Model name: model_name=EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
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=3.633016772568226
cohesive_energy=4.280573320677608
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: 0.016407577143441977
Energy: 0.017033887351167336
Energy: 0.4179152446094418
Energy: 0.017033887351753846
Energy: 0.017033887351167336
Energy: 1.5881320673074388
Energy: 0.017033887351167336
Energy: 1.5881320673074388
Energy: 0.41791524460885526
Energy: 0.017033887351753846
Energy: 0.016407577143441977
Energy: 0.017033887351167336
Energy: 0.017033887351753846
Energy: 1.5881320673074388
Energy: 0.017033887351753846
Energy: 1.5881320673074388

minimum gb energy = 0.016407577143441977 eV
minimum distance =  2.47805281122728 Angstroms
sigma value = 1


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

Energy: 1.7122220867310491
Energy: 1.688529582303437
Energy: 1.4970964319976716
Energy: 1.688529582302684
Energy: 1.552810802723827
Energy: 1.6778420452653895
Energy: 1.4708625024598698
Energy: 1.6778420452638831
Energy: 1.3408555561021311
Energy: 1.6687494335480684
Energy: 1.5439876434079274
Energy: 1.6687494335458088
Energy: 1.5289677201393046
Energy: 1.7025077879517398
Energy: 1.5287172656020733
Energy: 1.7025077879517398
Energy: 1.532771724378107
Energy: 1.6924427176509103
Energy: 1.529863717461281
Energy: 1.6924427176494041
Energy: 1.468152438366585
Energy: 1.642624663654227
Energy: 1.479307204891563
Energy: 1.642624663654227
Energy: 1.5555552522778842
Energy: 1.6710276037671534
Energy: 1.4701724474829536
Energy: 1.6710276037671534
Energy: 1.358748475988761
Energy: 1.6893047461385893
Energy: 1.4705049420773189
Energy: 1.6893047461385893
Energy: 1.5289450497175827
Energy: 1.5501317613396766
Energy: 1.4471480058066697
Energy: 1.5501317613389236
Energy: 1.476413448190612
Energy: 1.6721263574659704
Energy: 1.3430127795293019
Energy: 1.6721263574652174
Energy: 1.5299522389686442
Energy: 1.644694291923785
Energy: 1.5291218287071076
Energy: 1.6446942919252914
Energy: 1.4982528707358092
Energy: 1.68970256537761
Energy: 1.4967278039080998
Energy: 1.68970256537761
Energy: 1.4678275388741402
Energy: 1.6724109569251353
Energy: 1.5557092896773335
Energy: 1.6724109569251353
Energy: 1.5453379524583948
Energy: 1.6782639990361283
Energy: 1.512643336040653
Energy: 1.6782639990353754
Energy: 1.5295383870002845
Energy: 1.6891570119320316
Energy: 1.5455361974434045
Energy: 1.6891570119312784
Energy: 1.5293830099256
Energy: 1.6875869070675242
Energy: 1.545033197890563
Energy: 1.6875869070682776
Energy: 1.5441693299701504
Energy: 1.6685795124109075
Energy: 1.4122872523628276
Energy: 1.6685795124124139
Energy: 1.4707160186639348
Energy: 1.6714972734188558
Energy: 1.5528175855963402
Energy: 1.6714972734196092
Energy: 1.338872309990887
Energy: 1.6883951004483377
Energy: 1.4948893404212598
Energy: 1.6883951004475846
Energy: 1.47661155540466
Energy: 1.5502104929157379
Energy: 1.5317091904044544
Energy: 1.5502104929149847
Energy: 1.4794337992932847
Energy: 1.6686702876421602
Energy: 1.3412827152866136
Energy: 1.6686702876414754
Energy: 1.5287777316524014
Energy: 1.6596894409093417
Energy: 1.5194943958523373
Energy: 1.6596894409108478
Energy: 1.52956158534143
Energy: 1.6924733019302896
Energy: 1.445674884761983
Energy: 1.6924733019310427
Energy: 1.5051632985563708
Energy: 1.6712121908389175
Energy: 1.4683919886140921
Energy: 1.6712121908396709
Energy: 1.4699695581275944
Energy: 1.6351490629948575
Energy: 1.556147269662577
Energy: 1.6351490629948575
Energy: 1.5277653492593195
Energy: 1.6892501756145113
Energy: 1.3597146991458113
Energy: 1.6892501756137581
Energy: 1.4460997133350597
Energy: 1.6786127997854678
Energy: 1.5287094840513968
Energy: 1.678612799786974
Energy: 1.3408116945130655
Energy: 1.6698842950717248
Energy: 1.5442650087699337
Energy: 1.6698842950717248
Energy: 1.5513573068109778
Energy: 1.6971663857508572
Energy: 1.529629329646908
Energy: 1.6971663857516104
Energy: 1.5708865826243732
Energy: 1.6897290952390247
Energy: 1.4940306499060971
Energy: 1.6897290952390247
Energy: 1.556765770180527
Energy: 1.6800586227302614
Energy: 1.4676983452314498
Energy: 1.6800586227310144
Energy: 1.5091034215160353
Energy: 1.6724705907136483
Energy: 1.545037590336468
Energy: 1.6724705907144013
Energy: 1.5326632158624733
Energy: 1.702525528920874
Energy: 1.526745432028877
Energy: 1.7025255289201207

minimum gb energy = 1.338872309990887 eV
minimum distance =  2.30230085957292 Angstroms
sigma value = 1


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

Energy: 1.8413799763193177
Energy: 1.8115359764973087
Energy: 1.5964937875168799
Energy: 1.8115359765007437
Energy: 1.618370618591793
Energy: 1.752709266064726
Energy: 1.6202602234043375
Energy: 1.752709266068161
Energy: 1.4187305154514556
Energy: 1.8156054353226088
Energy: 1.6290508956020808
Energy: 1.815605435319174
Energy: 1.5845652205407315
Energy: 1.7109605220122255
Energy: 1.5400640781571888
Energy: 1.7109605220130841
Energy: 1.5847224801530901
Energy: 1.7832208475409406
Energy: 1.5963634337324306
Energy: 1.783220847539223
Energy: 1.6268598148190494
Energy: 1.7830737124114788
Energy: 1.574552157915909
Energy: 1.7830737124054679
Energy: 1.616282173206677
Energy: 1.7117538999497024
Energy: 1.539755684846131
Energy: 1.7117538999471265
Energy: 1.4179085870589279
Energy: 1.8149614875640847
Energy: 1.5744331983450508
Energy: 1.814961487563226
Energy: 1.5928745811345129
Energy: 1.6620385587606978
Energy: 1.620341784625217
Energy: 1.662038558763235
Energy: 1.580538738637816
Energy: 1.8118534411079554
Energy: 1.4089936771427256
Energy: 1.8118534411036622
Energy: 1.6164644058068167
Energy: 1.7271058522270117
Energy: 1.6207898596394228
Energy: 1.7271058522313056
Energy: 1.5053874252690258
Energy: 1.7952785273368606
Energy: 1.6290562518805096
Energy: 1.7952785273402954
Energy: 1.6549501575144003
Energy: 1.7860556405477521
Energy: 1.5975569066224145
Energy: 1.7860556405537242
Energy: 1.654716766857058
Energy: 1.786121030493404
Energy: 1.5976011259998344
Energy: 1.786121030493404
Energy: 1.5053255647619699
Energy: 1.7956315801164209
Energy: 1.629255965063863
Energy: 1.7956315801172793
Energy: 1.6165546028249196
Energy: 1.7271730878995006
Energy: 1.6206509193868854
Energy: 1.7271730879003593
Energy: 1.5804861249634832
Energy: 1.8118398187950167
Energy: 1.4090319461181522
Energy: 1.8118398187975928
Energy: 1.5928291710216116
Energy: 1.66202442593291
Energy: 1.6204349575588932
Energy: 1.6620244259260402
Energy: 1.4179340265053484
Energy: 1.8149352561895296
Energy: 1.5744069915981185
Energy: 1.814935256193823
Energy: 1.616065973244813
Energy: 1.7112922268484534
Energy: 1.5398462918223261
Energy: 1.7112922268450186
Energy: 1.6268904302477654
Energy: 1.7828800391751647
Energy: 1.5742979589853752
Energy: 1.782880039180317
Energy: 1.584142852338576
Energy: 1.7831488193170861
Energy: 1.596365386146309
Energy: 1.783148819316227
Energy: 1.5845249078725359
Energy: 1.710755102487635
Energy: 1.5395768716560496
Energy: 1.7107551024893526
Energy: 1.4188351770533758
Energy: 1.8156087222626656
Energy: 1.629204474649718
Energy: 1.815608722260948
Energy: 1.6183499120349887
Energy: 1.752675458380745
Energy: 1.6201108133209667
Energy: 1.752675458380745
Energy: 1.8413799763201766
Energy: 1.8115359764973087
Energy: 1.596493787514304
Energy: 1.8115359765016021
Energy: 1.6183706185900757
Energy: 1.752709266064726
Energy: 1.6202602234034789
Energy: 1.7527092660690196
Energy: 1.418730515450597
Energy: 1.8156054353226088
Energy: 1.6290508956020808
Energy: 1.8156054353200324
Energy: 1.5845652205441667
Energy: 1.7109605220130841
Energy: 1.5400640781571888
Energy: 1.7109605220087905

minimum gb energy = 1.4089936771427256 eV
minimum distance =  2.28461113110714 Angstroms
sigma value = 25


