Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973
cohesive_energy=4.427798539389678
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0950862754501e-19, 2.94308632429362e-19, 3.5815216694099394e-19, 4.0977109373520595e-19, 4.5295135619814e-19, 4.898046231334079e-19, 5.216558946173279e-19, 5.49412002624744e-19, 5.73718624339158e-19, 5.950660258105739e-19, 6.13830718547982e-19, 6.30309105228672e-19, 6.44746318877646e-19, 6.573426315741539e-19, 6.68264669688132e-19, 6.776518225867379e-19, 6.856306622240579e-19, 6.92302125728034e-19, 6.977591393434381e-19, 7.020818119019699e-19, 7.053438435287939e-19, 7.076061169360019e-19, 7.089263104824179e-19, 7.0935569382033e-19, 7.08894266949738e-19, 7.074042426801179e-19, 7.04706177228462e-19, 7.00582174572546e-19, 6.947774886275639e-19, 6.869845014797879e-19, 6.76836314680032e-19, 6.63881114417508e-19, 6.475757628132899e-19, 6.272537543876339e-19, 6.020899681740299e-19, 5.71059011126718e-19, 5.3287593758523e-19, 4.859161404426899e-19, 4.28099994428166e-19, 3.5673904714980596e-19, 2.68314918719346e-19, 1.58158065336993e-19, 1.9964562818610598e-20, -1.5491862440070838e-19, -3.7862638214687997e-19, -6.685706854252259e-19, -1.05045909919893e-18, -1.563456831286122e-18, -2.2693390061639397e-18, -3.2702828364890998e-18, -4.74696097474788e-18, -6.990376762973698e-18, -8.06833722409524e-18]
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: -0.0225496501540919 eV

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

Energy: 0.01801026841662812
Energy: 0.018309576195639995
Energy: 0.9483016352830062
Energy: 1.9313243553768484
Energy: 0.01830957619497846
Energy: 1.2726677939176714
Energy: 1.9313229806680408
Energy: 1.2726677939157602
Energy: 0.9483016352823447
Energy: 1.9313222149580833
Energy: 0.01801026841662812
Energy: 0.01830957619497846
Energy: 1.931324301644145
Energy: 1.2726677939163848
Energy: 0.018309576195639995
Energy: 1.2726677939183328

minimum gb energy = 0.01801026841662812 eV
minimum distance =  2.48109257531546 Angstroms
sigma value = 1


