Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.176897808909416
cohesive_energy=7.38391435376031
mass=55.845
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: 0.02137775084760502
Energy: 0.022472725051329606
Energy: 0.1495181060930832
Energy: 0.022472725051329606
Energy: 0.022472725051329606
Energy: 1.7320404883603138
Energy: 0.022472725051329606
Energy: 1.7320404883598441
Energy: 0.14951810609261335
Energy: 0.022472725051329606
Energy: 0.02137775084760502
Energy: 0.022472725051329606
Energy: 0.022472725051329606
Energy: 1.7320404883598441
Energy: 0.022472725051329606
Energy: 1.7320404883598441

minimum gb energy = 0.02137775084760502 eV
minimum distance =  2.87015772188174 Angstroms
sigma value = 1


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

Energy: 1.3144028725140042
Energy: 1.4691468192503832
Energy: 1.167225606547808
Energy: 1.4691468192509527
Energy: 1.2660981554238084
Energy: 1.3953543701219173
Energy: 1.2673661929294064
Energy: 1.3953543701219173
Energy: 1.1431971565171124
Energy: 1.4521403103990402
Energy: 1.2539387730625804
Energy: 1.4521403103984702
Energy: 1.238659596858487
Energy: 1.4821286696947087
Energy: 1.2579882375177482
Energy: 1.4821286696964182
Energy: 1.244073651835637
Energy: 1.472551731293291
Energy: 1.2442653922681732
Energy: 1.4725517312938605
Energy: 1.1871613935538172
Energy: 1.7154426869315598
Energy: 1.229430502688618
Energy: 1.71544268693099
Energy: 1.2696013633612135
Energy: 1.4492829073709828
Energy: 1.1876498126938269
Energy: 1.449282907370413
Energy: 1.0803532555592428
Energy: 1.4701046267365843
Energy: 1.2130488901569245
Energy: 1.470104626737154
Energy: 1.2587335586897868
Energy: 1.710363691319675
Energy: 1.2451293658158982
Energy: 1.7103636913179656
Energy: 1.2303762241554355
Energy: 1.452014007607094
Energy: 1.0580965004654879
Energy: 1.4520140076082335
Energy: 1.2537580393420962
Energy: 1.3928228648104513
Energy: 1.258833817185586
Energy: 1.3928228648087422
Energy: 1.1809387620351253
Energy: 1.4696498750808977
Energy: 1.2521310707627038
Energy: 1.4696498750803277
Energy: 1.2677825485437193
Energy: 1.4511628615442598
Energy: 1.2697577002018945
Energy: 1.4511628615448295
Energy: 1.265195826268508
Energy: 1.4574747036862716
Energy: 1.2490934250735402
Energy: 1.4574747036862716
Energy: 1.2536050805213905
Energy: 1.4759647668562526
Energy: 1.2569260183256667
Energy: 1.4759647668562526
Energy: 1.2433507942792628
Energy: 1.4717820420044259
Energy: 1.272736987443073
Energy: 1.4717820420038559
Energy: 1.254252133567429
Energy: 1.4517990599856543
Energy: 1.1558148758766846
Energy: 1.4517990599856543
Energy: 1.2665794398334411
Energy: 1.373796111990612
Energy: 1.2666686460137973
Energy: 1.373796111990612
Energy: 1.0756312359587579
Energy: 1.4738249419838763
Energy: 1.2572071785568297
Energy: 1.4738249419827367
Energy: 1.2727360511572787
Energy: 1.2614040618838924
Energy: 1.2603327683463337
Energy: 1.261404061882753
Energy: 1.2277740060490747
Energy: 1.4518961674985618
Energy: 1.1023477825182904
Energy: 1.4518961674985618
Energy: 1.2589369485477169
Energy: 1.6483293167881103
Energy: 1.2432521245011356
Energy: 1.648329316786401
Energy: 1.2423295514277393
Energy: 1.4726172744826815
Energy: 1.1632236183255207
Energy: 1.4726172744815418
Energy: 1.2389180672502935
Energy: 1.4558674311516144
Energy: 1.1865550810445133
Energy: 1.4558674311510444
Energy: 1.1873724012497608
Energy: 1.7169570803187528
Energy: 1.2703422316761024
Energy: 1.7169570803187528
Energy: 1.247499552587507
Energy: 1.4699522338012845
Energy: 1.1635055178072355
Energy: 1.4699522338012845
Energy: 1.2499906269384038
Energy: 1.7281118644264357
Energy: 1.2585593016977539
Energy: 1.7281118644258657
Energy: 1.1460545789137648
Energy: 1.4493828123563794
Energy: 1.25471024666975
Energy: 1.4493828123563794
Energy: 1.2655285606716227
Energy: 1.4653787174198127
Energy: 1.252110881284407
Energy: 1.465378717421522
Energy: 1.2768177925027298
Energy: 1.4702690741108682
Energy: 1.1795107675182301
Energy: 1.4702690741102984
Energy: 1.274462099461003
Energy: 1.4589262924067727
Energy: 1.2667789648220433
Energy: 1.4589262924056332
Energy: 1.2444892837926087
Energy: 1.4513198336243303
Energy: 1.2652298935979158
Energy: 1.4513198336243303
Energy: 1.2430947798706768
Energy: 1.483051665775455
Energy: 1.261152997294428
Energy: 1.483051665775455

minimum gb energy = 1.0580965004654879 eV
minimum distance =  2.60235298398667 Angstroms
sigma value = 1


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

Energy: 1.4091411367080071
Energy: 1.5876948478073194
Energy: 1.2365382307183592
Energy: 1.5876948478066697
Energy: 1.3390573951536147
Energy: 1.4966566129440173
Energy: 1.3393756221003974
Energy: 1.4966566129420684
Energy: 1.2250245331436085
Energy: 1.5947896500231709
Energy: 1.3452441522496936
Energy: 1.5947896500212222
Energy: 1.336450001282566
Energy: 1.4740102720494814
Energy: 1.2523590009035597
Energy: 1.4740102720514303
Energy: 1.336727156842531
Energy: 1.5558969377329588
Energy: 1.2783720405842471
Energy: 1.555896937732309
Energy: 1.3003554946588607
Energy: 1.5607746064400452
Energy: 1.3301488358938751
Energy: 1.5607746064400452
Energy: 1.3402981162260388
Energy: 1.352840514468691
Energy: 1.3000568295264316
Energy: 1.3528405144699902
Energy: 1.1268530353129358
Energy: 1.5948561569985853
Energy: 1.270980857576535
Energy: 1.5948561569998847
Energy: 1.3324428580314636
Energy: 1.3621639004931696
Energy: 1.3431160882691722
Energy: 1.3621639004931696
Energy: 1.334427551144704
Energy: 1.5949772890460074
Energy: 1.1981189078643395
Energy: 1.5949772890492557
Energy: 1.3404561546058504
Energy: 1.4697068075916901
Energy: 1.3572487931370978
Energy: 1.4697068075929893
Energy: 1.2353027988140142
Energy: 1.569311325043642
Energy: 1.3316864422928751
Energy: 1.5693113250455908
Energy: 1.35842070358591
Energy: 1.5553639385694877
Energy: 1.3156493369371876
Energy: 1.5553639385675386
Energy: 1.3572937847925084
Energy: 1.555230241027403
Energy: 1.3268475929378651
Energy: 1.5552302410248044
Energy: 1.2303069115610374
Energy: 1.5695436480367062
Energy: 1.3507307270527737
Energy: 1.5695436480386549
Energy: 1.340091143583314
Energy: 1.4694964707559606
Energy: 1.3481416646248239
Energy: 1.4694964707579095
Energy: 1.3341604403763985
Energy: 1.5949775794834333
Energy: 1.1492084245434033
Energy: 1.5949775794795356
Energy: 1.3327560801811331
Energy: 1.3625354801145921
Energy: 1.3440130249587718
Energy: 1.3625354801158913
Energy: 1.1267590399666063
Energy: 1.592719566633554
Energy: 1.271209330255113
Energy: 1.5927195666342036
Energy: 1.3410250406908668
Energy: 1.3521182057321643
Energy: 1.265010441528118
Energy: 1.3521182057360621
Energy: 1.3004011159576905
Energy: 1.5605273930174124
Energy: 1.3206678144514041
Energy: 1.5605273930187118
Energy: 1.33151866587463
Energy: 1.5575847440733774
Energy: 1.3263410589331088
Energy: 1.5575847440707786
Energy: 1.3308914130079195
Energy: 1.4745918187649398
Energy: 1.3483765720344307
Energy: 1.4745918187662392
Energy: 1.2253057306735577
Energy: 1.5943911871794982
Energy: 1.3554301540713647
Energy: 1.5943911871814473
Energy: 1.3395466668252227
Energy: 1.4967834214595026
Energy: 1.3387636912368568
Energy: 1.496783421460152
Energy: 1.4091411367073576
Energy: 1.5876948478073194
Energy: 1.225981262650782
Energy: 1.5876948478066697
Energy: 1.3390573951536147
Energy: 1.496656612944667
Energy: 1.3393756221003974
Energy: 1.4966566129427181
Energy: 1.225024533144908
Energy: 1.5947896500231709
Energy: 1.3309666434628864
Energy: 1.5947896500212222
Energy: 1.3364500012832157
Energy: 1.4740102720527297
Energy: 1.2523590009022603
Energy: 1.47401027205208

minimum gb energy = 1.1267590399666063 eV
minimum distance =  2.59919953733425 Angstroms
sigma value = 25


