Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000025868416
cohesive_energy=4.290337375544713
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6341560796146398e-19, 2.31524136672804e-19, 3.32184088057122e-19, 3.83942404218492e-19, 4.2713227974122996e-19, 4.64185818755748e-19, 4.96335095093592e-19, 5.244340689006839e-19, 5.4909797600448e-19, 5.70796254158742e-19, 5.89894199636022e-19, 6.066834085837079e-19, 6.21405809673534e-19, 6.34255266278214e-19, 6.454000069443179e-19, 6.5498422756890595e-19, 6.63126489222894e-19, 6.69937342094028e-19, 6.755065080738119e-19, 6.79917300347214e-19, 6.83243419039398e-19, 6.85550553392358e-19, 6.86896381764918e-19, 6.87333775986e-19, 6.86864338232238e-19, 6.85348679136474e-19, 6.82605752739066e-19, 6.78416060841156e-19, 6.72528061711206e-19, 6.6463093308222e-19, 6.543593786816461e-19, 6.41267993405232e-19, 6.24818445903954e-19, 6.04358650287774e-19, 5.79077905179888e-19, 5.47982861067216e-19, 5.098334332350419e-19, 4.6306910164185e-19, 4.0571278032128394e-19, 3.35229825838356e-19, 2.48334173916732e-19, 1.40717571587586e-19, 6.634196875469159e-21, -1.6170768766962e-19, -3.7536595269668996e-19, -6.50991603396978e-19, -1.0148875735708619e-18, -1.5109342768703339e-18, -2.21712406966188e-18, -3.2837250984483598e-18, -5.0314594796472595e-18, -8.22419696705076e-18, -1.491016016956446e-17, -3.1288426832395797e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01330240498423216
Energy: 0.013655439110978194
Energy: 2.0285128490874413
Energy: 1.1367298858013022
Energy: 0.013655439110978194
Energy: 0.23288372045177125
Energy: 1.135531732075188
Energy: 0.23288372045079084
Energy: 2.028512849128843
Energy: 1.1355317320742075
Energy: 1.437702796952568
Energy: 1.135531732075188
Energy: 1.1367298857874926
Energy: 0.23288372045177125
Energy: 1.1355317320742075
Energy: 0.23288372045177125

minimum gb energy = 0.01330240498423216 eV
minimum distance =  2.42803850808289 Angstroms
sigma value = 1


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

Energy: 2.1161283749818134
Energy: 1.00505018988732
Energy: 0.8682783642592448
Energy: 0.8682226140848417
Energy: 1.8455345891379207
Energy: 0.9352112004181533
Energy: 0.9357785360512192
Energy: 0.9352112004169303
Energy: 1.8348858762103424
Energy: 0.8686010528451371
Energy: 0.8694225648185345
Energy: 0.8686010528451371
Energy: 1.8427424103402497
Energy: 0.8971547708597856
Energy: 0.8977495031850661
Energy: 0.8971547708610086
Energy: 1.5591519319185927
Energy: 0.9012480068152657
Energy: 1.244605740056322
Energy: 0.9012480068140427
Energy: 1.8430013218746604
Energy: 0.8971516107072912
Energy: 1.1429484102942205
Energy: 0.8971516107072912
Energy: 1.8443097114793665
Energy: 0.868241289696549
Energy: 1.2061089155412161
Energy: 0.868241289696549
Energy: 1.509622720682856
Energy: 0.8682474514378861
Energy: 1.140292372249305
Energy: 0.868247451436663
Energy: 1.4386782111359633
Energy: 0.9386019880299851
Energy: 1.6204104402330626
Energy: 0.938601988028762
Energy: 1.5085341442880986
Energy: 1.2243142211916507
Energy: 1.5299040130278754
Energy: 1.2243142211916507
Energy: 1.5575517941337904
Energy: 0.9387674418721169
Energy: 1.508303960607414
Energy: 0.9387674418708939
Energy: 1.1409808542900106
Energy: 1.0687130402614888
Energy: 1.5021052761914193
Energy: 1.0687130402614888
Energy: 1.241454313828271
Energy: 0.86812225170268
Energy: 1.503401366019175
Energy: 0.86812225170268
Energy: 1.165640650003385
Energy: 0.8972896830644825
Energy: 1.843361972515195
Energy: 0.8972896830632595
Energy: 1.1692134042160358
Energy: 0.8754917913622235
Energy: 1.6094526012739345
Energy: 0.8754917913622235
Energy: 0.8680616871941554
Energy: 0.8967571322021376
Energy: 1.8230453627968077
Energy: 0.8967571322021376
Energy: 0.8685217804951055
Energy: 0.8685805274479964
Energy: 1.8577306084486114
Energy: 0.8685805274492194
Energy: 0.9368972359880774
Energy: 0.9354827445163761
Energy: 1.8451300640286232
Energy: 0.935482744517599
Energy: 0.8691399443796527
Energy: 0.8690549566796134
Energy: 1.7205046766473568
Energy: 0.8690549566783904
Energy: 0.9483115513582223
Energy: 0.8683691707222467
Energy: 1.8319100634285441
Energy: 0.8683691707234698
Energy: 0.9661872235644846
Energy: 0.8675288494747423
Energy: 1.8584519162783506
Energy: 0.8675288494747423
Energy: 0.966729491039145
Energy: 0.8677298073720551
Energy: 1.7135442105444472
Energy: 0.8677298073732781
Energy: 0.9659439059594087
Energy: 0.8685836052980176
Energy: 1.5620681268171779
Energy: 0.8685836053004636
Energy: 1.3195752593169434
Energy: 0.86817424389525
Energy: 1.734356579012006
Energy: 0.868174243896473
Energy: 1.3549285083093097
Energy: 0.8678065868852991
Energy: 1.7350144081395493
Energy: 0.8678065868840761
Energy: 1.3191746247634175
Energy: 0.8681993667569601
Energy: 1.320023537974051
Energy: 0.8681993667581831
Energy: 1.3203548856819223
Energy: 0.8679638482173156
Energy: 1.4421178973024273
Energy: 0.8679638482173156
Energy: 1.7142755689909057
Energy: 0.8679455184690167
Energy: 1.339879806251239
Energy: 0.8679455184702397
Energy: 1.6120653254308077
Energy: 0.8684901737171956
Energy: 1.3399179705952757
Energy: 0.8684901737171956
Energy: 1.5923001960502061
Energy: 0.8685929101448636
Energy: 0.9659716415347587
Energy: 0.8685929101436407
Energy: 1.7144855219472603
Energy: 0.8682629260428824
Energy: 0.9902127377504133
Energy: 0.8682629260441054
Energy: 1.8366840187894031
Energy: 0.935290947840585
Energy: 1.0690268597785872
Energy: 0.935290947840585
Energy: 1.8297811269782076
Energy: 0.8979468775535668
Energy: 0.9481142550809385
Energy: 0.8979468775596262

minimum gb energy = 0.8675288494747423 eV
minimum distance =  2.33341141986645 Angstroms
sigma value = 1


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

Energy: 2.3968219968501465
Energy: 1.0861740787321872
Energy: 0.8921276189549134
Energy: 0.8911293368155434
Energy: 1.7403279615324796
Energy: 0.8918880996012118
Energy: 0.9752473219601127
Energy: 0.8918880996012118
Energy: 1.7604722083310345
Energy: 0.8910950761486939
Energy: 0.8905687084034124
Energy: 0.8910950761486939
Energy: 1.7615270686138238
Energy: 0.8912048818047581
Energy: 0.8915025738644045
Energy: 0.8912048818047581
Energy: 1.607545953823073
Energy: 0.8910737138115035
Energy: 1.1443418892699941
Energy: 0.8910737138115035
Energy: 1.7610500664862057
Energy: 0.8911916211806814
Energy: 1.2303198061821703
Energy: 0.8911916211806814
Energy: 1.7612501584261309
Energy: 0.8912039217884459
Energy: 1.1026398015585865
Energy: 0.8912039217884459
Energy: 1.5166620430424091
Energy: 0.8927644253023713
Energy: 1.101494739761704
Energy: 0.8927644253009769
Energy: 1.5146166599006718
Energy: 0.9796362906447456
Energy: 1.3573729983293166
Energy: 0.9796362906447456
Energy: 1.5720844631405728
Energy: 0.9791314807260963
Energy: 1.5153450703616456
Energy: 0.9791314807260963
Energy: 1.571256560215214
Energy: 0.9787236214602735
Energy: 1.461129308920317
Energy: 0.9787236214616677
Energy: 1.1019278282829839
Energy: 1.1119631753585972
Energy: 1.2817426824436113
Energy: 1.1119631753585972
Energy: 1.1800085921153853
Energy: 0.8911724391231283
Energy: 1.7701125552097903
Energy: 0.8911724391231283
Energy: 1.176102870722498
Energy: 0.976053686595823
Energy: 1.7615086761729728
Energy: 0.976053686595823
Energy: 1.0855543421398135
Energy: 0.8932009434092877
Energy: 1.7302336790276114
Energy: 0.8932009434078932
Energy: 0.8923293919652495
Energy: 0.9749211647410716
Energy: 1.7404717476100964
Energy: 0.9749211647410716
Energy: 0.8910897510878805
Energy: 0.8909755345464945
Energy: 1.7618781180022938
Energy: 0.8909755345451001
Energy: 0.9754545560164025
Energy: 0.9745538506853815
Energy: 1.7616275953620288
Energy: 0.974553850686776
Energy: 0.8916008716683177
Energy: 0.8910443172993776
Energy: 1.6075203527786317
Energy: 0.8910443172993776
Energy: 1.1451045706269602
Energy: 0.890861207611603
Energy: 1.7617399807383884
Energy: 0.890861207611603
Energy: 1.101302619010695
Energy: 0.8914313606802448
Energy: 1.7601340916824781
Energy: 0.8914313606802448
Energy: 1.101680633712004
Energy: 0.8918921827320198
Energy: 1.5727155993087392
Energy: 0.8918921827320198
Energy: 1.1589386939318276
Energy: 0.9794359362514172
Energy: 1.6174611358796438
Energy: 0.9794359362514172
Energy: 1.516262759801366
Energy: 0.9795967041686258
Energy: 1.5723458120375287
Energy: 0.9795967041686258
Energy: 1.3742898952036275
Energy: 0.9796221991863574
Energy: 1.572554709202247
Energy: 0.9796221991863574
Energy: 1.2801323924067485
Energy: 0.9794908512571251
Energy: 1.1012341197311364
Energy: 0.9794908512571251
Energy: 1.5162238746165908
Energy: 0.8909705329863152
Energy: 1.1810775280717192
Energy: 0.8909705329863152
Energy: 1.762098760625205
Energy: 0.9749069415374785
Energy: 1.1749213802781036
Energy: 0.9749069415374785
Energy: 1.7293635623380557
Energy: 0.8929286068057267
Energy: 1.0855496330012282
Energy: 0.8929286068057267

minimum gb energy = 0.8905687084034124 eV
minimum distance =  2.34662479861626 Angstroms
sigma value = 25