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

Energy: 1.7899459081160092
Energy: 1.1565280581545285
Energy: 1.2320627869857745
Energy: 1.228482336833111
Energy: 1.2124496006970311
Energy: 1.2801167736633716
Energy: 1.1841402529659146
Energy: 1.2801167736633716
Energy: 1.230587250859861
Energy: 1.2287830213642545
Energy: 1.182347712744823
Energy: 1.2287830213642545
Energy: 1.18776471144568
Energy: 1.3417981890513913
Energy: 1.184266277929451
Energy: 1.3417981890521935
Energy: 1.667379382699517
Energy: 1.1822986424628052
Energy: 1.181774141302329
Energy: 1.1822986424628052
Energy: 1.2642131633850893
Energy: 1.2585322550321094
Energy: 1.1826416759181109
Energy: 1.2585322550329117
Energy: 1.2559589589955846
Energy: 1.3124203240922887
Energy: 1.2541446261321618
Energy: 1.3124203240922887
Energy: 1.254463376600932
Energy: 1.312274796698808
Energy: 1.2976838286647503
Energy: 1.3122747966996107
Energy: 1.2801237480036292
Energy: 1.4085449693218295
Energy: 1.28012420641217
Energy: 1.408544969322632
Energy: 1.2956527301618639
Energy: 1.3705741041738841
Energy: 1.2808471064963711
Energy: 1.3705741041754889
Energy: 1.2763134805414627
Energy: 1.4082425994171353
Energy: 1.2809853072963906
Energy: 1.4082425994171353
Energy: 1.2551716162158852
Energy: 1.406062637333829
Energy: 1.2971832522317985
Energy: 1.4060626373322245
Energy: 1.2792301995957474
Energy: 1.3123734046536941
Energy: 1.2110243195582457
Energy: 1.3123734046569033
Energy: 1.264337088513287
Energy: 1.3118522176838792
Energy: 1.256450857881467
Energy: 1.3118522176814724
Energy: 1.2117685636525222
Energy: 1.181670162853777
Energy: 1.1819765727101361
Energy: 1.1816701628521724
Energy: 1.225658059503621
Energy: 1.1821666643747044
Energy: 1.183539891463883
Energy: 1.1821666643739022
Energy: 1.2312573563224953
Energy: 1.2284272412236545
Energy: 1.15395418762854
Energy: 1.2284272412244568
Energy: 1.1843754334794636
Energy: 1.1873698202474061
Energy: 1.2132578234172962
Energy: 1.1873698202449992
Energy: 1.1823092113984464
Energy: 1.229113499095893
Energy: 1.2306024057582747
Energy: 1.2291134990966954
Energy: 1.2637101745514212
Energy: 1.1865050814545666
Energy: 1.1863254350791084
Energy: 1.186505081453764
Energy: 1.1825862963176885
Energy: 1.1818314572411601
Energy: 1.2622391026458053
Energy: 1.1818314572427646
Energy: 1.1832197137595615
Energy: 1.183136325841131
Energy: 1.2643905172080951
Energy: 1.183136325843538
Energy: 1.2536509076825566
Energy: 1.3118391879459357
Energy: 1.253343255047805
Energy: 1.3118391879451334
Energy: 1.2978843248929492
Energy: 1.31202505649038
Energy: 1.2559136389831744
Energy: 1.3120250564879732
Energy: 1.2802460935325979
Energy: 1.406007251921024
Energy: 1.2798219224413492
Energy: 1.4060072519234308
Energy: 1.2824340416294733
Energy: 1.4048181256126597
Energy: 1.2981693092979723
Energy: 1.404818125611055
Energy: 1.2804894201652868
Energy: 1.4053931733287268
Energy: 1.276162054832541
Energy: 1.4053931733287268
Energy: 1.2987692680015643
Energy: 1.4100867153793286
Energy: 1.2868798578327523
Energy: 1.410086715380131
Energy: 1.210582742211463
Energy: 1.3122534009679938
Energy: 1.2800348374144972
Energy: 1.3122534009687963
Energy: 1.2565832428747181
Energy: 1.3120885364627013
Energy: 1.2640639044281554
Energy: 1.312088536461899
Energy: 1.1811615068614605
Energy: 1.181452461750519
Energy: 1.211898728344479
Energy: 1.1814524617513213
Energy: 1.1826943546503565
Energy: 1.1819524027941797
Energy: 1.2267506905002188
Energy: 1.1819524027957842
Energy: 1.153066539061474
Energy: 1.2282524163466682
Energy: 1.232824386067704
Energy: 1.2282524163466682

minimum gb energy = 1.153066539061474 eV
minimum distance =  2.20360163840578 Angstroms
sigma value = 1