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

Energy: 1.748812142906756
Energy: 1.918597592110658
Energy: 1.713233140388402
Energy: 1.918597592110658
Energy: 1.6370588740474756
Energy: 1.8309503328786971
Energy: 1.7281508123556357
Energy: 1.8309503328786971
Energy: 1.5048124280135455
Energy: 1.9684422597467255
Energy: 1.7146635399349475
Energy: 1.9684422597467255
Energy: 1.6958316515215943
Energy: 1.861926636603041
Energy: 1.6447415044451628
Energy: 1.861926636603041
Energy: 1.6436260257814073
Energy: 1.9233729314719175
Energy: 1.705090877100391
Energy: 1.9233729314719175
Energy: 1.7637313865166475
Energy: 1.9604095397050236
Energy: 1.6435465476687257
Energy: 1.9604095397050236
Energy: 1.637188358616686
Energy: 1.7148482312086286
Energy: 1.6906893418721147
Energy: 1.714848231210625
Energy: 1.755790771447845
Energy: 1.9255014267651471
Energy: 1.5414846641157858
Energy: 1.9255014267651471
Energy: 1.6909147851412936
Energy: 1.8376337100826718
Energy: 1.636535589822117
Energy: 1.8376337100826718
Energy: 1.7117605179629638
Energy: 1.961372667314646
Energy: 1.6117646805828878
Energy: 1.9613726673136478
Energy: 1.7050036284860801
Energy: 1.92155450506959
Energy: 1.7141386184384242
Energy: 1.92155450506959
Energy: 1.5399719847589084
Energy: 1.9183646302326987
Energy: 1.7138703675759084
Energy: 1.9183646302326987
Energy: 1.7134873492968061
Energy: 1.8576527418920834
Energy: 1.6124377463929522
Energy: 1.8576527418920834
Energy: 1.6931422361782278
Energy: 1.7094098953528036
Energy: 1.6382107734140832
Energy: 1.7094098953518055
Energy: 1.4926331799872672
Energy: 1.9192284652236347
Energy: 1.5393344615345692
Energy: 1.9192284652226363
Energy: 1.7112284653941423
Energy: 1.7326624552441365
Energy: 1.6369443385845937
Energy: 1.7326624552441365
Energy: 1.5038136368134647
Energy: 1.9672388143544615
Energy: 1.5036519288286754
Energy: 1.9672388143544615
Energy: 1.6451600910313504
Energy: 1.9193203888643542
Energy: 1.7019293115607659
Energy: 1.9193203888653527
Energy: 1.6927837627259086
Energy: 1.8609752672952795
Energy: 1.6432031991319709
Energy: 1.8609752672952795
Energy: 1.6414246387970401
Energy: 1.9601684240825543
Energy: 1.7141391519936502
Energy: 1.9601684240815558
Energy: 1.7457835288968497
Energy: 1.8298127544154759
Energy: 1.7110771003030079
Energy: 1.8298127544164742
Energy: 1.7531323538942463
Energy: 1.9210754656109412
Energy: 1.7224074848904238
Energy: 1.921075465611939
Energy: 1.637347726800808
Energy: 1.857395402060849
Energy: 1.728244358205635
Energy: 1.8573954020618473
Energy: 1.5045574752075561
Energy: 1.967581450576251
Energy: 1.7119139684095326
Energy: 1.967581450577249
Energy: 1.7122440036493256
Energy: 1.7414763244591933
Energy: 1.6375735412743584
Energy: 1.7414763244591933

minimum gb energy = 1.4926331799872672 eV
minimum distance =  2.28237318690019 Angstroms
sigma value = 9


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

Energy: 1.8646434752943464
Energy: 1.8633316444992603
Energy: 1.8516000684187608
Energy: 1.8633316444992603
Energy: 1.7938674835325048
Energy: 1.9789736680857584
Energy: 1.8517288915959318
Energy: 1.9789736680845678
Energy: 1.708235486468707
Energy: 1.869629660293055
Energy: 1.8395087173791371
Energy: 1.8696296602906732
Energy: 1.869534604548319
Energy: 2.0108932592495963
Energy: 1.6634397071804323
Energy: 2.0108932592495963
Energy: 1.9254754530898437
Energy: 1.9775911020981167
Energy: 1.8398239591291146
Energy: 1.9775911020981167
Energy: 1.5946064231579593
Energy: 1.8734037834401585
Energy: 1.7632431199872793
Energy: 1.873403783441349
Energy: 1.8793787126528496
Energy: 1.6639937167233685
Energy: 1.6663476933503785
Energy: 1.6639937167233685
Energy: 1.7398258472218036
Energy: 1.8715704104038273
Energy: 1.6494547960344064
Energy: 1.8715704104026636
Energy: 1.8762392151833287
Energy: 1.9799133011874224
Energy: 1.8485498204091055
Energy: 1.9799133011874224
Energy: 1.8657240422706254
Energy: 1.8629988123773251
Energy: 1.6637246172376368
Energy: 1.862998812378516
Energy: 1.740516965292273
Energy: 1.9687697170866085
Energy: 1.8394001875282207
Energy: 1.9687697170889904
Energy: 1.8780798601108497
Energy: 1.9074721648955237
Energy: 1.6634964151538643
Energy: 1.9074721648955237
Energy: 1.5949245803503889
Energy: 1.8631707611858312
Energy: 1.6563314800751143
Energy: 1.8631707611858312
Energy: 1.7596867995628431
Energy: 1.872008965116718
Energy: 1.854379443949408
Energy: 1.8720089651155274
Energy: 1.5949270010919638
Energy: 1.8629007908138728
Energy: 1.5831282402400872
Energy: 1.862900790812682
Energy: 1.8782180964374644
Energy: 1.9073965335810577
Energy: 1.6634676994059734
Energy: 1.9073965335822487
Energy: 1.7407683812227024
Energy: 1.9693694659979175
Energy: 1.8393930608059221
Energy: 1.9693694659979175
Energy: 1.8655786648273498
Energy: 1.863061621750105
Energy: 1.6637071059522357
Energy: 1.863061621750105
Energy: 1.8758908496260738
Energy: 1.979779253180783
Energy: 1.8486919471986092
Energy: 1.979779253180783
Energy: 1.739665861513488
Energy: 1.8728368333198149
Energy: 1.649475285540371
Energy: 1.8728368333198149
Energy: 1.8794439969132015
Energy: 1.6642317409193979
Energy: 1.6663089758535339
Energy: 1.6642317409170164

minimum gb energy = 1.5831282402400872 eV
minimum distance =  2.35441431910603 Angstroms
sigma value = 25


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

Energy: 1.740231830628848
Energy: 2.0174116523444607
Energy: 2.0343827168291124
Energy: 2.0174116523400425
Energy: 1.7082998371785558
Energy: 1.972374095339595
Energy: 1.681557018648944
Energy: 1.9723740953381221
Energy: 1.6824443914210092
Energy: 2.1261390921114556
Energy: 1.6809190083222136
Energy: 2.126139092112928
Energy: 1.7366636410214944
Energy: 1.807990875002445
Energy: 1.8736431799248978
Energy: 1.8079908749921358
Energy: 1.873114713407919
Energy: 1.707412587010446
Energy: 1.6813846262133156
Energy: 1.707412587010446
Energy: 1.6819860497510195
Energy: 2.1268023004610517
Energy: 1.683972895210573
Energy: 2.126802300459579
Energy: 1.6812050390315085
Energy: 1.807672678328461
Energy: 1.6815997105976435
Energy: 1.807672678328461
Energy: 1.871484510651071
Energy: 1.6819218437067764
Energy: 1.7361557398089942
Energy: 1.6819218437391756
Energy: 1.6810090790666632
Energy: 1.9714806801892806
Energy: 1.7082081636855957
Energy: 1.9714806801892806
Energy: 1.9839348196769229
Energy: 1.8621202160707917
Energy: 1.6817380771650674
Energy: 1.8621202160722645
Energy: 1.7733882007225337
Energy: 2.1055922980354187
Energy: 2.0505488517295953
Energy: 2.1055922980368917
Energy: 1.6813695296269482
Energy: 1.7589589008400546
Energy: 1.9617754620374068
Energy: 1.7589589008415274
Energy: 1.8702786713719597
Energy: 2.126352937393299
Energy: 1.6816777480292877
Energy: 2.126352937393299
Energy: 1.6814030854348205
Energy: 1.808485546166616
Energy: 1.7370846406239115
Energy: 1.808485546166616
Energy: 1.682374467021359
Energy: 2.106228257526624
Energy: 1.872300936947987
Energy: 2.106228257526624
Energy: 1.7069803750535375
Energy: 1.884643000721237
Energy: 1.6816358206918816
Energy: 1.8846430007330186
Energy: 1.6814685525739772
Energy: 1.8425569707069571
Energy: 1.958523826806045
Energy: 1.8425569707069571

minimum gb energy = 1.6809190083222136 eV
minimum distance =  2.34428306694428 Angstroms
sigma value = 17