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

Energy: 2.251534964212024
Energy: 1.0711846555218738
Energy: 0.9431335029697708
Energy: 0.9678759359438057
Energy: 1.6202593010165935
Energy: 0.9765199785451152
Energy: 1.0186911028308494
Energy: 0.9765199785451152
Energy: 1.6364146940454345
Energy: 0.9420294197806317
Energy: 0.9421581759143697
Energy: 0.9420294197806317
Energy: 1.6365425718627524
Energy: 0.9679131280342362
Energy: 0.9679093269788189
Energy: 0.9679131280342362
Energy: 1.5206470414083555
Energy: 0.976523102247214
Energy: 1.271079701001056
Energy: 0.9765231022488351
Energy: 1.6357336250264705
Energy: 0.9680265845191319
Energy: 1.3297801062092247
Energy: 0.9680265845191319
Energy: 1.635350911329195
Energy: 0.9425241955693817
Energy: 1.305011496767987
Energy: 0.9425241955693817
Energy: 1.3039477053703805
Energy: 1.038920114041272
Energy: 1.3070224925046672
Energy: 1.038920114041272
Energy: 1.3474931848586646
Energy: 0.9424292428799148
Energy: 1.4497717351116617
Energy: 0.9424292428799148
Energy: 1.330153628942901
Energy: 0.9678719186705333
Energy: 1.6358967145817174
Energy: 0.9678719186705333
Energy: 1.3023243458268
Energy: 0.9765757739379085
Energy: 1.644372320615379
Energy: 0.9765757739362874
Energy: 0.9682956750224649
Energy: 0.9683698745611803
Energy: 1.6297597857195472
Energy: 0.9683698745611803
Energy: 0.9417675820007266
Energy: 0.9421394579782665
Energy: 1.6360665577426838
Energy: 0.9421394579782665
Energy: 1.071696825612632
Energy: 1.0183003520690872
Energy: 1.6401887857770656
Energy: 1.0183003520690872
Energy: 0.9685439401257775
Energy: 0.9680834154005137
Energy: 1.5821463967403082
Energy: 0.9680834154005137
Energy: 1.1655476088244783
Energy: 1.0176218173760327
Energy: 1.6321372550260267
Energy: 1.0176218173760327
Energy: 1.0763054707228206
Energy: 0.942247615466423
Energy: 1.6396780627763876
Energy: 0.942247615466423
Energy: 1.0765948143583344
Energy: 0.9424441606809149
Energy: 1.5187768954474414
Energy: 0.9424441606809149
Energy: 1.103247684234094
Energy: 1.0394802051261325
Energy: 1.3963546849695827
Energy: 1.0394802051245113
Energy: 1.5197201050802949
Energy: 1.039650269399738
Energy: 1.5196780990129102
Energy: 1.039650269399738
Energy: 1.3972489917149087
Energy: 1.040181796921714
Energy: 1.5197746996202808
Energy: 1.040181796920093
Energy: 1.3977688143076414
Energy: 1.0397094929521407
Energy: 1.1194872078334261
Energy: 1.0397094929521407
Energy: 1.5177370805749233
Energy: 0.9424254823084385
Energy: 1.1056069451623507
Energy: 0.9424254823084385
Energy: 1.63895962711426
Energy: 0.9891028688238351
Energy: 1.1189814821620598
Energy: 0.9891028688238351
Energy: 1.6398989157039177
Energy: 0.9680357439216098
Energy: 1.0400071347075333
Energy: 0.9680357439232308

minimum gb energy = 0.9417675820007266 eV
minimum distance =  2.32739388231993 Angstroms
sigma value = 9


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

Energy: 2.3293394651317616
Energy: 1.11404527572759
Energy: 1.1201466874432613
Energy: 1.0541055886577755
Energy: 1.618074441163697
Energy: 1.1193360176089564
Energy: 1.1186623651377372
Energy: 1.1193360176087586
Energy: 1.6236852191168953
Energy: 1.0528151844843314
Energy: 1.0528469910626475
Energy: 1.052815184483936
Energy: 1.8632380432795157
Energy: 1.1677159648271658
Energy: 1.168311691412009
Energy: 1.1677159648273636
Energy: 1.4589662681208821
Energy: 1.0847790989425392
Energy: 1.1493139578422535
Energy: 1.0847790989425392
Energy: 1.6056698695622242
Energy: 1.1433010838662245
Energy: 1.2835949612489366
Energy: 1.1433010838664224
Energy: 1.51661225103662
Energy: 1.0288226128304105
Energy: 1.170592988581717
Energy: 1.028822612830806
Energy: 1.345834251859066
Energy: 1.0287572425918001
Energy: 1.1926087303468889
Energy: 1.0287572425918001
Energy: 1.3454536500435144
Energy: 0.9261530822975206
Energy: 1.4902342458721969
Energy: 0.9261530822976963
Energy: 1.3454475441157558
Energy: 0.9272593481821751
Energy: 1.4730737279429178
Energy: 0.9272593481817796
Energy: 1.345289242260098
Energy: 0.9259182699746576
Energy: 1.472596838120206
Energy: 0.9259182699740862
Energy: 1.072182194619888
Energy: 0.9266173776281669
Energy: 1.4692106713176978
Energy: 0.9266173776275956
Energy: 1.072317765267704
Energy: 0.9261561480416581
Energy: 1.472761090868604
Energy: 0.9261561480416581
Energy: 1.222781547218642
Energy: 1.0670174082471142
Energy: 1.4480484688816242
Energy: 1.0670174082477077
Energy: 1.0721349937760747
Energy: 0.9266737128570985
Energy: 1.4587185316711775
Energy: 0.9266737128574722
Energy: 1.4413376686399182
Energy: 1.0670102610195413
Energy: 1.6924953675305419
Energy: 1.0670102610191678
Energy: 1.1704833236215468
Energy: 1.0103607001310186
Energy: 1.4487690930919692
Energy: 1.0103607001304253
Energy: 1.1540070706287748
Energy: 1.010252425017153
Energy: 1.3796177530008342
Energy: 1.010252425017153
Energy: 1.328915378411614
Energy: 1.0529893713245653
Energy: 1.3542269861750806
Energy: 1.052989371324763
Energy: 1.6776013566775447
Energy: 1.0886756913442415
Energy: 1.380188000036414
Energy: 1.0886756913440438
Energy: 1.6176406319519918
Energy: 1.2209784240880108
Energy: 1.3143702492630898
Energy: 1.2209784240866703

minimum gb energy = 0.9259182699740862 eV
minimum distance =  2.31513761941885 Angstroms
sigma value = 25


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

Energy: 1.7193972031581604
Energy: 1.043437366788795
Energy: 1.1548325863202484
Energy: 1.1022415410223407
Energy: 1.3164055444795453
Energy: 1.1993781772817087
Energy: 1.199312054844783
Energy: 1.1993781772805132
Energy: 1.3905892480127218
Energy: 1.0246393001732457
Energy: 1.025265301217216
Energy: 1.0246393001744414
Energy: 1.3530515318146261
Energy: 1.0758828649736156
Energy: 1.1596226870185133
Energy: 1.0758828649740773
Energy: 1.2815653756395253
Energy: 1.063711133598017
Energy: 1.3131182303488331
Energy: 1.0637111335977725
Energy: 1.4339556065127872
Energy: 1.1335599218670356
Energy: 1.3952461730295282
Energy: 1.1335599218665737
Energy: 1.4347231484247236
Energy: 1.1323289933609433
Energy: 1.4967371753533598
Energy: 1.1323289933614324
Energy: 1.0762845239232983
Energy: 1.075938735809882
Energy: 1.4979077809389092
Energy: 1.0759387358094201
Energy: 1.0239564975936948
Energy: 1.0246757910367477
Energy: 1.3540765966502741
Energy: 1.0246757910367477
Energy: 1.1999804258048494
Energy: 1.204034243606744
Energy: 1.4780722062828786
Energy: 1.204034243606744
Energy: 1.0720482446846193
Energy: 1.0260992336857448
Energy: 1.5694249365749853
Energy: 1.0260992336859895
Energy: 1.415981774929061
Energy: 1.2041200542192623
Energy: 1.5698926331654348
Energy: 1.2041200542188004
Energy: 1.2223810594210496
Energy: 1.0249438041214336
Energy: 1.4806905481010764
Energy: 1.024943804121678
Energy: 1.223016165543368
Energy: 1.0247484095180375
Energy: 1.2921265415251464
Energy: 1.0247484095189885
Energy: 1.3874902410109067
Energy: 1.0249714108509391
Energy: 1.2922365869645056
Energy: 1.0249714108506944
Energy: 1.4802044935142917
Energy: 1.0247784255953483
Energy: 1.346092535745336
Energy: 1.0247784255955927
Energy: 1.6381053592421582
Energy: 1.203386078649652
Energy: 1.3166221643461582
Energy: 1.2033860786494075

minimum gb energy = 1.0239564975936948 eV
minimum distance =  2.34043874121764 Angstroms
sigma value = 17


