy: 2.4133732784524025
Energy: 1.9507205491955923
Energy: 2.4133732784524025
Energy: 2.024413272721772
Energy: 1.6620380815136013
Energy: 2.012442109450582
Energy: 1.6620380815169047
Energy: 2.024471932071301
Energy: 1.6622081877870483
Energy: 1.8311205974811275
Energy: 1.6622081877887
Energy: 2.2840670080301697
Energy: 2.4131004100799416
Energy: 1.9962245688164102
Energy: 2.41310041007829
Energy: 1.7250609264585905
Energy: 2.1451890912166887
Energy: 2.4511761889296304
Energy: 2.1451890912166887
Energy: 2.283917776099352
Energy: 2.4133732784524025
Energy: 1.9783084840607408
Energy: 2.4133732784524025
Energy: 2.024413272721772
Energy: 1.662038081515253
Energy: 2.012442108191033
Energy: 1.662038081515253
Energy: 2.024471932071301
Energy: 1.6622081877870483
Energy: 1.9254349223600042
Energy: 1.6622081877887
Energy: 2.2840670080301697
Energy: 2.41310041007829
Energy: 2.0381305837417467
Energy: 2.41310041007829
Energy: 1.725060926460242
Energy: 2.1451890912166887
Energy: 2.4511761889296304
Energy: 2.1451890912166887
Energy: 2.283917776097701
Energy: 2.4133732784524025
Energy: 1.9438139608297906
Energy: 2.4133732784524025
Energy: 2.024413272721772
Energy: 1.662038081515253
Energy: 2.012442106812612
Energy: 1.6620380815136013

minimum gb energy = 1.6620380815136013 eV
minimum distance =  2.55255071770308 Angstroms
sigma value = 9


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

Energy: 1.7891188890720868
Energy: 2.2609507759947376
Energy: 2.5348022112150073
Energy: 2.260950775995348
Energy: 2.5191950336911484
Energy: 1.950230878636777
Energy: 2.0792362210596194
Energy: 1.9502308785243614
Energy: 2.0775455447460573
Energy: 2.3159676718387394
Energy: 1.9785127619144505
Energy: 2.3159676718387394
Energy: 2.366737228132982
Energy: 2.321037882006856
Energy: 2.0594036551540835
Energy: 2.3210378820044664
Energy: 2.3661526907708272
Energy: 2.0397702057432543
Energy: 2.116104863538641
Energy: 2.0397702057432543
Energy: 1.7821817926243362
Energy: 2.2040118272382183
Energy: 2.4677777070759146
Energy: 2.204011827238829
Energy: 2.6000696575478868
Energy: 2.471834274297825
Energy: 2.3341300288877567
Energy: 2.471834274297825
Energy: 2.1152637223840043
Energy: 2.265910567594966
Energy: 2.3229135877109077
Energy: 2.2659105675937434
Energy: 2.562899923795423
Energy: 2.2561752178594325
Energy: 1.9856817922152787
Energy: 2.2561752178600436
Energy: 2.1022033494852694
Energy: 2.0924453086101917
Energy: 2.105211746212454
Energy: 2.0924453086101917
Energy: 2.043561901830993
Energy: 2.3097056108816814
Energy: 2.493124577650906
Energy: 2.3097056108810703
Energy: 2.4118261287468523
Energy: 2.5773849424071966
Energy: 2.0650276627694075
Energy: 2.577384942406585
Energy: 2.0442406952058123
Energy: 2.3507098107719213
Energy: 2.3787019228455444
Energy: 2.35070981077131
Energy: 2.7290781900942416
Energy: 2.3105263437324157
Energy: 1.9839043218575447
Energy: 2.3105263437311936
Energy: 2.0809333971459463
Energy: 2.080859896881595
Energy: 2.5191042520986526
Energy: 2.0808598968834287
Energy: 1.9848808276565277
Energy: 2.3511320323533487
Energy: 2.149337427844455
Energy: 2.3511320323539597
Energy: 2.2973848779001136
Energy: 2.1101356400876097
Energy: 2.190266885733089
Energy: 2.1101356400869986
Energy: 2.178300881592882
Energy: 2.249484168972563
Energy: 2.5885317716875487
Energy: 2.249484168973174
Energy: 2.4913303370696465
Energy: 2.2550956656195225
Energy: 1.975622844350082
Energy: 2.255095665620133
Energy: 2.095661081978287
Energy: 2.3781689664810575
Energy: 2.4218406589165316
Energy: 2.378168966480447
Energy: 2.1762318742633227
Energy: 2.3084874467927055
Energy: 2.1695790523622906
Energy: 2.3084874467927055
Energy: 2.4167136354725134
Energy: 2.415993267651913
Energy: 2.0932141502381745
Energy: 2.415993267651913
Energy: 1.985472625788674
Energy: 2.037654648563554
Energy: 2.54218867631843
Energy: 2.0376546485598857
Energy: 2.3990445201729536
Energy: 2.2669590672277606
Energy: 1.95460831336694
Energy: 2.266959067228983
Energy: 2.1841642794686793
Energy: 2.5080442540176744
Energy: 2.4423036688464688
Energy: 2.5080442540176744
Energy: 2.044739583317333
Energy: 2.168321457820521
Energy: 1.9183064863854347
Energy: 2.1683214578192986
Energy: 2.2177176393074527
Energy: 2.03766188889253
Energy: 2.3771632834626235
Energy: 2.0376618888919187
Energy: 2.134141625965262
Energy: 2.306543763784651
Energy: 2.411508343130495
Energy: 2.306543763784651
Energy: 2.046345877728147
Energy: 2.1655961810132958
Energy: 1.9175075296898823
Energy: 2.165596181013907
Energy: 2.1829877094111865
Energy: 2.788305140139016
Energy: 2.443244477774799
Energy: 2.7883051401396277
Energy: 2.313651171867423
Energy: 2.2666698409591324
Energy: 1.9553924053872307
Energy: 2.266669840959744
Energy: 2.008662503079163
Energy: 2.0515348751078135
Energy: 2.0691759788770843
Energy: 2.0515348751072024
Energy: 2.016190342851421
Energy: 2.252959805439063
Energy: 2.0530782246830763
Energy: 2.252959805439063
Energy: 2.2661087581143136
Energy: 2.311755813733091
Energy: 2.16774766626449
Energy: 2.311755813733091
Energy: 2.16876841562891
Energy: 2.473908140284164
Energy: 2.419875903988335
Energy: 2.473908140284164

minimum gb energy = 1.7821817926243362 eV
minimum distance =  2.51610989106687 Angstroms
sigma value = 73