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

Energy: 1.5137690457103175
Energy: 1.688748964026371
Energy: 1.3091828373175625
Energy: 1.688748964027126
Energy: 1.4624767327179942
Energy: 1.5861542305158396
Energy: 1.4491362616748127
Energy: 1.586154230516595
Energy: 1.324229950445539
Energy: 1.74071019277859
Energy: 1.454842157104383
Energy: 1.7407101927793454
Energy: 1.4257442722933529
Energy: 1.622515559294968
Energy: 1.3604721734827112
Energy: 1.6225155592942127
Energy: 1.3618876091968493
Energy: 1.689674912532554
Energy: 1.4279776737537673
Energy: 1.689674912532554
Energy: 1.4242121495216613
Energy: 1.7335331650632158
Energy: 1.463028965345762
Energy: 1.7335331650624606
Energy: 1.4628813068900235
Energy: 1.4621591696265672
Energy: 1.4112103534369216
Energy: 1.4621591696265672
Energy: 1.3297219107711795
Energy: 1.6956333567232234
Energy: 1.2581112581399434
Energy: 1.6956333567239785
Energy: 1.4105293922515993
Energy: 1.5837045900783608
Energy: 1.4633928452760407
Energy: 1.5837045900783608
Energy: 1.4565069665679808
Energy: 1.7342383579869711
Energy: 1.336296299576421
Energy: 1.7342383579877265
Energy: 1.4293145103505618
Energy: 1.6890150657665692
Energy: 1.4501652485040277
Energy: 1.6890150657665692
Energy: 1.3669157347270209
Energy: 1.6894789718263943
Energy: 1.4573141034827977
Energy: 1.6894789718271495
Energy: 1.4547349347577911
Energy: 1.6209991706750821
Energy: 1.3349009991731233
Energy: 1.6209991706765925
Energy: 1.4096159297845643
Energy: 1.4521572551864055
Energy: 1.4649828937737936
Energy: 1.4521572551879158
Energy: 1.2541240720554627
Energy: 1.6888308065911881
Energy: 1.255047904802987
Energy: 1.6888308065911881
Energy: 1.461896553544021
Energy: 1.4612637208533044
Energy: 1.3620187704334659
Energy: 1.4612637208533044
Energy: 1.2111553429711603
Energy: 1.7399555733301004
Energy: 1.2112229289628145
Energy: 1.7399555733301004
Energy: 1.3631592369768215
Energy: 1.6144362936663545
Energy: 1.4266771377015386
Energy: 1.6144362936655994
Energy: 1.422719487107717
Energy: 1.6237155180011502
Energy: 1.36185285361819
Energy: 1.6237155176395437
Energy: 1.4612255553871165
Energy: 1.7334740854080783
Energy: 1.4552313430058677
Energy: 1.7334740854080783
Energy: 1.4746414291664096
Energy: 1.583955692086966
Energy: 1.4532869021032369
Energy: 1.5839556920854554
Energy: 1.5080158043481466
Energy: 1.6909126770955916
Energy: 1.3800619999646098
Energy: 1.690912677096347
Energy: 1.4618014024130128
Energy: 1.5999960197477963
Energy: 1.450325721085386
Energy: 1.5999960197485517
Energy: 1.320207457022837
Energy: 1.739943672521395
Energy: 1.457552421277445
Energy: 1.739943672521395
Energy: 1.4513859189835483
Energy: 1.4811613095178688
Energy: 1.361244119353457
Energy: 1.4811613095178688

minimum gb energy = 1.2111553429711603 eV
minimum distance =  2.60261151469708 Angstroms
sigma value = 9


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

Energy: 1.6379058183924846
Energy: 1.6352236044612856
Energy: 1.4317637820901148
Energy: 1.6352236044612856
Energy: 1.542494219301061
Energy: 1.7526262716881085
Energy: 1.595267651789865
Energy: 1.7526262716872076
Energy: 1.435456490585915
Energy: 1.6380090245853935
Energy: 1.531882349081301
Energy: 1.6380090245844927
Energy: 1.6349955106743785
Energy: 1.8559309055147035
Energy: 1.3816925166287437
Energy: 1.8559309055147035
Energy: 1.5842598546113484
Energy: 1.7404159577744638
Energy: 1.5473426916433348
Energy: 1.7404159577744638
Energy: 1.3073939376091575
Energy: 1.8177402146943853
Energy: 1.5018430220485293
Energy: 1.8177402146952861
Energy: 1.6382710872022779
Energy: 1.3815579176402875
Energy: 1.3867870979782275
Energy: 1.3815579176411885
Energy: 1.405818811005643
Energy: 1.8178128480985403
Energy: 1.375687558223426
Energy: 1.817812848099441
Energy: 1.6332165338985798
Energy: 1.7525121856275538
Energy: 1.5460026087834366
Energy: 1.752512185626653
Energy: 1.6289060107528137
Energy: 1.6235728700169427
Energy: 1.4998755585816639
Energy: 1.6235728700232492
Energy: 1.4758390923563736
Energy: 1.7969874267303936
Energy: 1.5312156991188972
Energy: 1.7969874267303936
Energy: 1.6329730206422235
Energy: 1.6236889422719603
Energy: 1.381633855763502
Energy: 1.6236889422575458
Energy: 1.3089299231243172
Energy: 1.6343056385079653
Energy: 1.357090594010744
Energy: 1.6343056385079653
Energy: 1.484174207946596
Energy: 1.6242923002802891
Energy: 1.5924837725965653
Energy: 1.6242923002793883
Energy: 1.3089293973716145
Energy: 1.6353029340385115
Energy: 1.318504077688296
Energy: 1.6353029340376106
Energy: 1.632312925917265
Energy: 1.6236541679901149
Energy: 1.3819653392873243
Energy: 1.623654167982007
Energy: 1.4759583619341872
Energy: 1.7971467910338208
Energy: 1.4738680311249241
Energy: 1.7971467910338208
Energy: 1.62921959421747
Energy: 1.6228393489871873
Energy: 1.501387663210024
Energy: 1.6228393489862865
Energy: 1.633580091001904
Energy: 1.752348278412925
Energy: 1.5224504179149172
Energy: 1.7523482784138258
Energy: 1.406001961463447
Energy: 1.8176249069992467
Energy: 1.3757972968755017
Energy: 1.817624906997445
Energy: 1.6380247029136208
Energy: 1.3817934315004663
Energy: 1.387010530711123
Energy: 1.3817934315004663

minimum gb energy = 1.3073939376091575 eV
minimum distance =  2.66639764364602 Angstroms
sigma value = 25


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

Energy: 1.4982043154652063
Energy: 1.9377735937193528
Energy: 1.583470803014899
Energy: 1.9377735937193528
Energy: 1.4590083258672175
Energy: 1.9597617961783371
Energy: 1.4238766482923169
Energy: 1.9597617961783371
Energy: 1.4267046705003361
Energy: 1.9904960648233165
Energy: 1.42322133803061
Energy: 1.9904960648233165
Energy: 1.4946040194958752
Energy: 1.9386055682501997
Energy: 1.5238845163853558
Energy: 1.9386055682501997
Energy: 1.526180337990379
Energy: 1.4557448563364175
Energy: 1.562793817994967
Energy: 1.4557448563364175
Energy: 1.4239839508664367
Energy: 1.9855934387614225
Energy: 1.431491714006681
Energy: 1.9855934387625367
Energy: 1.42425063753193
Energy: 1.708314357224323
Energy: 1.4244771208415388
Energy: 1.708314357225437
Energy: 1.5218269801176798
Energy: 1.9342716098020836
Energy: 1.4910718767442834
Energy: 1.9342716098020836
Energy: 1.423446770074778
Energy: 1.7254508623829548
Energy: 1.4612327645594805
Energy: 1.7254508623829548
Energy: 1.6132245991316942
Energy: 1.9296874810361728
Energy: 1.426499756732654
Energy: 1.9296874810361728
Energy: 1.4902733258688072
Energy: 1.937486235845221
Energy: 1.609697387647334
Energy: 1.937486235846335
Energy: 1.4245403780046737
Energy: 1.661933168359116
Energy: 1.618749123923298
Energy: 1.661933168359116
Energy: 1.5574777560134598
Energy: 1.9906551890386741
Energy: 1.4253524873296968
Energy: 1.9906551890386741
Energy: 1.4241745195439397
Energy: 1.9371182935773812
Energy: 1.4937469094833495
Energy: 1.9371182935773812
Energy: 1.7785883884016012
Energy: 1.9364847245670096
Energy: 1.5263277336834098
Energy: 1.9364847245670096
Energy: 1.456001770166765
Energy: 1.931598864121352
Energy: 1.4311158795819257
Energy: 1.931598864121352
Energy: 1.4246741325530696
Energy: 1.5618631394880955
Energy: 1.6159525392372074
Energy: 1.5618631394880955

minimum gb energy = 1.42322133803061 eV
minimum distance =  2.6534400688182 Angstroms
sigma value = 17


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

Energy: 1.7427361868104962
Energy: 1.734600646972845
Energy: 1.7424851657548281
Energy: 1.734600646972214
Energy: 1.6782044512772256
Energy: 1.6917497296314055
Energy: 1.4885966652198224
Energy: 1.6917497296307744
Energy: 1.572900800948385
Energy: 1.707241643034297
Energy: 1.4882513505216208
Energy: 1.7072416430317727
Energy: 1.4931301859607784
Energy: 1.7305085158837314
Energy: 1.6793454445417477
Energy: 1.7305085158824693
Energy: 1.6423734981048537
Energy: 1.834695949409052
Energy: 1.5326354685554497
Energy: 1.834695949409052
Energy: 1.5251408122168173
Energy: 1.751646225267143
Energy: 1.5393260652891936
Energy: 1.751646225267143
Energy: 1.4934649140658651
Energy: 1.7451257227597192
Energy: 1.6130869896532625
Energy: 1.7451257227597192
Energy: 1.5419226400095623
Energy: 1.733428960719127
Energy: 1.5173450158126727
Energy: 1.733428960719127
Energy: 1.5275144680572097
Energy: 1.8968042150177826
Energy: 1.617139183839641
Energy: 1.8968042150171518
Energy: 1.6971194630701378
Energy: 1.662573677538561
Energy: 1.4889203262844304
Energy: 1.6625736775417157
Energy: 1.4976795836695103
Energy: 1.7355836351237082
Energy: 1.5788126251986307
Energy: 1.7355836351224463
Energy: 1.522012562970785
Energy: 1.7437581072383979
Energy: 1.6417977441756353
Energy: 1.743758107239029
Energy: 1.6621995781227863
Energy: 1.7336756622233982
Energy: 1.7366288455795773
Energy: 1.73367566222466
Energy: 1.4882322680133357
Energy: 1.9555315360432066
Energy: 1.5983854388739023
Energy: 1.9555315360419443
Energy: 1.6176040280853725
Energy: 1.799179847034103
Energy: 1.5224418793027765
Energy: 1.799179847033472
Energy: 1.5685119287277312
Energy: 1.7320782719166985
Energy: 1.5413695446826108
Energy: 1.732078272052306
Energy: 1.6129982395418214
Energy: 1.834707610192384
Energy: 1.7509064369758804
Energy: 1.834707610193015
Energy: 1.5818941926518733
Energy: 1.7113782522660075
Energy: 1.524928843271858
Energy: 1.7113782522653764
Energy: 1.7096316651010381
Energy: 1.801315462032986
Energy: 1.5766357495781476
Energy: 1.8013154620336171
Energy: 1.7103182080364847
Energy: 1.7307178501031197
Energy: 1.4935626154070991
Energy: 1.7307178501031197
Energy: 1.5161396744053728
Energy: 1.7108653597722776
Energy: 1.5718110501156544
Energy: 1.7108653597716468
Energy: 1.612416269434322
Energy: 1.7140048048212064
Energy: 1.6909531834837808
Energy: 1.7140048048205754
Energy: 1.6485974034141457
Energy: 1.735197344203212
Energy: 1.4909492635119148
Energy: 1.7351973442000572
Energy: 1.6434086006049795
Energy: 1.8310254130593095
Energy: 1.573335470043265
Energy: 1.8310254130599404
Energy: 1.7377194637211353
Energy: 1.7070176790264169
Energy: 1.5719168980151552
Energy: 1.707017679024524
Energy: 1.692925687461911
Energy: 1.7374043587422512
Energy: 1.4926042173461198
Energy: 1.737404358738465
Energy: 1.5319827018969028
Energy: 1.7212540707121224
Energy: 1.7567909047114696
Energy: 1.7212540707127537
Energy: 1.5394029420614552
Energy: 1.7465178653412574
Energy: 1.573812336491634
Energy: 1.7465178653399958
Energy: 1.7576083950943506
Energy: 1.940449289830827
Energy: 1.4966694870196178
Energy: 1.9404492898295647
Energy: 1.517161632304794
Energy: 1.8979770476802185
Energy: 1.58247098229369
Energy: 1.8979770476789566