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

Energy: 1.5600567376680976
Energy: 1.0882116254829604
Energy: 1.272941312784812
Energy: 1.2372205893906716
Energy: 1.5325947692863786
Energy: 1.2830981643460027
Energy: 1.2832015979123246
Energy: 1.2830981643446484
Energy: 1.314494785794142
Energy: 1.1029975960210485
Energy: 1.145729385679406
Energy: 1.1029975960183707
Energy: 1.3122538009884666
Energy: 1.127923284981309
Energy: 1.1739970395363122
Energy: 1.1279232849799545
Energy: 1.2953900488252008
Energy: 1.2537533517628183
Energy: 1.338245543727525
Energy: 1.2537533517641728
Energy: 1.345267739368245
Energy: 1.3101061032283108
Energy: 1.4834250555788613
Energy: 1.3101061032283108
Energy: 1.3902168777706396
Energy: 1.181348266862415
Energy: 1.2973379405548424
Energy: 1.181348266862415
Energy: 1.1823351803966407
Energy: 1.1821773938837596
Energy: 1.4123311347907754
Energy: 1.1821773938851143
Energy: 1.100930434488218
Energy: 1.0700142842031577
Energy: 1.4336333270722352
Energy: 1.0700142842031577
Energy: 1.1359827687187782
Energy: 1.1366185934970954
Energy: 1.3702613555531469
Energy: 1.1366185934970954
Energy: 1.1280650094942963
Energy: 1.1339974315969785
Energy: 1.3522694609449915
Energy: 1.133997431595624
Energy: 1.386254913022515
Energy: 1.137131481047196
Energy: 1.3710740535749688
Energy: 1.137131481047196
Energy: 1.304806380086924
Energy: 1.1373341847175467
Energy: 1.352005622650132
Energy: 1.1373341847161922
Energy: 1.3030709677739534
Energy: 1.1369655696075964
Energy: 1.1654976162794797
Energy: 1.1369655696075964
Energy: 1.3615012584331938
Energy: 1.0705309500454763
Energy: 1.1359489867901669
Energy: 1.0705309500454763
Energy: 1.4745563775173105
Energy: 1.0710384762752596
Energy: 1.1283601760259294
Energy: 1.0710384762752596
Energy: 1.358939179899385
Energy: 1.1808788028048902
Energy: 1.1825234942823948
Energy: 1.1808788028048902
Energy: 1.3592208614335244
Energy: 1.1813274436239816
Energy: 1.3908352125073953
Energy: 1.1813274436239816
Energy: 1.4832625509481312
Energy: 1.1819018030257529
Energy: 1.3807969560791071
Energy: 1.1819018030257529
Energy: 1.1796579474807376
Energy: 1.2534108378605848
Energy: 1.272383838543042
Energy: 1.253410837861939
Energy: 1.1279188302553662
Energy: 1.128632552268918
Energy: 1.3242220712913408
Energy: 1.1286325522675638
Energy: 1.1791349938908062
Energy: 1.1038757597955995
Energy: 1.4642966929548138
Energy: 1.1038757597955995
Energy: 1.2839914929713925
Energy: 1.284021674199686
Energy: 1.4732272159787678
Energy: 1.2840216742010404
Energy: 1.3526676488715657
Energy: 1.2401780394405173
Energy: 1.355166538435039
Energy: 1.2401780394405173
Energy: 1.4044684171081758
Energy: 1.2833025863130552
Energy: 1.29548737324304
Energy: 1.2833025863130552
Energy: 1.2056040166267743
Energy: 1.1038529355351279
Energy: 1.3238494665244784
Energy: 1.1038529355351279
Energy: 1.2705173733315502
Energy: 1.1032040649413
Energy: 1.2481784419250102
Energy: 1.1032040649399455
Energy: 1.312613773783032
Energy: 1.103737447160048
Energy: 1.205443068255792
Energy: 1.1037374471614025
Energy: 1.571343975669646
Energy: 1.282803052186328
Energy: 1.3857954327638586
Energy: 1.2828030521849736
Energy: 1.4075724262935483
Energy: 1.1033165620456737
Energy: 1.2626887845432984
Energy: 1.1033165620456737

minimum gb energy = 1.0700142842031577 eV
minimum distance =  2.28471359514867 Angstroms
sigma value = 53


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

Energy: 1.060291425480016
Energy: 1.0641665266731546
Energy: 1.1807654004317873
Energy: 1.6111298480777316
Energy: 1.1846360523047061
Energy: 1.1396950923877998
Energy: 1.170582038598208
Energy: 1.1396950923877998
Energy: 1.4801452825712689
Energy: 1.1021228230710396
Energy: 1.173158126435796
Energy: 1.1021228230710396
Energy: 1.4793505018864381
Energy: 1.180991473249942
Energy: 1.269009310926703
Energy: 1.180991473249942
Energy: 1.4542443147764919
Energy: 1.2661284478521782
Energy: 1.2695848415638522
Energy: 1.2661284478518593
Energy: 1.4787709735716923
Energy: 1.1798891087020529
Energy: 1.2698362541925536
Energy: 1.1798891087020529
Energy: 1.2689380411702595
Energy: 1.0997540269840043
Energy: 1.061932870045763
Energy: 1.0997540269840043
Energy: 1.1738203564083425
Energy: 1.14138642931408
Energy: 1.062381604542115
Energy: 1.1413864293137965
Energy: 1.1729279894970022
Energy: 1.1404490240457712
Energy: 1.269695216055369
Energy: 1.1404490240457712
Energy: 1.170145283078265
Energy: 1.1799340455955512
Energy: 1.4789736904513442
Energy: 1.1799340455955512
Energy: 1.2839225511742856
Energy: 1.266449912203903
Energy: 1.454521690235841
Energy: 1.266449912203584
Energy: 1.2672518704271376
Energy: 1.1808872369024503
Energy: 1.4791995638078543
Energy: 1.180887236902734
Energy: 1.0624192723274484
Energy: 1.1002580436318978
Energy: 1.4799487035651182
Energy: 1.100258043631579

minimum gb energy = 1.060291425480016 eV
minimum distance =  2.29320809299355 Angstroms
sigma value = 9


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

Energy: 1.6715268546486834
Energy: 1.3852392710292747
Energy: 1.4017360875039802
Energy: 1.4001861237013726
Energy: 1.7414435796927747
Energy: 1.4199003970469424
Energy: 1.402527889643289
Energy: 1.4199003970480968
Energy: 1.4375439798236767
Energy: 1.2782870497603906
Energy: 1.301456281392159
Energy: 1.2782870497626986
Energy: 1.3350820793446592
Energy: 1.2353662315439828
Energy: 1.2676413263939195
Energy: 1.2353662315439828
Energy: 1.2661199964282788
Energy: 1.2782746136985905
Energy: 1.356761152391677
Energy: 1.2782746136997445
Energy: 1.391177941388784
Energy: 1.3463090441901475
Energy: 1.641046435449113
Energy: 1.3463090441889933
Energy: 1.4010108360642686
Energy: 1.4015339024452438
Energy: 1.6586965387942834
Energy: 1.401533902447552
Energy: 1.4822438868195869
Energy: 1.401035150530971
Energy: 1.658468918309571
Energy: 1.401035150530971
Energy: 1.4772773690874512
Energy: 1.1952512004841098
Energy: 1.6839914905660334
Energy: 1.1952512004829559
Energy: 1.3270652345623748
Energy: 1.3090445477033572
Energy: 1.1953749294493923
Energy: 1.3090445477045112
Energy: 1.4579031590530123
Energy: 1.1959606105923655
Energy: 1.1930176759619928
Energy: 1.1959606105935197
Energy: 1.6915459900894576
Energy: 1.2616078904062786
Energy: 1.3012606380676666
Energy: 1.2616078904062786
Energy: 1.6616761116417575
Energy: 1.2901733088647347
Energy: 1.2895011117995545
Energy: 1.2901733088635807
Energy: 1.6619061014281962
Energy: 1.2903741290003239
Energy: 1.4745755354047754
Energy: 1.2903741289991697
Energy: 1.7258803829259086
Energy: 1.4301739479458981
Energy: 1.5224160950665973
Energy: 1.430173947944744
Energy: 1.282175055005446
Energy: 1.1938007225288132
Energy: 1.508967054869068
Energy: 1.1938007225288132
Energy: 1.1923001914651765
Energy: 1.192431983160347
Energy: 1.5647302836089703
Energy: 1.192431983160347
Energy: 1.276269477924471
Energy: 1.3330203838112462
Energy: 1.6250526853535174
Energy: 1.3330203838135544
Energy: 1.222857837405259
Energy: 1.2234138860933046
Energy: 1.6171607325697932
Energy: 1.2234138860944583
Energy: 1.223475398516197
Energy: 1.224082756006489
Energy: 1.5648117799611934
Energy: 1.224082756006489
Energy: 1.618319303459936
Energy: 1.222782247388884
Energy: 1.5875737850694702
Energy: 1.222782247388884
Energy: 1.616855449412783
Energy: 1.2233998163853308
Energy: 1.4986155415414202
Energy: 1.223399816387639
Energy: 1.6171875487169487
Energy: 1.223888357627448
Energy: 1.2231653256275528
Energy: 1.22388835762514
Energy: 1.6456819308213737
Energy: 1.2377962758322658
Energy: 1.2228718297374055
Energy: 1.2377962758334198
Energy: 1.571604288075597
Energy: 1.1925922759660794
Energy: 1.190508707888743
Energy: 1.1925922759672336
Energy: 1.4183532464959647
Energy: 1.1932891365418554
Energy: 1.1929790522367807
Energy: 1.1932891365407012
Energy: 1.5514548137291024
Energy: 1.1921222078696887
Energy: 1.6155668645639183
Energy: 1.1921222078685345
Energy: 1.523018795353849
Energy: 1.2892166042716855
Energy: 1.678201844410343
Energy: 1.2892166042705315
Energy: 1.2893706367676467
Energy: 1.2904434307329007
Energy: 1.6140774130753892
Energy: 1.2904434307340547
Energy: 1.2892752707522306
Energy: 1.289422253772185
Energy: 1.7115249593834905
Energy: 1.289422253771031
Energy: 1.1959337623156672
Energy: 1.1957704320681604
Energy: 1.5029179034965368
Energy: 1.1957704320681604
Energy: 1.196271963274381
Energy: 1.1963492004354455
Energy: 1.44735742560857
Energy: 1.1963492004354455
Energy: 1.2342923855296621
Energy: 1.3091007406430795
Energy: 1.4201598379213454
Energy: 1.3091007406419253
Energy: 1.733120836427761
Energy: 1.5045515012107462
Energy: 1.4734769086787143
Energy: 1.504551501208438
Energy: 1.611277608556702
Energy: 1.4127003208284443
Energy: 1.4607912373594247
Energy: 1.4127003208284443

minimum gb energy = 1.190508707888743 eV
minimum distance =  2.2692983202802 Angstroms
sigma value = 73


