Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6111526265740403
cohesive_energy=4.249969113925499
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.0201776169424856
Energy: 1.7780365859220315
Energy: 1.8247411917748795
Energy: 1.7797520769036175
Energy: 0.0201776169424856
Energy: 1.7780365859225165
Energy: 0.7426001528601818
Energy: 0.7418916616115279
Energy: 0.020809678127144224
Energy: 0.2912942136599569
Energy: 0.020740563874243896
Energy: 0.7418916616090188
Energy: 0.020809678127144224
Energy: 0.2912942136599569
Energy: 0.0201776169424856
Energy: 1.7780365859217748
Energy: 1.8247411917748795
Energy: 1.7797520769033894
Energy: 0.0201776169424856
Energy: 1.778036585922773
Energy: 0.7426001528601818
Energy: 0.7418916616115279
Energy: 0.020809678127144224
Energy: 0.2912942136599569
Energy: 0.020740563874243896
Energy: 0.7418916616090188
Energy: 0.020809678127144224
Energy: 0.2912942136599569
Energy: 0.0201776169424856
Energy: 1.7780365859215184
Energy: 0.7426001528576727
Energy: 1.7797520769033894
Energy: 0.0201776169424856
Energy: 1.7780365859220315
Energy: 0.7426001528576727
Energy: 0.7418916616115279
Energy: 0.020809678127144224
Energy: 0.2912942136599569
Energy: 0.020740563874243896
Energy: 0.7418916616090188
Energy: 0.020809678127144224
Energy: 0.2912942136599569

minimum gb energy = 0.0201776169424856 eV
minimum distance =  2.5320044382171 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.5747027910913618
Energy: 1.5370292188495138
Energy: 1.487549082461639
Energy: 1.537435906831893
Energy: 1.5747027910882965
Energy: 1.537029218852579
Energy: 1.4875490824585738
Energy: 1.429483752664775
Energy: 1.4518687841711206
Energy: 1.5273315501775495
Energy: 1.4723350909959216
Energy: 1.429483752664775
Energy: 1.4518687841588596
Energy: 1.5273315501836802
Energy: 1.4552265934611786
Energy: 1.4123550807993126
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Energy: 1.4293977704964607
Energy: 1.4552265934611786
Energy: 1.4123550808023777
Energy: 1.5372763188823964
Energy: 1.5915964874848494
Energy: 1.4855374310380427
Energy: 1.5749931388213039
Energy: 1.441342242354431
Energy: 1.5915964874817838
Energy: 1.4855374310411082
Energy: 1.5749931388243694
Energy: 1.4259985601717162
Energy: 1.3778877468010107
Energy: 1.4992776194029362
Energy: 1.4814704858498233
Energy: 1.4259985601655853
Energy: 1.3778877468040762
Energy: 1.4992776195254915
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Energy: 1.4867111115699043
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Energy: 1.5027869476123854
Energy: 1.4867111115699043
Energy: 1.4817428837809192
Energy: 1.401008369183376
Energy: 1.4790094362975574
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Energy: 1.4010083691772455
Energy: 1.4790094363006225
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Energy: 1.4087272682721454
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Energy: 1.4013957700865973
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Energy: 1.4013957700927275
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Energy: 1.641834264145176
Energy: 1.5411441989213408
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Energy: 1.426101569529925
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Energy: 1.6861178738575224
Energy: 1.5022272632750593
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Energy: 1.4906774027075125
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Energy: 1.3965809562562719
Energy: 1.6009888612934067
Energy: 1.5010832431083492
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Energy: 1.3965809562532068
Energy: 1.6009888612934067
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Energy: 1.4175773640342872
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Energy: 1.491508957726886
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Energy: 1.4213292447821535
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Energy: 1.5053825661102107
Energy: 1.4419315858513075
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Energy: 1.6784749105922547
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Energy: 1.516927446052344
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Energy: 1.466218310608913
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Energy: 1.4299412974753838
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Energy: 1.466218310608913
Energy: 1.5743826566115215
Energy: 1.4758360482556463
Energy: 1.4504852614139678
Energy: 1.5136720151349585
Energy: 1.5016590819959517
Energy: 1.4758360482525812
Energy: 1.4504852614200987
Energy: 1.5136720151410892
Energy: 1.550693422693605
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Energy: 1.5571594361433907
Energy: 1.4439834078391236
Energy: 1.5506934226997358
Energy: 1.4608497624355066
Energy: 1.5571594361372603
Energy: 1.5447667413139388
Energy: 1.6114054794289596
Energy: 1.5158201322485116
Energy: 1.620495185859521
Energy: 1.544766741317004
Energy: 1.6114054794289596
Energy: 1.5158201322485116
Energy: 1.4881097574887354
Energy: 1.478865042206575
Energy: 1.5083378983756373
Energy: 1.4481418871859477
Energy: 1.4881097574887354
Energy: 1.4788650422004443
Energy: 1.508337898363376
Energy: 1.406435077050504
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Energy: 1.6141873131518025
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Energy: 1.4940235090679248