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

Energy: 1.8290867908659467
Energy: 2.2461644628270014
Energy: 2.4922327446978443
Energy: 2.2461644628270014
Energy: 2.337739951451157
Energy: 2.451445301682905
Energy: 1.9848853617049278
Energy: 2.451445301682905
Energy: 2.080604780570752
Energy: 2.056519113518306
Energy: 1.9090846218395787
Energy: 2.056519113518306
Energy: 2.153137570988237
Energy: 2.257452393257863
Energy: 2.1441300665902587
Energy: 2.2574523932568935
Energy: 2.178105776497369
Energy: 2.3828427283938094
Energy: 2.0044876853052735
Energy: 2.3828427283938094
Energy: 1.9786885983377185
Energy: 2.229394333804837
Energy: 2.3685789900664727
Energy: 2.2293943338038678
Energy: 2.5858365342621052
Energy: 2.5428907862712786
Energy: 2.3486593324641962
Energy: 2.5428907862722485
Energy: 2.008891106133958
Energy: 2.1776083354107914
Energy: 2.533916263651119
Energy: 2.177608335409822
Energy: 2.5681768015749
Energy: 1.998687402687482
Energy: 1.8883259483621009
Energy: 1.9986874026884518
Energy: 2.064555004640236
Energy: 2.156191134888215
Energy: 2.088379941534031
Energy: 2.156191134890155
Energy: 1.9416086395482042
Energy: 2.057803785182917
Energy: 2.388961617060237
Energy: 2.057803785182917
Energy: 2.5637396061903934
Energy: 2.451994976650769
Energy: 2.011420511281762
Energy: 2.451994976651739
Energy: 2.157914707498271
Energy: 2.3233411468299527
Energy: 2.6556062142062373
Energy: 2.3233411468309226
Energy: 2.333047736233479
Energy: 2.256571146903374
Energy: 1.9457684437448828
Energy: 2.256571146904344
Energy: 2.001198072879977
Energy: 2.6160203236182435
Energy: 2.585187519649087
Energy: 2.6160203236182435
Energy: 2.435147841700135
Energy: 2.3546539170198386
Energy: 1.9130667842347424
Energy: 2.3546539170188687
Energy: 2.2671398772730784
Energy: 2.2514377020239427
Energy: 2.048706588549836
Energy: 2.2514377020229728
Energy: 1.943502039092303
Energy: 2.029299434887069
Energy: 2.0486798146137923
Energy: 2.029299434886099
Energy: 1.8577562168827706
Energy: 2.071694329377124
Energy: 1.9118368656193583
Energy: 2.071694329377124
Energy: 2.12676652122845
Energy: 2.6379769891836644
Energy: 2.4909634573121804
Energy: 2.637976989184634
Energy: 2.3909687355159948
Energy: 2.2648199077610838
Energy: 2.009768928866456
Energy: 2.2648199077620537
Energy: 2.065711956090594
Energy: 2.0410434461138482
Energy: 2.4127576422883377
Energy: 2.0410434461128784

minimum gb energy = 1.8290867908659467 eV
minimum distance =  2.51000352496753 Angstroms
sigma value = 7


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

Energy: 1.7310703342481621
Energy: 2.230792388470412
Energy: 2.6077403755542674
Energy: 2.2307923884710976
Energy: 2.543758779345705
Energy: 2.4994306341459884
Energy: 2.0415119721305452
Energy: 2.4994306341425596
Energy: 1.8547138574550965
Energy: 2.090813664475218
Energy: 1.9569225370812524
Energy: 2.0908136644724755
Energy: 2.47802701974716
Energy: 2.00402939911865
Energy: 2.0558317335977168
Energy: 2.0040293991179645
Energy: 1.9466030471537783
Energy: 2.0085467213738566
Energy: 2.085885412205563
Energy: 2.0085467213745427
Energy: 1.8038956976010898
Energy: 2.374995019185757
Energy: 2.4578883469598214
Energy: 2.374995019187814
Energy: 2.6000995985288746
Energy: 2.617672014235542
Energy: 2.3378100024080823
Energy: 2.6176720142389707
Energy: 1.8038600117185652
Energy: 2.407519830882427
Energy: 2.598219402351892
Energy: 2.4075198308851706
Energy: 2.5927928595937995
Energy: 2.148596228087885
Energy: 1.9523099622069542
Energy: 2.1485962280892568
Energy: 2.0389390731370307
Energy: 2.2168217165808732
Energy: 2.424554840852846
Energy: 2.2168217165829307
Energy: 2.006262018315026
Energy: 2.0890650725475575
Energy: 2.1028821119839183
Energy: 2.089065072546872
Energy: 2.00251532286064
Energy: 2.116891786873532
Energy: 1.974351298968453
Energy: 2.116891786873532
Energy: 1.9932597432110137
Energy: 1.9955473781826312
Energy: 2.05646798446862
Energy: 1.9955473781819455
Energy: 2.0612816254743955
Energy: 2.0902561707665845
Energy: 2.178952441299373
Energy: 2.09025617076727
Energy: 2.038249161851096
Energy: 2.3372890979570964
Energy: 2.517921517357135
Energy: 2.3372890979591534
Energy: 2.5016179986949143
Energy: 2.2315797091805094
Energy: 1.9454774185608872
Energy: 2.2315797091784524
Energy: 1.9425619997942354
Energy: 2.004560213239945
Energy: 2.54278256349321
Energy: 2.0045602132392593
Energy: 2.086013191603706
Energy: 2.537227784443422
Energy: 2.2555152329554775
Energy: 2.537227784445479
Energy: 1.9429072855394096
Energy: 2.0652291193784524
Energy: 2.2300615105469013
Energy: 2.0652291193777668
Energy: 1.9528552602110563
Energy: 2.2415825026171525
Energy: 2.110481958340846
Energy: 2.241582502616467
Energy: 2.5105361031666797
Energy: 2.222343680829735
Energy: 1.9086820926848038
Energy: 2.2223436808317922
Energy: 1.9057898875329666
Energy: 2.508025734090822
Energy: 2.495527705697806
Energy: 2.5080257340901366
Energy: 2.551603572195249
Energy: 2.5450749379250865
Energy: 2.061243898625599
Energy: 2.545074937925772
Energy: 1.7375625397581314
Energy: 2.2320971821035163
Energy: 2.6293818316676774
Energy: 2.2320971821048876
Energy: 2.0880607567438623
Energy: 2.056364003965575
Energy: 1.9762959776093978
Energy: 2.056364003962832
Energy: 1.9802421832344277
Energy: 2.3281811819338634
Energy: 2.081459415232044
Energy: 2.3281811819318063
Energy: 2.040686490505037
Energy: 2.019164323810843
Energy: 2.2602528290007657
Energy: 2.019164323812215
Energy: 2.410777893936785
Energy: 2.008525202622199
Energy: 1.943272656533016
Energy: 2.008525202622199
Energy: 1.9259426523440062
Energy: 2.357032841196365
Energy: 2.3416250929087
Energy: 2.357032841196365
Energy: 2.5229131800392057
Energy: 2.6175315382749567
Energy: 2.1559534401637817
Energy: 2.6175315382756423
Energy: 1.9259439259981923
Energy: 2.3570411411436907
Energy: 2.362538569611998
Energy: 2.357041141141633

minimum gb energy = 1.7310703342481621 eV
minimum distance =  2.54920370647399 Angstroms
sigma value = 29


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

Energy: 2.4027441913702487
Energy: 1.5461157465749673
Energy: 2.4274946214934943
Energy: 1.5461157465749673
Energy: 2.3745850205309846
Energy: 2.2330650801618206
Energy: 1.9519775122293295
Energy: 2.2330650801618206
Energy: 1.4920048007793218
Energy: 2.234465039649396
Energy: 2.4278613095277386
Energy: 2.234465039649396
Energy: 1.950740787593513
Energy: 2.0315362255051017
Energy: 1.9518725151048966
Energy: 2.0315362255051017
Energy: 1.9507188279037595
Energy: 1.7801771687547763
Energy: 1.9188920495578463
Energy: 1.7801771687547763
Energy: 1.962167682664628
Energy: 2.067358505669054
Energy: 1.962217411057248
Energy: 2.067358505669054
Energy: 1.49203251205876
Energy: 1.7802643001952307
Energy: 1.9510601044754377
Energy: 1.7802643001952307
Energy: 1.9518915018256877
Energy: 2.0315080324569204
Energy: 1.950726296055606
Energy: 2.0315080324569204
Energy: 2.4278653990348174
Energy: 2.2345870555179785
Energy: 1.9965597125048329
Energy: 2.2345870555179785

minimum gb energy = 1.4920048007793218 eV
minimum distance =  2.6711032868348 Angstroms
sigma value = 5