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

Energy: 2.049710471411432
Energy: 1.3409773401861547
Energy: 1.38200034908408
Energy: 1.3823852588401329
Energy: 1.6471877139923217
Energy: 1.315358358951735
Energy: 1.3818486180585543
Energy: 1.3153583589515478
Energy: 1.4113359600373956
Energy: 1.282458533369175
Energy: 1.2815444334087789
Energy: 1.2824585333693623
Energy: 1.2849528680786253
Energy: 1.282806504040191
Energy: 1.2815404564684392
Energy: 1.2828065040400245
Energy: 1.2802061001796121
Energy: 1.2986239505734027
Energy: 1.3304992867863839
Energy: 1.2986239505732156
Energy: 1.3689377633399353
Energy: 1.3246547701945155
Energy: 1.5190398425899365
Energy: 1.3246547701941411
Energy: 1.381361855551165
Energy: 1.3830866078348198
Energy: 1.6406089350158948
Energy: 1.3830866078348198
Energy: 1.501132548398063
Energy: 1.3821033470763269
Energy: 1.641710680183249
Energy: 1.382103347076514
Energy: 1.5024993743958326
Energy: 1.1841168214639506
Energy: 1.5994709926851094
Energy: 1.1841168214643043
Energy: 1.3654964019453404
Energy: 1.1804497015917814
Energy: 1.1841769569773588
Energy: 1.1804497015917814
Energy: 1.5045718038203841
Energy: 1.1838442117521915
Energy: 1.1804638544529793
Energy: 1.1838442117525452
Energy: 1.6436391202107483
Energy: 1.299159197638329
Energy: 1.228720711864691
Energy: 1.2991591976374135
Energy: 1.4948614439305932
Energy: 1.2240119782505865
Energy: 1.2287590659175924
Energy: 1.224011978251148
Energy: 1.4908174837082604
Energy: 1.2245882789306568
Energy: 1.5330995193530845
Energy: 1.2245882789306568
Energy: 1.5869404721535363
Energy: 1.2386332809924647
Energy: 1.632673684699894
Energy: 1.238633280992839
Energy: 1.410034835518289
Energy: 1.2234712455530399
Energy: 1.6170288345443897
Energy: 1.2234712455539551
Energy: 1.2235594742234586
Energy: 1.223512282695319
Energy: 1.6167357930660244
Energy: 1.2235122826956728
Energy: 1.2379854646374195
Energy: 1.2998173483974447
Energy: 1.5990822471998265
Energy: 1.299817348396883
Energy: 1.1816038486221387
Energy: 1.183846219187516
Energy: 1.529967708337762
Energy: 1.1838462191871415
Energy: 1.1850612550876591
Energy: 1.1802537778866875
Energy: 1.5052326888793441
Energy: 1.180253777886313
Energy: 1.554403833468813
Energy: 1.1834128234820787
Energy: 1.4868907881104947
Energy: 1.1834128234818913
Energy: 1.608254550767248
Energy: 1.3909741546851833
Energy: 1.501525990840135
Energy: 1.3909741546796905

minimum gb energy = 1.180253777886313 eV
minimum distance =  2.25903103191705 Angstroms
sigma value = 7


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

Energy: 2.4528385704537934
Energy: 1.279647832427345
Energy: 1.401993210045534
Energy: 1.3990160102896472
Energy: 1.6067491301279633
Energy: 1.2745987979412097
Energy: 1.3972244405050815
Energy: 1.2745987979399147
Energy: 1.4526653406740435
Energy: 1.2464649914398065
Energy: 1.3017597997208534
Energy: 1.246464991438512
Energy: 1.3019368979260488
Energy: 1.2473933456471795
Energy: 1.2992707160013628
Energy: 1.2473933456471795
Energy: 1.2984348898026044
Energy: 1.2474300054986645
Energy: 1.3063966732714303
Energy: 1.2474300054986645
Energy: 1.3648549584007825
Energy: 1.273471923823032
Energy: 1.4788281882371868
Energy: 1.273471923823032
Energy: 1.3985642878431843
Energy: 1.3999484944178637
Energy: 1.5672158111509198
Energy: 1.3999484944178637
Energy: 1.5830182102924588
Energy: 1.398597103089945
Energy: 1.567329831947027
Energy: 1.398597103089945
Energy: 1.5331173565737684
Energy: 1.2096856964301934
Energy: 1.481370245582332
Energy: 1.2096856964301934
Energy: 1.4142099164728648
Energy: 1.2134718884379254
Energy: 1.210522085455064
Energy: 1.2134718884379254
Energy: 1.5326613039059138
Energy: 1.2098479245344869
Energy: 1.2078151001995872
Energy: 1.2098479245344869
Energy: 1.606616417222745
Energy: 1.1984800282044816
Energy: 1.209801794516377
Energy: 1.1984800282044816
Energy: 1.5349481928434452
Energy: 1.2100278757753786
Energy: 1.2118385254674053
Energy: 1.2100278757753786
Energy: 1.5353780968901651
Energy: 1.2107403702134372
Energy: 1.4731074092098453
Energy: 1.2107403702134372
Energy: 1.585270293013154
Energy: 1.2732393525721122
Energy: 1.4837908551238852
Energy: 1.2732393525721122
Energy: 1.583158714176247
Energy: 1.40684247909593
Energy: 1.607857464956536
Energy: 1.4068424790972247
Energy: 1.3993162662268395
Energy: 1.27548741925797
Energy: 1.6080648328027765
Energy: 1.27548741925797
Energy: 1.3376287552380193
Energy: 1.2490119247449927
Energy: 1.4792189642302953
Energy: 1.2490119247449927
Energy: 1.3014607295799356
Energy: 1.2478330676215927
Energy: 1.3035501035892072
Energy: 1.2478330676228877
Energy: 1.3021186641567752
Energy: 1.313821554477156
Energy: 1.3031154067370776
Energy: 1.313821554477156
Energy: 1.478705097484702
Energy: 1.2686008428188886
Energy: 1.3673236697957123
Energy: 1.2686008428188886
Energy: 1.5671560548019794
Energy: 1.39940018078332
Energy: 1.4004838324647186
Energy: 1.39940018078332
Energy: 1.566907925339472
Energy: 1.399637631544026
Energy: 1.5846022003259308
Energy: 1.399637631544026
Energy: 1.4828495971185494
Energy: 1.2101254128411774
Energy: 1.559827649350409
Energy: 1.2101254128411774
Energy: 1.4012762092894078
Energy: 1.2132397384589724
Energy: 1.4146221829796666
Energy: 1.2132397384576779
Energy: 1.2080508967358001
Energy: 1.210632904177107
Energy: 1.4142699726139099
Energy: 1.210632904177107
Energy: 1.1975265931489725
Energy: 1.1998967713770723
Energy: 1.6052372403566997
Energy: 1.1998967713770723
Energy: 1.2082114923735687
Energy: 1.2095318639176378
Energy: 1.534493618668335
Energy: 1.2095318639176378
Energy: 1.2115951890846346
Energy: 1.2129368656012536
Energy: 1.5355321524499095
Energy: 1.2129368656012536
Energy: 1.483008758420088
Energy: 1.2094386346047716
Energy: 1.55998748557301
Energy: 1.2094386346047716
Energy: 1.6075527261286295
Energy: 1.4052944263215186
Energy: 1.5853680446665208
Energy: 1.4052944263202238

minimum gb energy = 1.1975265931489725 eV
minimum distance =  2.27116483048596 Angstroms
sigma value = 29


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

Energy: 1.717191669194751
Energy: 1.0897935478741583
Energy: 1.3236306076312871
Energy: 1.32389683642257
Energy: 1.387799987143733
Energy: 1.1561465979039205
Energy: 1.227632012644839
Energy: 1.1561465979034697
Energy: 1.2335176276445297
Energy: 1.1554828873836474
Energy: 1.2466548107716262
Energy: 1.1554828873836474
Energy: 1.246292335992456
Energy: 1.151184639225236
Energy: 1.0614152708078224
Energy: 1.151184639225236
Energy: 1.2481958485322788
Energy: 1.1507764839168917
Energy: 1.2636666913747514
Energy: 1.1507764839168917
Energy: 1.2434305455014156
Energy: 1.1515789751778498
Energy: 1.2633194249464539
Energy: 1.1515789751778498
Energy: 1.3243307420005097
Energy: 1.3252013434711023
Energy: 1.2282790383837179
Energy: 1.3252013434719794
Energy: 1.3232175438053182
Energy: 1.3240754915386614
Energy: 1.312759303415662
Energy: 1.3240754915391124
Energy: 1.3890907359813482
Energy: 1.15488048399218
Energy: 1.2630978444031284
Energy: 1.15488048399218

minimum gb energy = 1.0614152708078224 eV
minimum distance =  2.35299681543072 Angstroms
sigma value = 5