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

Energy: 1.9147530193009787
Energy: 1.9124962823819909
Energy: 2.1437757618700237
Energy: 1.912496282382825
Energy: 1.9207272063675767
Energy: 1.8302529247895007
Energy: 1.7143677554774353
Energy: 1.8302529247895007
Energy: 1.904191005133245
Energy: 1.904665932113001
Energy: 1.7138080407586445
Energy: 1.904665932112167
Energy: 1.7169248842842348
Energy: 1.9129711842174042
Energy: 1.8444992052686229
Energy: 1.91297118421657
Energy: 1.9622748879535996
Energy: 1.9257026580573369
Energy: 1.8267513109521525
Energy: 1.9257026580573369
Energy: 1.7394715440647757
Energy: 1.9188995042434536
Energy: 1.8861759041274828
Energy: 1.9188995042434536
Energy: 1.715028025329329
Energy: 1.9257429206630523
Energy: 1.7143895627207382
Energy: 1.9257429206630523
Energy: 1.8884563197083715
Energy: 1.9133509615927944
Energy: 1.734116803496006
Energy: 1.9133509615936284
Energy: 1.7350198998345663
Energy: 2.0056324121242497
Energy: 1.9569778545454137
Energy: 2.0056324121234157
Energy: 2.078035743617452
Energy: 1.855662607070876
Energy: 1.7139499401913798
Energy: 1.855662607069208
Energy: 1.721755877820273
Energy: 1.9164165391224268
Energy: 1.9073286505003024
Energy: 1.9164165391215928
Energy: 1.7352424616653555
Energy: 1.922967152958021
Energy: 1.7345902433475988
Energy: 1.922967152958855
Energy: 2.069818710558117
Energy: 1.927146697786298
Energy: 1.9219013956982243
Energy: 1.9271466977854639
Energy: 1.713897522157011
Energy: 2.022257082123174
Energy: 1.9237942557812262
Energy: 2.0222570821265102
Energy: 1.900551238178913
Energy: 1.9220372031135429
Energy: 1.7357359373970502
Energy: 1.9220372031135429
Energy: 1.9038955072022758
Energy: 2.168919660198709
Energy: 1.8885292372396207
Energy: 2.168919660199543
Energy: 1.7144625627530596
Energy: 2.005975771909106
Energy: 2.1100104267361517
Energy: 2.005975771909106
Energy: 1.9111256924948175
Energy: 1.9051342331999013
Energy: 1.739432904857206
Energy: 1.9051342331999013
Energy: 1.8196847242075738
Energy: 2.007967715290328
Energy: 1.8431555025153188
Energy: 2.007967715290328
Energy: 1.715299906548756
Energy: 1.9130413591827526
Energy: 1.71772078762834
Energy: 1.9130413591835869
Energy: 1.8023864148471684
Energy: 1.9054676880720018
Energy: 1.903861462067994
Energy: 1.9054676880711678
Energy: 1.7152244860504737
Energy: 1.9974019105032006
Energy: 2.0773344683715385
Energy: 1.9974019105040346
Energy: 1.9533148971146823
Energy: 1.9137671293681033
Energy: 1.7145439081728762
Energy: 1.9137671293672693
Energy: 1.8315559447230072
Energy: 1.9268032485799182
Energy: 1.951547419754173
Energy: 1.9268032485782502
Energy: 1.915750689220548
Energy: 1.9048816814168588
Energy: 1.9051180715360407
Energy: 1.9048816814168588
Energy: 1.9324169595515
Energy: 1.9138303360109696
Energy: 1.716619080308993
Energy: 1.9138303360118036
Energy: 1.8131761186676405
Energy: 2.1221665563359453
Energy: 2.128344197894303
Energy: 2.1221665563367793
Energy: 1.8868688860127847
Energy: 1.918365233890651
Energy: 1.9054749963154993
Energy: 1.9183652338914852
Energy: 2.0755427854705717
Energy: 2.0293354347757964
Energy: 1.7151182567620784
Energy: 2.0293354347724604
Energy: 1.7340626206246006
Energy: 2.006468134949962
Energy: 1.9191839148984033
Energy: 2.006468134949962

minimum gb energy = 1.7138080407586445 eV
minimum distance =  2.27254859945951 Angstroms
sigma value = 53


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

Energy: 1.650515510802984
Energy: 1.6492007037754381
Energy: 2.2470327833500585
Energy: 1.6492007037773584
Energy: 1.9941189827518735
Energy: 1.826298183888536
Energy: 1.6743417781402243
Energy: 1.826298183888536
Energy: 1.6512939777943436
Energy: 1.6487268118840415
Energy: 1.7788879605346088
Energy: 1.648726811887882
Energy: 1.6513179775657734
Energy: 1.6487696711164028
Energy: 1.7791613449093744
Energy: 1.6487696711164028
Energy: 1.9940499106960796
Energy: 1.826227337762789
Energy: 1.6744582459738064
Energy: 1.8262273377647091
Energy: 1.650515510802984
Energy: 1.6492007037754381
Energy: 2.0518394159312936
Energy: 1.6492007037773584
Energy: 1.994118982749953
Energy: 1.826298183888536
Energy: 1.7788362218627105
Energy: 1.826298183888536
Energy: 1.6512939777943436
Energy: 1.6487268118840415
Energy: 1.9309433208230644
Energy: 1.6487268118859617
Energy: 1.6513179775657734
Energy: 1.6487696711144826
Energy: 1.8920677174181229
Energy: 1.6487696711144826
Energy: 1.9940499106960796
Energy: 1.8262273377589484
Energy: 1.812193085701199
Energy: 1.8262273377570284
Energy: 1.650515510802984
Energy: 1.6492007037754381
Energy: 2.1523035483411412
Energy: 1.6492007037773584
Energy: 1.9941189827537937
Energy: 1.8262981838942962
Energy: 1.8921478814895605
Energy: 1.8262981838962165
Energy: 1.6512939777943436
Energy: 1.6487268118840415
Energy: 1.9309438974547133
Energy: 1.648726811887882

minimum gb energy = 1.6487268118840415 eV
minimum distance =  2.34040061242937 Angstroms
sigma value = 9


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

Energy: 1.832277945457526
Energy: 2.1028288775797046
Energy: 2.2638191543199095
Energy: 2.1028288775782835
Energy: 2.018925380844199
Energy: 1.8832273149822685
Energy: 1.8050933253945567
Energy: 1.8832273149808472
Energy: 1.7551929657511087
Energy: 1.8120765582897667
Energy: 1.7751920954442704
Energy: 1.8120765582897667
Energy: 1.9390748175532928
Energy: 2.1843347685221604
Energy: 1.7646924597981617
Energy: 2.1843347685214494
Energy: 1.9925943020864847
Energy: 1.911739920554589
Energy: 1.796382165969263
Energy: 1.911739920554589
Energy: 1.813159999622086
Energy: 1.811485023061872
Energy: 1.9290449384095034
Energy: 1.8114850230647146
Energy: 2.2762790248089764
Energy: 1.906746952829432
Energy: 1.8056813389700839
Energy: 1.9067469528287213
Energy: 1.7659794096088275
Energy: 2.137073840022605
Energy: 1.9644377413112595
Energy: 2.137073840022605
Energy: 1.7580199837064456
Energy: 2.1942662439653344
Energy: 1.810742775906034
Energy: 2.1942662439653344
Energy: 1.755919371374833
Energy: 1.878918522616907
Energy: 1.8074669038155025
Energy: 1.878918522616907
Energy: 1.7684975200610942
Energy: 2.178850597138067
Energy: 2.2147727771301478
Energy: 2.1788505971416208
Energy: 1.993573082088445
Energy: 2.086016549244935
Energy: 1.7609180762762717
Energy: 2.086016549245646
Energy: 1.7576881487165625
Energy: 1.9619683760740134
Energy: 2.130889038337507
Energy: 1.9619683760747242
Energy: 1.9440977133380473
Energy: 2.050153905688174
Energy: 1.8371983820684725
Energy: 2.05015390571447
Energy: 1.7689236738639358
Energy: 2.0256087418490227
Energy: 1.961141563614032
Energy: 2.02560874184689
Energy: 1.7620393668564898
Energy: 2.1944197545423934
Energy: 1.9367965169543562
Energy: 2.194419754541683
Energy: 1.8813831160592582
Energy: 2.025326729678209
Energy: 1.7690798601618
Energy: 2.025326729678209
Energy: 1.7715405446086354
Energy: 1.9053863124682762
Energy: 1.990046105540281
Energy: 1.9053863124696975
Energy: 2.0707272216640242
Energy: 1.9635837349993823
Energy: 1.8164952364028433
Energy: 1.9635837350000935
Energy: 1.7602170540998792
Energy: 1.8988996511836949
Energy: 1.9418839547712208
Energy: 1.8988996511844054
Energy: 1.9471951860729169
Energy: 2.179785776636053
Energy: 1.9410042297973793
Energy: 2.1797857766353426
Energy: 1.90167537004449
Energy: 2.0017737907062676
Energy: 1.755864740293359
Energy: 2.0017737907062676
Energy: 1.811063248042537
Energy: 2.0532251748927783
Energy: 1.758230195504705
Energy: 2.0532251748934893
Energy: 2.23866081797371
Energy: 1.9308007358708974
Energy: 1.7658622454783464
Energy: 1.9308007357906545
Energy: 1.8053162152620663
Energy: 2.0643474353334055
Energy: 2.146903075506708
Energy: 2.064347435335537
Energy: 1.8429285851587869
Energy: 1.8117700021579055
Energy: 1.75583521878999
Energy: 1.8117700021607483
Energy: 1.8778471131810714
Energy: 2.034034695106133
Energy: 1.9380850014499906
Energy: 2.034034695106133
Energy: 1.8252495233026809
Energy: 2.183673833751776
Energy: 1.939018066398693
Energy: 2.1836738337503543
Energy: 1.8620116141664373
Energy: 1.8113742982725038
Energy: 1.7551022260609401
Energy: 1.8113742982717933
Energy: 1.8047068887225461
Energy: 2.06130582148767
Energy: 2.136965035483281
Energy: 2.06130582148767
Energy: 2.1752203505825496
Energy: 2.104008355071832
Energy: 1.7654497040641774
Energy: 2.104008355077517
Energy: 1.805135955543503
Energy: 1.9073953845282121
Energy: 1.756167225442398
Energy: 1.907395384530344
Energy: 1.805409958346516
Energy: 2.0046399028776523
Energy: 1.7552629216289641
Energy: 2.004639902876231
Energy: 1.9415250781574744
Energy: 2.1810840879361635
Energy: 1.9389843914590676
Energy: 2.1810840879382956
Energy: 1.796271818799498
Energy: 2.0729358718679185
Energy: 2.262603676108632
Energy: 2.07293587186934

minimum gb energy = 1.7551022260609401 eV
minimum distance =  2.29072869833308 Angstroms
sigma value = 73