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

Energy: 2.021351012188941
Energy: 1.2103133514237383
Energy: 1.2925882594337161
Energy: 1.2912901924161095
Energy: 1.2805902281058357
Energy: 1.3436235070723823
Energy: 1.2422824311869407
Energy: 1.3436235070760414
Energy: 1.2915051768843386
Energy: 1.2919413861603148
Energy: 1.2427914081440496
Energy: 1.2919413861575708
Energy: 1.2488229532990522
Energy: 1.4136737416656489
Energy: 1.242215193910152
Energy: 1.4136737416647345
Energy: 1.2426695412942272
Energy: 1.2421309041614623
Energy: 1.2425213988304975
Energy: 1.2421309041614623
Energy: 1.3392999030802322
Energy: 1.2432490104013936
Energy: 1.2415480996905823
Energy: 1.2432490104087115
Energy: 1.330672576340265
Energy: 1.3946051855820822
Energy: 1.3279093510526856
Energy: 1.3946051855765937
Energy: 1.3292466567222954
Energy: 1.3967662024427003
Energy: 1.3721465741062016
Energy: 1.3967662024427003
Energy: 1.327621846002927
Energy: 1.487443645580032
Energy: 1.3465226081511994
Energy: 1.487443645583691
Energy: 1.3739609772397547
Energy: 1.455551898485856
Energy: 1.3285182687474886
Energy: 1.4555518984776232
Energy: 1.2795008079998627
Energy: 1.3947743549365084
Energy: 1.3651562208618648
Energy: 1.394774354939211
Energy: 1.3288880528778866
Energy: 1.395129497014391
Energy: 1.3395495320794348
Energy: 1.3951294970134767
Energy: 1.24285344304209
Energy: 1.2419171449737914
Energy: 1.2799455120099839
Energy: 1.2419171449756208
Energy: 1.2427136502330147
Energy: 1.2422091320300843
Energy: 1.2894975591113413
Energy: 1.2422091320328286
Energy: 1.2050120950973686
Energy: 1.2909780210917499
Energy: 1.295113380062229
Energy: 1.2909780210899202
Energy: 1.2805291426754033
Energy: 1.2485759718752667
Energy: 1.2424765904902915
Energy: 1.2485759718807552
Energy: 1.291443360208647
Energy: 1.2925699549338794
Energy: 1.2608606863092233
Energy: 1.2925699549329643
Energy: 1.2477490175463974
Energy: 1.2485579814105856
Energy: 1.338732791211717
Energy: 1.2485579814124153
Energy: 1.2427368861640122
Energy: 1.2423808271176995
Energy: 1.2436834666733214
Energy: 1.2423808271149552
Energy: 1.3394064074114802
Energy: 1.242889124191848
Energy: 1.2431782943219272
Energy: 1.2428891241854452
Energy: 1.3276507626949274
Energy: 1.3946884971670723
Energy: 1.3263982468924558
Energy: 1.3946884971670723
Energy: 1.3293178847591511
Energy: 1.3949459297152706
Energy: 1.3729634447061831
Energy: 1.3949459297189295
Energy: 1.3282132539016867
Energy: 1.4882993118703693
Energy: 1.3456617775548394
Energy: 1.488299311867625
Energy: 1.3733142707861956
Energy: 1.4891573048397382
Energy: 1.360331601691373
Energy: 1.489157304840653
Energy: 1.2794945498497305
Energy: 1.395113516153321
Energy: 1.3665673982360056
Energy: 1.3951135161469177
Energy: 1.3289621328193224
Energy: 1.3954895147472033
Energy: 1.339947483867913
Energy: 1.3954895147462885
Energy: 1.2415551480393918
Energy: 1.2416020056421162
Energy: 1.281939647382072
Energy: 1.2416020056494341
Energy: 1.2427231250855615
Energy: 1.2421432862310409
Energy: 1.2898066181909673
Energy: 1.2421432862273818
Energy: 1.2050205552525617
Energy: 1.2918609867334778
Energy: 1.2975236995139448
Energy: 1.2918609867298605

minimum gb energy = 1.2050120950973686 eV
minimum distance =  2.2018117904148 Angstroms
sigma value = 25


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

Energy: 2.048161408066217
Energy: 1.3202996030646654
Energy: 1.375245915877496
Energy: 1.3734955000089604
Energy: 1.3422754017179974
Energy: 1.427111187140796
Energy: 1.3561985532608656
Energy: 1.4271111871397324
Energy: 1.3776227289191583
Energy: 1.3767881369106434
Energy: 1.292614138440359
Energy: 1.3767881369127701
Energy: 1.3362541300485482
Energy: 1.4273240231611422
Energy: 1.3292760470283964
Energy: 1.4273240231653959
Energy: 1.2910834226464072
Energy: 1.3287237585326592
Energy: 1.3289485497728064
Energy: 1.3287237585294691
Energy: 1.4458833094313936
Energy: 1.3293848115468698
Energy: 1.327739365707306
Energy: 1.329384811547933
Energy: 1.4052989684070074
Energy: 1.5101258858999203
Energy: 1.4245385489216353
Energy: 1.510125885902047
Energy: 1.4092344275790176
Energy: 1.514448987847248
Energy: 1.4815686811978273
Energy: 1.5144489878483112
Energy: 1.4095855485392554
Energy: 1.5383451394290415
Energy: 1.3432777296386527
Energy: 1.5383451394322316
Energy: 1.4423427380358167
Energy: 1.5403456724755213
Energy: 1.3697265343525686
Energy: 1.5403456724776479
Energy: 1.3148658654071117
Energy: 1.3884762215923625
Energy: 1.3875312847453587
Energy: 1.3884762215934259
Energy: 1.2978077552865515
Energy: 1.369957775258021
Energy: 1.388865308582467
Energy: 1.369957775258021
Energy: 1.273008894518147
Energy: 1.2727151861012265
Energy: 1.2596963247017545
Energy: 1.2727151860980364
Energy: 1.273000452082531
Energy: 1.2578182620760225
Energy: 1.3617444650446762
Energy: 1.2578182620770861
Energy: 1.2921475211392823
Energy: 1.4356066482441794
Energy: 1.4388121632037412
Energy: 1.4356066482473695
Energy: 1.454887630324
Energy: 1.370166502798789
Energy: 1.3699443089974266
Energy: 1.370166502798789
Energy: 1.3329272820015878
Energy: 1.340766041241488
Energy: 1.2908427882706277
Energy: 1.3407660412404245
Energy: 1.3328925466838675
Energy: 1.341062729150421
Energy: 1.426600286361628
Energy: 1.3410627291493575
Energy: 1.4246888173323042
Energy: 1.4909383191474896
Energy: 1.4328510971560413
Energy: 1.4909383191496164
Energy: 1.4800355417441367
Energy: 1.4914886246793462
Energy: 1.420755307889142
Energy: 1.4914886246825365
Energy: 1.3427965164134446
Energy: 1.5127667127649767
Energy: 1.4257898717437973
Energy: 1.512766712760723
Energy: 1.3444286887674644
Energy: 1.5187156458057625
Energy: 1.4466399986322933
Energy: 1.5187156458057625
Energy: 1.3260369376709018
Energy: 1.326113711229553
Energy: 1.3149728236007556
Energy: 1.3261137112284893
Energy: 1.3270932015607173
Energy: 1.3260689946562962
Energy: 1.3152081112319993
Energy: 1.3260689946573596
Energy: 1.3163077047019516
Energy: 1.3735378257279056
Energy: 1.3754927841633842
Energy: 1.373537825726842