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

Energy: 1.5648275849270534
Energy: 1.503844332889759
Energy: 1.6084985380078196
Energy: 1.6061752390128088
Energy: 1.4191964267748634
Energy: 1.287251431265736
Energy: 1.3780106821229996
Energy: 1.287251431265736
Energy: 1.170672304652613
Energy: 1.1963930527556406
Energy: 1.4225322554371054
Energy: 1.1963930527556406
Energy: 1.168554160837847
Energy: 1.1915596905769195
Energy: 1.3783610215863753
Energy: 1.1915596905769195
Energy: 1.1678251852323085
Energy: 1.1705649579869637
Energy: 1.367090238284581
Energy: 1.170564957985741
Energy: 1.1751916153376947
Energy: 1.2363132513314004
Energy: 1.3124010172111447
Energy: 1.2363132513314004
Energy: 1.174183465764999
Energy: 1.236228356838128
Energy: 1.3198740959328918
Energy: 1.2362283568393508
Energy: 1.3168851797016776
Energy: 1.241701004113277
Energy: 1.3156348002086526
Energy: 1.241701004113277
Energy: 1.4336169500496576
Energy: 1.2320509566720768
Energy: 1.3187103857557096
Energy: 1.2320509566720768
Energy: 1.4407405681213026
Energy: 1.411368477118956
Energy: 1.4391287352443054
Energy: 1.4113684771177333
Energy: 1.4330871237121272
Energy: 1.2630177514919587
Energy: 1.4066672890839487
Energy: 1.2630177514919587
Energy: 1.4501535397298109
Energy: 1.3372831635160125
Energy: 1.461792349384546
Energy: 1.3372831635135665
Energy: 1.3938992003291477
Energy: 1.392521704717819
Energy: 1.458029633966657
Energy: 1.3925217047190424
Energy: 1.2315237040325688
Energy: 1.2635760891614367
Energy: 1.315499843362638
Energy: 1.2635760891626597
Energy: 1.3173954322758026
Energy: 1.2373126093886258
Energy: 1.1777142285394806
Energy: 1.2373126093886258
Energy: 1.3032542360681076
Energy: 1.2396987911965447
Energy: 1.1781224703136592
Energy: 1.2396987911953217
Energy: 1.3862962024012693
Energy: 1.219311852341324
Energy: 1.2232956088894924
Energy: 1.219311852341324
Energy: 1.3809028545239743
Energy: 1.1921575414963688
Energy: 1.1683878341719263
Energy: 1.192157541497592
Energy: 1.4268429565854321
Energy: 1.1896954869170775
Energy: 1.1703031093612781
Energy: 1.1896954869170775
Energy: 1.4065566284929403
Energy: 1.181579650498599
Energy: 1.1698985884481163
Energy: 1.181579650498599
Energy: 1.4776060477125483
Energy: 1.4299380283845384
Energy: 1.5682465616196442
Energy: 1.4299380283833154
Energy: 1.6547270540923622
Energy: 1.4773083176144537
Energy: 1.5687146482696135
Energy: 1.4773083176144537
Energy: 1.4753544343449028
Energy: 1.1821895806350178
Energy: 1.3185782810299318
Energy: 1.1821895806362406
Energy: 1.4659585833135285
Energy: 1.2311013052830162
Energy: 1.2883497721402084
Energy: 1.2311013052830162
Energy: 1.4643778873986761
Energy: 1.1820701567890672
Energy: 1.2318809153649344
Energy: 1.182070156787844
Energy: 1.370030263558713
Energy: 1.2702952776891439
Energy: 1.2346149383430693
Energy: 1.2702952776891439
Energy: 1.2184636881034092
Energy: 1.2673176968473563
Energy: 1.2190805695415996
Energy: 1.2673176968473563
Energy: 1.221137795860013
Energy: 1.2655227685569048
Energy: 1.2324309256309016
Energy: 1.2655227685569048
Energy: 1.2088159476784468
Energy: 1.3378968235986548
Energy: 1.3705547105627929
Energy: 1.3378968235986548
Energy: 1.2289220229082105
Energy: 1.2309865370596649
Energy: 1.4206223167528025
Energy: 1.2309865370596649
Energy: 1.2890416791497437
Energy: 1.2310247553405247
Energy: 1.4206697760858271
Energy: 1.2310247553405247
Energy: 1.2875197581402837
Energy: 1.1818309241998506
Energy: 1.3826429903347317
Energy: 1.1818309241986276
Energy: 1.4766343196437413
Energy: 1.5335384237870322
Energy: 1.58395420220798
Energy: 1.533538423788255

minimum gb energy = 1.1678251852323085 eV
minimum distance =  2.27911322260785 Angstroms
sigma value = 1


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

Energy: 2.470712665916513
Energy: 1.2754886950953006
Energy: 1.378573976045913
Energy: 1.4602297742125252
Energy: 1.3093834913557676
Energy: 1.262154164694601
Energy: 1.2869239515065434
Energy: 1.262154164694601
Energy: 1.2976061738988727
Energy: 1.2532984123572404
Energy: 1.2983243363353576
Energy: 1.2532984123555495
Energy: 1.1963731170068264
Energy: 1.2510291398334956
Energy: 1.2218176289459861
Energy: 1.2510291398318045
Energy: 1.1958188152546119
Energy: 1.2500471090311267
Energy: 1.301324876819521
Energy: 1.2500471090311267
Energy: 1.2156803805980458
Energy: 1.2390621206668526
Energy: 1.3314190924655278
Energy: 1.2390621206685437
Energy: 1.215053085677677
Energy: 1.2386900367510592
Energy: 1.3873420931278886
Energy: 1.2386900367510592
Energy: 1.2421430647255685
Energy: 1.1630990202161406
Energy: 1.3849220722165176
Energy: 1.1630990202144496
Energy: 1.3537687119629047
Energy: 1.1819606974637313
Energy: 1.3478086258001831
Energy: 1.1819606974637313
Energy: 1.3777118308514
Energy: 1.5289014073566602
Energy: 1.5508275983598687
Energy: 1.5289014073566602
Energy: 1.135295043455261
Energy: 1.1133745398722152
Energy: 1.3073059224643442
Energy: 1.1133745398722152
Energy: 1.1349168398160578
Energy: 1.1133670883035038
Energy: 1.4723161255181796
Energy: 1.1133670883035038
Energy: 1.1324614932579689
Energy: 1.1140042539381432
Energy: 1.4779696996197669
Energy: 1.1140042539381432
Energy: 1.1335892413414759
Energy: 1.1164904743311377
Energy: 1.3083324914717356
Energy: 1.1164904743311377
Energy: 1.2221790934167829
Energy: 1.3224356595117566
Energy: 1.2764118309164283
Energy: 1.3224356595117566
Energy: 1.222590187009761
Energy: 1.3216692010018367
Energy: 1.2776536664339375
Energy: 1.3216692010018367
Energy: 1.3318743781402806
Energy: 1.2738814080889374
Energy: 1.1806594084611073
Energy: 1.2738814080906284
Energy: 1.314880487444055
Energy: 1.2551404419731438
Energy: 1.2143155845756228
Energy: 1.2551404419731438
Energy: 1.3826078101608998
Energy: 1.2596734465040054
Energy: 1.214211463658491
Energy: 1.2596734465040054
Energy: 1.441312445730492
Energy: 1.2543757490366982
Energy: 1.2467621426658795
Energy: 1.2543757490366982
Energy: 1.466774129338228
Energy: 1.2856740883979392
Energy: 1.3777715695199348
Energy: 1.2856740883979392
Energy: 1.4782258785871512
Energy: 1.468513374904033
Energy: 1.3779809392572444
Energy: 1.468513374904033
Energy: 1.2987396172384609
Energy: 1.1337524376344954
Energy: 1.3043147517557716
Energy: 1.1337524376344954
Energy: 1.5021968284204184
Energy: 1.3509073806658336
Energy: 1.3062216035457346
Energy: 1.3509073806658336

minimum gb energy = 1.1133670883035038 eV
minimum distance =  2.26160606243189 Angstroms
sigma value = 17


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

Energy: 1.579766889932694
Energy: 1.5241888928165326
Energy: 1.762820451703677
Energy: 1.6322514976598133
Energy: 1.2502700059495941
Energy: 1.2867155769640546
Energy: 1.3380385727545454
Energy: 1.2867155769640546
Energy: 1.1638060978151712
Energy: 1.1819261276831063
Energy: 1.4083698124991626
Energy: 1.181926127682061
Energy: 1.1633547372700292
Energy: 1.1810569728466345
Energy: 1.4094071473591394
Energy: 1.1810569728466345
Energy: 1.164252317984941
Energy: 1.1820450472795487
Energy: 1.3373461021632609
Energy: 1.1820450472774584
Energy: 1.1850740912323425
Energy: 1.248178561176109
Energy: 1.2198285332991843
Energy: 1.248178561176109
Energy: 1.1850672576573196
Energy: 1.2497819628916325
Energy: 1.183414208243215
Energy: 1.2497819628916325
Energy: 1.3015106226324549
Energy: 1.262958118938023
Energy: 1.183013851676212
Energy: 1.2629581189390682
Energy: 1.339010364236604
Energy: 1.1816311463901106
Energy: 1.1626759726215972
Energy: 1.1816311463890654
Energy: 1.3542266781552084
Energy: 1.1625420320005706
Energy: 1.1652700547622126
Energy: 1.1625420320016158
Energy: 1.3637170548518434
Energy: 1.1820719443660197
Energy: 1.1627610990416837
Energy: 1.1820719443639294
Energy: 1.4662119008405619
Energy: 1.3073314875419453
Energy: 1.486265405442784
Energy: 1.3073314875419453
Energy: 1.4855796907152028
Energy: 1.4673870839554168
Energy: 1.4830427622260487
Energy: 1.4673870839543715
Energy: 1.3572417106998103
Energy: 1.189599893493718
Energy: 1.1643591155112956
Energy: 1.189599893493718
Energy: 1.4046320088770454
Energy: 1.250394428769424
Energy: 1.2816911686028325
Energy: 1.250394428768379
Energy: 1.4570421853306452
Energy: 1.1860261465859652
Energy: 1.185710931007409
Energy: 1.1860261465859652
Energy: 1.2924975431531651
Energy: 1.2408761460947473
Energy: 1.2446541567064975
Energy: 1.2408761460937021
Energy: 1.1534566105313309
Energy: 1.241838087300174
Energy: 1.2583524559834263
Energy: 1.2418380873022643
Energy: 1.15449951216123
Energy: 1.237903084089416
Energy: 1.245650903273688
Energy: 1.2379030840883707
Energy: 1.2132959721932488
Energy: 1.2811005596208274
Energy: 1.3269359563367713
Energy: 1.2811005596197822
Energy: 1.1598073074727588
Energy: 1.2098292524161445
Energy: 1.321348860257547
Energy: 1.2098292524171896
Energy: 1.152448427627167
Energy: 1.2086903237673436
Energy: 1.3584283644282422
Energy: 1.2086903237662983
Energy: 1.2822919394360812
Energy: 1.3135588050075904
Energy: 1.2475979713497738
Energy: 1.3135588050096807
Energy: 1.4294015936885434
Energy: 1.424337719133783
Energy: 1.4258595002240955
Energy: 1.4243377191358733
Energy: 1.4884365261827623
Energy: 1.2356459362280967
Energy: 1.329164574758511
Energy: 1.2356459362270515
Energy: 1.2818905928668158
Energy: 1.237248054201864
Energy: 1.2355271963483379
Energy: 1.2372480542039541
Energy: 1.4800067628296556
Energy: 1.4560410499346939
Energy: 1.4556156752699607
Energy: 1.4560410499326037
Energy: 1.2372943729200685
Energy: 1.235930296604354
Energy: 1.3077850928244603
Energy: 1.2359302966033088
Energy: 1.3375835932577318
Energy: 1.209172869225426
Energy: 1.1920225600339684
Energy: 1.209172869225426
Energy: 1.3027760433335513
Energy: 1.2081290031874472
Energy: 1.1522026779650942
Energy: 1.2081290031874472
Energy: 1.3007732786464208
Energy: 1.2090768938742877
Energy: 1.1523841213743324
Energy: 1.209076893875333
Energy: 1.2754214185527997
Energy: 1.2393153174789713
Energy: 1.154819073416596
Energy: 1.2393153174789713
Energy: 1.2575548971997392
Energy: 1.2388944122874306
Energy: 1.1566399904647453
Energy: 1.2388944122863854
Energy: 1.2618566818061534
Energy: 1.238618476200704
Energy: 1.2535907607228505
Energy: 1.2386184762017491
Energy: 1.1889992138826802
Energy: 1.1881238619854047
Energy: 1.3289003125516954
Energy: 1.1881238619854047
Energy: 1.2516442651918223
Energy: 1.281890459636159
Energy: 1.4317796839060937
Energy: 1.281890459637204
Energy: 1.2148928073059586
Energy: 1.1880088560548867
Energy: 1.3582556915922575
Energy: 1.1880088560559319
Energy: 1.410978792929819
Energy: 1.3081053175310273
Energy: 1.4278885222516862
Energy: 1.308105317528937

minimum gb energy = 1.1522026779650942 eV
minimum distance =  2.27827483808799 Angstroms
sigma value = 89