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

Energy: 1.9928746442160836
Energy: 1.97735257820683
Energy: 2.153276884518939
Energy: 1.9773525782079575
Energy: 1.931626738677198
Energy: 2.009194057010841
Energy: 1.8363431101212246
Energy: 2.0091940570097133
Energy: 1.7872785434706788
Energy: 2.1425131286156534
Energy: 1.8158715554272886
Energy: 2.1425131286145263
Energy: 1.7590073400003172
Energy: 2.109826043662069
Energy: 1.8185600807721651
Energy: 2.109826043662069
Energy: 1.8568935727457474
Energy: 1.9850945265007305
Energy: 1.8683919465338992
Energy: 1.9850945265018582
Energy: 1.8189279645446053
Energy: 2.1803771791168467
Energy: 2.053088805468369
Energy: 2.1803771791179747
Energy: 2.2596553359050198
Energy: 2.083943138965038
Energy: 1.784453876634121
Energy: 2.083943138965038
Energy: 1.785863248988465
Energy: 1.8497487143437323
Energy: 2.174487961791467
Energy: 1.8497487143437323
Energy: 2.1776177352352364
Energy: 1.8520371574492158
Energy: 1.849314693477345
Energy: 1.8520371574492158
Energy: 1.785788794070837
Energy: 1.9360185803148757
Energy: 1.7874981726120012
Energy: 1.9360185803148757
Energy: 1.783283179985435
Energy: 1.8516868584938693
Energy: 2.0820121706711023
Energy: 1.8516868584949968
Energy: 2.008637839643785
Energy: 2.0804604616285385
Energy: 1.7586857235109656
Energy: 2.0804604616262834
Energy: 1.81816921209759
Energy: 1.9746211303401595
Energy: 2.133943582849169
Energy: 1.9746211303401595
Energy: 2.1613454691860694
Energy: 2.0827645019093968
Energy: 1.8191085237200022
Energy: 2.0827645019071417
Energy: 1.7835103755417767
Energy: 2.098689360283209
Energy: 2.1137832669719954
Energy: 2.0986893602843364
Energy: 2.0799279410160767
Energy: 1.8502434683779865
Energy: 1.7860883404195957
Energy: 1.850243468379114
Energy: 1.9590742716808798
Energy: 1.951104822255027
Energy: 1.7867889652486495
Energy: 1.9511048222538991
Energy: 1.9058238332229278
Energy: 2.115493421065662
Energy: 1.786061581444458
Energy: 2.115493421065662
Energy: 1.814189191440422
Energy: 1.8500865972737286
Energy: 1.783882974752379
Energy: 1.8500865972737286
Energy: 1.8364668459750906
Energy: 1.9854337029267297
Energy: 2.2385174964475585
Energy: 1.9854337029301123
Energy: 2.092654026330671
Energy: 2.1423481000812066
Energy: 1.8203489171719893
Energy: 2.1423481000834617
Energy: 1.8536088463333502
Energy: 1.9858738042855841
Energy: 1.9165281958066986
Energy: 1.9858738042833293

minimum gb energy = 1.7586857235109656 eV
minimum distance =  2.29506181457831 Angstroms
sigma value = 7


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

Energy: 1.910852387442389
Energy: 1.9090282163097376
Energy: 2.234417868596371
Energy: 1.9090282163097376
Energy: 2.208315640511418
Energy: 1.961352584623142
Energy: 1.852775798869388
Energy: 1.9613525846215478
Energy: 1.823987186378193
Energy: 2.167828706358375
Energy: 1.8299342865744843
Energy: 2.1678287063551864
Energy: 1.8054284995584151
Energy: 2.0166494288359593
Energy: 1.869845211200339
Energy: 2.0166494288359593
Energy: 1.8245254671206046
Energy: 1.9720893689548287
Energy: 1.8144508555409269
Energy: 1.9720893689588153
Energy: 1.8255248389240781
Energy: 1.9075654849562167
Energy: 2.1245585358638324
Energy: 1.9075654849522303
Energy: 2.015028238802144
Energy: 2.0733659694572384
Energy: 1.8131529011742626
Energy: 2.0733659694556437
Energy: 1.8256752699754646
Energy: 1.9067768770653895
Energy: 2.1741549666297013
Energy: 1.9067768770685787
Energy: 2.014077184061772
Energy: 1.9945059256347863
Energy: 1.8462748873796995
Energy: 1.9945059256331918
Energy: 1.8448211801336396
Energy: 1.9818333672006971
Energy: 1.996544604274588
Energy: 1.9818333671959132
Energy: 1.7997983578666328
Energy: 2.158487428290502
Energy: 1.8128041203907912
Energy: 2.158487428287313
Energy: 1.840264299675643
Energy: 1.9731967959184953
Energy: 1.8092274389575507
Energy: 1.9731967959169006
Energy: 1.9223904185832217
Energy: 1.9080803870294556
Energy: 1.8131167395108567
Energy: 1.908080387027861
Energy: 1.8232989971940914
Energy: 1.8931595485127355
Energy: 1.8087264259746896
Energy: 1.893159548515925
Energy: 1.8329406633508427
Energy: 2.124367280134145
Energy: 2.217538967867866
Energy: 2.1243672801349422
Energy: 2.2963153474172997
Energy: 1.8930340816430737
Energy: 1.8455267013956689
Energy: 1.8930340816374926
Energy: 1.8483488965334907
Energy: 1.9888080511497919
Energy: 1.8752138950024584
Energy: 1.9888080511481974
Energy: 1.8443420455187098
Energy: 1.9118303277658963
Energy: 1.8090854933039169
Energy: 1.9118303277627071
Energy: 1.8438785719394652
Energy: 2.1584924764705598
Energy: 1.812906751638808
Energy: 2.1584924764665727
Energy: 1.844881606998654
Energy: 1.9701112596987076
Energy: 1.8098148745793774
Energy: 1.9701112596987076
Energy: 1.7997074714649142
Energy: 2.117400978114439
Energy: 1.8469768313262438
Energy: 2.1174009781112497
Energy: 1.8263982777410275
Energy: 2.1327278845135265
Energy: 1.9853922114904299
Energy: 2.1327278845119317
Energy: 2.164017073040355
Energy: 2.0476533667022143
Energy: 1.821996972430315
Energy: 2.0476533667014167
Energy: 1.909762602204662
Energy: 1.9068257680809646
Energy: 2.1227988081235396
Energy: 1.9068257680809646
Energy: 1.876292666348427
Energy: 1.9709469738041754
Energy: 1.82864736071323
Energy: 1.9709469738073644
Energy: 1.803849465760503
Energy: 2.145213794550524
Energy: 1.809348239733337
Energy: 2.145213794550524
Energy: 1.8241413575099183
Energy: 1.9860523891101347
Energy: 1.8310418709992125
Energy: 1.9860523891069455
Energy: 1.8044486633192938
Energy: 1.9874874739056103
Energy: 1.8699156128304828
Energy: 1.987487473904813
Energy: 1.823120355196749
Energy: 1.9080478826055791
Energy: 1.9412654725890457
Energy: 1.9080478826087681
Energy: 2.2577034249968353
Energy: 1.8780934190738177
Energy: 1.852712127691462
Energy: 1.878093419077804
Energy: 1.8230817259727339
Energy: 1.9081626886957228
Energy: 2.126857569449992
Energy: 1.9081626886965202

minimum gb energy = 1.7997074714649142 eV
minimum distance =  2.28747314336581 Angstroms
sigma value = 29


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

Energy: 1.8391175432213767
Energy: 1.8425610121884988
Energy: 2.26911419951494
Energy: 1.842561012188221
Energy: 1.7708729440834259
Energy: 1.8509338242086586
Energy: 1.8524222973673632
Energy: 1.8509338242138116
Energy: 1.7404448072168759
Energy: 1.9822103076583901
Energy: 1.769640546440609
Energy: 1.98221030765731
Energy: 1.8517691267727308
Energy: 1.9099612750586366
Energy: 1.8511391505568178
Energy: 1.9099612750722146
Energy: 1.8515559924661955
Energy: 1.9383284520298392
Energy: 1.7401376130555852
Energy: 1.9383284520306725
Energy: 1.7396910465212363
Energy: 1.9706563413897256
Energy: 1.7396636086255755
Energy: 1.9706563413886455
Energy: 1.7400139752396693
Energy: 1.9384871566305006
Energy: 1.8519342945637103
Energy: 1.938487156631056
Energy: 1.8518544890641424
Energy: 1.9096692524159804
Energy: 1.8517283250203829
Energy: 1.9096692524241272
Energy: 1.769664378334444
Energy: 1.9822669651607738
Energy: 1.7404124953349356
Energy: 1.9822669651610516

minimum gb energy = 1.7396636086255755 eV
minimum distance =  2.34146758785463 Angstroms
sigma value = 5


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

Energy: 1.762768934021065
Energy: 1.7990078470491069
Energy: 2.2944490553145767
Energy: 1.7990078470483537
Energy: 1.9776477041264122
Energy: 1.859913928676702
Energy: 1.6966468919758984
Energy: 1.859913928676702
Energy: 1.6913826847297204
Energy: 1.779711275407141
Energy: 2.0116694653694167
Energy: 1.7797112754041282
Energy: 1.6920827925918842
Energy: 1.8451580414471
Energy: 1.7265228561356016
Energy: 1.8451580414464153
Energy: 1.7159959657587174
Energy: 1.8761494236780774
Energy: 2.032417209580881
Energy: 1.87614942367883
Energy: 1.7748491675609088
Energy: 1.7936456848338858
Energy: 1.6875071582044177
Energy: 1.7936456848338858
Energy: 1.6906980825936468
Energy: 1.8640471876684077
Energy: 1.7016763051233694
Energy: 1.8640471876684077
Energy: 1.68721722194221
Energy: 1.7931098669044396
Energy: 1.6978739075406464
Energy: 1.7931098669036862
Energy: 1.7164038778170265
Energy: 1.864257025460403
Energy: 1.6852376530277775
Energy: 1.864257025460403
Energy: 1.7121379679478577
Energy: 1.8624434914273214
Energy: 1.6937608630654915
Energy: 1.8624434914273214
Energy: 1.68425670772852
Energy: 1.79379899097483
Energy: 1.6946073130643782
Energy: 1.793798990971064
Energy: 1.6914199195520374
Energy: 1.8852746184418958
Energy: 1.793576310424376
Energy: 1.8852746184411424
Energy: 1.7679733456433269
Energy: 1.7952853277290985
Energy: 1.7954996774873744
Energy: 1.7952853277275924
Energy: 1.715646312604442
Energy: 1.7970466337388353
Energy: 1.7647570555936147
Energy: 1.7970466337388353
Energy: 2.0259853128641385
Energy: 1.8455764499892946
Energy: 1.694426000831684
Energy: 1.845576449990048
Energy: 1.7277714220911138
Energy: 1.7755683086632275
Energy: 1.728937556938138
Energy: 1.7755683086624745
Energy: 1.9786701121324886
Energy: 1.8842706237532032
Energy: 1.6995982320910303
Energy: 1.8842706237524502
Energy: 1.716977442916931
Energy: 1.7970722720283925
Energy: 1.8453346120030165
Energy: 1.7970722720298986
Energy: 1.7028979766756973
Energy: 1.8613353052764596
Energy: 1.6857444970099222
Energy: 1.8613353052772128
Energy: 1.6916440404610833
Energy: 1.8268161096742197
Energy: 1.7490212796685993
Energy: 1.8268161096742197
Energy: 1.6893138673073298
Energy: 1.79194810569992
Energy: 1.7122747526526976
Energy: 1.7919481056954012
Energy: 1.7175001397373535
Energy: 1.8676415501533774
Energy: 1.7204044877688918
Energy: 1.8676415501526245
Energy: 1.6972374573649782
Energy: 1.7914561863010328
Energy: 1.6784838866987772
Energy: 1.7914561863055518
Energy: 1.808239519128932
Energy: 1.7904453700359577
Energy: 1.6919404780720722
Energy: 1.7904453700359577
Energy: 1.7957084389886777
Energy: 1.7684952504614735
Energy: 1.7023159367089067
Energy: 1.7684952504629798
Energy: 1.7595361790795117
Energy: 1.7941268072722885
Energy: 1.7162335204814259
Energy: 1.7941268072722885
Energy: 1.7020224338290464
Energy: 1.830149386535827
Energy: 1.7426644058193603
Energy: 1.8301493865373333
Energy: 1.76957994788053
Energy: 1.846713431617732
Energy: 1.7281509034051918
Energy: 1.846713431621498
Energy: 1.695367787583868
Energy: 1.859972253914469
Energy: 1.9965008040836838
Energy: 1.859972253918988
Energy: 1.919744046006677
Energy: 1.797072561157112
Energy: 1.7168228796555327
Energy: 1.797072561157112
Energy: 1.6888301093060352
Energy: 1.740039796580806
Energy: 1.92382427461966
Energy: 1.740039796581559
Energy: 2.0014142852466916
Energy: 1.798917668517386
Energy: 1.6920688338052656
Energy: 1.798917668519645
Energy: 1.7260425881761792
Energy: 1.8456510990838488
Energy: 1.6850070967115653
Energy: 1.845651099084602