minimum gb energy = 1.4882322680133357 eV
minimum distance =  2.54895911547629 Angstroms
sigma value = 53


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

Energy: 1.4949131248196306
Energy: 1.4919901892477523
Energy: 1.770443343252705
Energy: 1.4919901892477523
Energy: 1.6749973848350725
Energy: 1.6518507152782635
Energy: 1.47059195692693
Energy: 1.6518507152797162
Energy: 1.4963852834972922
Energy: 1.492836791863515
Energy: 1.5104334108236668
Energy: 1.492836791863515
Energy: 1.4961728096459048
Energy: 1.492811445151675
Energy: 1.5102696437186935
Energy: 1.492811445151675
Energy: 1.6747569302724306
Energy: 1.6517838587767728
Energy: 1.5377302724065938
Energy: 1.6517838587767728
Energy: 1.4949131248210834
Energy: 1.4919901892477523
Energy: 1.6531531313465184
Energy: 1.4919901892477523
Energy: 1.6749973848336197
Energy: 1.6518507152782635
Energy: 1.5108192025654126
Energy: 1.6518507152797162
Energy: 1.4963852834987446
Energy: 1.492836791863515
Energy: 1.6802166366236673
Energy: 1.4928367918649676
Energy: 1.4961728096459048
Energy: 1.492811445151675
Energy: 1.5699918271138358
Energy: 1.492811445151675
Energy: 1.6747569302738832
Energy: 1.65178385877532
Energy: 1.5967178780024336
Energy: 1.6517838587767728
Energy: 1.4949131248196306
Energy: 1.4919901892477523
Energy: 1.653161607774062
Energy: 1.4919901892477523
Energy: 1.6749973848350725
Energy: 1.6518507152797162
Energy: 1.5703708153375944
Energy: 1.651850715281169
Energy: 1.4963852834972922
Energy: 1.492836791863515
Energy: 1.6802166366236673
Energy: 1.4928367918649676

minimum gb energy = 1.47059195692693 eV
minimum distance =  2.64434207908171 Angstroms
sigma value = 9


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

Energy: 1.647407870120049
Energy: 2.0327033767375964
Energy: 1.8773904195568925
Energy: 2.0327033767375964
Energy: 1.7770491825081975
Energy: 1.6608261964208968
Energy: 1.5992485989637908
Energy: 1.6608261964208968
Energy: 1.5303112602105142
Energy: 1.6175827946345442
Energy: 1.5728362658072086
Energy: 1.6175827946350332
Energy: 1.5941070107815893
Energy: 2.050882055422835
Energy: 1.547963795763274
Energy: 2.050882055422835
Energy: 1.661585417791223
Energy: 1.7027983903133033
Energy: 1.5794220920778113
Energy: 1.7027983903133033
Energy: 1.6217366218325724
Energy: 1.6180793973906713
Energy: 1.5691913275729654
Energy: 1.6180793973906713
Energy: 1.8032118463501134
Energy: 1.691446157591501
Energy: 1.600157925175493
Energy: 1.691446157591501
Energy: 1.5546955431248903
Energy: 2.0570797392763116
Energy: 1.6790940126371208
Energy: 2.0570797392747475
Energy: 1.534438064081966
Energy: 2.0743900736036704
Energy: 1.6279231338671543
Energy: 2.0743900736036704
Energy: 1.5315636869976623
Energy: 1.6556082279640023
Energy: 1.601666590566037
Energy: 1.6556082279640023
Energy: 1.5573607895794623
Energy: 2.0958279838980873
Energy: 1.7106787319949472
Energy: 2.0958279838980873
Energy: 1.7624360445234586
Energy: 2.1409017834150994
Energy: 1.5378605736007518
Energy: 2.1409017834150994
Energy: 1.5337392882578054
Energy: 1.8426817246240457
Energy: 1.704362738602465
Energy: 1.84268172462297
Energy: 1.6014147823885159
Energy: 2.0647163429848794
Energy: 1.6557141773754758
Energy: 2.0647163429853688
Energy: 1.6038519525467634
Energy: 1.8449187528451851
Energy: 1.629085333674687
Energy: 1.844918752845772
Energy: 1.5385342330049585
Energy: 2.0736707889485824
Energy: 1.5779244853404797
Energy: 2.073670788949169
Energy: 1.6050666659852224
Energy: 1.8445849590074972
Energy: 1.6039118515828121
Energy: 1.8445849590074972
Energy: 1.5617786781680485
Energy: 1.691797152333898
Energy: 1.7434460612363138
Energy: 1.6917971523333115
Energy: 1.7380233876753595
Energy: 1.84123682972966
Energy: 1.6246872665477061
Energy: 1.8412368297279984
Energy: 1.5815730746037107
Energy: 1.682913054120027
Energy: 1.6374176997435368
Energy: 1.682913054120027
Energy: 1.6014035964710895
Energy: 2.0490383454977517
Energy: 1.5971359820289346
Energy: 2.0490383454966765
Energy: 1.6372597870982186
Energy: 1.7052427771081016
Energy: 1.5309999953075801
Energy: 1.7052427771081016
Energy: 1.628190916974867
Energy: 1.8800820654316592
Energy: 1.5342140296207434
Energy: 1.8800820654321477
Energy: 1.8003672750596038
Energy: 2.0370638974212354
Energy: 1.554362936786422
Energy: 2.0370638974206488
Energy: 1.599811638926105
Energy: 2.13319855668131
Energy: 1.863948625167686
Energy: 2.1331985566764224
Energy: 1.550695810255816
Energy: 1.618971643589376
Energy: 1.5306203675927772
Energy: 1.618971643589376
Energy: 1.6013076126287602
Energy: 1.8488559786427523
Energy: 1.5935737969005168
Energy: 1.8488559786422634
Energy: 1.6396107111681777
Energy: 2.0508405892210977
Energy: 1.594318261012577
Energy: 2.050840589221586
Energy: 1.5972982524868566
Energy: 1.6187643646444303
Energy: 1.5297878313509332
Energy: 1.618764364645017
Energy: 1.5995328213044004
Energy: 1.9761767431372
Energy: 1.8664386922649114
Energy: 1.9761767431376889
Energy: 1.8188545409580594
Energy: 2.1022318954391976
Energy: 1.553101569387135
Energy: 2.1022318954381225
Energy: 1.6307831781137956
Energy: 1.6937135965649148
Energy: 1.531459275992412
Energy: 1.693713596564426
Energy: 1.6011085871780586
Energy: 1.7076217672718614
Energy: 1.5301000005575334
Energy: 1.7076217672712752
Energy: 1.5897050915700808
Energy: 2.050476575252323
Energy: 1.5939371711667527
Energy: 2.050476575253887
Energy: 1.5797561604259862
Energy: 1.8574512197303579
Energy: 1.802479014650507
Energy: 1.857451219731922

minimum gb energy = 1.5297878313509332 eV
minimum distance =  2.60820483002723 Angstroms
sigma value = 73