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

Energy: 1.751070230213742
Energy: 1.567945996926585
Energy: 2.6565959326283344
Energy: 1.567945996929176
Energy: 2.6308572213140575
Energy: 2.3285091610862687
Energy: 1.7549511561109012
Energy: 2.3285091610862687
Energy: 1.7635092812791855
Energy: 2.0292626220505063
Energy: 2.3055124367557966
Energy: 2.029262622049859
Energy: 1.664613239331364
Energy: 1.921176293516554
Energy: 1.7511704897697933
Energy: 1.9211762935172016
Energy: 2.182719344300891
Energy: 2.0319937523936957
Energy: 2.10181339857309
Energy: 2.031993752394343
Energy: 2.039953530762498
Energy: 2.035060204999447
Energy: 1.6352673534927658
Energy: 2.0350602050000943
Energy: 1.7479529438600798
Energy: 2.0206401125847107
Energy: 1.7468407388384035
Energy: 2.0206401125840627
Energy: 1.7531483860843051
Energy: 1.979096977301759
Energy: 1.8966267479399708
Energy: 1.9790969771754419
Energy: 1.748247360680516
Energy: 2.0339439467808136
Energy: 1.7557324840702413
Energy: 2.0339439467808136
Energy: 1.8671225031945449
Energy: 2.0217642773717728
Energy: 1.6649909091765198
Energy: 2.0217642773724207
Energy: 2.0501812025363453
Energy: 1.9882039162644671
Energy: 1.7674211164215075
Energy: 1.9882039162644671
Energy: 1.7587645456968743
Energy: 2.021546427440582
Energy: 1.8220873597090008
Energy: 2.02154642744123
Energy: 1.7094477391175105
Energy: 1.5689469828876828
Energy: 1.6641705679128238
Energy: 1.5689469828889782
Energy: 2.001686660210178
Energy: 2.078243114231916
Energy: 2.5738140817235866
Energy: 2.0782431142312685
Energy: 2.5308420424499483
Energy: 2.2498681919519177
Energy: 1.7679509307160064
Energy: 2.2498681919519177
Energy: 1.7307137079521795
Energy: 1.558860867485816
Energy: 2.5847870931940222
Energy: 1.5588608674845206
Energy: 2.281337238637853
Energy: 2.0438740545898586
Energy: 1.887214633635308
Energy: 2.043874054590506
Energy: 1.9849140619539807
Energy: 2.0687543735657985
Energy: 2.209034961021611
Energy: 2.0687543735651506
Energy: 1.8731160100576354
Energy: 1.9268803363817109
Energy: 1.750421821970731
Energy: 1.9268803363817109
Energy: 1.8957137961853117
Energy: 2.3453032519767767
Energy: 1.9050432925290068
Energy: 2.3453032519761288
Energy: 1.724752320695042
Energy: 2.028016389119789
Energy: 1.755021731143052
Energy: 2.0280163891191414
Energy: 1.8615587092466246
Energy: 1.8949764387983723
Energy: 1.868682038630037
Energy: 1.8949764387990202
Energy: 1.8811668838297093
Energy: 1.9906142507346938
Energy: 1.6729735080855181
Energy: 1.9906142507346938
Energy: 1.82617530709763
Energy: 1.9992096425610932
Energy: 1.7540050543778203
Energy: 1.999209642561741
Energy: 1.825540118133152
Energy: 2.001639220839471
Energy: 2.1044271334261766
Energy: 2.0016392208388822
Energy: 2.270534572351231
Energy: 2.070362378380531
Energy: 2.144395919566769
Energy: 2.0703623783824745
Energy: 1.6590841221400545
Energy: 1.9775959471517774
Energy: 1.9040948996865337
Energy: 1.9775959471504818
Energy: 2.4516971373498575
Energy: 2.3568702048097165
Energy: 1.7309689816654472
Energy: 2.35687020481166
Energy: 1.7569192116942103
Energy: 2.3567331232030817
Energy: 2.586901525163889
Energy: 2.3567331232037296
Energy: 2.7790928161199266
Energy: 2.035391985683606
Energy: 1.9846289498071386
Energy: 2.035391985683606
Energy: 1.6327685572097483
Energy: 1.549424038449252
Energy: 2.2110988488250047
Energy: 1.5494240384498996
Energy: 2.1626007419577298
Energy: 1.980396806800806
Energy: 1.8932181611704573
Energy: 1.9803968068021016
Energy: 1.734910464882349
Energy: 2.357006004501831
Energy: 2.2976852410042907
Energy: 2.357006004501831

minimum gb energy = 1.549424038449252 eV
minimum distance =  2.54089228989059 Angstroms
sigma value = 1


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

Energy: 1.5128375639498193
Energy: 1.5140802284452226
Energy: 2.6774386832858315
Energy: 1.5140802284452226
Energy: 2.5247678987448157
Energy: 2.339681594456513
Energy: 1.7633221193110864
Energy: 2.339681594458304
Energy: 1.482137887560912
Energy: 2.0680433056779504
Energy: 2.27689794665144
Energy: 2.0680433056770546
Energy: 2.1087824690874184
Energy: 1.9022389336863206
Energy: 1.620189141372091
Energy: 1.902238933687216
Energy: 1.5103136933500942
Energy: 2.0515815858250672
Energy: 2.559758860142286
Energy: 2.051581585824172
Energy: 1.6413956628498063
Energy: 2.4050225216328247
Energy: 1.6203843943875715
Energy: 2.405022521634616
Energy: 1.481845440549436
Energy: 1.933117492444201
Energy: 1.7989642159816073
Energy: 1.9331174924450965
Energy: 1.6228945274278026
Energy: 1.9815678204538973
Energy: 1.8009294997388496
Energy: 1.9815678204547928
Energy: 1.6775631928076113
Energy: 1.9963997116911676
Energy: 1.813999786238805
Energy: 1.996399711690272
Energy: 1.6776384682820917
Energy: 1.996552607462083
Energy: 1.6758799439499417
Energy: 1.9965526074602915
Energy: 1.6227972954375725
Energy: 2.14064990113304
Energy: 2.012398272027041
Energy: 2.140649901131249
Energy: 1.4820025410091622
Energy: 1.933138799598987
Energy: 1.681811317572208
Energy: 1.9331387995962999
Energy: 1.6412421193777555
Energy: 2.405003328772456
Energy: 1.6203883157316958
Energy: 2.405003328773352
Energy: 1.5095453493696254
Energy: 2.0516091666025797
Energy: 1.9197018707744342
Energy: 2.0516091666016845
Energy: 2.1086525762017527
Energy: 1.9023160272823
Energy: 1.620239127081915
Energy: 1.9023160272805089
Energy: 1.4815022978728885
Energy: 2.0680958403062992
Energy: 2.2144729660003133
Energy: 2.0680958403062992
Energy: 2.5248172298277405
Energy: 2.3394638072313305
Energy: 1.763347947523932
Energy: 2.339463807229539
Energy: 1.5128375639507152
Energy: 1.5140802284452226
Energy: 2.0753203671714937
Energy: 1.5140802284452226
Energy: 2.5247678987466067
Energy: 2.339681594456513
Energy: 1.7633221193110864
Energy: 2.339681594458304
Energy: 1.482137887560912
Energy: 2.0680433056779504
Energy: 2.27689794665144
Energy: 2.0680433056779504
Energy: 2.1085519439608738
Energy: 1.9022389336863206
Energy: 1.6201891413729865
Energy: 1.902238933687216
Energy: 1.5103136933500942
Energy: 2.0515815858250672
Energy: 2.559758860142286
Energy: 2.0515815858232758
Energy: 1.6413956628444322
Energy: 2.405022521633721
Energy: 1.620384394386676
Energy: 2.405022521634616
Energy: 1.481845440549436
Energy: 1.933117492443305
Energy: 1.7989642159816073
Energy: 1.9331174924477836