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Energy: 1.5013396407849167
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Energy: 1.4923888149380156
Energy: 1.5676481227902894
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Energy: 1.4923888149472115
Energy: 1.4418953734863773
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Energy: 1.696853299318657
Energy: 1.4060506433613098
Energy: 1.4418953734894429
Energy: 1.4745884200833412
Energy: 1.6968532993125263
Energy: 1.4450536338029167
Energy: 1.4076655159657467
Energy: 1.6784768493974094
Energy: 1.4252350002832885
Energy: 1.4450536337998519
Energy: 1.4076655159657467
Energy: 1.6784768493943443
Energy: 1.4435335890541168
Energy: 1.4237801855531858
Energy: 1.500654771678153
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Energy: 1.500654771678153
Energy: 1.4077526026444056
Energy: 1.4693527043393222
Energy: 1.5113313589388464
Energy: 1.3975768958763117
Energy: 1.4077526026444056
Energy: 1.4693527043423875
Energy: 1.5113313589296504
Energy: 1.4101297003310815
Energy: 1.4400383655865374
Energy: 1.6177085918620187
Energy: 1.4385944081227782
Energy: 1.4101297003341466
Energy: 1.4400383655804068
Energy: 1.617708591865084
Energy: 1.4064445294401984
Energy: 1.5231339674944113
Energy: 1.5603661844917347
Energy: 1.4665707261974374
Energy: 1.4064445294493941
Energy: 1.523133967491346
Energy: 1.5603661844978651
Energy: 1.4911264988285067
Energy: 1.52652576554402
Energy: 1.552460224104233
Energy: 1.4880825417763155
Energy: 1.491126498819311
Energy: 1.52652576554402
Energy: 1.552460224104233
Energy: 1.4974445475932798
Energy: 1.5134899914487252
Energy: 1.5676337316451678
Energy: 1.486773152312896
Energy: 1.497444547596345
Energy: 1.51348999144566
Energy: 1.567633731648233
Energy: 1.4757533487788004
Energy: 1.4522860393315173
Energy: 1.4740000682361678
Energy: 1.5010342529254113
Energy: 1.475753348784931
Energy: 1.452286039325387
Energy: 1.4740000682361678
Energy: 1.5072929171739595
Energy: 1.4630324796944438
Energy: 1.5448562349821828
Energy: 1.4147313641557049
Energy: 1.5072929171770246
Energy: 1.4630324796883132
Energy: 1.5448562349791177
Energy: 1.6433087923932201
Energy: 1.522076608062591
Energy: 1.5173530321916127
Energy: 1.564847932641358
Energy: 1.643308792396285
Energy: 1.5220766080656565
Energy: 1.5173530321916127
Energy: 1.4973781333686462
Energy: 1.5035704021620764
Energy: 1.4890312258147398
Energy: 1.503764489259766
Energy: 1.4973781333747769
Energy: 1.503570402171272
Energy: 1.489031225817805
Energy: 1.4039153081593558
Energy: 1.4265276753242735
Energy: 1.671426543920129
Energy: 1.4455155877991013
Energy: 1.403915308162421
Energy: 1.4265276753212084
Energy: 1.6714265439139984
Energy: 1.430675668657663
Energy: 1.469363324066465
Energy: 1.5698669931287828
Energy: 1.5503569889319557
Energy: 1.4306756686545976
Energy: 1.4693633240633999
Energy: 1.5698669931257176
Energy: 1.401674832467645
Energy: 1.4661254222340177
Energy: 1.5294553516652472
Energy: 1.4262445160426358
Energy: 1.4016748324737753
Energy: 1.4661254222309523
Energy: 1.5294553516652472

minimum gb energy = 1.3778877468010107 eV
minimum distance =  2.25327271156574 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4157090401832337
Energy: 1.5222025326477682
Energy: 1.5337344861616224
Energy: 1.5214241648032396
Energy: 1.4157090401797545
Energy: 1.5222025326512476
Energy: 1.5453272621366998
Energy: 1.409178172597265
Energy: 1.576299898116742
Energy: 1.5964468937360987
Energy: 1.511674236677763
Energy: 1.409178172590306
Energy: 1.5762998981306595
Energy: 1.5964468937430576
Energy: 1.4379432020988745
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Energy: 1.527162287972583
Energy: 1.4377825593928832
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Energy: 1.5234066514868996
Energy: 1.5154259468512952
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Energy: 1.519188965716758
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Energy: 1.410908185657253
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Energy: 1.3907597250730317
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Energy: 1.7196784768163598
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Energy: 1.3907597250660733
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Energy: 1.4919757322239278
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Energy: 1.4906833088696834
Energy: 1.538078557019493
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Energy: 1.4652006312371766
Energy: 1.6109836912886202
Energy: 1.4084342690140956
Energy: 1.4919757322204483
Energy: 1.6703556010070866
Energy: 1.5765929372389902
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Energy: 1.4919757322204483
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Energy: 1.4157090401797545
Energy: 1.5222025326512476
Energy: 1.564377981446986
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Energy: 1.409178172590306
Energy: 1.5762998981202212
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Energy: 1.409178172590306
Energy: 1.57629989812718
Energy: 1.5906121592482503
Energy: 1.4379432020988745
Energy: 1.5171757527116632
Energy: 1.5041849723136678
Energy: 1.4652757570801667
Energy: 1.4379432020988745
Energy: 1.5171757527081837
Energy: 1.5041849723206266
Energy: 1.4726919505864475
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Energy: 1.4377825603110037