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

Energy: 1.78230183033917
Energy: 1.7767483386599814
Energy: 1.6622783784907382
Energy: 1.7767483386599814
Energy: 1.7433612804950998
Energy: 1.7905670579963215
Energy: 1.624904657976395
Energy: 1.7905670579954684
Energy: 1.5660421367721713
Energy: 1.9824929950871106
Energy: 1.5892118281915117
Energy: 1.9824929950879635
Energy: 1.505833658809251
Energy: 1.9137914663525721
Energy: 1.5992153379934082
Energy: 1.913791466351719
Energy: 1.5645344224948372
Energy: 1.7558071523853342
Energy: 1.6140976884468803
Energy: 1.7558071523870404
Energy: 1.6004472039456155
Energy: 1.991328036412968
Energy: 1.597922495738269
Energy: 1.991328036412115
Energy: 1.8446038521232602
Energy: 1.8109495029703235
Energy: 1.5568851807321624
Energy: 1.8109495029711766
Energy: 1.544221219246999
Energy: 1.6495825158066924
Energy: 1.7670450382446858
Energy: 1.6495825158066924
Energy: 1.6884821602800526
Energy: 1.6509728625181643
Energy: 1.6479979208728313
Energy: 1.6509728625181643
Energy: 1.6199092475633665
Energy: 1.6779059358425428
Energy: 1.6201820587106626
Energy: 1.6779059358408366
Energy: 1.5398123083864559
Energy: 1.6496043754890914
Energy: 1.657411236693965
Energy: 1.6496043754882384
Energy: 1.6865460833922041
Energy: 1.9213844366097614
Energy: 1.5045176536314022
Energy: 1.9213844366114672
Energy: 1.599402153515198
Energy: 1.7378306029257133
Energy: 1.8190043264087155
Energy: 1.7378306029265669
Energy: 1.6823208557506435
Energy: 1.8873411355863636
Energy: 1.6036721498412514
Energy: 1.8873411355855108
Energy: 1.5764107542829868
Energy: 1.8995393112975543
Energy: 1.8154266302678697
Energy: 1.89953931129674
Energy: 1.6568086987922195
Energy: 1.980861239079986
Energy: 1.5442396428510103
Energy: 1.980861239079986
Energy: 1.7011228674642591
Energy: 2.011419984248247
Energy: 1.5630121048914425
Energy: 2.0114199842473934
Energy: 1.698574573977128
Energy: 1.915052561826453
Energy: 1.5609360882636962
Energy: 1.915052561826453
Energy: 1.5005096910896725
Energy: 1.649670159392354
Energy: 1.543847987977873
Energy: 1.6496701593932068
Energy: 1.6250151390132175
Energy: 1.7244685582105412
Energy: 1.911329290835379
Energy: 1.724468558211394
Energy: 1.7149810082678936
Energy: 1.9368911912365792
Energy: 1.6056337276868564
Energy: 1.9368911912357263
Energy: 1.6273428854218823
Energy: 1.7588963143807106
Energy: 1.712409705638459
Energy: 1.7588963143807106

minimum gb energy = 1.5005096910896725 eV
minimum distance =  2.6217950587328 Angstroms
sigma value = 7


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

Energy: 1.6938161384876156
Energy: 1.688875261294039
Energy: 1.7413180459965436
Energy: 1.6888752612934357
Energy: 1.7853324075709984
Energy: 1.7033487419861895
Energy: 1.6139390787469834
Energy: 1.7033487419898083
Energy: 1.5725335283015687
Energy: 1.9672547393066813
Energy: 1.5582179146348403
Energy: 1.9672547393024593
Energy: 1.5208960728862015
Energy: 1.7890390181326945
Energy: 1.6156070471647377
Energy: 1.7890390181314884
Energy: 1.5869047287611096
Energy: 1.7227535363669544
Energy: 1.6034912598177045
Energy: 1.7227535363663513
Energy: 1.5770992446309757
Energy: 1.6903217164100215
Energy: 1.654206953012503
Energy: 1.6903217164130375
Energy: 1.8301039757818331
Energy: 1.9270725623800176
Energy: 1.587982388026746
Energy: 1.9270725623722307
Energy: 1.576793902125586
Energy: 1.6902056473812623
Energy: 1.8528717534510708
Energy: 1.690205647380659
Energy: 1.7141119534095264
Energy: 1.7579883138633725
Energy: 1.610162995424871
Energy: 1.7579883138633725
Energy: 1.5825512439089395
Energy: 1.733557401154901
Energy: 1.6892991561562543
Energy: 1.7335574011524884
Energy: 1.5149048328316659
Energy: 1.966062789786308
Energy: 1.550921464269907
Energy: 1.9660627897869112
Energy: 1.6497464432892446
Energy: 1.722693131132413
Energy: 1.545979932210038
Energy: 1.722693131129397
Energy: 1.6876510390526414
Energy: 1.6912014677000076
Energy: 1.550955252747208
Energy: 1.6912014677030236
Energy: 1.558223595701157
Energy: 1.6670839944664948
Energy: 1.5452519074976068
Energy: 1.6670839944628755
Energy: 1.5827746595833208
Energy: 1.828919961121429
Energy: 1.8304238090212819
Energy: 1.8289199611581686
Energy: 1.7437558010411425
Energy: 1.6651211073041818
Energy: 1.6049376841196246
Energy: 1.6651211073041818
Energy: 1.5856255450187349
Energy: 1.7310033847760935
Energy: 1.7654202995820554
Energy: 1.7310033847742838
Energy: 1.5880058565780835
Energy: 1.6710338946208978
Energy: 1.5455293339799032
Energy: 1.6710338946190881
Energy: 1.567892333011305
Energy: 1.9629477498091699
Energy: 1.5508238271637298
Energy: 1.9629477498079635
Energy: 1.5845544544398813
Energy: 1.7229227505136966
Energy: 1.5462452030127718
Energy: 1.7229227505167126
Energy: 1.5151591074179585
Energy: 2.177435487462471
Energy: 1.6106448708371144
Energy: 2.177435487462471
Energy: 1.5828468453685829
Energy: 1.9578596102950827
Energy: 1.7743778948097735
Energy: 1.9578524124715817
Energy: 1.7577897953902708
Energy: 1.9144978508089459
Energy: 1.5821553928495378
Energy: 1.9144978508065331
Energy: 1.6987270300487398
Energy: 1.6903042591484931
Energy: 1.6538036617872642
Energy: 1.6903042591484931
Energy: 1.6224581584858513
Energy: 1.7225058011366752
Energy: 1.5798797145992265
Energy: 1.7225058011415006
Energy: 1.52056406409073
Energy: 1.9645709448427873
Energy: 1.540933661041407
Energy: 1.9645709448433906
Energy: 1.572421871151227
Energy: 1.7337269236203747
Energy: 1.6449442922209603
Energy: 1.7337269236239938
Energy: 1.5216129465548236
Energy: 1.7306342562997032
Energy: 1.6154245729555592
Energy: 1.7306342562997032
Energy: 1.5717037883852516
Energy: 1.6892501406229297
Energy: 1.6238818402462474
Energy: 1.6892501406265485
Energy: 1.8548666311907316
Energy: 1.6452912095527785
Energy: 1.613477187598742
Energy: 1.6452912095539851
Energy: 1.5717356001649911
Energy: 1.6896722298275404
Energy: 1.8116971315448511
Energy: 1.6896722298257307

minimum gb energy = 1.5149048328316659 eV
minimum distance =  2.60463911739916 Angstroms
sigma value = 29


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

Energy: 1.5876591702105014
Energy: 1.5982837846917424
Energy: 1.5187001078224975
Energy: 1.5982837846917424
Energy: 1.4932362524160017
Energy: 1.626336210095969
Energy: 1.6275207567039087
Energy: 1.626336210095969
Energy: 1.520108169166545
Energy: 1.7536805753790132
Energy: 1.4901212377903141
Energy: 1.7536805753790132
Energy: 1.6288754431043382
Energy: 1.697299710716298
Energy: 1.6271692180801778
Energy: 1.697299710718352
Energy: 1.6230348943586834
Energy: 1.7001656661104105
Energy: 1.7093766669693033
Energy: 1.700165666108356
Energy: 1.4212200980246539
Energy: 1.7575562925176107
Energy: 1.4212032835251274
Energy: 1.7575562925176107
Energy: 1.541720399560836
Energy: 1.6999970294628524
Energy: 1.6222850315122057
Energy: 1.699997029464907
Energy: 1.6270207432277315
Energy: 1.6970152808977657
Energy: 1.6295506205906725
Energy: 1.6970152808977657
Energy: 1.4904430929401178
Energy: 1.7539452635672783
Energy: 1.4204213784131805
Energy: 1.7539452635672783

minimum gb energy = 1.4204213784131805 eV
minimum distance =  2.62644728522549 Angstroms
sigma value = 5


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

Energy: 1.5424696318983586
Energy: 1.570407086013568
Energy: 1.482999106162392
Energy: 1.5704070860141375
Energy: 1.8535901476686436
Energy: 1.5101157230410795
Energy: 1.466569151829032
Energy: 1.5101157230433586
Energy: 1.4486808735637562
Energy: 1.5449996869298344
Energy: 1.710208132377953
Energy: 1.5449996869298344
Energy: 1.4327738638639393
Energy: 1.6131627692995898
Energy: 1.5145232788572494
Energy: 1.6131627692944617
Energy: 1.4901933656455075
Energy: 1.625811243245415
Energy: 1.69455121577489
Energy: 1.6258112432459846
Energy: 1.4798918752425378
Energy: 1.573494751219543
Energy: 1.4825560123734918
Energy: 1.5734947512189734
Energy: 1.4487590756091908
Energy: 1.6266676719803277
Energy: 1.4515733091306195
Energy: 1.6266676719803277
Energy: 1.4669258187476497
Energy: 1.5721677870129485
Energy: 1.4598157667187737
Energy: 1.572167787014088
Energy: 1.4921889797449006
Energy: 1.6257740058572334
Energy: 1.4572643892781103
Energy: 1.6257740058566639
Energy: 1.4988068854871468
Energy: 1.6288391010700718
Energy: 1.4281526889609082
Energy: 1.6288391010712113
Energy: 1.47249922510488
Energy: 1.6065090026023752
Energy: 1.4562555546402494
Energy: 1.606509002512919
Energy: 1.4491480079341068
Energy: 1.6433290705415544
Energy: 1.5615115008236253
Energy: 1.6433290705415544
Energy: 1.487411823912917
Energy: 1.571742736683468
Energy: 1.5705607587874264
Energy: 1.571742736683468
Energy: 1.500637496986151
Energy: 1.5695182218589874
Energy: 1.8285482186247002
Energy: 1.569518221860127
Energy: 1.7378595470314266
Energy: 1.4927019409426225
Energy: 1.4564601066221816
Energy: 1.4927019409449014
Energy: 1.503144283753278
Energy: 1.5448433093289726
Energy: 1.4729985757641288
Energy: 1.5448433093284029
Energy: 1.6971125570877574
Energy: 1.5259169114690023
Energy: 1.4674164306943
Energy: 1.5259169114672932
Energy: 1.4859009005804806
Energy: 1.571092728159964
Energy: 1.5600666690709415
Energy: 1.5710927281582547
Energy: 1.4859173432998503
Energy: 1.631144576849587
Energy: 1.4647075753114744
Energy: 1.6311445768501567
Energy: 1.4495305784617876
Energy: 1.901044599387671
Energy: 1.506374300573608
Energy: 1.9010445993882408
Energy: 1.4295338049532496
Energy: 1.6086603076641681
Energy: 1.5037452985082331
Energy: 1.6086603076641681
Energy: 1.4977423339096214
Energy: 1.6260570280924198
Energy: 1.4859793673020618
Energy: 1.6260570280929894
Energy: 1.4743758235751987
Energy: 1.5712393977672607
Energy: 1.4296825065528158
Energy: 1.5712393977684003
Energy: 1.566421036137506
Energy: 1.8623031367917426
Energy: 1.449520028592326
Energy: 1.8623031367928822
Energy: 1.586529749053727
Energy: 1.5533907904264073
Energy: 1.4645258820409912
Energy: 1.5533907904264073
Energy: 1.5382857826585592
Energy: 1.569839455728466
Energy: 1.4855633243121524
Energy: 1.5698394557290356
Energy: 1.4906200664913158
Energy: 1.4731699962507128
Energy: 1.5114336095312548
Energy: 1.4731699962501432
Energy: 1.446494443726103
Energy: 1.485100943560568
Energy: 1.5032760622476937
Energy: 1.4851009435594287
Energy: 1.4674638505580946
Energy: 1.506574620943834
Energy: 1.904116630662696
Energy: 1.506574620945543
Energy: 1.652190096133786
Energy: 1.570914988310556
Energy: 1.4912059583236443
Energy: 1.5709149883099862
Energy: 1.482609572503669
Energy: 1.52224749786138
Energy: 1.6519211956937705
Energy: 1.5222474978608103
Energy: 1.6981076442013747
Energy: 1.5531126494685596
Energy: 1.4487143099753228
Energy: 1.5531126494708385
Energy: 1.5121239463027019
Energy: 1.6081719051299777
Energy: 1.422274710506951
Energy: 1.608171905128838