minimum gb energy = 1.6784838866987772 eV
minimum distance =  2.29340657115693 Angstroms
sigma value = 1


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

Energy: 1.7319613957351152
Energy: 1.7221991144008384
Energy: 2.2652872088576896
Energy: 1.7221991144018798
Energy: 1.7103357739787555
Energy: 1.7216377664278153
Energy: 1.656439736372417
Energy: 1.7216377664288567
Energy: 1.594709063982432
Energy: 1.722126086673218
Energy: 1.9075812538297303
Energy: 1.7221260866721768
Energy: 1.6504770539254605
Energy: 1.799238305382989
Energy: 1.6311417939334945
Energy: 1.7992383053850716
Energy: 1.5944535230452463
Energy: 1.8727254646428084
Energy: 2.0267190399056063
Energy: 1.8727254646428084
Energy: 1.595947004598769
Energy: 1.7155607181713008
Energy: 1.6312419916784877
Energy: 1.7155607181702592
Energy: 1.5940823171356522
Energy: 1.8673270343078472
Energy: 1.692238349717396
Energy: 1.8673270343078472
Energy: 1.5931716873923267
Energy: 1.7157496738826248
Energy: 1.6911189168261591
Energy: 1.715749673880542
Energy: 1.7157389555016702
Energy: 1.7015807540411183
Energy: 1.6796172952460517
Energy: 1.7015807540390355
Energy: 1.7153286472038232
Energy: 1.701612364118131
Energy: 1.6907881825401498
Energy: 1.7016123641170897
Energy: 1.5881263102234775
Energy: 1.7157490410567857
Energy: 1.657182303362555
Energy: 1.7157490410557443
Energy: 1.5940608800458576
Energy: 1.8729166151349586
Energy: 1.6921530436585897
Energy: 1.8729166151370413
Energy: 1.5890893597016726
Energy: 1.7154845048189709
Energy: 1.6313735240972795
Energy: 1.7154845048200122
Energy: 1.594613063193938
Energy: 1.872679868959205
Energy: 2.0333903937153965
Energy: 1.872679868959205
Energy: 1.6502648783913119
Energy: 1.7993462903623065
Energy: 1.6455166804618675
Energy: 1.7993462903633481
Energy: 1.5947649194556188
Energy: 1.721961472143326
Energy: 1.7183033938057948
Energy: 1.7219614721443677
Energy: 1.710689744472357
Energy: 1.7220418253402214
Energy: 1.656111236348368
Energy: 1.7220418253391798
Energy: 1.7319613957351152
Energy: 1.7221991144008384
Energy: 1.677882947113553
Energy: 1.7221991144018798
Energy: 1.7103357739787555
Energy: 1.7216377664288567
Energy: 1.656439736372417
Energy: 1.7216377664309395
Energy: 1.594709063982432
Energy: 1.722126086673218
Energy: 2.2370333970140863
Energy: 1.7221260866711354
Energy: 1.650477053927543
Energy: 1.799238305382989
Energy: 1.6311417939334945
Energy: 1.7992383053840302
Energy: 1.594453523046288
Energy: 1.8727254646428084
Energy: 2.0101178839416085
Energy: 1.8727254646417668
Energy: 1.595947004598769
Energy: 1.7155607181713008
Energy: 1.6312419916784877
Energy: 1.7155607181702592
Energy: 1.5940823171346108
Energy: 1.8673270343078472
Energy: 1.6546287502325012
Energy: 1.8673270343078472

minimum gb energy = 1.5881263102234775 eV
minimum distance =  2.31295437640052 Angstroms
sigma value = 17


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

Energy: 1.6927631631180764
Energy: 1.6834114078091542
Energy: 1.9575221338745472
Energy: 1.683411407807867
Energy: 1.8862726337833877
Energy: 1.6474656968472123
Energy: 1.6209161616959
Energy: 1.6474656968433505
Energy: 1.6001520110375167
Energy: 1.6589660999115194
Energy: 2.0380311278585697
Energy: 1.6589660999095888
Energy: 1.6785900603553963
Energy: 1.919886578598019
Energy: 1.605714411405539
Energy: 1.919886578596088
Energy: 1.5841562667855293
Energy: 1.780419135213057
Energy: 1.880372777878633
Energy: 1.780419135213057
Energy: 1.580377774182905
Energy: 1.9388825524466116
Energy: 1.6323916590468468
Energy: 1.9388825524459679
Energy: 1.604383393579319
Energy: 1.7488594207521642
Energy: 1.6777565464724793
Energy: 1.7488594207534514
Energy: 1.5883699855365767
Energy: 1.958155615098791
Energy: 1.5852643665016897
Energy: 1.958155615098791
Energy: 1.6596346926777323
Energy: 1.9512415468940696
Energy: 1.6609709521143254
Energy: 1.951241546893426
Energy: 1.6645181526141257
Energy: 1.9516253390831706
Energy: 1.6047601114800265
Energy: 1.9516253390818832
Energy: 1.60074646097766
Energy: 1.918158075881784
Energy: 1.5861513888669694
Energy: 1.9181580758824275
Energy: 1.604154402081647
Energy: 1.7316553225299074
Energy: 1.5957447726326508
Energy: 1.731655322529264
Energy: 1.577687571214049
Energy: 1.9380625665805584
Energy: 1.603836254778194
Energy: 1.938062566577984
Energy: 1.5917322880648463
Energy: 1.7759332776621168
Energy: 1.6758176472071111
Energy: 1.775933277664048
Energy: 1.593440362255764
Energy: 1.9273506215903549
Energy: 1.6830467536899005
Energy: 1.9273506215929295
Energy: 1.6001725563725013
Energy: 1.6557627018387326
Energy: 1.8698128442972588
Energy: 1.6557627018387326
Energy: 1.6408508989806987
Energy: 1.9265775669936664
Energy: 1.6038434688645717
Energy: 1.9265775669923795
Energy: 1.6030748809363586
Energy: 1.6801803941423636
Energy: 1.61365742359259
Energy: 1.6801803941417202
Energy: 1.8722717654180874
Energy: 1.7306328863797156
Energy: 1.6011596839002424
Energy: 1.7306328863777845
Energy: 1.6285469991617771
Energy: 1.6547534660610947
Energy: 1.6674887675260694
Energy: 1.6547534660610947
Energy: 1.8854972751804262
Energy: 1.6351226593355432
Energy: 1.6141110777421055
Energy: 1.6351226593355432
Energy: 1.613700776398576
Energy: 1.9906223682838426
Energy: 1.8730828276588098
Energy: 1.9906223682831992
Energy: 1.6258476507501336
Energy: 1.9421095308474825
Energy: 1.6322763940238199
Energy: 1.9421095308468386
Energy: 1.6004349798546762
Energy: 1.7469771508879353
Energy: 1.8965680776091056
Energy: 1.746977150888579
Energy: 1.639515832189927
Energy: 1.678178433538177
Energy: 1.6051549398247913
Energy: 1.6781784335362462
Energy: 1.6067433524082155
Energy: 1.777218380280506
Energy: 1.6216802857083181
Energy: 1.7772183802792185
Energy: 1.8665645417558985
Energy: 1.7049972988014455
Energy: 1.6020955241879624
Energy: 1.704997298800158
Energy: 1.685333814873368
Energy: 1.9272521326892564
Energy: 1.5905859494040084
Energy: 1.9272521326860381
Energy: 1.6892840214078522
Energy: 1.775498761943005
Energy: 1.5858091447323481
Energy: 1.7754987619423614
Energy: 1.6069396947886803
Energy: 1.9380995851190193
Energy: 1.6534136529461374
Energy: 1.9380995851170884
Energy: 1.591684614839124
Energy: 1.7758198783843335
Energy: 1.608926530831968
Energy: 1.7758198783836898
Energy: 1.5896462967797471
Energy: 1.9185867011568125
Energy: 1.5972371838826755
Energy: 1.9185867011555255
Energy: 1.6023242596014977
Energy: 1.7193125505248834
Energy: 1.9046244234603165
Energy: 1.7193125505223092
Energy: 1.6548246402459463
Energy: 1.951371704063676
Energy: 1.637480103653361
Energy: 1.951371704063676
Energy: 1.583939468313205
Energy: 1.6786961563804463
Energy: 1.6411465585763563
Energy: 1.6786961563817338
Energy: 1.6541824987340608
Energy: 1.7473008178879206
Energy: 1.6020238614724727
Energy: 1.7473008178866336
Energy: 1.632156156899465
Energy: 1.9383884575162926
Energy: 1.5818521215846317
Energy: 1.938388457515649
Energy: 1.622312371054212
Energy: 1.777038888584382
Energy: 1.6100027110354966
Energy: 1.777038888584382

minimum gb energy = 1.577687571214049 eV
minimum distance =  2.30024818330269 Angstroms
sigma value = 89