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

Energy: 2.3418875984404313
Energy: 1.1307487181643148
Energy: 1.4078522541706575
Energy: 1.4078405591027143
Energy: 1.2635179466702557
Energy: 1.1641930183157205
Energy: 1.200600479671243
Energy: 1.1641930183157205
Energy: 1.1041684325270649
Energy: 1.1557284132723047
Energy: 1.1830032761564577
Energy: 1.1557284132731436
Energy: 1.1005652015973053
Energy: 1.155768426810893
Energy: 1.1810361710331803
Energy: 1.155768426810893
Energy: 1.1034495658447772
Energy: 1.1544004784940638
Energy: 1.2390732588051447
Energy: 1.1544004784940638
Energy: 1.1328949517997626
Energy: 1.1783846893116663
Energy: 1.150633133306874
Energy: 1.1783846893116663
Energy: 1.1341361807443178
Energy: 1.1773691732615046
Energy: 1.1330912715051378
Energy: 1.1773691732620641
Energy: 1.1508893780867862
Energy: 1.1757937712707884
Energy: 1.1274277695399053
Energy: 1.1757937712707884
Energy: 1.239298358341834
Energy: 1.1568612465732206
Energy: 1.1013171712404755
Energy: 1.15686124657378
Energy: 1.2346546949754589
Energy: 1.1550323275121246
Energy: 1.1021421217357341
Energy: 1.1550323275118448
Energy: 1.2353526320284374
Energy: 1.1552211275946949
Energy: 1.2143069186010491
Energy: 1.1552211275941355
Energy: 1.2000395236925196
Energy: 1.200714069258178
Energy: 1.3197136861736805
Energy: 1.200714069258178
Energy: 1.41726884739128
Energy: 1.406892348633247
Energy: 1.31955934978351
Energy: 1.406892348633527
Energy: 1.2340273256058112
Energy: 1.2392468425784393
Energy: 1.2135738986543383
Energy: 1.2392468425779108
Energy: 1.263676228951022
Energy: 1.1610794981372197
Energy: 1.2146417609075646
Energy: 1.1610794981372197

minimum gb energy = 1.1005652015973053 eV
minimum distance =  2.27594176450975 Angstroms
sigma value = 13


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

Energy: 1.274910772969173
Energy: 1.122505373421133
Energy: 1.4614822745440732
Energy: 1.4016594951997325
Energy: 1.2749763367348579
Energy: 1.1351025898139555
Energy: 1.2007601306968059
Energy: 1.135102589815102
Energy: 1.095788339661808
Energy: 1.1334048877958285
Energy: 1.2243935043811476
Energy: 1.1334048877958285
Energy: 1.0954116441924149
Energy: 1.1330433432785303
Energy: 1.224368516788152
Energy: 1.1330433432796765
Energy: 1.14692122929709
Energy: 1.1943501478722438
Energy: 1.228291468204192
Energy: 1.1943501478722438
Energy: 1.1694785465446669
Energy: 1.1361092161440014
Energy: 1.0902691904349093
Energy: 1.1361092161440014
Energy: 1.1693205351315383
Energy: 1.13550521881232
Energy: 1.0916392589858035
Energy: 1.1355052188134664
Energy: 1.1788036771578188
Energy: 1.170737549232551
Energy: 1.0892345384745432
Energy: 1.170737549233697
Energy: 1.1512443668690022
Energy: 1.137778753755422
Energy: 1.0953325468218387
Energy: 1.137778753755422
Energy: 1.169515060644074
Energy: 1.1394388125865544
Energy: 1.0896770030570002
Energy: 1.1394388125865544
Energy: 1.1685900338103883
Energy: 1.1660731911954876
Energy: 1.1275662787632974
Energy: 1.1660731911966338
Energy: 1.0962363288131982
Energy: 1.132328784024638
Energy: 1.228093227316368
Energy: 1.132328784025784
Energy: 1.0976628178919505
Energy: 1.1322734915223005
Energy: 1.2618611728037923
Energy: 1.1322734915211543
Energy: 1.206188794094426
Energy: 1.1385922430069568
Energy: 1.2625703176375738
Energy: 1.138592243008103
Energy: 1.2558525394344795
Energy: 1.140728702637092
Energy: 1.3988359102697423
Energy: 1.1407287026382382
Energy: 1.2554297695928385
Energy: 1.1339549826220015
Energy: 1.0961694617034181
Energy: 1.1339549826220015
Energy: 1.205942025691871
Energy: 1.1365443334161043
Energy: 1.2535007832948935
Energy: 1.136544333414958
Energy: 1.0981552296549664
Energy: 1.138914736323222
Energy: 1.2205970537283102
Energy: 1.138914736323222
Energy: 1.2018487834489158
Energy: 1.13379029287051
Energy: 1.275171336885825
Energy: 1.13379029287051
Energy: 1.259544680873502
Energy: 1.1350942656394132
Energy: 1.0959876868160912
Energy: 1.1350942656394132
Energy: 1.27794570815044
Energy: 1.1345506162250258
Energy: 1.0951499476215376
Energy: 1.1345506162250258
Energy: 1.2282819877419981
Energy: 1.1351768008784064
Energy: 1.0974423086378349
Energy: 1.1351768008784064
Energy: 1.1278430359272167
Energy: 1.1368409485968727
Energy: 1.1740879616474422
Energy: 1.1368409485968727
Energy: 1.09219527076258
Energy: 1.1362114441246134
Energy: 1.1085392060369008
Energy: 1.1362114441257594
Energy: 1.0895007650629078
Energy: 1.1394422729885574
Energy: 1.1824682432360767
Energy: 1.1394422729874112
Energy: 1.091193560933612
Energy: 1.1392303135580715
Energy: 1.1797535740586231
Energy: 1.1392303135580715
Energy: 1.0935596763909499
Energy: 1.1380505658845854
Energy: 1.1704050508986694
Energy: 1.1380505658857316
Energy: 1.1309914954197793
Energy: 1.1378374201376444
Energy: 1.1706967580095617
Energy: 1.1378374201376444
Energy: 1.2282718908014307
Energy: 1.1334834738369854
Energy: 1.096071401356427
Energy: 1.1334834738369854
Energy: 1.1656772744563475
Energy: 1.136174151886173
Energy: 1.0972133869409653
Energy: 1.136174151886173
Energy: 1.2593427006709266
Energy: 1.1366378396504164
Energy: 1.2060631106921789
Energy: 1.1366378396492702
Energy: 1.0974450314368553
Energy: 1.1338351773448676
Energy: 1.2557965502433033
Energy: 1.1338351773437214
Energy: 1.4083860083030229
Energy: 1.1993921603412385
Energy: 1.25604935224825
Energy: 1.1993921603423847
Energy: 1.2059728923472144
Energy: 1.1347635874004596
Energy: 1.2060842353929266
Energy: 1.1347635874004596
Energy: 1.2772411077745047
Energy: 1.1409330912757745
Energy: 1.0978597645853974
Energy: 1.1409330912757745

minimum gb energy = 1.0892345384745432 eV
minimum distance =  2.28930928785845 Angstroms
sigma value = 37


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

Energy: 1.2615461562172567
Energy: 1.0817826836131272
Energy: 1.3863716875281822
Energy: 1.342071473960845
Energy: 1.222735676863323
Energy: 1.0868367157985463
Energy: 1.1544347053852329
Energy: 1.0868367157987255
Energy: 1.0616347084018012
Energy: 1.0887967275768409
Energy: 1.1576121784504179
Energy: 1.0887967275768409
Energy: 1.0626302015148041
Energy: 1.0882291578811214
Energy: 1.186115914207549
Energy: 1.0882291578809198
Energy: 1.1115205334780864
Energy: 1.1539836238755992
Energy: 1.175796154612886
Energy: 1.1539836238753975
Energy: 1.1370722090462304
Energy: 1.0731612019368666
Energy: 1.0369737364555873
Energy: 1.0731612019368666
Energy: 1.0790410864918776
Energy: 1.072263275196075
Energy: 1.037628941252454
Energy: 1.0722632751956716
Energy: 1.1044189757045595
Energy: 1.128503714441205
Energy: 1.0639768013712245
Energy: 1.1285037144410257
Energy: 1.06433595496094
Energy: 1.0596803529210812
Energy: 1.0616398566310596
Energy: 1.0596803529212604
Energy: 1.0618462387680478
Energy: 1.0593996782281707
Energy: 1.0626966534361233
Energy: 1.0593996782287536
Energy: 1.0617845963845196
Energy: 1.0918483830844055
Energy: 1.1059898425253216
Energy: 1.0918483830844055
Energy: 1.0375596385309236
Energy: 1.0732275209002673
Energy: 1.137486181278218
Energy: 1.0732275209002673
Energy: 1.0363418580678954
Energy: 1.0729862991305221
Energy: 1.1375298452826226
Energy: 1.0729862991303205
Energy: 1.0835198249399214
Energy: 1.1143584491856902
Energy: 1.1419010369992653
Energy: 1.1143584491854885
Energy: 1.129454186752492
Energy: 1.0874934762139417
Energy: 1.0624986296618242
Energy: 1.0874934762137625
Energy: 1.16407633730983
Energy: 1.0883297990829337
Energy: 1.0611132815466469
Energy: 1.0883297990829337
Energy: 1.219851924717153
Energy: 1.1509375394933465
Energy: 1.0618215114718388
Energy: 1.1509375394927641
Energy: 1.3433374995552256
Energy: 1.3431147628024713
Energy: 1.2085113799203735
Energy: 1.3431147628024713
Energy: 1.0612029213397034
Energy: 1.0887660460910102
Energy: 1.1130077892737313
Energy: 1.0887660460906292
Energy: 1.21110279010271
Energy: 1.0869176659002702
Energy: 1.0633649638717388
Energy: 1.0869176659004718

minimum gb energy = 1.0363418580678954 eV
minimum distance =  2.28715912179853 Angstroms
sigma value = 25