minimum gb energy = 1.2578182620760225 eV
minimum distance =  2.18941313345284 Angstroms
sigma value = 9


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

Energy: 1.8025082817880245
Energy: 1.3279593723226761
Energy: 1.4368202980581344
Energy: 1.4359306346753566
Energy: 1.5129406603852884
Energy: 1.4801446817442925
Energy: 1.3927373560521303
Energy: 1.480144681743024
Energy: 1.4363468368640249
Energy: 1.4369972139300111
Energy: 1.4425263926693144
Energy: 1.4369972139287426
Energy: 1.403035102326284
Energy: 1.4810142074128039
Energy: 1.3927061620293328
Energy: 1.4810142074128039
Energy: 1.438150264563438
Energy: 1.3918750170907817
Energy: 1.3947942739002877
Energy: 1.3918750170882446
Energy: 1.5454546521621053
Energy: 1.3931666999633614
Energy: 1.3919707565584825
Energy: 1.3931666999633614
Energy: 1.4701923791601201
Energy: 1.5836644074828383
Energy: 1.4398364455172779
Energy: 1.58366440748157
Energy: 1.3938391004193331
Energy: 1.5856357138434027
Energy: 1.5449770649613375
Energy: 1.5856357138434027
Energy: 1.3915270165539284
Energy: 1.3926019475122782
Energy: 1.311579521878859
Energy: 1.3926019475122782
Energy: 1.3925611062124017
Energy: 1.3924869514648828
Energy: 1.3117097430886933
Energy: 1.3924869514661515
Energy: 1.3122312898381332
Energy: 1.4364863741860587
Energy: 1.4367194219031818
Energy: 1.4364863741873273
Energy: 1.4692604410616736
Energy: 1.4021759386482373
Energy: 1.4382492222604337
Energy: 1.4021759386482373
Energy: 1.4394133292795706
Energy: 1.4363133454908894
Energy: 1.4345533856604937
Energy: 1.4363133454908894
Energy: 1.4404155441517845
Energy: 1.4027835509950086
Energy: 1.5719252809164088
Energy: 1.4027835509924718
Energy: 1.4382463037452222
Energy: 1.3916031133232332
Energy: 1.39183919311264
Energy: 1.391603113324502
Energy: 1.5448953930391822
Energy: 1.3920797557068534
Energy: 1.3916466322607548
Energy: 1.3920797557093905
Energy: 1.4692357929959494
Energy: 1.5843260254612779
Energy: 1.440015631052091
Energy: 1.5843260254650837
Energy: 1.4696422787625385
Energy: 1.5821050631806095
Energy: 1.5482026301612606
Energy: 1.5821050631806095
Energy: 1.3903495816829519
Energy: 1.3924915310145902
Energy: 1.3120917584411629
Energy: 1.3924915310133215
Energy: 1.3924449436710553
Energy: 1.3918085245712615
Energy: 1.311744081157024
Energy: 1.3918085245737986
Energy: 1.312148060671418
Energy: 1.4408493669967173
Energy: 1.4412173709696918
Energy: 1.4408493669967173

minimum gb energy = 1.311579521878859 eV
minimum distance =  2.20842286105005 Angstroms
sigma value = 25