minimum gb energy = 1.422274710506951 eV
minimum distance =  2.6222096906384 Angstroms
sigma value = 1


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

Energy: 1.4956382722026176
Energy: 1.491362775034541
Energy: 1.5020594525920588
Energy: 1.491362775036117
Energy: 1.8090026241944053
Energy: 1.4227948814371552
Energy: 1.42842501677436
Energy: 1.4227948814379432
Energy: 1.3690962360474288
Energy: 1.4915466993982487
Energy: 1.9771482903482007
Energy: 1.4915466993974607
Energy: 1.4333179634669992
Energy: 1.5650162451410223
Energy: 1.4316747192962238
Energy: 1.5650162451425977
Energy: 1.3700953722721452
Energy: 1.4889662258027225
Energy: 1.7110544282966131
Energy: 1.4889662258011471
Energy: 1.3746773597028628
Energy: 1.85425721122276
Energy: 1.4327096855886818
Energy: 1.8542572112235478
Energy: 1.3694457034664194
Energy: 1.6239511082453693
Energy: 1.4377665945633171
Energy: 1.6239511082469449
Energy: 1.3702443296764326
Energy: 1.5558896630292247
Energy: 1.4451499164616164
Energy: 1.555889663033164
Energy: 1.4873956039167966
Energy: 1.4947190797624625
Energy: 1.4453241443033749
Energy: 1.4947190797624625
Energy: 1.4868152258840526
Energy: 1.4948345170618507
Energy: 1.4440019755963214
Energy: 1.4948345170618507
Energy: 1.3702126445567213
Energy: 1.853754940692458
Energy: 1.4455408044736644
Energy: 1.853754940692458
Energy: 1.370410232531588
Energy: 1.6241904490170478
Energy: 1.4393193223944285
Energy: 1.6241904490138965
Energy: 1.3746909935114358
Energy: 1.8539137389588165
Energy: 1.4327088082940849
Energy: 1.8539137389572407
Energy: 1.3699836300154333
Energy: 1.492032259790246
Energy: 1.5124710077215575
Energy: 1.492032259790246
Energy: 1.4337769087830357
Energy: 1.5649419285801875
Energy: 1.4315913817007069
Energy: 1.5649419285817632
Energy: 1.3690960357527844
Energy: 1.491927867956447
Energy: 1.4504448935260554
Energy: 1.491927867956447
Energy: 1.808746749163558
Energy: 1.4230918881027514
Energy: 1.4282041869538715
Energy: 1.4230918881011758
Energy: 1.4956382722018295
Energy: 1.4913627750337535
Energy: 1.6854418055464828
Energy: 1.491362775036117
Energy: 1.8090026241936175
Energy: 1.42279488143558
Energy: 1.4284250167751478
Energy: 1.4227948814379432
Energy: 1.3690962360474288
Energy: 1.4915466993974607
Energy: 1.9771482902710307
Energy: 1.4915466993966728
Energy: 1.4333179634669992
Energy: 1.5650162451418101
Energy: 1.4316747192970118
Energy: 1.5650162451410223
Energy: 1.3700953722721452
Energy: 1.4889662258027225
Energy: 1.7110544283225753
Energy: 1.4889662258011471
Energy: 1.3746773597028628
Energy: 1.8542572112235478
Energy: 1.4327096855886818
Energy: 1.8542572112235478
Energy: 1.3694457034664194
Energy: 1.6239511082453693
Energy: 1.437766594564105
Energy: 1.6239511082469449

minimum gb energy = 1.3690960357527844 eV
minimum distance =  2.63956733190231 Angstroms
sigma value = 17


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

Energy: 1.4599246449762662
Energy: 1.4558517052127895
Energy: 1.76500751063354
Energy: 1.4558517052127895
Energy: 1.8901387361433748
Energy: 1.4387654340827825
Energy: 1.3906821166680985
Energy: 1.4387654340827825
Energy: 1.396768776790698
Energy: 1.4317514609994264
Energy: 1.7611709425284714
Energy: 1.4317514609994264
Energy: 1.4188323116833295
Energy: 1.3861481947099927
Energy: 1.3888082982503538
Energy: 1.3861481947051233
Energy: 1.3689705863165293
Energy: 1.5385349041611696
Energy: 1.754828614175846
Energy: 1.5385349041611696
Energy: 1.3528264829666423
Energy: 1.932861021559913
Energy: 1.418124883903954
Energy: 1.932861021559913
Energy: 1.393076693531692
Energy: 1.5107014057371042
Energy: 1.4657387043673655
Energy: 1.5107014057371042
Energy: 1.3670049981735408
Energy: 1.7110119485407032
Energy: 1.3688008831727128
Energy: 1.7110119485407032
Energy: 1.4497470354446482
Energy: 1.7188622006788314
Energy: 1.424304866117941
Energy: 1.7188622006788314
Energy: 1.455334787262003
Energy: 1.492215385165133
Energy: 1.393124499091021
Energy: 1.492215385165133
Energy: 1.397387551298806
Energy: 1.4519409488495822
Energy: 1.3694899390975153
Energy: 1.4519409488544515
Energy: 1.4008678192054709
Energy: 1.4982440968584567
Energy: 1.368548494452869
Energy: 1.4982440968535875
Energy: 1.3509078648806716
Energy: 1.7015914482973793
Energy: 1.3920876193496878
Energy: 1.7015914483022487
Energy: 1.3664981240735634
Energy: 1.536647347812516
Energy: 1.4833584322396804
Energy: 1.536647347812516
Energy: 1.3679351914780156
Energy: 1.6885419647572713
Energy: 1.4680449663836042
Energy: 1.6885419647572713
Energy: 1.3969294767948142
Energy: 1.4318792195074725
Energy: 1.7462285695009698
Energy: 1.4318792195074725
Energy: 1.4126958625985973
Energy: 1.6915686491241173
Energy: 1.3918748139225752
Energy: 1.6915686491241173
Energy: 1.3868398365552466
Energy: 1.4567311284526345
Energy: 1.3835927457511212
Energy: 1.456731128457504
Energy: 1.614742566654194
Energy: 1.5037124914352291
Energy: 1.3987152591016214
Energy: 1.5037124914400986
Energy: 1.4205075750957517
Energy: 1.4304751358804109
Energy: 1.5958208568902876
Energy: 1.4304751358804109
Energy: 1.922689075363154
Energy: 1.4201715039948637
Energy: 1.3894471934635972
Energy: 1.4201715039899945
Energy: 1.3896381933287885
Energy: 1.4573490579430035
Energy: 1.9129457786173245
Energy: 1.4573490579478727
Energy: 1.5932536784866
Energy: 1.41513811071806
Energy: 1.4218164827993338
Energy: 1.41513811071806
Energy: 1.3981088477564156
Energy: 1.5109404190297104
Energy: 1.6240962858982513
Energy: 1.5109404190297104
Energy: 1.4098256916639484
Energy: 1.4571990639441093
Energy: 1.3873941346072496
Energy: 1.4571990639441093
Energy: 1.3928497738275727
Energy: 1.5400596909781166
Energy: 1.41496613007619
Energy: 1.5400596909781166
Energy: 1.5757524804463106
Energy: 1.4823632810114122
Energy: 1.3979171510648774
Energy: 1.4823632810114122
Energy: 1.4728518271017308
Energy: 1.6883807644105184
Energy: 1.3725110780859164
Energy: 1.688380764405649
Energy: 1.4804412221992271
Energy: 1.5366504594579602
Energy: 1.371251224902527
Energy: 1.5366504594579602
Energy: 1.3939392104192976
Energy: 1.7015441685214754
Energy: 1.4199506464319116
Energy: 1.7015441685214754
Energy: 1.3675355852157438
Energy: 1.5372663900893944
Energy: 1.3986102388754609
Energy: 1.5372663900893944
Energy: 1.370433144371517
Energy: 1.675125411189127
Energy: 1.3955610701531622
Energy: 1.675125411189127
Energy: 1.3985496141555456
Energy: 1.492744823992548
Energy: 1.6232838816489188
Energy: 1.492744823992548
Energy: 1.4262641625859667
Energy: 1.7166920902931764
Energy: 1.424044317782838
Energy: 1.7166920902931764
Energy: 1.3676629533602347
Energy: 1.4583086741424427
Energy: 1.4079386664157016
Energy: 1.4583086741424427
Energy: 1.4564762780251668
Energy: 1.5119270736714678
Energy: 1.3921906141955722
Energy: 1.5119270736714678
Energy: 1.4219894834959765
Energy: 1.7051315049054965
Energy: 1.3473446544200554
Energy: 1.7051315049006273
Energy: 1.7491222882172803
Energy: 1.5402622898275597
Energy: 1.3892736473881817
Energy: 1.5402622898275597

minimum gb energy = 1.3473446544200554 eV
minimum distance =  2.62766815459737 Angstroms
sigma value = 89