minimum gb energy = 1.4815022978728885 eV
minimum distance =  2.49303079797928 Angstroms
sigma value = 17


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

Energy: 1.505106799694458
Energy: 1.5048709173220571
Energy: 2.5541259813152264
Energy: 1.5048709173220571
Energy: 2.655105186501969
Energy: 1.9435399880501276
Energy: 1.7418386968933446
Energy: 1.9435399880501276
Energy: 1.8353153408920433
Energy: 1.6644487668958368
Energy: 2.2090775898001933
Energy: 1.6644487668958368
Energy: 1.8104727212317955
Energy: 1.865461365093695
Energy: 1.5540211501436967
Energy: 1.8654613650953558
Energy: 1.7599274438941468
Energy: 2.0731751361791426
Energy: 2.1347654400222136
Energy: 2.0731751361791426
Energy: 1.5990003475478263
Energy: 2.336461193539598
Energy: 1.6581118497657328
Energy: 2.33646119353849
Energy: 1.7446921811123601
Energy: 1.9808946006369985
Energy: 1.8030507268955196
Energy: 1.9808946006369985
Energy: 1.748799351859904
Energy: 2.0619623842358763
Energy: 1.6610917723947045
Energy: 2.061962384235323
Energy: 1.700731519352351
Energy: 2.008627782662259
Energy: 1.773393776050571
Energy: 2.0086277826617054
Energy: 1.6991514575187059
Energy: 2.2791834000219637
Energy: 1.746318172333799
Energy: 2.279183400020303
Energy: 1.6540650572632618
Energy: 2.537599255209282
Energy: 1.7679451944930145
Energy: 2.537599255208728
Energy: 1.7471473818921663
Energy: 1.6585603621851708
Energy: 1.6438502219774573
Energy: 1.658560362186278
Energy: 1.5785623123618742
Energy: 2.683692583958915
Energy: 1.658903270461679
Energy: 2.6836925839600227
Energy: 1.6602417746553237
Energy: 2.0031722408725305
Energy: 1.8336746693631458
Energy: 2.003172240871977
Energy: 1.742561341832382
Energy: 2.3867090596355176
Energy: 1.7083286762128878
Energy: 2.3867090596360714
Energy: 1.9626707387964977
Energy: 2.0474850587471654
Energy: 2.1407189623454057
Energy: 2.0474850587471654
Energy: 1.8765630058109362
Energy: 1.8686605387875077
Energy: 1.6586035439367313
Energy: 1.868660538786954
Energy: 1.632297286337674
Energy: 1.7026165163380156
Energy: 2.3079189291657127
Energy: 1.7026165163369087
Energy: 2.5060038245834506
Energy: 2.42754139729148
Energy: 1.742461800452524
Energy: 2.4275413972920337
Energy: 1.645205752057492
Energy: 1.4886134174796128
Energy: 2.3165911079048045
Energy: 1.4886134174796128
Energy: 2.556132569688112
Energy: 1.684708352307155
Energy: 1.6494698793727025
Energy: 1.6847083523066018
Energy: 1.7518098685391377
Energy: 2.127750445930453
Energy: 2.418615598916487
Energy: 2.127750445932063
Energy: 1.8945902589071666
Energy: 1.8850240733745836
Energy: 1.7497498447489794
Energy: 1.8850240733751369
Energy: 1.7443169784119874
Energy: 2.0566650385382155
Energy: 1.9584274320185828
Energy: 2.0566650385382155
Energy: 2.0673450110830025
Energy: 1.7022336998938494
Energy: 1.5514458589680042
Energy: 1.7022336998927423
Energy: 1.7447771761515034
Energy: 1.9186676195611787
Energy: 1.7671871282421434
Energy: 1.9186676195600718
Energy: 1.95116655237686
Energy: 2.395703017332205
Energy: 1.9657185789858336
Energy: 2.3957030160954806
Energy: 1.7103853563855058
Energy: 2.5080659417600826
Energy: 1.742997032038727
Energy: 2.5080659417600826
Energy: 1.8276177307728565
Energy: 1.8839722110523447
Energy: 1.663996408361488
Energy: 1.8839722110523447
Energy: 1.7445285357020834
Energy: 2.7254641903098222
Energy: 1.8102899315053207
Energy: 2.7254641903098222
Energy: 1.6436814996868478
Energy: 1.5994470433322923
Energy: 1.7407348251642303
Energy: 1.599447043333953
Energy: 1.6759013595892411
Energy: 2.337882653141234
Energy: 1.6513033395968792
Energy: 2.3378826531417873
Energy: 1.7570618056931113
Energy: 2.2629496043046706
Energy: 1.8874519786211492
Energy: 2.2629496043046706
Energy: 1.698086510728379
Energy: 2.009946597943744
Energy: 1.7523780242857707
Energy: 2.009946597943744
Energy: 1.6577208529824763
Energy: 2.1029345646774864
Energy: 2.0768462531692227
Energy: 2.1029345646774864
Energy: 1.805809922359363
Energy: 1.980415952927597
Energy: 1.6562423838692126
Energy: 1.9804159529264898
Energy: 1.7494391579399349
Energy: 2.331345641963946
Energy: 1.7952344092430945
Energy: 2.331345641964499
Energy: 2.1372184965165566
Energy: 2.0710519990946943
Energy: 1.7425683412320783
Energy: 2.0710519990941405

minimum gb energy = 1.4886134174796128 eV
minimum distance =  2.48782942940991 Angstroms
sigma value = 89