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

Energy: 1.6197530173554495
Energy: 1.3890358513991572
Energy: 1.5232849315910153
Energy: 1.5219946036237963
Energy: 1.532967748164521
Energy: 1.4992003460376302
Energy: 1.5229652200538033
Energy: 1.4992003460376302
Energy: 1.5228917570769045
Energy: 1.5230983309061092
Energy: 1.5192308493896356
Energy: 1.5230983309045405
Energy: 1.527199937344729
Energy: 1.4985460091059437
Energy: 1.4173264724058048
Energy: 1.4985460091059437
Energy: 1.4927040508013345
Energy: 1.496564643859342
Energy: 1.4970214645900293
Energy: 1.496564643859342
Energy: 1.377931374959321
Energy: 1.4983941271286467
Energy: 1.4175504243518267
Energy: 1.4983941271302157
Energy: 1.6105350981988293
Energy: 1.50131638285372
Energy: 1.4943992720881332
Energy: 1.5013163828552887
Energy: 1.3692409549713809
Energy: 1.593339228802341
Energy: 1.418094723031466
Energy: 1.593339228802341
Energy: 1.523219774564944
Energy: 1.5234951779918486
Energy: 1.6738628176665091
Energy: 1.5234951779934176
Energy: 1.524089698051715
Energy: 1.5237268930638739
Energy: 1.6755615194950366
Energy: 1.5237268930638739
Energy: 1.5204735156201221
Energy: 1.5224552302091996
Energy: 1.5271036820153643
Energy: 1.5224552302091996
Energy: 1.525527256675155
Energy: 1.5270988474311706
Energy: 1.5253594659864655
Energy: 1.5270988474311706
Energy: 1.4189115924129128
Energy: 1.5947919335987886
Energy: 1.4927742464046871
Energy: 1.5947919336003573
Energy: 1.4975695745405915
Energy: 1.5001100449317217
Energy: 1.3774833908813666
Energy: 1.5001100449317217
Energy: 1.4958795867258674
Energy: 1.499725830091844
Energy: 1.6070668600381777
Energy: 1.499725830091844
Energy: 1.4172923333371006
Energy: 1.5961886955274065
Energy: 1.6082525723077483
Energy: 1.596188695528975
Energy: 1.673080976145142
Energy: 1.5268765433427878
Energy: 1.5254529446060703
Energy: 1.526876543341219

minimum gb energy = 1.3692409549713809 eV
minimum distance =  2.21764231452107 Angstroms
sigma value = 17