Energy: 1.4726919505864475
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Energy: 1.4641254580243008
Energy: 1.5191889657202375
Energy: 1.459051313320872
Energy: 1.4924907037052084
Energy: 1.46412545802778
Energy: 1.519188965716758
Energy: 1.459051313327831
Energy: 1.4109081856537737
Energy: 1.4281736161903158
Energy: 1.6239595524174901
Energy: 1.5093662177236888
Energy: 1.4109081856502943
Energy: 1.4281736161937952
Energy: 1.623959552427865
Energy: 1.3907597250695527
Energy: 1.4810351703242557
Energy: 1.7196477952349696
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Energy: 1.3907597250695527
Energy: 1.4810351703242557
Energy: 1.7196477952314901
Energy: 1.3910245597235213
Energy: 1.4943850398140912
Energy: 1.7200923293856767
Energy: 1.4811628253576272
Energy: 1.3910245597235213
Energy: 1.4943850398140912
Energy: 1.7200923293856767
Energy: 1.4119831249143864
Energy: 1.5048876748919198
Energy: 1.5371117355843362
Energy: 1.4447776945174264
Energy: 1.4119831249247612
Energy: 1.5048876748884406
Energy: 1.5371117355738981
Energy: 1.4641112711025115
Energy: 1.4906833088731628
Energy: 1.4825134719551434
Energy: 1.5192401417197943
Energy: 1.4641112711025115
Energy: 1.4906833088696834
Energy: 1.4825134719412894
Energy: 1.4727686110672682
Energy: 1.435914353896258
Energy: 1.5570183992261404
Energy: 1.5151359435858933
Energy: 1.4727686110707474
Energy: 1.4359143538997372
Energy: 1.5570183992261404
Energy: 1.437650775751561
Energy: 1.4652006312406562
Energy: 1.5851164473449741
Energy: 1.5250308749735086
Energy: 1.4376507757480814
Energy: 1.4652006312371766
Energy: 1.5851164473345358
Energy: 1.4084342690140956
Energy: 1.4919757322204483
Energy: 1.6703556010070866
Energy: 1.5765929372424696
Energy: 1.408434269007137
Energy: 1.4919757322169693
Energy: 1.6703556010070866
Energy: 1.4157090401797545
Energy: 1.5222025326547268
Energy: 1.5643779814504655
Energy: 1.5214241647893219
Energy: 1.4157090401797545
Energy: 1.5222025326512476
Energy: 1.564377981446986
Energy: 1.409178172597265
Energy: 1.5762998981202212
Energy: 1.5906121592517295
Energy: 1.5116742366812426
Energy: 1.409178172590306
Energy: 1.57629989812718
Energy: 1.5906121592482503

minimum gb energy = 1.3907597250660733 eV
minimum distance =  2.27796823178644 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6464524765963597
Energy: 1.561170211730054
Energy: 1.669020810622993
Energy: 1.5576026955750417
Energy: 1.6464524765963597
Energy: 1.561170211730054
Energy: 1.5632693445994639
Energy: 1.5918233648090205
Energy: 1.4876082232872931
Energy: 1.5090670677140312
Energy: 1.4995629047437822
Energy: 1.5918233648118334
Energy: 1.4876082232844807
Energy: 1.5090670677148346
Energy: 1.61127986409226
Energy: 1.554312239670403
Energy: 1.5971635093493928
Energy: 1.533580051789573
Energy: 1.6112798640918586
Energy: 1.5543122396728137
Energy: 1.5410307163295214
Energy: 1.5326830995774845
Energy: 1.544737227997712
Energy: 1.7151888313485613
Energy: 1.4558354164032965
Energy: 1.532683099574672
Energy: 1.5447372279993192
Energy: 1.7151888313493648
Energy: 1.5872146888920098
Energy: 1.6392824545060027
Energy: 1.6710129133230616
Energy: 1.5108574354077962
Energy: 1.587214688893617
Energy: 1.6392824545072084
Energy: 1.6861952154774995
Energy: 1.5458186041195434
Energy: 1.5156798237457094
Energy: 1.6333126286002704
Energy: 1.4330061262208411
Energy: 1.5458186041167312
Energy: 1.515679823743299
Energy: 1.6333126286006723
Energy: 1.5522802110483518
Energy: 1.6557748300339452
Energy: 1.6014001939055682
Energy: 1.4914940055875059
Energy: 1.5522802110471465
Energy: 1.6557748300347486
Energy: 1.5710512229148597
Energy: 1.5549214330807537
Energy: 1.5647297683414356
Energy: 1.695639798590661
Energy: 1.453778555629155
Energy: 1.5549214330799501
Energy: 1.5647297683430423
Energy: 1.6956397985926701
Energy: 1.5591036996584866
Energy: 1.4485865966376557
Energy: 1.6284367080313555
Energy: 1.5378080126301819
Energy: 1.5591036996584866
Energy: 1.4485865966388607
Energy: 1.67391550203025
Energy: 1.5691819585493694
Energy: 1.5196722062850962
Energy: 1.648631098798891
Energy: 1.6471004538300675
Energy: 1.5691819585505749
Energy: 1.519672206285498
Energy: 1.6486310987980877
Energy: 1.5869340409236334
Energy: 1.4261351472719501
Energy: 1.6316832247627098
Energy: 1.4812074289340835
Energy: 1.586934040920821
Energy: 1.426135147272352
Energy: 1.6316832247611028
Energy: 1.589843686891367
Energy: 1.5442574740827328
Energy: 1.6214282923078736
Energy: 1.6504259184331622
Energy: 1.5898436868905634
Energy: 1.54425747408434
Energy: 1.6214282923066683
Energy: 1.5930702812427262
Energy: 1.465496786082583
Energy: 1.6145978312780953
Energy: 1.5327837488661868
Energy: 1.5930702812435296
Energy: 1.4654967860817791
Energy: 1.6145978312760862
Energy: 1.4890330527014712
Energy: 1.4891293154971537
Energy: 1.6869413734807848
Energy: 1.5424652951376077
Energy: 1.48903305270348
Energy: 1.489129315496752
Energy: 1.686941373480383
Energy: 1.577804219349657
Energy: 1.5336057116834438
Energy: 1.5974436785957797
Energy: 1.4187332879468397
Energy: 1.577804219349657
Energy: 1.5336057116822384
Energy: 1.5974436785965833
Energy: 1.5898892124022024
Energy: 1.6454015267416844
Energy: 1.6085579893122026
Energy: 1.5447060253352902
Energy: 1.589889212398988
Energy: 1.6454015267428896
Energy: 1.608557989311801
Energy: 1.5870791280255867
Energy: 1.4820450283903337
Energy: 1.622373615905409