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

Energy: 1.5072093586709816
Energy: 1.5043672610626204
Energy: 1.5625162013096958
Energy: 1.5043672610626204
Energy: 1.4958186633276196
Energy: 1.542682414198126
Energy: 1.4988288796645564
Energy: 1.542682414198126
Energy: 1.4970097187029032
Energy: 1.7592662204051017
Energy: 2.155470776211649
Energy: 1.7592662204051017
Energy: 1.4717986972802166
Energy: 1.54250423578749
Energy: 1.4979515071263811
Energy: 1.54250423578749
Energy: 1.4962069048274245
Energy: 1.6317512647840064
Energy: 1.5019572873233145
Energy: 1.6317512647840064
Energy: 1.507110872753145
Energy: 1.4921879509395701
Energy: 1.493778656061637
Energy: 1.4921879509395701
Energy: 1.4972582601991715
Energy: 1.7589862058501495
Energy: 1.4914163149993054
Energy: 1.7589862058501495
Energy: 1.4658403021659727
Energy: 1.621430688970655
Energy: 1.4980989980176715
Energy: 1.621430688970655
Energy: 1.5078006260609362
Energy: 1.6277899377824983
Energy: 1.471283049731044
Energy: 1.6277899377824983
Energy: 1.5427573000891943
Energy: 1.4918893983458095
Energy: 1.4967678233580721
Energy: 1.4918893983491774
Energy: 1.4913574597931505
Energy: 1.550074020065717
Energy: 1.4973984450079625
Energy: 1.550074020065717
Energy: 1.4913501006615237
Energy: 1.754333739996059
Energy: 1.4995809539384406
Energy: 1.754333739996059
Energy: 1.4970660343930773
Energy: 1.4935135451186892
Energy: 1.4653359509107922
Energy: 1.4935135451186892
Energy: 1.4962583754698717
Energy: 1.628770189912381
Energy: 1.4966602648418643
Energy: 1.628770189912381
Energy: 1.4708816942272844
Energy: 1.4934775704462793
Energy: 1.4970747124559054
Energy: 1.4934775704462793

minimum gb energy = 1.4653359509107922 eV
minimum distance =  2.32598822938392 Angstroms
sigma value = 13


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

Energy: 1.454307530289921
Energy: 1.3823235336722806
Energy: 1.7522124496767393
Energy: 1.382323533671575
Energy: 1.6840452845861467
Energy: 1.4188704136571384
Energy: 1.3714248725195608
Energy: 1.4188704136585502
Energy: 1.38522471361044
Energy: 1.3827505360492103
Energy: 1.6743572845532415
Energy: 1.3827505360541514
Energy: 1.3891305602755688
Energy: 1.4186137126227711
Energy: 1.3633321931614697
Energy: 1.4186137126185359
Energy: 1.3974532191986813
Energy: 1.4877476929906193
Energy: 1.3974810921852363
Energy: 1.487747692996202
Energy: 1.3729168848285829
Energy: 1.4186316581606608
Energy: 1.4075849462822836
Energy: 1.418631658157837
Energy: 1.3976646193389453
Energy: 1.4919891340234568
Energy: 1.6973156173238027
Energy: 1.4919891340333389
Energy: 1.357508478396533
Energy: 1.4189576147961078
Energy: 1.4077147912290915
Energy: 1.4189576147982255
Energy: 1.3977336435068866
Energy: 1.4920443959652867
Energy: 1.7933347129068251
Energy: 1.4920443959702279
Energy: 1.6977664723508088
Energy: 1.521661995645108
Energy: 1.3635497870751356
Energy: 1.5216619956359316
Energy: 1.3974187440384418
Energy: 1.5264702769359706
Energy: 1.3867690722004287
Energy: 1.5264702769366763
Energy: 1.6910256780485122
Energy: 1.5224277483476543
Energy: 1.3623036656857432
Energy: 1.5224277483511834
Energy: 1.45132424886215
Energy: 1.4137191955359194
Energy: 1.383363733675152
Energy: 1.4137191955316841
Energy: 1.9527200983481732
Energy: 1.522837699652248
Energy: 1.362544747882662
Energy: 1.5228376996593067
Energy: 1.397463551670821
Energy: 1.383010665223935
Energy: 1.3700391245941708
Energy: 1.3830106652274643
Energy: 1.3989195961473342
Energy: 1.5233450736068468
Energy: 1.3687760131078246
Energy: 1.5233450736011998
Energy: 1.3943028877594839
Energy: 1.3818242902011149
Energy: 1.369061258465186
Energy: 1.3818242902074673
Energy: 1.3929319051281737
Energy: 1.487250296866401
Energy: 1.4187325113534126
Energy: 1.4872502968649892
Energy: 1.3948678094468099
Energy: 1.4133741628615666
Energy: 1.4160128704510127
Energy: 1.4133741628566256
Energy: 1.3948554671120077
Energy: 1.4132850836786686
Energy: 1.4160086248437511
Energy: 1.4132850836680806
Energy: 1.3931794396200878
Energy: 1.4874361049627207
Energy: 1.415312244430482
Energy: 1.4874361049627207
Energy: 1.3941009676430485
Energy: 1.3818062698004037
Energy: 1.3692972725969392
Energy: 1.3818062698018152
Energy: 1.3988121752407332
Energy: 1.523019750780237
Energy: 1.3690180275561818
Energy: 1.5230197507837664
Energy: 1.3974549676808563
Energy: 1.3827618568206983
Energy: 1.3726435200634242
Energy: 1.3827618568206983
Energy: 1.952702273953342
Energy: 1.5229561172958492
Energy: 1.3625984788429044
Energy: 1.52295611729232
Energy: 1.4516192545220965
Energy: 1.4140261023100253
Energy: 1.3768098158798587
Energy: 1.414026102302261
Energy: 1.691062979511665
Energy: 1.5222076753365785
Energy: 1.3623042785241404
Energy: 1.5222076753302258
Energy: 1.3976286297261729
Energy: 1.526461211858644
Energy: 1.3770659105746914
Energy: 1.526461211860762
Energy: 1.6977769765196964
Energy: 1.5216279214473554
Energy: 1.3635586793960137
Energy: 1.5216279214508848
Energy: 1.3977654130096975
Energy: 1.4919836001292295
Energy: 1.6833385325135761
Energy: 1.4919836001327584
Energy: 1.3575840406923148
Energy: 1.418956359045037
Energy: 1.407631281268923
Energy: 1.418956359033807
Energy: 1.397530739924951
Energy: 1.4918242133152615
Energy: 1.9568158702893317
Energy: 1.4918242133145558
Energy: 1.3602812430895401
Energy: 1.4188143708018441
Energy: 1.4078435660322453
Energy: 1.418814370807427
Energy: 1.3975887994169953
Energy: 1.4879472377754512
Energy: 1.431664816540162
Energy: 1.4879472377733336
Energy: 1.3894140484357236
Energy: 1.4183973000283834
Energy: 1.3633803724799092
Energy: 1.4183973000192072

minimum gb energy = 1.357508478396533 eV
minimum distance =  2.33679399805325 Angstroms
sigma value = 37


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

Energy: 1.5950458516447947
Energy: 1.3647350944383523
Energy: 1.6196668791801763
Energy: 1.3647350944383523
Energy: 1.5665927850546133
Energy: 1.3263908791762904
Energy: 1.251958522205332
Energy: 1.3263908791762904
Energy: 1.5269601993029616
Energy: 1.7951465963054984
Energy: 1.8146053737790167
Energy: 1.795146596306713
Energy: 1.4906407953164709
Energy: 1.3256128339937794
Energy: 1.2693763658808903
Energy: 1.3256128339949935
Energy: 1.2675847562088007
Energy: 1.3279857317495078
Energy: 1.4950970634729472
Energy: 1.3279857317507222
Energy: 1.2539875842789874
Energy: 1.3266181584903642
Energy: 1.5099729273426128
Energy: 1.3266181584915786
Energy: 1.251924163441762
Energy: 2.229780785500688
Energy: 1.5677384840718813
Energy: 2.229780785499474
Energy: 1.245008705615242
Energy: 1.3263885340981314
Energy: 1.3281116510322055
Energy: 1.3263885340981314
Energy: 1.2527242564676784
Energy: 1.3278983539354232
Energy: 1.5434240713151637
Energy: 1.3278983539329943
Energy: 1.8165580957378162
Energy: 1.3250202978008092
Energy: 1.509993092804537
Energy: 1.3250202978020234
Energy: 1.2679386531713484
Energy: 1.4344398793080675
Energy: 1.5090382640290187
Energy: 1.4344398793092816
Energy: 1.8461302354080575
Energy: 1.3254512240202652
Energy: 1.2690492976739467
Energy: 1.325451224019051
Energy: 1.51073533228938
Energy: 1.3273854973361028
Energy: 1.4673934404081848
Energy: 1.327385497337317
Energy: 1.9737985598306682
Energy: 2.1976223159796398
Energy: 1.247316258484107
Energy: 2.1976223159784256
Energy: 1.5916588630602084
Energy: 1.39399027241835
Energy: 1.2482372968065054
Energy: 1.39399027241835
Energy: 1.5913816353305292
Energy: 1.3250465850982516
Energy: 1.2505359576686594
Energy: 1.3250465850994662
Energy: 1.5105798798528849
Energy: 1.324990001779183
Energy: 1.2311120271069267
Energy: 1.3249900017779688
Energy: 1.508066017813078
Energy: 1.4343228722954173
Energy: 1.266704272200916
Energy: 1.4343228722942025
Energy: 1.2682315376419424
Energy: 1.326614874011936
Energy: 1.266367773919488
Energy: 1.3266148740107215
Energy: 1.2660589615971558
Energy: 1.324902043686968
Energy: 1.5081332681646447
Energy: 1.324902043686968

minimum gb energy = 1.2311120271069267 eV
minimum distance =  2.34252361089784 Angstroms
sigma value = 25