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

Energy: 2.1259498293990906
Energy: 1.5777115994888096
Energy: 1.6559157013508015
Energy: 1.6559377217658362
Energy: 1.51885139318584
Energy: 1.5156699835660725
Energy: 1.6814905152069692
Energy: 1.515669983565184
Energy: 1.493690895243629
Energy: 1.4925003724083723
Energy: 1.6549191733299207
Energy: 1.4925003724083723
Energy: 1.492399851329066
Energy: 1.4919171108917462
Energy: 1.5133421458537575
Energy: 1.4919171108926348
Energy: 1.5816626198600439
Energy: 1.6407306207928576
Energy: 1.5588480049376274
Energy: 1.6407306207928576
Energy: 1.4917800454287369
Energy: 1.6431562161267494
Energy: 1.5793383434799482
Energy: 1.6431562161267494
Energy: 1.5616899887752598
Energy: 1.491548321043398
Energy: 1.4950011293966927
Energy: 1.491548321041621
Energy: 1.7412234788175571
Energy: 1.4909781301707468
Energy: 1.4912150191584466
Energy: 1.4909781301698584
Energy: 1.661622351803003
Energy: 1.6554188070297475
Energy: 1.6555166260240233
Energy: 1.6554188070297475
Energy: 1.65800245147135
Energy: 1.6588424851542753
Energy: 1.6738540641578128
Energy: 1.6588424851524985
Energy: 1.5785260032712913
Energy: 1.4888919673757288
Energy: 1.489175745829109
Energy: 1.4888919673757288
Energy: 1.7006753158721102
Energy: 1.4891660628038386
Energy: 1.4887827235589808
Energy: 1.4891660628047274
Energy: 1.5639674293560852
Energy: 1.4880507583649984
Energy: 1.4878647779476248
Energy: 1.4880507583658866
Energy: 1.563139253651244
Energy: 1.51241212563819
Energy: 1.451573500059342
Energy: 1.5124121256373013
Energy: 1.6635209099497743
Energy: 1.6558418063369382
Energy: 1.7442435283436084
Energy: 1.65584180633605
Energy: 1.6536851800976113
Energy: 1.6543863860797616
Energy: 1.7405309289224988
Energy: 1.6543863860797616
Energy: 1.6580885038694826
Energy: 1.4917686043877083
Energy: 1.4917684640229736
Energy: 1.4917686043877083
Energy: 1.6583870888974839
Energy: 1.4917890525306088
Energy: 1.4898333090143192
Energy: 1.491789052531497
Energy: 1.4916959118941877
Energy: 1.641589415393623
Energy: 1.5814437337173908
Energy: 1.6415894153927344
Energy: 1.5535298620643692
Energy: 1.6433738324769709
Energy: 1.5804847643417466
Energy: 1.6433738324769709
Energy: 1.4918693935536822
Energy: 1.4917346023055373
Energy: 1.8364582168178454
Energy: 1.4917346023055373
Energy: 1.4925023364970564
Energy: 1.4940033423647214
Energy: 1.5632780237433537
Energy: 1.4940033423647214
Energy: 1.6538668938876133
Energy: 1.6598225431782336
Energy: 1.6534135160118548
Energy: 1.659822543177345
Energy: 1.6560210301741525
Energy: 1.6548261915277716
Energy: 1.6531210912227663
Energy: 1.6548261915277716
Energy: 1.4533904391997303
Energy: 1.48747824689949
Energy: 1.6629403460264345
Energy: 1.4874782469003787
Energy: 1.4885165504059439
Energy: 1.4890871126299048
Energy: 1.5790418495077139
Energy: 1.4890871126299048
Energy: 1.4518693360220067
Energy: 1.572137031397469
Energy: 1.6075900166639983
Energy: 1.572137031397469
Energy: 1.4900296894226288
Energy: 1.4891336639891029
Energy: 1.565737395322792
Energy: 1.4891336639882142
Energy: 1.4911180239506874
Energy: 1.5158901864625622
Energy: 1.5642880933057643
Energy: 1.5158901864607854
Energy: 1.7387671698621823
Energy: 1.6539775956256808
Energy: 1.6538560914850857
Energy: 1.653977595623904

minimum gb energy = 1.451573500059342 eV
minimum distance =  2.19175805113269 Angstroms
sigma value = 53


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

Energy: 1.931454678518155
Energy: 1.397640798899224
Energy: 1.578867247394252
Energy: 1.5776805362369861
Energy: 1.7476402741848627
Energy: 1.5662042181008502
Energy: 1.5643284460756277
Energy: 1.5662042180988047
Energy: 1.564843277452539
Energy: 1.5663042314777593
Energy: 1.6081520291711224
Energy: 1.5663042314777593
Energy: 1.5665019895835428
Energy: 1.4822798184718036
Energy: 1.562810139974776
Energy: 1.4822798184779402
Energy: 1.5888697281097324
Energy: 1.481874574291912
Energy: 1.368527272903357
Energy: 1.4818745742960027
Energy: 1.5640202591597008
Energy: 1.4829110139123745
Energy: 1.3688169117326772
Energy: 1.4829110139082835
Energy: 1.7460349896644198
Energy: 1.5637195535327537
Energy: 1.564209367666129
Energy: 1.5637195535307082
Energy: 1.7454540314354083
Energy: 1.5623165178415022
Energy: 1.562149548671488
Energy: 1.5623165178415022
Energy: 1.5641594819092486
Energy: 1.5658960178299954
Energy: 1.6103353072328281
Energy: 1.5658960178361316
Energy: 1.5625400959269635
Energy: 1.5639564294667887
Energy: 1.5644021174073013
Energy: 1.5639564294647434
Energy: 1.5900499987438572
Energy: 1.483510822764948
Energy: 1.3690287929049483
Energy: 1.483510822764948
Energy: 1.5659668499965298
Energy: 1.4816518588272283
Energy: 1.368479382412701
Energy: 1.4816518588313192
Energy: 1.746043171664828
Energy: 1.5634703374727181
Energy: 1.5609559708840377
Energy: 1.5634703374727181

minimum gb energy = 1.368479382412701 eV
minimum distance =  2.22495088183192 Angstroms
sigma value = 9