Energy: 1.425640803283688
Energy: 1.5870791280251848
Energy: 1.4820450283887265
Energy: 1.6223736159042035
Energy: 1.5674074028006315
Energy: 1.6478499609418842
Energy: 1.6628448048653324
Energy: 1.519497688763219
Energy: 1.5674074028018365
Energy: 1.6478499609430897
Energy: 1.6628448048649307
Energy: 1.5623618120884633
Energy: 1.5378643636342921
Energy: 1.6293740717216962
Energy: 1.4486629030926494
Energy: 1.5623618120884633
Energy: 1.5378643636322835
Energy: 1.6293740717241072
Energy: 1.5550231099899408
Energy: 1.456539278729511
Energy: 1.6959399010225376
Energy: 1.5648136770994172
Energy: 1.5550231099923513
Energy: 1.4565392787299127
Energy: 1.6959399010221359
Energy: 1.575469669069686
Energy: 1.4913570101784739
Energy: 1.7601065488017826
Energy: 1.6675467533488366
Energy: 1.575469669069686
Energy: 1.4913570101792772
Energy: 1.7601065488021843
Energy: 1.5456328352322193
Energy: 1.4329377153926524
Energy: 1.6333035536410578
Energy: 1.5175785780232138
Energy: 1.5456328352298088
Energy: 1.4329377153930543
Energy: 1.63330355364146
Energy: 1.588014470916567
Energy: 1.5192520896345967
Energy: 1.5920147174409205
Energy: 1.6272505853727322
Energy: 1.5880144709177724
Energy: 1.5192520896329897
Energy: 1.5920147174401171
Energy: 1.5242140250194118
Energy: 1.4568361231048974
Energy: 1.712810986166302
Energy: 1.5446807553117743
Energy: 1.5242140250194118
Energy: 1.4568361231028883
Energy: 1.7128109861671053
Energy: 1.611183097215696
Energy: 1.5334607753712473
Energy: 1.6607066598270799
Energy: 1.5543582829687024
Energy: 1.6111830972181067
Energy: 1.5334607753716492
Energy: 1.660706659826276
Energy: 1.5919389796643377
Energy: 1.530886138964415
Energy: 1.5134750207251
Energy: 1.492067282743484
Energy: 1.591938979663936
Energy: 1.5308861389640134
Energy: 1.5134750207234928
Energy: 1.646452476595958
Energy: 1.5611702117308577
Energy: 1.6001599579473946
Energy: 1.5576026955774522
Energy: 1.646452476595958
Energy: 1.5611702117288488
Energy: 1.6001599579477963
Energy: 1.5918233648110296
Energy: 1.487608223288097
Energy: 1.5090670677140312
Energy: 1.4995629047417736
Energy: 1.5918233648098241
Energy: 1.4876082232893022
Energy: 1.5090670677156384
Energy: 1.6112798640934658
Energy: 1.5543122396728137
Energy: 1.5449190184011772
Energy: 1.5335800517891713
Energy: 1.6112798640926622
Energy: 1.5543122396716083
Energy: 1.5449190183979629
Energy: 1.5326830995742702
Energy: 1.5447372279989176
Energy: 1.715188831347356
Energy: 1.4558354164049034
Energy: 1.532683099575074
Energy: 1.5447372280013283
Energy: 1.7151888313513737
Energy: 1.587214688894822
Energy: 1.63928245450761
Energy: 1.7016223429552313
Energy: 1.5108574343339454
Energy: 1.587214688891206
Energy: 1.6392824545056013
Energy: 1.7016223429552313
Energy: 1.5458186041175346
Energy: 1.5156798237445044
Energy: 1.6333126286006723
Energy: 1.433006126219234
Energy: 1.545818604119945
Energy: 1.5156798237445044
Energy: 1.633312628599467
Energy: 1.5522802110483518
Energy: 1.6557748300351505
Energy: 1.5928198272951886
Energy: 1.4914940055879076
Energy: 1.5522802110455394
Energy: 1.65577483003274
Energy: 1.5928198272963936
Energy: 1.5549214330791465
Energy: 1.5647297683406318
Energy: 1.695639798591063
Energy: 1.4537785556303602
Energy: 1.5549214330799501
Energy: 1.5647297683418373
Energy: 1.6956397985914646
Energy: 1.559103699658888
Energy: 1.4485865966368519
Energy: 1.6284367080285431
Energy: 1.5378080126301819
Energy: 1.5591036996600935
Energy: 1.448586596638459
Energy: 1.628436708032159
Energy: 1.5691819585505749
Energy: 1.5196722062867034
Energy: 1.6486310987968822
Energy: 1.6471004538296659
Energy: 1.5691819585509765
Energy: 1.519672206285498
Energy: 1.648631098797284

minimum gb energy = 1.4187332879468397 eV
minimum distance =  2.24688412372776 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.4837349612893957
Energy: 1.6057588184744889
Energy: 1.5755084048291157
Energy: 1.6061075953887318
Energy: 1.4837349612889217
Energy: 1.6057588184730665
Energy: 1.5284088740592532
Energy: 1.497948464333781
Energy: 1.6090153318287488
Energy: 1.3628067749785513
Energy: 1.6106056411638916
Energy: 1.497948464334255
Energy: 1.6090153318254294
Energy: 1.362806774980448
Energy: 1.4836427992547145
Energy: 1.4368818944059394
Energy: 1.6434129458337976
Energy: 1.3990420686926688
Energy: 1.4836427992547145
Energy: 1.4368818944049908
Energy: 1.6434129458337976
Energy: 1.4690988795198927
Energy: 1.545163038307439
Energy: 1.3631788458294172
Energy: 1.4096112939856296
Energy: 1.469098879523686
Energy: 1.545163038301749
Energy: 1.363178845827995
Energy: 1.6052644075550713
Energy: 1.5695619535814593
Energy: 1.6633217088647216
Energy: 1.4027973210268092
Energy: 1.605264407554123
Energy: 1.5695619535866754
Energy: 1.6633217088651957
Energy: 1.471711845486791
Energy: 1.3988787105905973
Energy: 1.8070251312627603
Energy: 1.5512943470441276
Energy: 1.4717118454829978
Energy: 1.398878710591546
Energy: 1.8070251312599153
Energy: 1.726752080833771
Energy: 1.4651267990894565
Energy: 1.513522093826095
Energy: 1.7859951901076123
Energy: 1.7267520808318746
Energy: 1.4651267990875598
Energy: 1.3737659786228391
Energy: 1.970084987156712
Energy: 1.3786044153885137
Energy: 1.8205996348957563
Energy: 1.391535305546662
Energy: 1.9700849871586088
Energy: 1.3786044153842463
Energy: 1.8205996348995495
Energy: 1.7267800636444337
Energy: 1.8049802090009854