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

Energy: 1.3417976232484325
Energy: 1.3422136924682952
Energy: 2.450101285049585
Energy: 1.3422136924682952
Energy: 2.452881473712482
Energy: 1.385431976325406
Energy: 1.607494932654
Energy: 1.385431976325406
Energy: 1.8654760003346529
Energy: 1.9207145193700683
Energy: 2.7916570381960426
Energy: 1.9207145193686201
Energy: 1.8940308575186606
Energy: 1.389324967954398
Energy: 1.6074384734676306
Energy: 1.389324967954398
Energy: 1.6090988347157462
Energy: 2.0624733080976045
Energy: 2.4700866505663663
Energy: 2.062473308099053
Energy: 1.361636865169361
Energy: 1.3431273538498092
Energy: 1.3416815955080181
Energy: 1.3431273538498092
Energy: 1.610422308784501
Energy: 2.40000134384488
Energy: 1.6043581471106245
Energy: 2.40000134384488
Energy: 1.6687034476169227
Energy: 2.3283851325213005
Energy: 1.6076439932379238
Energy: 2.3283851325213005
Energy: 1.6108786457558553
Energy: 1.817678550244474
Energy: 1.8939250846469748
Energy: 1.817678550244474
Energy: 2.1444236663512126
Energy: 1.959442503685285
Energy: 1.6070493296874655
Energy: 1.959442503685285
Energy: 1.6051698374675407
Energy: 1.7564407576633154
Energy: 1.3617167510620272
Energy: 1.7564407576633154
Energy: 1.603287037597041
Energy: 2.4002216213526886
Energy: 1.60710144601732
Energy: 2.4002216213526886
Energy: 1.6097602153994246
Energy: 1.9336909347458662
Energy: 1.6356321399115956
Energy: 1.9336909347458662
Energy: 1.6069557859309447
Energy: 1.4828391143329294
Energy: 1.607031519509869
Energy: 1.4828391143314807
Energy: 1.6690699045188575
Energy: 1.9334950719044157
Energy: 1.6090465221646766
Energy: 1.9334950719044157

minimum gb energy = 1.3416815955080181 eV
minimum distance =  2.49992501595338 Angstroms
sigma value = 13


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

Energy: 1.3529182076402229
Energy: 1.7067450679113703
Energy: 2.529451521784703
Energy: 1.7067450679083345
Energy: 2.4644274118878244
Energy: 1.7288464153481122
Energy: 1.501076493123744
Energy: 1.728846415347505
Energy: 1.5059109719734587
Energy: 1.7405043829483249
Energy: 2.1719089094496495
Energy: 1.74050438295561
Energy: 1.6177584072895859
Energy: 1.7287650373601566
Energy: 1.4000558850280496
Energy: 1.7287650373637993
Energy: 1.6233630479333723
Energy: 2.110288149202266
Energy: 2.007212965245223
Energy: 2.1102881492034804
Energy: 1.6216271407296328
Energy: 1.538663286908278
Energy: 1.4259594948935819
Energy: 1.5386632869125276
Energy: 1.5157005466339883
Energy: 2.1408150527346286
Energy: 1.916551490404945
Energy: 2.1408150527364493
Energy: 1.525665368061149
Energy: 1.7599694814097544
Energy: 1.426128068208271
Energy: 1.7599694814061118
Energy: 1.5160918141682418
Energy: 2.076387219763477
Energy: 1.713839363494376
Energy: 2.076387219763477
Energy: 1.766094800210526
Energy: 2.67458619188194
Energy: 1.4004113559250113
Energy: 2.6745861918765303
Energy: 1.516001002511733
Energy: 1.6368736162839237
Energy: 1.6193801210711731
Energy: 1.636873616286352
Energy: 1.874337876089919
Energy: 2.657515150499991
Energy: 1.6206656288971384
Energy: 2.657515150501812
Energy: 1.7251996665965665
Energy: 1.7609854505684368
Energy: 1.5445311600290668
Energy: 1.7609854505617588
Energy: 2.114717849290663
Energy: 1.9271940123438687
Energy: 1.5084731755146188
Energy: 1.9271940123426545
Energy: 1.5160428479361503
Energy: 1.7492972047694615
Energy: 1.5264736789170554
Energy: 1.7492972047688542
Energy: 1.5195070800626633
Energy: 1.6307012641230603
Energy: 1.5087832921436874
Energy: 1.6307012641236676
Energy: 1.5254451511937044
Energy: 2.1830353090247185
Energy: 1.5088197436791977
Energy: 2.1830353090276993
Energy: 1.5274622636262023
Energy: 1.9061003746209604
Energy: 1.544603901779461
Energy: 1.9061003746179246
Energy: 1.592294450108989
Energy: 2.502084636020819
Energy: 1.5438728265671449
Energy: 2.502084636021426
Energy: 1.5923939210963827
Energy: 2.5018674018038247
Energy: 1.5434292613732055
Energy: 2.501867401805646
Energy: 1.5276210718065488
Energy: 1.905518883366606
Energy: 1.5448835184168177
Energy: 1.9055188833647847
Energy: 1.5248737878404628
Energy: 2.1825756652829043
Energy: 1.509499779400017
Energy: 2.182575665280475
Energy: 1.5262775779264584
Energy: 1.6304220675663244
Energy: 1.5088178016773386
Energy: 1.63042206756511
Energy: 1.516360977072585
Energy: 1.7487451549164699
Energy: 1.5843868183395664
Energy: 1.7487451549261837
Energy: 2.144289770118332
Energy: 1.9273929680679198
Energy: 1.5079161799051688
Energy: 1.9273929680667055
Energy: 1.725492565044203
Energy: 1.7610518129221648
Energy: 1.4547221274941544
Energy: 1.761051812917308
Energy: 1.8743451297049853
Energy: 2.6551986906929774
Energy: 1.6210925460640886
Energy: 2.655198690697227
Energy: 1.5160773196981112
Energy: 1.6372982726327887
Energy: 1.5263569114514866
Energy: 1.6372982726333962
Energy: 1.765695019167163
Energy: 2.6735285585577944
Energy: 1.4005770801164574
Energy: 2.6735285585571873
Energy: 1.5158272150846341
Energy: 2.0766310879577436
Energy: 2.127589583620986
Energy: 2.0766310879553154
Energy: 1.5253862464979706
Energy: 1.7602541992121945
Energy: 1.4259617096341335
Energy: 1.7602541992121945
Energy: 1.5157932999221833
Energy: 2.140621830889015
Energy: 2.3042658641092406
Energy: 2.1406218308908365
Energy: 1.6221918922849716
Energy: 1.538869636803082
Energy: 1.425389680173014
Energy: 1.5388696368000467
Energy: 1.6236123086778644
Energy: 2.110446417372933
Energy: 1.9076252573361219
Energy: 2.11044641737354
Energy: 1.617868437720048
Energy: 1.7287606907416102
Energy: 1.4001999305806745
Energy: 1.728760690739789

minimum gb energy = 1.3529182076402229 eV
minimum distance =  2.47148089449824 Angstroms
sigma value = 37