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

Energy: 1.8852150389336562
Energy: 1.643413587414914
Energy: 1.7441035122768924
Energy: 1.7402986336819997
Energy: 1.4880415113709393
Energy: 1.4779524997345703
Energy: 1.7356764074681583
Energy: 1.4779524997338132
Energy: 1.4790774210460156
Energy: 1.4792565023122493
Energy: 1.7527256845504908
Energy: 1.4792565023122493
Energy: 1.4787323309291338
Energy: 1.4795718384924925
Energy: 1.8126569609939962
Energy: 1.4795718384917358
Energy: 1.4820153104541565
Energy: 1.4777917862563468
Energy: 1.8029496823797764
Energy: 1.4777917862540755
Energy: 1.5135059431540308
Energy: 1.4781763063661921
Energy: 1.8021918952631877
Energy: 1.4781763063661921
Energy: 1.734142536419083
Energy: 1.7121752189197965
Energy: 1.7398269713461174
Energy: 1.7121752189228248
Energy: 1.735339020904429
Energy: 1.7100991308369402
Energy: 1.7112180441374898
Energy: 1.7100991308354259
Energy: 1.5652541379869414
Energy: 1.652508828608618
Energy: 1.5620182765875827
Energy: 1.652508828607104
Energy: 1.4672207833815678
Energy: 1.5642815458021067
Energy: 1.7148873342084252
Energy: 1.5642815458013495
Energy: 1.5524208788973186
Energy: 1.552138354363848
Energy: 1.6206527507504958
Energy: 1.552138354363091
Energy: 1.5543208193427003
Energy: 1.6351211485309396
Energy: 1.802619011416408
Energy: 1.6351211485294257
Energy: 1.7364981298838735
Energy: 1.5536548294125858
Energy: 1.5549581167948066
Energy: 1.553654829413343
Energy: 1.7350423708750702
Energy: 1.554167083713422
Energy: 1.55478110829046
Energy: 1.554167083712665
Energy: 1.7122909957076238
Energy: 1.5658617268223336
Energy: 1.571222833635433
Energy: 1.5658617268193056
Energy: 1.655662935008186
Energy: 1.6439047036224383
Energy: 1.5684825715447843
Energy: 1.6439047036216814
Energy: 1.711695892664997
Energy: 1.646390352095632
Energy: 1.6086265703492613
Energy: 1.6463903520933612
Energy: 1.7110963708535123
Energy: 1.7140352049614869
Energy: 1.8382460288789726
Energy: 1.7140352049645151
Energy: 1.7355460097221884
Energy: 1.7109201579777218
Energy: 1.484078898972798
Energy: 1.7109201579792357
Energy: 1.7565978307397845
Energy: 1.4799858787710745
Energy: 1.4792718624916772
Energy: 1.4799858787703173
Energy: 1.7358809357224925
Energy: 1.4788599906120836
Energy: 1.4794789317737798
Energy: 1.4788599906120836
Energy: 1.8031647468209684
Energy: 1.4773243263154459
Energy: 1.478811511767683
Energy: 1.4773243263154459
Energy: 1.8032105915914867
Energy: 1.4784875702148028
Energy: 1.479784694172794
Energy: 1.4784875702170737
Energy: 1.7426564104123414
Energy: 1.711515687233134
Energy: 1.7343164076549404
Energy: 1.711515687233134
Energy: 1.7126464090184257
Energy: 1.7103475689459855
Energy: 1.7343910694903493
Energy: 1.7103475689474996
Energy: 1.5644319787366152
Energy: 1.7189354417084153
Energy: 1.5556429261522333
Energy: 1.7189354417084153
Energy: 1.71316325901964
Energy: 1.5646792648440841
Energy: 1.466479764107984
Energy: 1.5646792648418129
Energy: 1.6216747217947405
Energy: 1.5532405345700087
Energy: 1.5542381990846375
Energy: 1.5532405345662237
Energy: 1.8406184351820538
Energy: 1.5578708318054215
Energy: 1.5537997576866212
Energy: 1.55787083180845
Energy: 1.557161245984637
Energy: 1.55280834150083
Energy: 1.7349034690138025
Energy: 1.552808341500073
Energy: 1.5538230059630471
Energy: 1.5542026520559205
Energy: 1.7516451311941101
Energy: 1.5542026520566776
Energy: 1.553453496927199
Energy: 1.5673699923736886
Energy: 1.6683274663297853
Energy: 1.5673699923752027
Energy: 1.5657859119191397
Energy: 1.6432439883896464
Energy: 1.6566317104174693
Energy: 1.6432439883881325
Energy: 1.5537425902721351
Energy: 1.6418557661559745
Energy: 1.6202974924292837
Energy: 1.6418557661574886
Energy: 1.8476181741678834
Energy: 1.7126350945333764
Energy: 1.710494744875505
Energy: 1.7126350945326196