Energy: 1.5272468868969975
Energy: 1.4621721036888362
Energy: 1.7267800636453823
Energy: 1.8049802090047788
Energy: 1.4661435836350813
Energy: 1.4721114765512784
Energy: 1.5403962681371117
Energy: 1.8217282376155506
Energy: 1.4144036520405734
Energy: 1.4721114765602443
Energy: 1.540396268141379
Energy: 1.8217282376202923
Energy: 1.60504776389774
Energy: 1.397995200597906
Energy: 1.6690095300271304
Energy: 1.5841356012031516
Energy: 1.6050477638939467
Energy: 1.3979952006021734
Energy: 1.6690095300271304
Energy: 1.4719509460457185
Energy: 1.428632411217392
Energy: 1.3625046385372102
Energy: 1.545361381115378
Energy: 1.471950946041451
Energy: 1.4286324112159698
Energy: 1.3625046385386326
Energy: 1.4837748543597036
Energy: 1.4013289623558507
Energy: 1.638165016087735
Energy: 1.4739982578451918
Energy: 1.483774854365868
Energy: 1.4013289623553769
Energy: 1.6381650160867864
Energy: 1.497893718269501
Energy: 1.6111396909694706
Energy: 1.3627257214837323
Energy: 1.5902949387389442
Energy: 1.4978937182723457
Energy: 1.6111396909689966
Energy: 1.3627257214841633
Energy: 1.4837349612903443
Energy: 1.605758818475437
Energy: 1.5734113044953533
Energy: 1.6061075953873523
Energy: 1.4837349612884476
Energy: 1.6057588184725924
Energy: 1.5755084048319608
Energy: 1.4979484643389966
Energy: 1.6090153318287488
Energy: 1.3628067749785513
Energy: 1.6106056411672105
Energy: 1.4979484643399452
Energy: 1.6090153318249554
Energy: 1.362806774980448
Energy: 1.4836427992528178
Energy: 1.4368818944045167
Energy: 1.6434129458385391
Energy: 1.3990420686945657
Energy: 1.483642799255189
Energy: 1.4368818944068875
Energy: 1.6434129458418585
Energy: 1.4690988795213153
Energy: 1.5451630383055421
Energy: 1.363178845828943
Energy: 1.409611293984681
Energy: 1.4690988795222635
Energy: 1.5451630383041195
Energy: 1.3631788458275205
Energy: 1.6052644075560196
Energy: 1.5695619535819338
Energy: 1.6633217088642476
Energy: 1.4027973210268092
Energy: 1.6052644075574418
Energy: 1.5695619535871494
Energy: 1.6633217088670926
Energy: 1.471711845483472
Energy: 1.3988787106104692
Energy: 1.807025131262286
Energy: 1.5512943470441276
Energy: 1.4717118454787304
Energy: 1.3988787106090466
Energy: 1.8070251312608638
Energy: 1.7267520808342454
Energy: 1.4651267990832921
Energy: 1.4376708611736786
Energy: 1.7859951901080864
Energy: 1.7267520808314005
Energy: 1.4651267990861374
Energy: 1.437670861172256
Energy: 1.9700849871571864
Energy: 1.3786044153842463
Energy: 1.8205996348948077
Energy: 1.391535305547136
Energy: 1.9700849871571864
Energy: 1.3786044153875656
Energy: 1.8205996349000237
Energy: 1.7267800636444337
Energy: 1.8049802090028824
Energy: 1.382929663359101
Energy: 1.4621721036888362
Energy: 1.7267800636463304
Energy: 1.8049802090038303
Energy: 1.382929663359101
Energy: 1.4721114765550287
Energy: 1.5403962681347405
Energy: 1.8217282376193438
Energy: 1.41440365204247
Energy: 1.472111476562141
Energy: 1.5403962681342664
Energy: 1.8217282376212407
Energy: 1.6050477638944205
Energy: 1.397995200598854
Energy: 1.7338060653616079
Energy: 1.5841356012041001
Energy: 1.6050477638934724
Energy: 1.3979952006007508
Energy: 1.7338060653620821
Energy: 1.47195094604477
Energy: 1.4286324112150215
Energy: 1.3625046385376844
Energy: 1.5453613811125326
Energy: 1.471950946041451
Energy: 1.428632411217866
Energy: 1.3625046385391066
Energy: 1.4837748543592295
Energy: 1.4013289623553769
Energy: 1.8105119883193104
Energy: 1.4739982578466144
Energy: 1.483774854365868
Energy: 1.4013289623572733
Energy: 1.8105119883193104
Energy: 1.497893718267604
Energy: 1.6111396909680482
Energy: 1.3627257214841633
Energy: 1.5902949387375218
Energy: 1.497893718269501
Energy: 1.6111396909699447
Energy: 1.3627257214874824
Energy: 1.4837349612884476
Energy: 1.6057588184735405
Energy: 1.5284088740573567
Energy: 1.6061075953882573
Energy: 1.4837349612898703
Energy: 1.6057588184740148
Energy: 1.5284088740555029
Energy: 1.4979484643413679
Energy: 1.6090153318273261
Energy: 1.362806774977129
Energy: 1.6106056411686331
Energy: 1.4979484643394712
Energy: 1.6090153318254294
Energy: 1.362806774982819

minimum gb energy = 1.3625046385372102 eV
minimum distance =  2.32887192134482 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.535492874157694
Energy: 1.6096767136903265
Energy: 1.6007787240019378
Energy: 1.5848254733572933
Energy: 1.5354928741565428
Energy: 1.6096767136920271
Energy: 1.5092054795252692
Energy: 1.678474344208144
Energy: 1.468771930176792
Energy: 1.647043568929627
Energy: 1.4748478874006143
Energy: 1.67847434420872
Energy: 1.4687719301750652
Energy: 1.647043568929627
Energy: 1.5031756476016227
Energy: 1.465985873250157
Energy: 1.443320473863987
Energy: 1.5280789717969419
Energy: 1.5031756476016227
Energy: 1.4659858732518838
Energy: 1.443320473862836
Energy: 1.606105046346476
Energy: 1.4157281195152016
Energy: 1.6659460802422874
Energy: 1.4207788982921068
Energy: 1.6061050463476272
Energy: 1.4157281195134748
Energy: 1.6659460802422874
Energy: 1.444107544450204
Energy: 1.4637460913080313
Energy: 1.5015208125489927
Energy: 1.424913984595001
Energy: 1.4441075444507798
Energy: 1.4637460913074556
Energy: 1.4485769970982287
Energy: 1.5403979623396475
Energy: 1.4419927274491295
Energy: 1.530189602744536
Energy: 1.4241972625353034
Energy: 1.5403979623413744
Energy: 1.441992727449705
Energy: 1.5301896027531705
Energy: 1.5791994140474777