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

Energy: 1.1984710094582065
Energy: 1.1229091165323133
Energy: 1.8866254688385067
Energy: 1.1229091165332616
Energy: 1.5102357118186651
Energy: 1.1567751960743848
Energy: 1.126567677538667
Energy: 1.1567751960743848
Energy: 1.121907359525748
Energy: 1.1211658503913355
Energy: 1.9517162428224168
Energy: 1.1211658503913355
Energy: 1.116592573189021
Energy: 1.1546520156723317
Energy: 1.1265371789668766
Energy: 1.1546520156723317
Energy: 1.1247963539668562
Energy: 1.1559765719397885
Energy: 1.0887526395812783
Energy: 1.1559765719397885
Energy: 1.0786194299563732
Energy: 1.1552334826404482
Energy: 1.1263994616911526
Energy: 1.1552334826395
Energy: 1.126877278212285
Energy: 1.1210708955875608
Energy: 1.118043712025725
Energy: 1.1210708955866127
Energy: 1.0692480859663454
Energy: 1.1979387693235939
Energy: 1.122384581687464
Energy: 1.1979387693169556
Energy: 1.1248955385907786
Energy: 1.1563313053465194
Energy: 1.8594858619978514
Energy: 1.1563313053465194
Energy: 1.0788186507384192
Energy: 1.1211700259186836
Energy: 1.198135329629369
Energy: 1.1211700259158388
Energy: 1.1271558143011307
Energy: 1.1211566461540696
Energy: 1.8575942426842174
Energy: 1.1211566461540696
Energy: 1.5426672908012955
Energy: 1.6092586338918544
Energy: 1.1224074968975934
Energy: 1.6092586338928028
Energy: 1.1249916809967153
Energy: 1.156073183728718
Energy: 1.8299196214134779
Energy: 1.1560731837277693
Energy: 1.564274435317836
Energy: 1.2425948641608264
Energy: 1.1265365051787077
Energy: 1.2425948641532403
Energy: 1.1268380120168977
Energy: 1.1210928524020782
Energy: 1.078805512849779
Energy: 1.1210928524020782
Energy: 1.554102570070022
Energy: 1.3164513619820597
Energy: 1.126901086689004
Energy: 1.3164513619905944
Energy: 1.1246952370993173
Energy: 1.198076643216067
Energy: 1.066736253511875
Energy: 1.198076643216067
Energy: 1.5244203860768775
Energy: 1.1547239780287115
Energy: 1.1266861678801197
Energy: 1.1547239780325047
Energy: 1.1997043262256948
Energy: 1.1218369564837274
Energy: 1.0798767624494607
Energy: 1.121836956484676
Energy: 1.8663766553316645
Energy: 1.3174901519468682
Energy: 1.1267689791497226
Energy: 1.3174901519468682
Energy: 1.1247926818438427
Energy: 1.9473915133319932
Energy: 1.0664924967343923
Energy: 1.9473915133319932
Energy: 1.1271402405275062
Energy: 1.1565805052406435
Energy: 1.126754591694818
Energy: 1.156580505238747
Energy: 1.127191189173756
Energy: 1.1209183608955273
Energy: 1.561592446152671
Energy: 1.1209183608955273
Energy: 1.0840251948680015
Energy: 1.3155833173910314
Energy: 1.1271715804958733
Energy: 1.3155833173900835
Energy: 1.1265384763452333
Energy: 1.9184827208476254
Energy: 1.5558945371876567
Energy: 1.9184827208485735
Energy: 1.0780281001128356
Energy: 1.1980549179873083
Energy: 1.1271104214586212
Energy: 1.1980549179882565

minimum gb energy = 1.0664924967343923 eV
minimum distance =  2.3441615468072 Angstroms
sigma value = 41


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

Energy: 1.661361405340895
Energy: 1.0294077602037812
Energy: 1.407189169153987
Energy: 1.0294077602053362
Energy: 1.652088251125077
Energy: 1.0039310269920547
Energy: 0.9872600401358815
Energy: 1.0039310269912771
Energy: 1.0276005488872977
Energy: 0.9855311478237896
Energy: 0.9543648660170435
Energy: 0.9855311478230122
Energy: 1.3225700268903653
Energy: 1.0041502362298704
Energy: 0.9874351375948583
Energy: 1.004150236225983
Energy: 0.9830153810146635
Energy: 1.0564012096965951
Energy: 0.9784341089599329
Energy: 1.0564012096965951
Energy: 0.9922296934200046
Energy: 1.0048790163152401
Energy: 0.9872170201694699
Energy: 1.0048790163144627
Energy: 0.9864914634798435
Energy: 1.004283847984592
Energy: 0.9924712077452712
Energy: 1.0042838479838143
Energy: 0.9581516545416627
Energy: 1.0276462619826001
Energy: 0.9842933262252682
Energy: 1.0276462619810454
Energy: 0.989533603927647
Energy: 1.0317243099751527
Energy: 1.4800637393503864
Energy: 1.031724309967378
Energy: 0.9643677533735779
Energy: 0.9858469025507526
Energy: 1.0284591587733296
Energy: 0.9858469025499752
Energy: 0.9865540548591991
Energy: 1.004094628008542
Energy: 1.8962042948615014
Energy: 1.004094628008542
Energy: 0.9656414795419971
Energy: 1.0294355229754384
Energy: 1.6589104734470435
Energy: 1.0294355229762158
Energy: 0.9894411685701168
Energy: 1.4282687627008208
Energy: 2.024212064819658
Energy: 1.4282687627008208
Energy: 1.3549322813617612
Energy: 1.1279146203587316
Energy: 1.028381765425408
Energy: 1.1279146203478476
Energy: 0.9864161995145496
Energy: 1.0039542530803718
Energy: 1.6311170560798287
Energy: 1.0039542530803718
Energy: 1.3739817547585755
Energy: 1.0290283245099663
Energy: 0.9841348103487705
Energy: 1.0290283245091887
Energy: 0.9895577595525638
Energy: 1.4263970951524054
Energy: 1.4640242388485103
Energy: 1.4263970951524054
Energy: 1.3663652299791023
Energy: 1.1283891230541259
Energy: 0.987562526101006
Energy: 1.1283891230580132
Energy: 0.9863372767606586
Energy: 1.0273808756512852
Energy: 0.9596260630582744
Energy: 1.0273808756497302
Energy: 1.3867458765435794
Energy: 1.028876934936383
Energy: 0.9931648939969994
Energy: 1.0288769349410478
Energy: 1.0306233344011975
Energy: 1.4268934680451968
Energy: 0.9540835591846464
Energy: 1.426893468046752
Energy: 1.896063115997673
Energy: 1.4162752587405047
Energy: 0.9874525990824337
Energy: 1.4162752587436145
Energy: 1.6543532456849637
Energy: 1.0268038831456716
Energy: 0.9594539895890921
Energy: 1.0268038831456716
Energy: 1.647977549765763
Energy: 1.426330036333256
Energy: 0.9936109005931264
Energy: 1.426330036333256
Energy: 1.0305444644137145
Energy: 1.1284916897328026
Energy: 0.9668712963244321
Energy: 1.1284916897320252
Energy: 1.6252529065801082
Energy: 1.797110846479939
Energy: 0.9873545348833817
Energy: 1.797110846481494
Energy: 0.986353978944134
Energy: 1.0271239076603438
Energy: 1.368868363938153
Energy: 1.0271239076611212
Energy: 0.9973186237578133
Energy: 1.426211915648701
Energy: 0.9933383022819616
Energy: 1.4262119156471458
Energy: 0.9898462695532227
Energy: 1.1273303865685
Energy: 1.3612786122151581
Energy: 1.1273303865638353
Energy: 0.9734154496915842
Energy: 1.0898632690762937
Energy: 0.990477961329899
Energy: 1.0898632690794035
Energy: 0.9933059052509617
Energy: 1.0267884985144786
Energy: 1.3811016394054265
Energy: 1.026788498513701
Energy: 0.9588563964526584
Energy: 1.4261743135411553
Energy: 1.033859899222385
Energy: 1.4261743135403777

minimum gb energy = 0.9540835591846464 eV
minimum distance =  2.32677358753337 Angstroms
sigma value = 15