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

Energy: 1.2548384714143137
Energy: 1.2541699059265674
Energy: 2.3236828849254234
Energy: 1.2541699059265674
Energy: 2.2730366139473612
Energy: 1.9003112890241292
Energy: 1.3751015356918908
Energy: 1.9003112890251739
Energy: 1.3837338093770908
Energy: 1.9513166060254925
Energy: 1.5726329496671103
Energy: 1.9513166060254925
Energy: 1.372426967347327
Energy: 1.5717271106858488
Energy: 1.3751749402766102
Energy: 1.5717271106858488
Energy: 1.2023932308845564
Energy: 1.57165412354093
Energy: 1.5110226456013895
Energy: 1.57165412354093
Energy: 1.5729786966401291
Energy: 1.5721425217069558
Energy: 1.1959525889043365
Energy: 1.572142521708
Energy: 1.5660372636057889
Energy: 2.3369896046823286
Energy: 1.7023634998382084
Energy: 2.3369896046823286
Energy: 1.2022885722112977
Energy: 1.2547357533993233
Energy: 1.7026393121460466
Energy: 1.2547357533993233
Energy: 1.3764224752863723
Energy: 1.8799004298625472
Energy: 1.7019023184305535
Energy: 1.8799004298615027
Energy: 1.8718873069460542
Energy: 1.9531002966854651
Energy: 1.1960779282553005
Energy: 1.9531002966854651
Energy: 1.5661309721579408
Energy: 2.32848726391206
Energy: 1.3724957167669598
Energy: 2.3284872639110152
Energy: 1.7935691722887535
Energy: 1.5724782958825716
Energy: 1.3751479204680723
Energy: 1.5724782958825716
Energy: 1.1916393622123163
Energy: 1.5722806627285433
Energy: 1.5729568618400482
Energy: 1.5722806627285433
Energy: 1.702193821619066
Energy: 2.3102031238413097
Energy: 1.3749223346812214
Energy: 2.3102031238423546
Energy: 1.703772352731529
Energy: 1.3173963137907174
Energy: 1.2024018513360604
Energy: 1.3173963137907174
Energy: 1.7017071683287224
Energy: 1.5722916184165345
Energy: 1.3762711090862976
Energy: 1.5722916184165345
Energy: 1.1915937395725873
Energy: 1.9519202986659085
Energy: 1.392849245181396
Energy: 1.9519202986659085
Energy: 1.3729919285334466
Energy: 2.3286981175411725
Energy: 1.3757221296712194
Energy: 2.3286981175411725
Energy: 1.3784406410246453
Energy: 1.715244974530009
Energy: 1.3748105875178005
Energy: 1.7152449745289644
Energy: 1.374925341124631
Energy: 1.5721789894704727
Energy: 1.3727711156149307
Energy: 1.5721789894704727

minimum gb energy = 1.1915937395725873 eV
minimum distance =  2.48434819809607 Angstroms
sigma value = 25


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

Energy: 1.5633871097433134
Energy: 1.8503203680238185
Energy: 1.7572758954165435
Energy: 1.8503203680254496
Energy: 2.218786260528472
Energy: 1.617827712567759
Energy: 1.2335809064229692
Energy: 1.6178277125693903
Energy: 1.2348576055759064
Energy: 1.2351286831699184
Energy: 1.3951280065149614
Energy: 1.2351286831699184
Energy: 1.6887863733353456
Energy: 1.517355760998004
Energy: 1.171934032387065
Energy: 1.5173557609996353
Energy: 1.3768302187419252
Energy: 1.6162235478539315
Energy: 1.2542986057183485
Energy: 1.6162235478531157
Energy: 1.4172702807449018
Energy: 1.614711718283845
Energy: 1.3086119405317405
Energy: 1.6147117182846606
Energy: 1.233524657270786
Energy: 1.3513843222050634
Energy: 1.5940471194867074
Energy: 1.3513843222050634
Energy: 1.3102966616868792
Energy: 1.5239255095085196
Energy: 1.237303833240226
Energy: 1.5239255095109667
Energy: 1.2321403652218157
Energy: 1.6166973353750578
Energy: 2.12646677062173
Energy: 1.616697335374242
Energy: 1.147549687398976
Energy: 1.601056067247283
Energy: 1.2903777243004821
Energy: 1.6010560672480987
Energy: 1.2366962682439895
Energy: 1.3516848366166545
Energy: 1.981396362385294
Energy: 1.3516848366191017
Energy: 1.5403050511713219
Energy: 1.6835452118046115
Energy: 1.2373660927851127
Energy: 1.6835452118046115
Energy: 1.2332830344921728
Energy: 1.5161550933907775
Energy: 1.6895579551135387
Energy: 1.5161550933907775
Energy: 1.5229376776733556
Energy: 1.648662500507015
Energy: 1.308853307865185
Energy: 1.6486625005061994
Energy: 1.3108164413144057
Energy: 1.4788512146723964
Energy: 1.4167828226404968
Energy: 1.4788512146715809
Energy: 1.7597852795922262
Energy: 2.02271247406584
Energy: 1.2367984130174334
Energy: 2.022712474064209
Energy: 1.3064441553248012
Energy: 1.524956061911833
Energy: 1.2887938993350556
Energy: 1.524956061911833
Energy: 1.8715666781948928
Energy: 1.616833840448902
Energy: 1.1725267643923614
Energy: 1.6168338404505331
Energy: 1.6439167818021048
Energy: 1.8675411372965676
Energy: 1.147609557697215
Energy: 1.8675411372973834
Energy: 2.1782474238505514
Energy: 1.9497148728433407
Energy: 1.2368731705552156
Energy: 1.9497148728433407
Energy: 1.3065961204398906
Energy: 1.684353399882584
Energy: 1.1526314245220912
Energy: 1.6843533998817681
Energy: 1.5949594227779937
Energy: 1.5160589144793584
Energy: 1.235197292326201
Energy: 1.5160589144793584
Energy: 1.3106540513169753
Energy: 1.6483237144098775
Energy: 1.518702057881229
Energy: 1.6483237144106933
Energy: 1.4169329817313774
Energy: 1.8670860466914803
Energy: 1.3142542721231925
Energy: 1.8670860466914803
Energy: 1.3016673140822073
Energy: 2.0233333597286127
Energy: 1.764573112895137
Energy: 2.0233333597286127
Energy: 1.1519270372318255
Energy: 1.52487634355032
Energy: 1.3780279642317779
Energy: 1.5248763435495047

minimum gb energy = 1.147549687398976 eV
minimum distance =  2.48035760407315 Angstroms
sigma value = 41