Energy: 1.465113029100877
Energy: 1.5312799075400083
Energy: 1.4045269179515654
Energy: 1.579199414046902
Energy: 1.4651130291014527
Energy: 1.582522611883879
Energy: 1.5978825251963569
Energy: 1.5747981262337298
Energy: 1.6950453894186766
Energy: 1.4123914077061535
Energy: 1.5978825251963569
Energy: 1.5747981262343056
Energy: 1.6950453894198279
Energy: 1.5794764128602994
Energy: 1.447856302654241
Energy: 1.6625782868828518
Energy: 1.5857042334729816
Energy: 1.5794764128602994
Energy: 1.4478563026536655
Energy: 1.6625782868834276
Energy: 1.57234015422853
Energy: 1.4509352336209271
Energy: 1.4707825519154802
Energy: 1.4080335943312892
Energy: 1.5723401542296813
Energy: 1.4509352336209271
Energy: 1.4707825519154802
Energy: 1.5377702273504423
Energy: 1.5162709924850177
Energy: 1.715798403547623
Energy: 1.4295397236493241
Energy: 1.5377702273504423
Energy: 1.516270992486169
Energy: 1.71579840354935
Energy: 1.4038924921847775
Energy: 1.423531044060191
Energy: 1.5644331976596704
Energy: 1.3620950500052862
Energy: 1.40389249218708
Energy: 1.4235310440607665
Energy: 1.5644331976590946
Energy: 1.526321073130576
Energy: 1.3945709026317274
Energy: 1.6215579626079004
Energy: 1.4127433035643593
Energy: 1.526321073129425
Energy: 1.3945709026300006
Energy: 1.6215579626079004
Energy: 1.4081409359560733
Energy: 1.4984724289166127
Energy: 1.5687581415288572
Energy: 1.4665484852541515
Energy: 1.4081409359543464
Energy: 1.498472428916037
Energy: 1.5687581415300083
Energy: 1.6816065715964201
Energy: 1.4898056160175606
Energy: 1.6173346221020244
Energy: 1.4385540066137246
Energy: 1.6816065715952688
Energy: 1.489805616016985
Energy: 1.6173346221020244
Energy: 1.4468885070119089
Energy: 1.5294731156858798
Energy: 1.47978398058199
Energy: 1.6016626865212937
Energy: 1.4468885070101818
Energy: 1.5294731156876067
Energy: 1.4797839805814141
Energy: 1.6766193808187797
Energy: 1.4311945898580158
Energy: 1.699168509422479
Energy: 1.4086274266395766
Energy: 1.6766193808159016
Energy: 1.4311945898568648
Energy: 1.699168509422479
Energy: 1.4332346097277018
Energy: 1.474666022636334
Energy: 1.4593628733156163
Energy: 1.4831115972025148
Energy: 1.433234609728853
Energy: 1.4746660226369095
Energy: 1.459362873314465
Energy: 1.5645426954239685
Energy: 1.4003600697600935
Energy: 1.6131797630390028
Energy: 1.4963639758277179
Energy: 1.5645426954239685
Energy: 1.4003600697612446
Energy: 1.6131797630384273
Energy: 1.4447773738543428
Energy: 1.5249471203871245
Energy: 1.3771208058869
Energy: 1.5100872729165513
Energy: 1.4447773738566454
Energy: 1.5249471203871245
Energy: 1.3771208058851732
Energy: 1.5645420797283982
Energy: 1.4923111126392015
Energy: 1.6463125005602952
Energy: 1.3989952464745827
Energy: 1.5645420797318519
Energy: 1.492311112639777
Energy: 1.6463125005585686
Energy: 1.4330590504791332
Energy: 1.4799558608632966
Energy: 1.4723499347462856
Energy: 1.470740809769839
Energy: 1.4330590504785579
Energy: 1.479955860862721
Energy: 1.4723499347445588
Energy: 1.6757307581947418
Energy: 1.4753630111535991
Energy: 1.6557725601499245
Energy: 1.3992068622309455
Energy: 1.6757307581953174
Energy: 1.4753630111547502
Energy: 1.6557725601528024
Energy: 1.4466736307411734
Energy: 1.6019541948923905
Energy: 1.4908111933809765
Energy: 1.5312386001665972
Energy: 1.4466736307429002
Energy: 1.6019541948935156
Energy: 1.4908111933821278
Energy: 1.6518650137992148
Energy: 1.4106878156472547
Energy: 1.7539246620473747
Energy: 1.4899604425896544
Energy: 1.6518650138009416
Energy: 1.4106878156466789
Energy: 1.753924662046799

minimum gb energy = 1.3620950500052862 eV
minimum distance =  2.25278863496013 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.4826778476832017
Energy: 1.5357207671422195
Energy: 1.5807309380487922
Energy: 1.5350284884976337
Energy: 1.4826778476832017
Energy: 1.5357207671390072
Energy: 1.692886716980984
Energy: 1.546559128659772
Energy: 1.458639328054541
Energy: 1.6113117736490266
Energy: 1.466505271748712
Energy: 1.5465591286565592
Energy: 1.458639328054541
Energy: 1.611311773652239
Energy: 1.474636530814243
Energy: 1.4192638665082749
Energy: 1.6542745470453444
Energy: 1.4276745512762716
Energy: 1.4746365308174554
Energy: 1.4192638665082749
Energy: 1.6542745470485567
Energy: 1.373321893612731
Energy: 1.4597650882060502
Energy: 1.741190873085623
Energy: 1.481332855497724
Energy: 1.3733218936159433
Energy: 1.4597650882060502
Energy: 1.7411908730695604
Energy: 1.5020904620760946
Energy: 1.355761852339472
Energy: 1.545159936849432
Energy: 1.3248762379770265
Energy: 1.502090462072882
Energy: 1.355761852333047
Energy: 1.5451599368526443
Energy: 1.3979213644835586
Energy: 1.384326167807869
Energy: 1.7282926477368035
Energy: 1.383407841372678
Energy: 1.3979213644835586
Energy: 1.384326167814294
Energy: 1.728292647740016
Energy: 1.578620890298047
Energy: 1.3578142443116767
Energy: 1.5935354432746114
Energy: 1.335442239587916
Energy: 1.5786208902948344
Energy: 1.357814244314889
Energy: 1.593535443264974
Energy: 1.385799541976076
Energy: 1.4086974649368076
Energy: 1.6811016440384052
Energy: 1.3850497900708663
Energy: 1.385799541969651
Energy: 1.4086974649303823
Energy: 1.6811016440416178
Energy: 1.4177417014697073
Energy: 1.3517945825160549
Energy: 1.6193262649046392
Energy: 1.3130282610621207
Energy: 1.4177417014408533
Energy: 1.3517945825128423
Energy: 1.6193262648982136
Energy: 1.396692796576873