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

Energy: 1.237802194379624
Energy: 1.0155415176738214
Energy: 1.2611300720063738
Energy: 1.2587269556773595
Energy: 0.99587412357043
Energy: 1.100481001300641
Energy: 1.0065027610545403
Energy: 1.100481001300641
Energy: 1.006370867686398
Energy: 1.0217755637807522
Energy: 1.1238803006530638
Energy: 1.021775563779212
Energy: 1.009630906743266
Energy: 1.0188514201581425
Energy: 1.0576138758526488
Energy: 1.0188514201566023
Energy: 1.061685620739379
Energy: 1.0922557874721568
Energy: 1.044103016567525
Energy: 1.0922557874706171
Energy: 1.0599103111644623
Energy: 1.001441548007512
Energy: 0.9963073532407789
Energy: 1.001441548007512
Energy: 1.059706471192968
Energy: 1.0000734256076913
Energy: 0.9971779073372382
Energy: 1.0000734256076913
Energy: 1.0607843336586325
Energy: 1.0003100362467212
Energy: 1.01309356137839
Energy: 1.0003100362467212
Energy: 0.9925205702999306
Energy: 0.9718065057191198
Energy: 1.0392473689685984
Energy: 0.9718065057191198
Energy: 0.9930397678515284
Energy: 0.9724859045834193
Energy: 1.0297622793527816
Energy: 0.9724859045849593
Energy: 0.9776230721109924
Energy: 1.0078848371990674
Energy: 1.029585003697481
Energy: 1.0078848372006073
Energy: 1.0035413293705588
Energy: 0.9611893720119032
Energy: 1.0042569981941523
Energy: 0.9611893720119032
Energy: 1.0110486124415914
Energy: 0.9614668981562631
Energy: 1.0039302365888334
Energy: 0.9614668981562631
Energy: 1.0289896104866167
Energy: 0.9722953813989341
Energy: 0.977293833873487
Energy: 0.9722953813989341
Energy: 1.039068642403721
Energy: 0.9711790063393347
Energy: 0.9927595053981682
Energy: 0.9711790063408746
Energy: 1.0393427173455119
Energy: 0.9733033209785584
Energy: 1.018372748540448
Energy: 0.9733033209785584
Energy: 1.0134268681652239
Energy: 1.000699564670562
Energy: 1.0606820981669562
Energy: 1.000699564670562
Energy: 1.003362789054982
Energy: 1.0004653398417191
Energy: 1.036509478258293
Energy: 1.0004653398417191
Energy: 0.99680045538411
Energy: 1.004045590301497
Energy: 1.111243084682726
Energy: 1.004045590301497
Energy: 1.0447380603802818
Energy: 1.1007400202722797
Energy: 1.006943168987655
Energy: 1.1007400202722797
Energy: 1.189532718445857
Energy: 1.0200386897842941
Energy: 1.0088894655524907
Energy: 1.0200386897842941
Energy: 1.0443165057181352
Energy: 1.018428424409615
Energy: 1.0068562340911804
Energy: 1.018428424409615
Energy: 1.0442789952455445
Energy: 1.0557843692898763
Energy: 1.0399359350378967
Energy: 1.0557843692883366
Energy: 1.0066635528334136
Energy: 1.0229824842449733
Energy: 1.1047394349035076
Energy: 1.0229824842449733
Energy: 1.0061029932039003
Energy: 1.0232531617392446
Energy: 1.0072936038351803
Energy: 1.0232531617392446
Energy: 1.1208983417878582
Energy: 1.0198766832736894
Energy: 1.0063165613400926
Energy: 1.0198766832736894

minimum gb energy = 0.9611893720119032 eV
minimum distance =  2.296818232754 Angstroms
sigma value = 41


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

Energy: 1.1968037322062532
Energy: 0.9534002139180009
Energy: 1.1568100276468498
Energy: 1.154534238635997
Energy: 0.9414876624367902
Energy: 1.0396272161622249
Energy: 1.0406636230386863
Energy: 1.0396272161622249
Energy: 0.9484671073501815
Energy: 0.9590667798084878
Energy: 1.0712715785853724
Energy: 0.9590667798084878
Energy: 0.9505833859007048
Energy: 0.9556505654543489
Energy: 1.0292545215234703
Energy: 0.9556505654543489
Energy: 1.0075967485139308
Energy: 1.010098135599276
Energy: 0.9831565002875341
Energy: 1.0100981355980136
Energy: 1.030790922901619
Energy: 0.940881823263449
Energy: 0.9456668287491531
Energy: 0.9408818232621867
Energy: 1.0308622976737718
Energy: 0.9388900054215473
Energy: 0.9481780737129786
Energy: 0.9388900054215473
Energy: 1.0032555256704343
Energy: 0.9689424940392073
Energy: 0.9816052129807051
Energy: 0.9689424940392073
Energy: 0.9476363886150889
Energy: 0.9093922290746281
Energy: 0.983341334060401
Energy: 0.9093922290746281
Energy: 0.9515890788990966
Energy: 0.9096923022115201
Energy: 0.9835285138247984
Energy: 0.9096923022115201
Energy: 0.9400990217782399
Energy: 0.8909101463985133
Energy: 0.9783618754952381
Energy: 0.8909101463972509
Energy: 0.9726395455051374
Energy: 0.8892177120901056
Energy: 0.94865396088039
Energy: 0.8892177120901056
Energy: 0.9664193883077526
Energy: 0.888709442556867
Energy: 0.9504771474237933
Energy: 0.888709442556867
Energy: 0.9649812984626526
Energy: 0.8829102962908724
Energy: 0.9209867934092224
Energy: 0.8829102962908724
Energy: 0.9523186435394547
Energy: 0.8817671915964743
Energy: 0.951856469405524
Energy: 0.8817671915977368
Energy: 0.9581837114277428
Energy: 0.882082291433514
Energy: 0.9587530859770541
Energy: 0.882082291433514
Energy: 0.9190634174731755
Energy: 0.8897352576160368
Energy: 0.9644037191578918
Energy: 0.8897352576172992
Energy: 0.9450467764819563
Energy: 0.8892721494213847
Energy: 0.9721559013555703
Energy: 0.8892721494213847
Energy: 0.9581690457383142
Energy: 0.8890703511609338
Energy: 0.9732722731929428
Energy: 0.8890703511596716
Energy: 0.9776204206537035
Energy: 0.909575708443746
Energy: 0.9357530274082095
Energy: 0.9095757084450086
Energy: 1.0090910845610443
Energy: 0.9096351321032011
Energy: 0.9510974219315147
Energy: 0.9096351321032011
Energy: 1.009905373126706
Energy: 0.9104467753875951
Energy: 0.9713358581616798
Energy: 0.9104467753875951
Energy: 0.9483621690692896
Energy: 0.9410791175157818
Energy: 1.0034356619272586
Energy: 0.9410791175170442
Energy: 0.9461914433106955
Energy: 0.9396175043660084
Energy: 1.0075885618653684
Energy: 0.939617504367271
Energy: 0.9838163980146637
Energy: 0.9408889388401496
Energy: 1.0304027833271965
Energy: 0.9408889388401496
Energy: 1.0508105131974141
Energy: 0.957063050012963
Energy: 0.9510994594467902
Energy: 0.957063050012963
Energy: 1.0721307594361775
Energy: 0.9557557652735373
Energy: 0.9491085522828793
Energy: 0.9557557652735373
Energy: 0.9836183446236613
Energy: 1.0405630043644545
Energy: 0.9489191123600743
Energy: 1.0405630043644545
Energy: 0.9518875558557319
Energy: 0.9558826311116948
Energy: 1.0705017130364824
Energy: 0.9558826311116948
Energy: 0.9485211478746661
Energy: 0.9567643065549886
Energy: 1.0278205360209292
Energy: 0.9567643065549886
Energy: 0.948910810007402
Energy: 0.9614373232537687
Energy: 0.9489333827318277
Energy: 0.961437323257556
Energy: 1.1119046461442081
Energy: 0.9584188541603963
Energy: 0.9528184392605302
Energy: 0.9584188541603963

minimum gb energy = 0.8817671915964743 eV
minimum distance =  2.30246532260832 Angstroms
sigma value = 15