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

Energy: 1.2731400048162829
Energy: 1.2705353806042652
Energy: 1.2234063201660534
Energy: 1.2705353806029915
Energy: 1.2762583251402588
Energy: 1.3269736141190864
Energy: 1.2813262629355022
Energy: 1.3269736141190864
Energy: 1.2805815379883896
Energy: 1.5007904196282944
Energy: 1.8221834854599215
Energy: 1.5007904196282944
Energy: 1.2386825902767444
Energy: 1.3269648088936055
Energy: 1.2816616827247147
Energy: 1.3269648088936055
Energy: 1.28013155047871
Energy: 1.3812644364791573
Energy: 2.100910183343736
Energy: 1.3812644364791573
Energy: 1.2719319366389021
Energy: 1.2729148218664317
Energy: 1.2774404075014514
Energy: 1.2729148218664317
Energy: 1.2798312341062985
Energy: 1.5008774559615936
Energy: 1.282698244320041
Energy: 1.5008774559615936
Energy: 1.217582297132157
Energy: 1.3926842956814587
Energy: 1.2808030545446782
Energy: 1.3926842956827328
Energy: 1.2798960930716357
Energy: 1.382292709196961
Energy: 1.2284069521577148
Energy: 1.382292709198235
Energy: 1.3265339448880717
Energy: 1.2688249486859944
Energy: 1.2701841082163103
Energy: 1.2688249487879204
Energy: 1.2665904144323767
Energy: 1.3283637974585738
Energy: 1.2807261325975414
Energy: 1.3283637974572995
Energy: 1.2666169513327723
Energy: 1.5052905598287023
Energy: 1.2813353198075896
Energy: 1.5052905598287023
Energy: 1.273057676727614
Energy: 1.274024184113029
Energy: 1.2391211365175523
Energy: 1.274024184113029
Energy: 1.2736140369938846
Energy: 1.3790432355692117
Energy: 1.273101125200222
Energy: 1.3790432355692117
Energy: 1.2359033960739543
Energy: 1.2740510170659836
Energy: 1.2729489254693234
Energy: 1.2740510170659836

minimum gb energy = 1.217582297132157 eV
minimum distance =  2.65772607854011 Angstroms
sigma value = 13


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

Energy: 1.235419334241324
Energy: 1.1778785690733087
Energy: 1.5006406637066712
Energy: 1.1778785690759301
Energy: 1.8116251074220773
Energy: 1.2157934841305935
Energy: 1.1554832555027539
Energy: 1.215793484133312
Energy: 1.1810716665512069
Energy: 1.1778438810951344
Energy: 1.4223891118115894
Energy: 1.177843881094649
Energy: 1.187577314880561
Energy: 1.2157942546511253
Energy: 1.1509631482122573
Energy: 1.2157942546548148
Energy: 1.1908058039923233
Energy: 1.2598026861133742
Energy: 1.188118141650536
Energy: 1.259802686093082
Energy: 1.393890499201061
Energy: 1.215322475455671
Energy: 1.1969683482848437
Energy: 1.2153224754546033
Energy: 1.1907807993529242
Energy: 1.2691785088288738
Energy: 1.7033359119203895
Energy: 1.2691785088272234
Energy: 1.1349150481015269
Energy: 1.2162766161510898
Energy: 1.1970760962074092
Energy: 1.2162766161430312
Energy: 1.1908965640959368
Energy: 1.266961701903233
Energy: 1.496063592995541
Energy: 1.2669617019075052
Energy: 1.4182775511885926
Energy: 1.2958313947081477
Energy: 1.151243706638867
Energy: 1.2958313947113518
Energy: 1.1910694012277365
Energy: 1.2971203549152308
Energy: 1.158655065658022
Energy: 1.2971203549146482
Energy: 1.599968926129723
Energy: 1.2957235195475358
Energy: 1.1566193136564569
Energy: 1.295723519548604
Energy: 1.2453996229415996
Energy: 1.2039472778549623
Energy: 1.153141244036901
Energy: 1.2039472778560305
Energy: 1.6288082500905015
Energy: 1.2960989758693573
Energy: 1.1574098096058645
Energy: 1.2960989758586767
Energy: 1.1916287147380071
Energy: 1.1778650199250902
Energy: 1.150453319839274
Energy: 1.1778650199282943
Energy: 1.1854513646531553
Energy: 1.2971539962588294
Energy: 1.15997252715005
Energy: 1.297153996261548
Energy: 1.1780036100747322
Energy: 1.1761972814710464
Energy: 1.1566166990366362
Energy: 1.1761972814699786
Energy: 1.1746077495263467
Energy: 1.264302200884573
Energy: 1.2066252423137342
Energy: 1.264302200884573
Energy: 1.1784278704003288
Energy: 1.2654867406048402
Energy: 1.2070609121511497
Energy: 1.2654867405562937
Energy: 1.1783367885230374
Energy: 1.2659242752653663
Energy: 1.2063861228839179
Energy: 1.265924275267017
Energy: 1.1744666097525882
Energy: 1.2646069733286922
Energy: 1.2061954502053491
Energy: 1.2646069733249055
Energy: 1.1782036542583918
Energy: 1.175748429294707
Energy: 1.1570117344018949
Energy: 1.1757484292951923
Energy: 1.1858024990207325
Energy: 1.2975180742646177
Energy: 1.1596592696100239
Energy: 1.2975180742624814
Energy: 1.1916336002593997
Energy: 1.178046329439828
Energy: 1.1430696277310297
Energy: 1.1780463294430321
Energy: 1.6285923955263497
Energy: 1.2962058080560903
Energy: 1.1570100805455619
Energy: 1.2962058080550223
Energy: 1.2449979277002798
Energy: 1.203945438715475
Energy: 1.159470155592859
Energy: 1.2039454387171258
Energy: 1.5997257419031174
Energy: 1.295668532917466
Energy: 1.1568750452685261
Energy: 1.2956685329180486
Energy: 1.1911316101261362
Energy: 1.29700687991925
Energy: 1.1600533964111275
Energy: 1.297006879918182
Energy: 1.4182845759417004
Energy: 1.295863771142106
Energy: 1.1512223891577915
Energy: 1.2958637711393874
Energy: 1.1909931901407143
Energy: 1.2669809412915696
Energy: 1.5904152427552742
Energy: 1.26698094128788
Energy: 1.13462994188434
Energy: 1.2165542141351389
Energy: 1.197086438444817
Energy: 1.216554214138343
Energy: 1.1910013649940001
Energy: 1.2697094527554165
Energy: 1.7982467288513386
Energy: 1.2697094527474553
Energy: 1.3935669398342185
Energy: 1.2151036481651407
Energy: 1.1970165253380496
Energy: 1.2151036481640725
Energy: 1.1908615297345049
Energy: 1.2597578238713036
Energy: 1.1882487261036765
Energy: 1.259757823867031
Energy: 1.1876443943968689
Energy: 1.2160324177151842
Energy: 1.151024381264257
Energy: 1.2160324177179027

minimum gb energy = 1.13462994188434 eV
minimum distance =  2.67221145019864 Angstroms
sigma value = 37


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

Energy: 1.3503621692464378
Energy: 1.1591825364258048
Energy: 1.6965302173505983
Energy: 1.1591825364267234
Energy: 1.9797809476906607
Energy: 1.120528199715731
Energy: 1.0376746582112353
Energy: 1.120528199715731
Energy: 1.094514794898384
Energy: 1.5560087672556586
Energy: 1.4850932146850546
Energy: 1.5560087672547398
Energy: 1.2347866915166608
Energy: 1.120365922241401
Energy: 1.0600254555027981
Energy: 1.1203659222404823
Energy: 1.0574770083094274
Energy: 1.1189876335375166
Energy: 1.0771955688998116
Energy: 1.1189876335384354
Energy: 1.021306086540969
Energy: 1.1194430639300257
Energy: 1.2517074622550854
Energy: 1.119443063929107
Energy: 1.061647592619407
Energy: 1.5958008839930984
Energy: 1.6489625772332548
Energy: 1.5958008839930984
Energy: 1.0330925285515944
Energy: 1.1224697010556886
Energy: 1.128326548357981
Energy: 1.1224697010547697
Energy: 1.0376181024812112
Energy: 1.1191264747425347
Energy: 1.4345232066525428
Energy: 1.1191264747434533
Energy: 1.5241177840335653
Energy: 1.2358212960705113
Energy: 1.2518879044815046
Energy: 1.2358212960677553
Energy: 1.0810281746019876
Energy: 1.2218914454643195
Energy: 1.247570416342517
Energy: 1.2218914454643195
Energy: 1.5524809949795941
Energy: 1.1194650173581175
Energy: 1.0603111569331214
Energy: 1.1194650173590361
Energy: 1.252656444460347
Energy: 1.1193128514919475
Energy: 1.0197103550778743
Energy: 1.1193128514919475
Energy: 1.6496969304664557
Energy: 1.1821464792828202
Energy: 1.032287477136108
Energy: 1.182146479283739
Energy: 1.3507264185199361
Energy: 1.1825865831804114
Energy: 1.0333143351973837
Energy: 1.1825865831804114
Energy: 1.349331631044174
Energy: 1.1197823266253497
Energy: 1.041496462145963
Energy: 1.1197823266244311
Energy: 1.2530029519251575
Energy: 1.237944529223533
Energy: 0.9972009352427297
Energy: 1.237944529223533
Energy: 1.2488162813002355
Energy: 1.2222349544637938
Energy: 1.0552868834925038
Energy: 1.2222349544665503
Energy: 1.0557467903950362
Energy: 1.1212633482646222
Energy: 1.0505048707286642
Energy: 1.1212633482646222
Energy: 1.0508150410173744
Energy: 1.118601924717416
Energy: 1.2521719706674992
Energy: 1.1186019247183345

minimum gb energy = 0.9972009352427297 eV
minimum distance =  2.68579228619611 Angstroms
sigma value = 25