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

Energy: 1.4202086808222294
Energy: 1.4204250580199318
Energy: 1.6163219792640953
Energy: 1.4204250580199318
Energy: 2.0460989702525096
Energy: 1.408201197768463
Energy: 1.0991472765168278
Energy: 1.4082011977677944
Energy: 1.2352455677192098
Energy: 1.399601686205871
Energy: 1.0929978832666896
Energy: 1.399601686205871
Energy: 1.954947784892423
Energy: 1.408367714480425
Energy: 1.0993339601235965
Energy: 1.4083677144797562
Energy: 0.9897813039809319
Energy: 1.4405871653521447
Energy: 1.172566832931404
Energy: 1.4405871653528135
Energy: 1.3192884062471253
Energy: 1.4087705403435515
Energy: 1.0990431754470051
Energy: 1.408770540342883
Energy: 0.995111601418747
Energy: 1.4090875337118483
Energy: 1.4026346957143179
Energy: 1.4090875337118483
Energy: 1.0875808468713462
Energy: 1.2252530288768146
Energy: 0.9912272860152811
Energy: 1.2252530288768146
Energy: 1.1009495539822254
Energy: 1.756006598554975
Energy: 1.6441395107994956
Energy: 1.7560065985536377
Energy: 1.206013894986857
Energy: 1.400429783682316
Energy: 1.1311827339768548
Energy: 1.4004297836816475
Energy: 0.9951038636831187
Energy: 1.4085035994218844
Energy: 1.9199804203240793
Energy: 1.4085035994218844
Energy: 0.9799645529768635
Energy: 1.4210943189266338
Energy: 1.4216229598642947
Energy: 1.4210943189266338
Energy: 1.101078219799497
Energy: 1.728809920917071
Energy: 1.9197620784025977
Energy: 1.7288099209157335
Energy: 1.4254001942537766
Energy: 2.0187677805712956
Energy: 1.1973827878414798
Energy: 2.0187677805726327
Energy: 1.1002065101532816
Energy: 1.4082206871712528
Energy: 1.7282261799301017
Energy: 1.4082206871705842
Energy: 1.4024562892514834
Energy: 1.4602510450093868
Energy: 0.9912979855948613
Energy: 1.4602510450093868
Energy: 1.1009744288952057
Energy: 1.7289526400742692
Energy: 1.3184249152738197
Energy: 1.7289526400742692
Energy: 1.4025976959647457
Energy: 2.04648224588107
Energy: 1.0991433099691437
Energy: 2.04648224588107
Energy: 0.9948290329120061
Energy: 1.225667297926529
Energy: 1.0871611536434385
Energy: 1.2256672979278664
Energy: 1.3962147917403493
Energy: 1.758937716418564
Energy: 1.1055886276006401
Energy: 1.758937716416558
Energy: 1.1332034662828696
Energy: 1.729135273950148
Energy: 1.2056708907841829
Energy: 1.7291352739508166
Energy: 1.930079724221404
Energy: 2.055686348891702
Energy: 0.996267241305779
Energy: 2.055686348891702
Energy: 1.4256617294005376
Energy: 1.4219507211275517
Energy: 0.9800282114038893
Energy: 1.4219507211262143
Energy: 1.7397226933107364
Energy: 1.7304615268270558
Energy: 1.1052026609167136
Energy: 1.7304615268257184
Energy: 1.133450870801539
Energy: 2.1423563302829214
Energy: 1.0966707857983105
Energy: 2.1423563302829214
Energy: 1.728423570249179
Energy: 2.0278989825939693
Energy: 1.1036782179610962
Energy: 2.0278989825939693
Energy: 0.9949738415096775
Energy: 1.4597500134141996
Energy: 1.4023280246846437
Energy: 1.4597500134148682
Energy: 1.0973469667481695
Energy: 1.7295885692614479
Energy: 1.1056141039326501
Energy: 1.729588569262785
Energy: 1.1012644253229804
Energy: 2.3028479066822207
Energy: 1.4030199000814676
Energy: 2.3028479066828895
Energy: 1.087382456208848
Energy: 1.7682695924012986
Energy: 1.1044845594120545
Energy: 1.7682695924012986
Energy: 1.106882353012599
Energy: 1.7568353091706241
Energy: 1.3963932402820125
Energy: 1.7568353091699551
Energy: 1.0881408362864506
Energy: 1.8951906949225739
Energy: 1.137128372863676
Energy: 1.895190694921905

minimum gb energy = 0.9799645529768635 eV
minimum distance =  2.43625988820947 Angstroms
sigma value = 15


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

Energy: 1.394176510734486
Energy: 1.786013759245843
Energy: 1.7355957621203109
Energy: 1.7860137593319458
Energy: 1.9884255578627383
Energy: 1.5371637845068953
Energy: 1.0745780846314803
Energy: 1.5371637845068953
Energy: 1.1374622300165325
Energy: 1.2657916609454223
Energy: 1.399360517078633
Energy: 1.2657916609459885
Energy: 2.0181291565567316
Energy: 1.561776825487253
Energy: 1.0196077679814042
Energy: 1.561776825488386
Energy: 1.106455195253351
Energy: 1.7514560884260095
Energy: 1.0649528432787572
Energy: 1.7514560884248762
Energy: 1.5388531261314642
Energy: 1.5311637971474226
Energy: 1.0744907395027568
Energy: 1.5311637971479892
Energy: 1.1050793797810987
Energy: 1.2782622785840645
Energy: 0.969495112654978
Energy: 1.2782622785851974
Energy: 1.1913727239221403
Energy: 1.2784046278716206
Energy: 1.1061501563346
Energy: 1.278404627871054
Energy: 1.1089215836055237
Energy: 1.793024470617205
Energy: 1.4391123423073346
Energy: 1.7930244706177716
Energy: 0.9917285774647846
Energy: 1.734945546321307
Energy: 1.074174364627656
Energy: 1.7349455463218737
Energy: 1.0763914607542515
Energy: 1.5611573051731613
Energy: 1.6831195182085186
Energy: 1.561157305174294
Energy: 1.0905612919957528
Energy: 1.266184525357683
Energy: 1.1380341888179615
Energy: 1.266184525357683
Energy: 1.108405116689734
Energy: 1.7978087152335736
Energy: 1.8679619740294504
Energy: 1.7978087152335736
Energy: 0.9022744536527625
Energy: 1.8227797756494701
Energy: 1.2930448998460682
Energy: 1.8227797756494701
Energy: 1.0750480074288737
Energy: 1.5382666431408896
Energy: 1.897671144902605
Energy: 1.5382666431408896
Energy: 1.2827870287498977
Energy: 1.2665990827774902
Energy: 1.1383333387708263
Energy: 1.266599082778623
Energy: 1.0205620470060837
Energy: 1.7981936718994322
Energy: 1.7079809089294156
Energy: 1.7981936719011318
Energy: 1.2659395930140465
Energy: 1.9121925672984268
Energy: 1.0737765618048576
Energy: 1.9121925672984268
Energy: 1.0186710718646776
Energy: 1.536949738153842
Energy: 1.5384524785081042
Energy: 1.536949738152709
Energy: 1.2277569288353383
Energy: 1.2995691944681664
Energy: 1.0185179329775036
Energy: 1.2995691944704326
Energy: 1.1083407930981057
Energy: 1.5617578656071303
Energy: 1.1919548237779956
Energy: 1.5617578656071303
Energy: 1.3091058712339696
Energy: 1.8246365727800526
Energy: 1.1105218741440037
Energy: 1.8246365727772205
Energy: 1.0750984404941546
Energy: 1.5408715275229514
Energy: 0.9916049278430371
Energy: 1.5408715275240843
Energy: 1.7668799755760018
Energy: 1.5632466950551838
Energy: 0.9909814255317545
Energy: 1.5632466950500858
Energy: 1.2284370064462293
Energy: 1.7528632341313233
Energy: 1.0906306903121974
Energy: 1.752863234130757
Energy: 1.7285874764040243
Energy: 1.8315261311060387
Energy: 1.1103708132262193
Energy: 1.8315261311060387
Energy: 1.396187034360699
Energy: 1.8224620962976579
Energy: 0.9021588375464871
Energy: 1.8224620962982243
Energy: 1.8944095673392587
Energy: 1.5232520649689811
Energy: 0.9900136702398115
Energy: 1.5232520649718138
Energy: 1.2279577865203977
Energy: 1.7657150436448643
Energy: 0.9987181439966905
Energy: 1.7657150436459972
Energy: 1.5452840999316626
Energy: 1.8086223103411208
Energy: 1.0226152483504594
Energy: 1.8086223103399877
Energy: 1.0752583500721005
Energy: 1.9126441043952644
Energy: 1.2660862785355753
Energy: 1.9126441043941316
Energy: 1.5579657829998295
Energy: 1.5366465999884509
Energy: 1.0771335844074637
Energy: 1.5366465999878844
Energy: 1.0196147256062171
Energy: 1.8244919761502354
Energy: 1.2277765645873653
Energy: 1.8244919761491023
Energy: 1.0031643874080927
Energy: 1.5618963085366435
Energy: 1.1122891814994111
Energy: 1.5618963085355106
Energy: 0.9993640961075954
Energy: 1.8092320215026216
Energy: 1.3034089447564898
Energy: 1.809232021503188
Energy: 0.9917965022397526
Energy: 1.7029655825656025
Energy: 1.021195089511544
Energy: 1.7029655825667354
Energy: 0.9343537614082162
Energy: 1.9747705598690792
Energy: 1.763799959619409
Energy: 1.9747705598685128

minimum gb energy = 0.9021588375464871 eV
minimum distance =  2.45519780373677 Angstroms
sigma value = 85