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

Energy: 1.0768115966346106
Energy: 0.8987613582067205
Energy: 1.0722083223795698
Energy: 1.070093529917335
Energy: 0.8895661387287677
Energy: 0.9351524957117361
Energy: 0.9271924281485628
Energy: 0.9351524957106666
Energy: 0.8951306998911338
Energy: 0.9038469368178835
Energy: 0.958841401963214
Energy: 0.9038469368168139
Energy: 0.8971811698147557
Energy: 0.9008140525451364
Energy: 0.9958367806049396
Energy: 0.9008140525462058
Energy: 0.9493128019334642
Energy: 0.9835684252770643
Energy: 0.9268813807760891
Energy: 0.9835684252802728
Energy: 0.9668347043306891
Energy: 0.889020990173742
Energy: 0.8951345434940126
Energy: 0.8890209901748116
Energy: 0.9533681295775808
Energy: 0.8865579641285739
Energy: 0.8964068907923256
Energy: 0.8865579641285739
Energy: 0.9458417658783644
Energy: 0.9482424371410042
Energy: 0.9511425320904339
Energy: 0.9482424371410042
Energy: 0.9011601292542101
Energy: 0.8585629246677312
Energy: 0.9542449977544533
Energy: 0.8585629246655923
Energy: 0.8999242820740873
Energy: 0.858933871009673
Energy: 0.9543916176801162
Energy: 0.858933871009673
Energy: 0.9126244117831527
Energy: 0.8374648494608257
Energy: 0.9252277515122208
Energy: 0.8374648494597562
Energy: 0.8600713668760319
Energy: 0.8355788248705796
Energy: 0.9013508513815592
Energy: 0.8355788248695102
Energy: 0.915941223362935
Energy: 0.8351663223336713
Energy: 0.9008844071739958
Energy: 0.8351663223336713
Energy: 0.91759708931109
Energy: 0.8227027407480069
Energy: 0.8895315216244523
Energy: 0.8227027407458678
Energy: 0.9021037412029153
Energy: 0.8235697176480096
Energy: 0.9203242689317428
Energy: 0.8235697176480096
Energy: 0.902985324356119
Energy: 0.8216757220284117
Energy: 0.9114196337634443
Energy: 0.8216757220294811
Energy: 0.8772642379668228
Energy: 0.8179838465844682
Energy: 0.9144673004423223
Energy: 0.8179838465844682
Energy: 0.9065258893482389
Energy: 0.8176842447818452
Energy: 0.9065976174925487
Energy: 0.8176842447807758
Energy: 0.9154863623834536
Energy: 0.8177785640554318
Energy: 0.9096091418740828
Energy: 0.8177785640543624
Energy: 0.9115504955848552
Energy: 0.821851969711157
Energy: 0.8763600398958847
Energy: 0.8218519697122265
Energy: 0.9201113619504309
Energy: 0.8238134167927891
Energy: 0.902062321554413
Energy: 0.8238134167917197
Energy: 0.8586294666144922
Energy: 0.8222775452185412
Energy: 0.9168451704906275
Energy: 0.8222775452164024
Energy: 0.8847963287744595
Energy: 0.8351985989554553
Energy: 0.9162314722943652
Energy: 0.8351985989554553
Energy: 0.9018093769877723
Energy: 0.8354636762275854
Energy: 0.9425159470615295
Energy: 0.8354636762297244
Energy: 0.92504037676043
Energy: 0.8380859604881521
Energy: 0.91410005899636
Energy: 0.8380859604870826
Energy: 0.9254941103295028
Energy: 0.8594640632842008
Energy: 0.8999350804953035
Energy: 0.8594640632842008
Energy: 0.907779366164955
Energy: 0.8584285263166729
Energy: 0.9006129836413089
Energy: 0.8584285263177425
Energy: 0.9799253131890773
Energy: 0.8593857407710211
Energy: 0.9456962351912952
Energy: 0.8593857407731601
Energy: 0.8957447407615241
Energy: 0.8866548538975032
Energy: 0.9759294643310419
Energy: 0.8866548538975032
Energy: 0.8950419093395462
Energy: 0.8876949348388247
Energy: 0.9759333871724221
Energy: 0.8876949348398944
Energy: 0.9270691716700159
Energy: 0.9871948344953203
Energy: 0.9836070303916004
Energy: 0.9871948344963897
Energy: 0.9750633064726942
Energy: 0.9006989060048254
Energy: 0.8968146856371394
Energy: 0.9006989060058949
Energy: 0.9816969219504209
Energy: 0.9032479878385684
Energy: 0.8957779684067664
Energy: 0.9032479878385684
Energy: 0.9274472342502472
Energy: 0.9340576373753784
Energy: 0.8945693988604696
Energy: 0.9340576373743088
Energy: 1.0727082938258516
Energy: 1.0535163235062168
Energy: 1.0284807748633928
Energy: 1.0535163235072866
Energy: 0.8953213333834852
Energy: 0.90412669640144
Energy: 0.9261247813093162
Energy: 0.9041266964003706
Energy: 1.0117454331355622
Energy: 0.9044920546374247
Energy: 0.8956663255874574
Energy: 0.9044920546363553

minimum gb energy = 0.8176842447807758 eV
minimum distance =  2.30668186355443 Angstroms
sigma value = 85


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

Energy: 0.9585313006013975
Energy: 0.7790375903292455
Energy: 0.9548242869814814
Energy: 0.9302304149925225
Energy: 0.7821638370057048
Energy: 0.8279530950678472
Energy: 0.8242347764138979
Energy: 0.8279530950678472
Energy: 0.7942999713622199
Energy: 0.7980671416443389
Energy: 0.8588026086292684
Energy: 0.7980671416443389
Energy: 0.7960355185711161
Energy: 0.797002075053756
Energy: 0.8659226232544467
Energy: 0.797002075053756
Energy: 0.8828698173177929
Energy: 0.8826064583801094
Energy: 0.8237820058050059
Energy: 0.8826064583801094
Energy: 0.850208319767086
Energy: 0.7918813129046426
Energy: 0.8006409182688815
Energy: 0.7918813129046426
Energy: 0.869073293886009
Energy: 0.7899930968640562
Energy: 0.8021615593049559
Energy: 0.7899930968640562
Energy: 0.8436075562686867
Energy: 0.8969101801932126
Energy: 0.8257925745526655
Energy: 0.896910180192285
Energy: 0.8116226275463032
Energy: 0.7722533394528887
Energy: 0.8763812295501203
Energy: 0.7722533394528887
Energy: 0.8118864853871817
Energy: 0.7729543207727673
Energy: 0.8548635892539072
Energy: 0.7729543207727673
Energy: 0.8427274604416939
Energy: 0.7587004156799079
Energy: 0.8325610534317105
Energy: 0.7587004156799079
Energy: 0.8630492063251025
Energy: 0.7576377343978219
Energy: 0.8206955919698021
Energy: 0.7576377343978219
Energy: 0.8324170622179952
Energy: 0.7583162488941672
Energy: 0.7993893602513696
Energy: 0.7583162488941672
Energy: 0.8324936745061466
Energy: 0.7504013477690936
Energy: 0.8273087487711508
Energy: 0.7504013477700211
Energy: 0.8317103716617932
Energy: 0.7502034643450454
Energy: 0.8536575443036026
Energy: 0.7502034643459727
Energy: 0.7849661883995578
Energy: 0.751006753056403
Energy: 0.8363295599179565
Energy: 0.751006753056403
Energy: 0.8181672993334989
Energy: 0.7475605028342753
Energy: 0.8370163288313964
Energy: 0.7475605028342753
Energy: 0.8521938055453271
Energy: 0.74632789283863
Energy: 0.8412697485276633
Energy: 0.7463278928395576
Energy: 0.8386023898219302
Energy: 0.7473313343504995
Energy: 0.7796935504151473
Energy: 0.747331334351427
Energy: 0.839056005174828
Energy: 0.7457164013090799
Energy: 0.8128084182498394
Energy: 0.7457164013090799
Energy: 0.8446294733923995
Energy: 0.7460468777433998
Energy: 0.8444121821437709
Energy: 0.7460468777443274
Energy: 0.7795640210237572
Energy: 0.746382319295866
Energy: 0.8399964659375602
Energy: 0.746382319295866
Energy: 0.810976945007471
Energy: 0.7466801151337072
Energy: 0.8386849527452919
Energy: 0.7466801151337072
Energy: 0.8401056065117173
Energy: 0.745957084403959
Energy: 0.8518070961136379
Energy: 0.7459570844048865
Energy: 0.8375625043904297
Energy: 0.745830962753393
Energy: 0.7841815869143867
Energy: 0.745830962753393
Energy: 0.8364443330925151
Energy: 0.7508656310986437
Energy: 0.8319978297228878
Energy: 0.7508656310995714
Energy: 0.8614042393917003
Energy: 0.750116703310169
Energy: 0.8320904287467262
Energy: 0.7501167033110967
Energy: 0.7947106992316011
Energy: 0.8064560904365597
Energy: 0.832352589501575
Energy: 0.8064560904374873
Energy: 0.8210991823656851
Energy: 0.7580626748099295
Energy: 0.874567733940268
Energy: 0.7580626748108569
Energy: 0.8205340329953338
Energy: 0.7592095012244271
Energy: 0.8742742105190184
Energy: 0.7592095012244271
Energy: 0.8325427481623603
Energy: 0.7967818280335679
Energy: 0.8081660191771226
Energy: 0.7967818280326403
Energy: 0.8341937391261163
Energy: 0.7710446643378589
Energy: 0.812282044302619
Energy: 0.7710446643378589
Energy: 0.8964467517080027
Energy: 0.7722071646313208
Energy: 0.8115605992837428
Energy: 0.7722071646313208
Energy: 0.8322527074675433
Energy: 0.8497451795186489
Energy: 0.8434805205866772
Energy: 0.8497451795186489
Energy: 0.8029188712338523
Energy: 0.7897011564844233
Energy: 0.8285903426727214
Energy: 0.7897011564835168
Energy: 0.8008015976952215
Energy: 0.7909636566882146
Energy: 0.8434036167865286
Energy: 0.7909636566882146
Energy: 0.8321670272788733
Energy: 0.8274248645749378
Energy: 0.8829621994638464
Energy: 0.8274248645749378
Energy: 0.8789771568061268
Energy: 0.7983985753855167
Energy: 0.7942536448142867
Energy: 0.7983985753855167
Energy: 0.8241566014497774
Energy: 0.7976452381632593
Energy: 0.7941735915759324
Energy: 0.7976452381632593
Energy: 0.8243694660994683
Energy: 0.789435442891507
Energy: 0.8758253875114471
Energy: 0.7894354428924345
Energy: 0.793818683345577
Energy: 0.7992847097744528
Energy: 0.803741330973419
Energy: 0.7992847097744528
Energy: 0.8384342547769251
Energy: 0.8265246762889193
Energy: 0.7940756123548812
Energy: 0.8265246762889193
Energy: 0.8589045031075468
Energy: 0.7984482622758274
Energy: 0.7942185679810477
Energy: 0.798448262276734

minimum gb energy = 0.7457164013090799 eV
minimum distance =  2.29492566439903 Angstroms
sigma value = 113


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

Energy: 0.015049953233417521
Energy: 0.015434600968133054
Energy: 1.111570795792419
Energy: 0.11217169161995895
Energy: 0.01581410828218001
Energy: 0.11214351498925235
Energy: 0.11959254202224294
Energy: 0.11214351498925235
Energy: 0.11989984395772678
Energy: 0.11209989620391494
Energy: 0.015553557873526781
Energy: 0.11209989620391494
Energy: 0.12111122927182934
Energy: 0.11297491053783644
Energy: 0.016898751634110892
Energy: 0.11297491053783644
Energy: 0.12114203484222892
Energy: 0.1121107750125969
Energy: 0.1202455006545077
Energy: 0.1121107750125969
Energy: 0.015494142586674042
Energy: 0.1121960330727999
Energy: 0.11964565074230975
Energy: 0.1121960330727999

minimum gb energy = 0.015049953233417521 eV
minimum distance =  2.44356227840827 Angstroms
sigma value = 1