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

Energy: 1.0095853870731062
Energy: 0.9332034540593638
Energy: 0.8639134919872702
Energy: 0.9332034540593638
Energy: 1.7944117297188278
Energy: 0.967981002916487
Energy: 0.9404023465067547
Energy: 0.967981002916487
Energy: 0.9345664248518752
Energy: 0.9324748582448299
Energy: 1.203106600632517
Energy: 0.9324748582448299
Energy: 1.2067272261610151
Energy: 0.967866454391761
Energy: 0.9401292996993849
Energy: 0.9678664543910437
Energy: 0.939616502238388
Energy: 0.9680066205496907
Energy: 0.8799408409355578
Energy: 0.9680066205504082
Energy: 0.8824792286059499
Energy: 0.9679530019649144
Energy: 0.9404761527746499
Energy: 0.9679530019655667
Energy: 0.9436107447197203
Energy: 0.9320528187088752
Energy: 1.207305329314392
Energy: 0.9320528187081579
Energy: 1.2012495469750213
Energy: 1.0065430652029512
Energy: 0.9357189976776147
Energy: 1.0065430652029512
Energy: 0.9401853012806032
Energy: 0.9679156839777622
Energy: 1.4941163659926777
Energy: 0.9679156839777622
Energy: 0.8819473250809133
Energy: 0.9328058172016356
Energy: 1.0105044048602123
Energy: 0.9328058172016356
Energy: 0.9395463556394229
Energy: 0.9322228412979959
Energy: 1.5393109800575242
Energy: 0.9322228412979959
Energy: 1.2870627012036202
Energy: 1.395825871042238
Energy: 0.9357503679918395
Energy: 1.3958258710121063
Energy: 0.9395874661510568
Energy: 0.9683256320165372
Energy: 1.2075206650582082
Energy: 0.9683256320165372
Energy: 1.3124006257577483
Energy: 1.3309081886658476
Energy: 0.9400794531743739
Energy: 1.3309081886658476
Energy: 0.9395516607670581
Energy: 0.9322113471040581
Energy: 0.8824597542255392
Energy: 0.9322113471040581
Energy: 1.2905219218041557
Energy: 1.3962661890126282
Energy: 0.9421605398812248
Energy: 1.3962661890133456
Energy: 0.9401813633476457
Energy: 1.0062620244800697
Energy: 0.8663837325769727
Energy: 1.0062620244815044
Energy: 1.26743701138143
Energy: 0.9677965282934804
Energy: 0.9410760720428235
Energy: 0.9677965282934804
Energy: 1.0141895166250723
Energy: 0.9322152151108954
Energy: 0.8822747098165893
Energy: 0.9322152151116129
Energy: 1.5339413376973037
Energy: 1.1016605944987967
Energy: 0.9422475423574241
Energy: 1.1016605944987967
Energy: 0.9405256100058126
Energy: 1.3945619911575624
Energy: 0.8571725026126704
Energy: 1.3945619911575624
Energy: 0.9303680522553741
Energy: 0.9677021632172589
Energy: 0.9411547242598656
Energy: 0.9677021632179762
Energy: 0.940181630289323
Energy: 1.3294414657838909
Energy: 1.31067466420311
Energy: 1.3294414657838909
Energy: 0.8819024707870187
Energy: 1.1017473022096813
Energy: 0.9420727616441665
Energy: 1.1017473022111162
Energy: 0.9347431175121698
Energy: 1.3947313588091041
Energy: 1.2888005584223223
Energy: 1.3947313588091041
Energy: 0.8812400330790423
Energy: 1.0069742292120958
Energy: 0.9399653421929789
Energy: 1.0069742292113784

minimum gb energy = 0.8571725026126704 eV
minimum distance =  2.69521172838615 Angstroms
sigma value = 41


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

Energy: 1.3709079740893229
Energy: 0.858808655612763
Energy: 0.7737693900653497
Energy: 0.858808655612763
Energy: 1.7807198446855517
Energy: 0.8338436666427471
Energy: 0.8157628136446502
Energy: 0.833843666642159
Energy: 0.8586295985736695
Energy: 0.8128896101695653
Energy: 0.7721630613802871
Energy: 0.8128896101690306
Energy: 1.3377689988410757
Energy: 0.8338902574008183
Energy: 0.8160153638800378
Energy: 0.833890257403171
Energy: 0.8122083543574832
Energy: 0.8853337068927221
Energy: 0.8000843762017923
Energy: 0.8853337068921339
Energy: 1.0538843417166541
Energy: 0.8333514351806108
Energy: 0.8157037809760754
Energy: 0.833351435181199
Energy: 0.8149706409058863
Energy: 0.8335496764926525
Energy: 1.1664609357002353
Energy: 0.8335496764908881
Energy: 0.780532669207197
Energy: 0.8575116060195392
Energy: 0.812869994423419
Energy: 0.8575116060201273
Energy: 0.8179266299160587
Energy: 0.8614748535808973
Energy: 1.371459967847517
Energy: 0.8614748535826617
Energy: 1.0551639150675889
Energy: 0.8117566284070474
Energy: 0.8594402856429627
Energy: 0.8117566284070474
Energy: 0.8150611343131982
Energy: 0.8338152391329994
Energy: 1.5638023646599675
Energy: 0.8338152391294704
Energy: 0.7808580362764439
Energy: 0.8575161433153367
Energy: 1.3678171604717402
Energy: 0.8575161433153367
Energy: 0.8178048194661884
Energy: 0.862375928313038
Energy: 1.5639405218674653
Energy: 0.8623759283124498
Energy: 1.1434064436016618
Energy: 0.9376225137269394
Energy: 0.8594034165487859
Energy: 0.9376225137263513
Energy: 0.8153836222768408
Energy: 0.8339577285372789
Energy: 1.3342686075840862
Energy: 0.8339577285378671
Energy: 1.1501725563586862
Energy: 0.8577079790951287
Energy: 0.8129581113610113
Energy: 0.8577079791427705
Energy: 0.817818197268352
Energy: 0.8608632610691163
Energy: 1.0687663136079775
Energy: 0.8608632610844087
Energy: 1.1360557849997643
Energy: 0.9385171571435681
Energy: 0.8159567701029063
Energy: 0.9385171572188001
Energy: 0.8152566149823287
Energy: 0.8575390189851532
Energy: 0.7808548170688787
Energy: 0.8575390189851532
Energy: 1.1682328067632373
Energy: 0.8578815773417008
Energy: 0.8211473732337389
Energy: 0.8578815773464061
Energy: 0.8620479181394003
Energy: 0.859311695778403
Energy: 0.773866573990484
Energy: 0.8593116955179515
Energy: 1.5650396513810494
Energy: 0.8841607652503402
Energy: 0.8162123843265561
Energy: 0.8841607652479874
Energy: 1.3630729180377796
Energy: 0.8574482116177652
Energy: 0.7962559855597742
Energy: 0.8574482116177652
Energy: 1.3769636209420573
Energy: 0.8594158220748828
Energy: 0.8211392125802117
Energy: 0.8594158220766474
Energy: 0.8621039299978902
Energy: 0.9356424644087031
Energy: 0.7698550554238585
Energy: 0.9356424644045861
Energy: 1.3299877914739235
Energy: 0.8845820665906095
Energy: 0.8159688052587829
Energy: 0.8845820665782579
Energy: 0.8152825629422412
Energy: 0.8576682585534771
Energy: 1.146864626944313
Energy: 0.857668258600477
Energy: 0.8105553740919279
Energy: 0.8612944974464857
Energy: 0.8212530174034736
Energy: 0.8612944974470738
Energy: 0.8180986301811856
Energy: 0.9366876661649891
Energy: 1.1333891548323114
Energy: 0.9366876661673418
Energy: 0.7929641880659258
Energy: 0.917259745155602
Energy: 0.8190942446011508
Energy: 0.917259744998668
Energy: 0.8214993169884132
Energy: 0.8575152729876964
Energy: 1.1652897546725152
Energy: 0.8575152729876964
Energy: 0.780426414061474
Energy: 0.8620281521576606
Energy: 0.8664745631865084
Energy: 0.8620281521558961

minimum gb energy = 0.7698550554238585 eV
minimum distance =  2.68469985917768 Angstroms
sigma value = 15