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

Energy: 1.480242034633768
Energy: 1.6890581779368754
Energy: 0.9472164192730277
Energy: 1.6890581779373668
Energy: 1.9897839674561248
Energy: 1.3371211579224158
Energy: 0.9729315727845351
Energy: 1.3371211579214333
Energy: 1.2617507436657263
Energy: 1.2626933609558788
Energy: 1.3326551358182759
Energy: 1.262693360957844
Energy: 1.7486978124703956
Energy: 1.3364817890560625
Energy: 1.0037376814245271
Energy: 1.3364817890565537
Energy: 1.1280280324343177
Energy: 1.2274747708368188
Energy: 0.9757469869353453
Energy: 1.2274747708358362
Energy: 1.5964770447553263
Energy: 1.2654650589446321
Energy: 0.9367684490825627
Energy: 1.2654650589441407
Energy: 0.9323067561187713
Energy: 1.192847301098614
Energy: 1.04673749787713
Energy: 1.192847301098614
Energy: 1.4481880243481597
Energy: 1.4181526649218135
Energy: 0.9742772548907125
Energy: 1.4181526649218135
Energy: 0.9743115167739507
Energy: 1.1502686111826557
Energy: 1.7438785072218912
Energy: 1.1502686111826557
Energy: 1.1883724679031584
Energy: 1.181558606082892
Energy: 1.0142649168741624
Energy: 1.1815586060819094
Energy: 0.9289096617208603
Energy: 1.337576723649773
Energy: 1.6637045296404969
Energy: 1.337576723649773
Energy: 1.0126734249087745
Energy: 1.5791668118975253
Energy: 1.128657673723322
Energy: 1.5791668118975253
Energy: 1.0436886202325304
Energy: 1.1498119244381828
Energy: 1.9356017579319127
Energy: 1.1498119244372003
Energy: 0.943062742936064
Energy: 1.2620812848094398
Energy: 1.2628171766274123
Energy: 1.2620812848064922
Energy: 0.9295108335990699
Energy: 1.408716106435596
Energy: 1.9928929548442926
Energy: 1.408716106434122
Energy: 0.8541407593320881
Energy: 1.602853325840942
Energy: 1.3867360217990783
Energy: 1.6028533258419246
Energy: 0.9376501832453162
Energy: 1.150162722150701
Energy: 1.9410503710538678
Energy: 1.150162722151192
Energy: 1.074501207315499
Energy: 1.263183557594155
Energy: 1.262796094940959
Energy: 1.2631835575936636
Energy: 0.9294779443556579
Energy: 1.4099425378731585
Energy: 1.8521845177979972
Energy: 1.4099425378731585
Energy: 1.0598590397391714
Energy: 1.56897627788568
Energy: 1.1287262159770028
Energy: 1.5689762778861711
Energy: 0.9734540372777232
Energy: 1.0933281393627607
Energy: 1.5670211889459138
Energy: 1.0933281393637435
Energy: 1.2172707353550762
Energy: 1.1958566754852895
Energy: 0.9776222832382969
Energy: 1.1958566754847983
Energy: 0.9756645131398496
Energy: 1.4917057503032032
Energy: 1.4483022209686136
Energy: 1.4917057503027118
Energy: 1.2807707510613957
Energy: 1.6192426009531597
Energy: 0.9743977728044655
Energy: 1.6192426009546337
Energy: 1.0166919827780994
Energy: 1.1025086770862476
Energy: 1.1881576933765534
Energy: 1.1025086770872303
Energy: 1.6627564141003426
Energy: 1.4303721519750963
Energy: 0.9305461581651896
Energy: 1.4303721519755876
Energy: 1.0997843771457403
Energy: 1.6119331529477516
Energy: 1.011961465098933
Energy: 1.6119331529467689
Energy: 1.6487386384003337
Energy: 1.6191563414949002
Energy: 0.9019800158896812
Energy: 1.6191563414934262
Energy: 1.3184385740451494
Energy: 1.2621750765661295
Energy: 0.936503819806553
Energy: 1.2621750765666206
Energy: 1.891968993468874
Energy: 1.4089089514883812
Energy: 0.9301935193227269
Energy: 1.4089089514878899
Energy: 1.447183770654641
Energy: 1.6995828788864529
Energy: 0.8542559591289945
Energy: 1.699582878884979
Energy: 1.7641573975244418
Energy: 1.619456275406256
Energy: 0.9390541300045814
Energy: 1.619456275406256
Energy: 1.317956295174868
Energy: 1.2622294372762572
Energy: 0.8572594903833868
Energy: 1.2622294372752747
Energy: 1.748893785820372
Energy: 1.4106681572291626
Energy: 0.9303274276667143
Energy: 1.410668157231619
Energy: 1.0994906400004936
Energy: 1.5688552984295725
Energy: 1.0595363599309449
Energy: 1.5688552984290811
Energy: 1.457035341464901
Energy: 1.4528981044521507
Energy: 0.9760335853732479
Energy: 1.4528981044521507
Energy: 0.9804192728353209
Energy: 1.1961003402166142
Energy: 1.2173489357900185
Energy: 1.1961003402171055
Energy: 1.4482018029999897
Energy: 1.4891708397356576
Energy: 0.9756760103178378
Energy: 1.4891708397341838
Energy: 0.9757280978077149
Energy: 1.5929625018951772
Energy: 1.224447997178338
Energy: 1.5929625018961597
Energy: 1.0773873942549788
Energy: 1.4576734705458598
Energy: 1.0166124544898765
Energy: 1.4576734705434033
Energy: 0.9325559568057369
Energy: 1.4305423444770502
Energy: 1.6628649534265811
Energy: 1.4305423444756211
Energy: 1.0122785262899259
Energy: 1.6424077120139884
Energy: 1.1747554342617008
Energy: 1.6424077120139884
Energy: 0.9030310361615459
Energy: 1.774647084321038
Energy: 1.648600540522701
Energy: 1.774647084319564

minimum gb energy = 0.8541407593320881 eV
minimum distance =  2.45215895338694 Angstroms
sigma value = 113


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

Energy: 0.02150433419833432
Energy: 0.022797376568413855
Energy: 1.7089717386852752
Energy: 0.02279737656803617
Energy: 1.6590535447701193
Energy: 0.468848682874532
Energy: 0.4679491223200107
Energy: 0.468848682874532
Energy: 0.02150433419795664
Energy: 0.022797376568413855
Energy: 1.7079199546259214
Energy: 0.02279737656803617
Energy: 1.6590535448908106
Energy: 0.468848682874532
Energy: 0.4679491217862162
Energy: 0.468848682874532
Energy: 0.02150433419795664
Energy: 0.022797376568413855
Energy: 1.7089195676873483
Energy: 0.02279737656803617
Energy: 1.659053545403161
Energy: 0.4688486828741544
Energy: 0.4679491222790109
Energy: 0.468848682874532

minimum gb energy = 0.02150433419795664 eV
minimum distance =  2.7626439378852 Angstroms
sigma value = 1