Energy: 1.4674875185065934
Energy: 1.6686708691511059
Energy: 1.4124629673386826
Energy: 1.3966927965800855
Energy: 1.467487518509806
Energy: 1.6686708691543182
Energy: 1.4826741194378907
Energy: 1.453452910100512
Energy: 1.7361001127041409
Energy: 1.3174867096135396
Energy: 1.4826741194346782
Energy: 1.453452910100512
Energy: 1.7361001127105657
Energy: 1.4267259010601039
Energy: 1.3511273556089503
Energy: 1.823680554290138
Energy: 1.3143853922818243
Energy: 1.4267259010601039
Energy: 1.3511273556025254
Energy: 1.8236805542869254
Energy: 1.4717683832320418
Energy: 1.3722894983992868
Energy: 1.68005291844491
Energy: 1.4012133286592383
Energy: 1.4717683832320418
Energy: 1.372289498405712
Energy: 1.6882761345275406
Energy: 1.5074269020933961
Energy: 1.467768930975018
Energy: 1.8700550320456533
Energy: 1.3675541958504491
Energy: 1.5074269020966087
Energy: 1.4677689309910802
Energy: 1.8700550320424407
Energy: 1.4800650138209224
Energy: 1.4115718846101177
Energy: 1.7959323472684585
Energy: 1.4734031582106129
Energy: 1.4800650138209224
Energy: 1.4115718846069052
Energy: 1.7959323472620334
Energy: 1.5369633532030096
Energy: 1.3385647594942778
Energy: 1.7861318714533294
Energy: 1.3667380254880466
Energy: 1.5369633532030096
Energy: 1.3385647594910652
Energy: 1.786131871462967
Energy: 1.5699859724937337
Energy: 1.3714158120482594
Energy: 1.799031859986493
Energy: 1.341215319322862
Energy: 1.5699859725001586
Energy: 1.3714158120450468
Energy: 1.7990318599897053
Energy: 1.3513678665157483
Energy: 1.3423268993958777
Energy: 1.732191598846126
Energy: 1.3438736327347665
Energy: 1.3513678665221733
Energy: 1.3423268994023028
Energy: 1.7321915988589758
Energy: 1.5680550502470747
Energy: 1.4045076127039646
Energy: 1.7462286539504048
Energy: 1.4203856581239915
Energy: 1.5680550502502872
Energy: 1.4045076127071772
Energy: 1.7462286539471923
Energy: 1.4501076514991333
Energy: 1.4406936057752906
Energy: 1.622862953499831
Energy: 1.299974049888679
Energy: 1.4501076515023459
Energy: 1.4406936057785031
Energy: 1.6228629535030434
Energy: 1.4713291449344672
Energy: 1.376982838935524
Energy: 1.5824412355309856
Energy: 1.4745772252013036
Energy: 1.4713291449280423
Energy: 1.3769828389323118
Energy: 1.5824412355309856
Energy: 1.404936024784056
Energy: 1.432589876986248
Energy: 1.6195697968133327
Energy: 1.3220912198468509
Energy: 1.404936024790481
Energy: 1.432589876989402
Energy: 1.6195697968133327
Energy: 1.465825229977807
Energy: 1.337074977311207
Energy: 1.7466083152839162
Energy: 1.5043886248143148
Energy: 1.4658252299810193
Energy: 1.3370749773208443
Energy: 1.7466083152871288
Energy: 1.3341536686425988
Energy: 1.3888966472753341
Energy: 1.628200072561067
Energy: 1.3905555103443346
Energy: 1.3341536686265363
Energy: 1.3888966472785467
Energy: 1.628200072561067
Energy: 1.4481454985479278
Energy: 1.4170925526346718
Energy: 1.6401593244190846
Energy: 1.5727225323396017
Energy: 1.448145498544715
Energy: 1.417092552641097
Energy: 1.6621387072924705
Energy: 1.4039905776307096
Energy: 1.4505714465421071
Energy: 1.7264588581521163
Energy: 1.4536729347377566
Energy: 1.4039905776242847
Energy: 1.4505714465421071
Energy: 1.7264588581553288
Energy: 1.680848482479957
Energy: 1.4634580806353852
Energy: 1.5461796838379998
Energy: 1.5427819489716097
Energy: 1.6808484824767445
Energy: 1.46345808064181
Energy: 1.5461796838412123
Energy: 1.402555535803039
Energy: 1.5287132727183053
Energy: 1.7223631244655284
Energy: 1.5693932264159955
Energy: 1.4025555358126767
Energy: 1.5287132727215178
Energy: 1.7223631244655284
Energy: 1.599609991316946
Energy: 1.4473977115575458
Energy: 1.6935352565308626
Energy: 1.599693128682856
Energy: 1.599609991323371
Energy: 1.4473977115543333
Energy: 1.6935352565372874
Energy: 1.4265594159442845
Energy: 1.4788717294402387
Energy: 1.6506602043178396
Energy: 1.4447124541693444
Energy: 1.4265594159474968
Energy: 1.4788717294434512
Energy: 1.6506602043114147
Energy: 1.525908422992086
Energy: 1.4299458229724555
Energy: 1.7822059878922007
Energy: 1.5427424971703751
Energy: 1.525908422992086
Energy: 1.4299458229756679
Energy: 1.7822059879018382
Energy: 1.4441226831046468
Energy: 1.3381104280968643
Energy: 1.5638906565873727
Energy: 1.365653648758633
Energy: 1.4441226831046468
Energy: 1.338110428106502
Energy: 1.5638906565905852
Energy: 1.4946989573920935
Energy: 1.3344274047426725
Energy: 1.7314853017214555
Energy: 1.4406989744428678
Energy: 1.4946989574017309
Energy: 1.3344274047426725
Energy: 1.7314853017118181
Energy: 1.444653292354225
Energy: 1.3211441959579986
Energy: 1.4513168397124216
Energy: 1.365739738385495
Energy: 1.44465329236065
Energy: 1.3211441959579986
Energy: 1.4513168397124216
Energy: 1.4760198434112841
Energy: 1.3457899950660994
Energy: 1.5719107301958934
Energy: 1.435131781055517
Energy: 1.4760198434080716
Energy: 1.3457899950693117
Energy: 1.5719107301926811
Energy: 1.4606764014876548
Energy: 1.367468442547286
Energy: 1.5017588075398827
Energy: 1.300186733259357
Energy: 1.4606764014844422
Energy: 1.3674684425440735
Energy: 1.5017588075398827
Energy: 1.4338557582902172
Energy: 1.3274517278710805
Energy: 1.6454145932713518
Energy: 1.4811450983728836
Energy: 1.4338557582934297
Energy: 1.327451727867868
Energy: 1.6454145932842017
Energy: 1.4999217950800066
Energy: 1.3842164513117845
Energy: 1.579329811784349
Energy: 1.3336303430821088
Energy: 1.4999217950800066