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

Energy: 1.2356137346773908
Energy: 0.7615676098233733
Energy: 0.7229185810517286
Energy: 0.7615676098233733
Energy: 1.7709478356475037
Energy: 0.7605816136071409
Energy: 0.7607985957069043
Energy: 0.7605816136066881
Energy: 0.7954963735247804
Energy: 0.7583206294126351
Energy: 1.4607649219925742
Energy: 0.7583206294120914
Energy: 1.3834655781392649
Energy: 0.7596397194810642
Energy: 0.7601203196732695
Energy: 0.7596397194780747
Energy: 0.7575717826060765
Energy: 1.101400449398873
Energy: 0.7319196419390323
Energy: 1.1014004494053051
Energy: 1.1889378028189015
Energy: 0.7601403461828297
Energy: 0.7603286121125642
Energy: 0.7601403440148502
Energy: 0.759846540085979
Energy: 0.7765314736973672
Energy: 1.0648019560802267
Energy: 0.7765314736929282
Energy: 0.9596386736421261
Energy: 0.7769560808968167
Energy: 0.7601602043743453
Energy: 0.7769560808988096
Energy: 0.7620443219429502
Energy: 0.7779944644317296
Energy: 1.2441312174485484
Energy: 0.7779944644317296
Energy: 0.7258951878530768
Energy: 0.7598336037492753
Energy: 0.7581810625998812
Energy: 0.7598336037462858
Energy: 0.7599145407636878
Energy: 0.7593920999820457
Energy: 1.4496339660992503
Energy: 0.759392099950157
Energy: 0.7245730787698368
Energy: 0.7582306975886881
Energy: 0.796279000980566
Energy: 0.7582306975866951
Energy: 0.7615104928736407
Energy: 0.7777524623816556
Energy: 1.6774621631503683
Energy: 0.7777524623772166
Energy: 0.7260922576254344
Energy: 0.7584922285572205
Energy: 1.2331450764860257
Energy: 0.7584922285576734
Energy: 0.7598089137851698
Energy: 0.7593989034796379
Energy: 1.580922235404305
Energy: 0.7593989034816309
Energy: 1.0347410342090921
Energy: 0.7577549257779982
Energy: 0.7963775760166264
Energy: 0.7577549257770017
Energy: 0.7618305178448797
Energy: 0.7769935838470141
Energy: 1.3792126545506667
Energy: 0.7769935838465611
Energy: 1.0310489970062184
Energy: 1.097880745270347
Energy: 0.7585168489411528
Energy: 1.0978807452733366
Energy: 0.7597980680731586
Energy: 0.759282863290004
Energy: 1.1849215519146923
Energy: 0.759282863290004
Energy: 1.021428690488376
Energy: 0.7598327119968411
Energy: 0.7604598024596544
Energy: 0.759832711990862
Energy: 0.7615657689114852
Energy: 0.7964856570096492
Energy: 0.9588899154289328
Energy: 0.7964856570106457
Energy: 1.0423848349111928
Energy: 0.777257474291072
Energy: 0.7639838472391817
Energy: 0.7772574742920685
Energy: 0.7594875849424709
Energy: 0.7588734654963323
Energy: 0.7278638453788835
Energy: 0.7588734654983252
Energy: 1.445296159908514
Energy: 0.758847660330785
Energy: 0.7604438482461683
Energy: 0.758847660398005
Energy: 0.7976840504592903
Energy: 0.7963310586601032
Energy: 0.7173073935145803
Energy: 0.7963310585634406
Energy: 1.40997078836633
Energy: 0.7764247446462259
Energy: 0.7640623538929947
Energy: 0.7764247446412433
Energy: 1.230961330237429
Energy: 0.7577422448779416
Energy: 0.7259603837149908
Energy: 0.7577422448779416
Energy: 1.576129190882174
Energy: 0.7592994460050028
Energy: 0.7605150933485796
Energy: 0.759299446000473
Energy: 0.7980089993026118
Energy: 1.4171761826037064
Energy: 0.7050399445449429
Energy: 1.4171761826037064
Energy: 1.2147940418738965
Energy: 0.7760657953348191
Energy: 0.7641219658255303
Energy: 0.7760657953363592
Energy: 0.759590537458549
Energy: 1.3863954047241676
Energy: 1.0292867509829546
Energy: 1.386395404723171
Energy: 1.1821219087388843
Energy: 0.7589058342870526
Energy: 0.7604226312827886
Energy: 0.7589058342865996
Energy: 0.7618093782708748
Energy: 1.417325246147076
Energy: 1.0197719443094053
Energy: 1.417325246147076
Energy: 0.7535734753462915
Energy: 0.7966188713456195
Energy: 0.7642635132542578
Energy: 0.7966188713456195
Energy: 0.7472549161686696
Energy: 1.3854881732550328
Energy: 1.0399097218043614
Energy: 1.3854881732555764
Energy: 0.7227288964687456
Energy: 0.7591950287449818
Energy: 0.7626342523724627
Energy: 0.7591950287469749
Energy: 0.7621793517878258
Energy: 1.4163987215615617
Energy: 1.4409106863268306
Energy: 1.4163987215615617

minimum gb energy = 0.7050399445449429 eV
minimum distance =  2.57494907459179 Angstroms
sigma value = 85


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

Energy: 1.1832594602721636
Energy: 0.748508499749493
Energy: 0.8906414607012968
Energy: 0.748508499749493
Energy: 1.752720169995207
Energy: 0.7461303931391848
Energy: 0.6923323826779253
Energy: 0.7461303931383205
Energy: 1.1361093926968755
Energy: 0.7454644354834005
Energy: 0.8904520822602026
Energy: 0.7454644354834005
Energy: 1.3885615052617013
Energy: 0.7458910008020102
Energy: 0.6922417871398868
Energy: 0.7458910008024423
Energy: 0.7455473758652628
Energy: 0.6906209974804259
Energy: 0.6063368755065724
Energy: 0.6906209974799936
Energy: 1.2128166976173596
Energy: 0.7454912802546776
Energy: 0.692521810587777
Energy: 0.7454912802555419
Energy: 0.6908366081700265
Energy: 0.7725078969810261
Energy: 0.6621448211772196
Energy: 0.7725078969810261
Energy: 1.0350887758787048
Energy: 0.744405720637688
Energy: 0.6924466137984578
Energy: 0.7444057206636164
Energy: 0.6921063029609676
Energy: 0.7171370459852433
Energy: 0.8743002767591468
Energy: 0.7171370459856755
Energy: 0.8214705936317817
Energy: 0.7729078821842563
Energy: 0.6910466463892684
Energy: 0.7729078821842563
Energy: 0.6931959200068111
Energy: 0.7457214019936957
Energy: 1.308370172471852
Energy: 0.7457214019932636
Energy: 0.604998125915265
Energy: 0.7459138327014169
Energy: 0.7459099526324399
Energy: 0.745913832692774
Energy: 0.6920468627825852
Energy: 0.7171049822354078
Energy: 1.463480416147835
Energy: 0.7171049822354078
Energy: 0.5961403523431826
Energy: 0.7456538759211495
Energy: 1.1335191146436692
Energy: 0.7456538759207174
Energy: 0.6933618622440619
Energy: 0.7464355397713834
Energy: 1.5721879199035262
Energy: 0.7464355397670621
Energy: 0.6049875883813761
Energy: 0.7445171963464489
Energy: 1.1816856453259463
Energy: 0.7445171963464489
Energy: 0.6921747149730125
Energy: 0.7175890397560898
Energy: 1.5721598098500127
Energy: 0.7175890397560898
Energy: 0.8838150058119789
Energy: 0.7456959979104215
Energy: 1.1336149815558871
Energy: 0.7456959979095573
Energy: 0.6933640976258364
Energy: 0.7459434427416028
Energy: 1.388647520724932
Energy: 0.7459434427459243
Energy: 0.8819276283586011
Energy: 1.0529351274483412
Energy: 0.7459123808198557
Energy: 1.052935127450934
Energy: 0.6922417587814215
Energy: 0.7178277534011864
Energy: 1.2125002284586734
Energy: 0.7178277534011864
Energy: 0.8757258445235868
Energy: 0.745706139736719
Energy: 0.6913229557302143
Energy: 0.7457061397354225
Energy: 0.6932971062074308
Energy: 0.7448730539743199
Energy: 1.0350685970226163
Energy: 0.7448730539725914
Energy: 0.9125237152006226
Energy: 0.7726116621708581
Energy: 0.6924626503416961
Energy: 0.7726116621725867
Energy: 0.6924003633684327
Energy: 0.7444896694923051
Energy: 0.8212920205673697
Energy: 0.744489669491873
Energy: 1.2774398099291229
Energy: 0.7454692284387275
Energy: 0.6948936921445354
Energy: 0.7454692284521239
Energy: 0.7474756717841813
Energy: 0.7446130064795861
Energy: 0.6051691811588255
Energy: 0.7446130064774253
Energy: 1.3127563005291198
Energy: 0.7723751133462043
Energy: 0.6924432998305328
Energy: 0.7723751133475009
Energy: 1.1325524659011699
Energy: 0.7446469174437101
Energy: 0.5972928623751829
Energy: 0.7446469174432779
Energy: 1.5721510628920923
Energy: 0.7454323533060938
Energy: 0.6949782443209752
Energy: 0.745432356157411
Energy: 1.180425298343913
Energy: 0.7445980047594399
Energy: 0.6052310763608072
Energy: 0.7445980047590078
Energy: 1.4283813030962333
Energy: 0.7722947543306148
Energy: 0.692761326910011
Energy: 0.7722947543267255
Energy: 1.1325401707378775
Energy: 0.7446958500828402
Energy: 0.5968918271606135
Energy: 0.7446958500828402
Energy: 1.3894336142787878
Energy: 0.7453487815010291
Energy: 0.6951109698600949
Energy: 0.745348781500597
Energy: 0.7475546894544363
Energy: 0.7443888271595879
Energy: 0.8822699761430931
Energy: 0.7443888239260207
Energy: 1.0751998869445105
Energy: 0.7724026213318557
Energy: 0.6925563490608327
Energy: 0.7724026213296951
Energy: 0.6925460447436697
Energy: 0.7442432646805365
Energy: 0.8762273122997849
Energy: 0.7442432646814008
Energy: 1.0348512213302348
Energy: 0.7454459876951787
Energy: 0.6951412760798802
Energy: 0.7454459876969073
Energy: 0.6936311939554601
Energy: 1.0529249555211395
Energy: 0.9126621056514886
Energy: 1.052924955522868
Energy: 0.6397530533685271
Energy: 0.8010386380461586
Energy: 0.6940659431468237
Energy: 0.8010386380608122
Energy: 0.6965264440994631
Energy: 0.7443207317338405
Energy: 1.2773939806214374
Energy: 0.7443207317360011
Energy: 0.6051581256958996
Energy: 0.7460164868668907
Energy: 0.7490173904684985
Energy: 0.7460164868621372
Energy: 0.6937414207809777
Energy: 1.0529920168356517
Energy: 1.3128043514881864
Energy: 1.0529920168356517

minimum gb energy = 0.5961403523431826 eV
minimum distance =  2.62103558588653 Angstroms
sigma value = 113


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

Energy: 0.02418863558767461
Energy: 0.02503735391652398
Energy: 0.9578486895265377
Energy: 0.025037353915527354
Energy: 0.9571334141719642
Energy: -0.6626786825808573
Energy: -0.6599549674451926
Energy: -0.6626786825801929
Energy: 0.02418863558767461
Energy: 0.02503735391585956
Energy: 0.9577735126857225
Energy: 0.025037353915527354
Energy: 0.9571334141722964
Energy: -0.6626786825814849
Energy: -0.6599549674448603
Energy: -0.6626786825811526
Energy: 0.02418863558767461
Energy: 0.025037353916191774
Energy: 0.9577700254189193
Energy: 0.02503735391585956
Energy: 0.9571334141719642
Energy: -0.6626786825805251
Energy: -0.6599549674458199
Energy: -0.6626786825814849

minimum gb energy = -0.6626786825814849 eV
minimum distance =  2.84318037221742 Angstroms
sigma value = 1