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

Energy: 1.4885123683666401
Energy: 0.9172923856853943
Energy: 1.3241325514154612
Energy: 0.9172923856873701
Energy: 1.695077297215207
Energy: 0.9140428363952648
Energy: 0.9145719028538187
Energy: 0.9140428363998752
Energy: 0.9506847806272581
Energy: 0.9127053468141798
Energy: 1.7897622541843454
Energy: 0.9127053468148385
Energy: 1.4656436168104194
Energy: 0.9135686340500128
Energy: 0.9147964435473241
Energy: 0.9135686340486956
Energy: 0.911405281658016
Energy: 0.917128768548373
Energy: 0.8898572031872601
Energy: 0.9171287685753162
Energy: 1.182329693721246
Energy: 0.9128642316120563
Energy: 0.914277680920381
Energy: 0.9128642316028956
Energy: 0.9139197024063038
Energy: 0.9305201498451154
Energy: 0.8993009563685911
Energy: 0.930520149845774
Energy: 0.8990203927210588
Energy: 0.9311418416923757
Energy: 0.9144808706008387
Energy: 0.9311418416903998
Energy: 0.9158808417105191
Energy: 0.9336439751811175
Energy: 1.3187129622550344
Energy: 0.9336439751798004
Energy: 0.8877114708438103
Energy: 0.9139068304882114
Energy: 0.9120853248311099
Energy: 0.9139068304868943
Energy: 0.9139157719706811
Energy: 0.9134159763674369
Energy: 1.4656969456590092
Energy: 0.9134159763700713
Energy: 0.8703077889519881
Energy: 0.9129085435307734
Energy: 0.9513604803782338
Energy: 0.9129085435294562
Energy: 0.9162405560162463
Energy: 0.9333076559693658
Energy: 1.803509199331842
Energy: 0.9333076559687071
Energy: 0.8847558702205132
Energy: 0.9137575107643844
Energy: 1.4859811392568343
Energy: 0.9137575107643844
Energy: 0.9138828527072759
Energy: 0.9129284125812684
Energy: 1.9119709532209355
Energy: 0.9129284125819271
Energy: 1.209616729259284
Energy: 0.9129569966245549
Energy: 0.951152057969601
Energy: 0.9129569966252136
Energy: 0.9163675190944529
Energy: 0.9325596057779693
Energy: 1.7930785452226243
Energy: 0.9325596057759933
Energy: 1.2307587747802644
Energy: 0.912284506413269
Energy: 0.9120598055070295
Energy: 0.9122845064080002
Energy: 0.913605516087688
Energy: 0.9122932776640726
Energy: 1.452355869547092
Energy: 0.9122932776232388
Energy: 1.2242833633688806
Energy: 0.9141521975058705
Energy: 0.91448043650396
Energy: 0.9141521975045532
Energy: 0.9158480155980778
Energy: 0.9510706521691545
Energy: 1.3079900781516822
Energy: 0.9510706521520307
Energy: 1.2426023566585769
Energy: 0.9310405083779684
Energy: 0.9186532168429886
Energy: 0.9310405083806028
Energy: 0.9137820133903053
Energy: 0.9127833557868864
Energy: 0.8874001288553293
Energy: 0.9127833557473696
Energy: 1.7618069589430738
Energy: 0.9136408331565731
Energy: 0.9141650495518906
Energy: 0.9136408331545972
Energy: 0.9529651177702387
Energy: 0.9511080527496726
Energy: 0.8660768412579252
Energy: 0.9511080527509898
Energy: 1.7058444002686282
Energy: 0.9313123454713673
Energy: 0.9187144171157104
Energy: 0.9313123454865153
Energy: 1.482900350183857
Energy: 0.9130085270409889
Energy: 0.8837795471661493
Energy: 0.913008527039013
Energy: 1.9110888874726168
Energy: 0.9135420473489861
Energy: 0.9144723807765488
Energy: 0.9135420473582067
Energy: 0.9528597063801456
Energy: 0.9514417948460254
Energy: 0.870035538638107
Energy: 0.9514417948440496
Energy: 1.4687488052896072
Energy: 0.9322081164912395
Energy: 0.9186435135072174
Energy: 0.9322081164892637
Energy: 0.9138112895042759
Energy: 0.9121070126150084
Energy: 1.2271115159328783
Energy: 0.9121070126222531
Energy: 1.4471344324280224
Energy: 0.912885357950442
Energy: 0.9146063477593099
Energy: 0.9128853579478077
Energy: 0.9162381757253657
Energy: 0.951078992523816
Energy: 1.2229201343939513
Energy: 0.9510789923006662
Energy: 0.9055870113725097
Energy: 0.9512381282686426
Energy: 0.9186472102714731
Energy: 0.9512381282693011
Energy: 0.888556460593642
Energy: 0.9120314863921959
Energy: 1.2359405247239907
Energy: 0.9120314864751211
Energy: 0.8840807324621779
Energy: 0.9128833162196826
Energy: 0.9168964378378619
Energy: 0.9128833162170482
Energy: 0.9161223326309518
Energy: 1.0385791520193517
Energy: 1.7568425303445085
Energy: 1.0385791520213274

minimum gb energy = 0.8660768412579252 eV
minimum distance =  2.33858982984331 Angstroms
sigma value = 85


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

Energy: 1.5073038277387945
Energy: 0.9152257476694116
Energy: 0.7769493642365314
Energy: 0.9152257500211846
Energy: 1.8386170009911322
Energy: 0.8976253603549547
Energy: 0.8406881795919813
Energy: 0.8976253603578107
Energy: 1.453904537236013
Energy: 0.9099129219054495
Energy: 0.822670103462965
Energy: 0.9099129219043072
Energy: 1.6379202523685281
Energy: 0.8930033015412691
Energy: 0.8406950039097296
Energy: 0.8930033015389842
Energy: 1.019414220367342
Energy: 0.8532827798488092
Energy: 0.9229976182134157
Energy: 0.8532827798493804
Energy: 1.4352304880247042
Energy: 0.9080414865368834
Energy: 0.8404501936715102
Energy: 0.9080414865380259
Energy: 0.9668276039684878
Energy: 0.9231079849470856
Energy: 0.956655869142875
Energy: 0.9231079849465144
Energy: 1.1840365109872288
Energy: 0.8908547079486779
Energy: 0.8536279801467409
Energy: 0.8908547079475355
Energy: 0.8528904437425088
Energy: 0.8630180239971841
Energy: 1.2982713893519164
Energy: 0.8630180240291722
Energy: 0.9559878823529202
Energy: 0.9102127774768902
Energy: 0.9654427853823372
Energy: 0.9102127774780328
Energy: 0.8424576061575924
Energy: 0.8920992229839219
Energy: 1.4356315237321107
Energy: 0.8920992229850643
Energy: 0.9033151377542938
Energy: 0.8991091569150316
Energy: 1.0179405862618098
Energy: 0.8991091569156028
Energy: 0.8401673582154178
Energy: 0.8629340817746513
Energy: 1.727240546863692
Energy: 0.862934081776936
Energy: 0.7770869707579929
Energy: 0.909443736444705
Energy: 1.4521373418675176
Energy: 0.909443736441849
Energy: 0.8424935097876335
Energy: 0.8922835604253871
Energy: 2.000852506698291
Energy: 0.8922835604259584
Energy: 0.7760795017890152
Energy: 0.899064141747289
Energy: 1.3885731689026284
Energy: 0.8990641417455754
Energy: 0.8402045231760993
Energy: 0.8643775224975425
Energy: 1.9919794691005852
Energy: 0.8643775224964002
Energy: 1.0594034696743517
Energy: 0.9094729334242658
Energy: 1.4520730201147394
Energy: 0.9094729334242658
Energy: 0.8423487794408143
Energy: 0.8927115257972693
Energy: 1.7944044205897853
Energy: 0.8927115257966982
Energy: 1.0800262660888469
Energy: 0.8908492492552242
Energy: 1.0177371537590563
Energy: 0.8908492492780468
Energy: 0.8408853427287031
Energy: 0.8775035762714373
Energy: 1.682650118697015
Energy: 0.8775035762697235
Energy: 1.2004912568886568
Energy: 0.8921273483989572
Energy: 0.9655096907243663
Energy: 0.892127348400671
Energy: 0.8550436733218625
Energy: 0.890773090981301
Energy: 1.3814538603345856
Energy: 0.8907730909778737
Energy: 1.2249509085817667
Energy: 0.9220354863582593
Energy: 0.8540963272695286
Energy: 0.9220354863594017
Energy: 0.9649531574268669
Energy: 0.8905799549310538
Energy: 1.2711509851350715
Energy: 0.8905799549304825
Energy: 1.6675405742728495
Energy: 0.8923372120081454
Energy: 0.8449917765992699
Energy: 0.8923372120052894
Energy: 1.0175402418770418
Energy: 0.8907068451004843
Energy: 0.9030832043724215
Energy: 0.8907068450999132
Energy: 1.6858282429959246
Energy: 0.9219174000784219
Energy: 0.840738318088307
Energy: 0.9219174000772794
Energy: 1.449640484477543
Energy: 0.9069806552468604
Energy: 0.896569559614271
Energy: 0.9069806552485741
Energy: 2.001015229260543
Energy: 0.8922803040674926
Energy: 0.8420507189930699
Energy: 0.8922803040766321
Energy: 1.5027385223177177
Energy: 0.907029124705621
Energy: 0.7816807996194691
Energy: 0.907029124705621
Energy: 1.8268164301219794
Energy: 0.9217215275352797
Energy: 0.8408451086811456
Energy: 0.9217215275358508
Energy: 1.450002112639266
Energy: 0.9069989431761214
Energy: 0.772518264782964
Energy: 0.9069989431784063
Energy: 1.7941643348442822
Energy: 0.8926468780314086
Energy: 0.8451901170324668
Energy: 0.8926468780302662
Energy: 1.0174400556028436
Energy: 0.8905504069787763
Energy: 1.0803358349880436
Energy: 0.8905504069810612
Energy: 1.4103743862911573
Energy: 0.938973325714136
Energy: 0.8426624725602888
Energy: 0.9389733257130195
Energy: 0.9650059816267288
Energy: 0.8904553879093304
Energy: 1.2010227493790442
Energy: 0.8904553879076168
Energy: 1.3816791927533725
Energy: 0.8904940029504443
Energy: 0.8556627730839108
Energy: 0.8904940029510157
Energy: 0.8540096728411021
Energy: 0.8904530343293013
Energy: 1.2237931880079604
Energy: 0.8904530343293013
Energy: 0.9266657744640255
Energy: 0.9550309906541877
Energy: 0.966839792594525
Energy: 0.9550309906553301
Energy: 0.8403238454392953
Energy: 0.8903683873928088
Energy: 1.6665602833714686
Energy: 0.8903683873922377
Energy: 0.9018024441890005
Energy: 0.8904075208321184
Energy: 1.0191639992274695
Energy: 0.8904075208326895
Energy: 0.8425344821897053
Energy: 0.8906555566653586
Energy: 1.685657127008133
Energy: 0.8906555566625025

minimum gb energy = 0.772518264782964 eV
minimum distance =  2.34331828100977 Angstroms
sigma value = 113


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

Energy: 0.0185566565991874
Energy: 0.020820173053125536
Energy: 2.284828744948727
Energy: 0.020820173053125536
Energy: 1.0201216386711145
Energy: 0.407692798253291
Energy: 0.4074141109522739
Energy: 0.4076927982554378
Energy: 0.018556656598748278
Energy: 0.020820173053125536
Energy: 3.0859658532652383
Energy: 0.020820173053564657
Energy: 1.0201216386711145
Energy: 0.407692798253291
Energy: 0.40741407474943137
Energy: 0.4076927982554378
Energy: 0.01855665659830916
Energy: 0.020820173053564657
Energy: 1.020303631803518
Energy: 0.020820173053564657
Energy: 1.0201216386711145
Energy: 0.407692798253291
Energy: 0.40741408496928955
Energy: 0.4076927982554378

minimum gb energy = 0.01855665659830916 eV
minimum distance =  2.55918958867087 Angstroms
sigma value = 1