Energy: 1.3842164513021469
Energy: 1.5793298117747112
Energy: 1.4803659625942571
Energy: 1.4425867500524219
Energy: 1.8088154201655557
Energy: 1.3878011570215125
Energy: 1.4803659625942571
Energy: 1.4425867500459968
Energy: 1.8088154201623434
Energy: 1.4373084130946425
Energy: 1.4018551096592948
Energy: 1.6278395787159379
Energy: 1.3855641598832138
Energy: 1.43730841310428
Energy: 1.4018551096689327
Energy: 1.6278395787063005
Energy: 1.578519314585145
Energy: 1.491769644388177
Energy: 1.8303681590571375
Energy: 1.4319245777856722
Energy: 1.578519314585145
Energy: 1.491769644394602
Energy: 1.830368159053925
Energy: 1.4070688126528543
Energy: 1.435580806518179
Energy: 1.6953584835278803
Energy: 1.4775919418683834
Energy: 1.4070688126496418
Energy: 1.4355808065213915
Energy: 1.6953584835278803
Energy: 1.5166745309109586
Energy: 1.4692485537582665
Energy: 1.732608405450555
Energy: 1.3911763203021579
Energy: 1.5166745309141711
Energy: 1.4692485537550537
Energy: 1.7326084054569801
Energy: 1.4405889743294336
Energy: 1.3912383706835834
Energy: 1.7675095660072824
Energy: 1.3568444638485813
Energy: 1.4405889743230087
Energy: 1.391238370686796
Energy: 1.7675095660169198
Energy: 1.3530874064461402
Energy: 1.4751778739183874
Energy: 1.7578069099931861
Energy: 1.4069068363554853
Energy: 1.3530874064493528
Energy: 1.4751778739183874
Energy: 1.7578069099931861

minimum gb energy = 1.299974049888679 eV
minimum distance =  2.23736770235613 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.9534916841830026
Energy: 1.5856403730237199
Energy: 1.442337316163804
Energy: 1.5856403730237199
Energy: 1.9534916841830026
Energy: 1.5856403730251687
Energy: 1.4637203128632867
Energy: 1.9534916841822783
Energy: 1.5856403730229955
Energy: 1.526258687449832
Energy: 1.5856403730251687
Energy: 1.9534916841830026
Energy: 1.5856403730244442
Energy: 1.61012124599398
Energy: 1.9534916841822783
Energy: 1.5856403730266173
Energy: 1.4685060648058534
Energy: 1.5856403730237199
Energy: 1.953491684181554
Energy: 1.5856403730229955
Energy: 1.4319018044341887
Energy: 1.9534916841830026
Energy: 1.5856403730251687
Energy: 1.31598799124066
Energy: 1.5856403730244442
Energy: 1.9534916841837267
Energy: 1.5856403730244442
Energy: 1.6101212668567404
Energy: 1.953491684181554
Energy: 1.5856403730229955
Energy: 1.4997737436139105
Energy: 1.5856403730244442
Energy: 1.9534916841830026
Energy: 1.5856403730244442
Energy: 1.463720159811392
Energy: 1.9534916841822783
Energy: 1.5856403730266173
Energy: 1.40609774325951
Energy: 1.5856403730237199
Energy: 1.953491684181554
Energy: 1.5856403730222715
Energy: 1.431901891041813
Energy: 1.9534916841830026
Energy: 1.5856403730251687
Energy: 1.4428529849492333
Energy: 1.5856403730244442
Energy: 1.9534916841837267
Energy: 1.5856403730244442
Energy: 1.3686810938822696
Energy: 1.953491684181554
Energy: 1.5856403730237199
Energy: 1.5246839614913148
Energy: 1.5856403730258928
Energy: 1.9534916841822783
Energy: 1.5856403730244442
Energy: 1.4637162310918794
Energy: 1.9534916841830026
Energy: 1.5856403730244442
Energy: 1.4319018876891114
Energy: 1.5856403730244442
Energy: 1.9534916841822783
Energy: 1.5856403730222715
Energy: 1.4319018955753475
Energy: 1.9534916841830026
Energy: 1.5856403730244442
Energy: 1.4057800242825447
Energy: 1.5856403730244442
Energy: 1.9534916841837267
Energy: 1.5856403730244442
Energy: 1.3683907802534356
Energy: 1.9534916841822783
Energy: 1.5856403730244442
Energy: 1.4368423598405207
Energy: 1.5856403730251687
Energy: 1.9534916841830026
Energy: 1.5856403730251687
Energy: 1.463718229045516
Energy: 1.953491684181554
Energy: 1.5856403730251687
Energy: 1.4319020002468876
Energy: 1.5856403730237199
Energy: 1.9534916841830026
Energy: 1.5856403730229955
Energy: 1.4319020015927615
Energy: 1.953491684181554
Energy: 1.5856403730251687
Energy: 1.6101213816711604
Energy: 1.5856403730237199
Energy: 1.9534916841830026
Energy: 1.5856403730244442
Energy: 1.368187049665366
Energy: 1.953491684181554
Energy: 1.5856403730237199
Energy: 1.6101214273829447
Energy: 1.5856403730251687
Energy: 1.9534916841830026
Energy: 1.5856403730258928
Energy: 1.6101214037372076
Energy: 1.9534916841822783
Energy: 1.5856403730258928
Energy: 1.6101213961738428
Energy: 1.5856403730229955
Energy: 1.953491684181554
Energy: 1.5856403730229955
Energy: 1.6101213864769317
Energy: 1.953491684184451
Energy: 1.5856403730237199
Energy: 1.6101214259856784
Energy: 1.5856403730244442
Energy: 1.9534916841837267
Energy: 1.5856403730251687
Energy: 1.6101213753892403
Energy: 1.953491684181554
Energy: 1.5856403730237199
Energy: 1.6101213986874798
Energy: 1.5856403730258928
Energy: 1.9534916841830026
Energy: 1.5856403730244442
Energy: 1.6101213956880376
Energy: 1.9534916841822783
Energy: 1.5856403730258928
Energy: 1.610121376661993
Energy: 1.5856403730237199
Energy: 1.9534916841837267
Energy: 1.5856403730222715
Energy: 1.6101213904160498
Energy: 1.9534916841822783
Energy: 1.5856403730244442
Energy: 1.610121404038383
Energy: 1.5856403730237199
Energy: 1.9534916841830026
Energy: 1.5856403730237199
Energy: 1.6101214085523619
Energy: 1.9534916841822783
Energy: 1.5856403730222715
Energy: 1.6101214169939029
Energy: 1.5856403730244442
Energy: 1.9534916841830026
Energy: 1.5856403730258928
Energy: 1.4319017031356633

minimum gb energy = 1.31598799124066 eV
minimum distance =  2.26200522288624 Angstroms
sigma value = 23