minimum gb energy = 1.466479764107984 eV
minimum distance =  2.2188271673157 Angstroms
sigma value = 73


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

Energy: 1.795660493249379
Energy: 1.5342388526948194
Energy: 1.6348445355075252
Energy: 1.6344307866010053
Energy: 1.4932953001998066
Energy: 1.7600208512331759
Energy: 1.6753594465208936
Energy: 1.7600208512319748
Energy: 1.4827043063421945
Energy: 1.483758381323242
Energy: 1.6234088904120625
Energy: 1.483758381323242
Energy: 1.4833165849914725
Energy: 1.4836835441412934
Energy: 1.6751031619328582
Energy: 1.483683544142495
Energy: 1.4836408369473073
Energy: 1.482701627421829
Energy: 1.7636281853961553
Energy: 1.4827016274206282
Energy: 1.5190418045131575
Energy: 1.483129806784373
Energy: 1.7631472913249047
Energy: 1.483129806784373
Energy: 1.671984522200392
Energy: 1.6369052879843031
Energy: 1.6757149919769168
Energy: 1.6369052879843031
Energy: 1.6707029437601588
Energy: 1.6339038993759052
Energy: 1.6341327590682282
Energy: 1.6339038993747044
Energy: 1.6363529299059092
Energy: 1.6437224098555576
Energy: 1.6370789508924797
Energy: 1.6437224098567589
Energy: 1.4635728225696707
Energy: 1.7394030830300045
Energy: 1.6357781729386127
Energy: 1.7394030830312053
Energy: 1.6332893744183332
Energy: 1.6342717099057593
Energy: 1.492104412467835
Energy: 1.6342717099057593
Energy: 1.6769741060489176
Energy: 1.6757150425040126
Energy: 1.7785435255276807
Energy: 1.6757150425052139
Energy: 1.642493548237255
Energy: 1.4824651622368545
Energy: 1.5191217605776175
Energy: 1.4824651622368545
Energy: 1.6236743000105445
Energy: 1.4835498726760126
Energy: 1.4824917390745858
Energy: 1.4835498726772138
Energy: 1.7733136974022168
Energy: 1.4830733828828064
Energy: 1.4846466181955766
Energy: 1.4830733828828064
Energy: 1.7628539911266472
Energy: 1.4842932548160281
Energy: 1.484417109046741
Energy: 1.4842932548148269
Energy: 1.7641822420888886
Energy: 1.7572298982806047
Energy: 1.5189443857548213
Energy: 1.7572298982794035
Energy: 1.6742310845804211
Energy: 1.6752692771258788
Energy: 1.6720691657851494
Energy: 1.6752692771258788
Energy: 1.6354093602879007
Energy: 1.635771127730619
Energy: 1.6700914119898342
Energy: 1.63577112773182
Energy: 1.6406047402118729
Energy: 1.5964150533848864
Energy: 1.648456781019336
Energy: 1.5964150533860328
Energy: 1.6350928796990105
Energy: 1.596332430296703
Energy: 1.4655752475815687
Energy: 1.596332430296703
Energy: 1.7756481101719679
Energy: 1.6352304745927402
Energy: 1.6348546855738244
Energy: 1.6352304745927402

minimum gb energy = 1.4635728225696707 eV
minimum distance =  2.21513939331564 Angstroms
sigma value = 7


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

Energy: 1.921933200339943
Energy: 1.5776467107833745
Energy: 1.6449795293140455
Energy: 1.6433477777979082
Energy: 1.4899230640353225
Energy: 1.6340704284789251
Energy: 1.7693615868432113
Energy: 1.6340704284772267
Energy: 1.4957826105007321
Energy: 1.4948992004681314
Energy: 1.6091746407399103
Energy: 1.4948992004655834
Energy: 1.4953231169854035
Energy: 1.494575488554277
Energy: 1.7653608295124568
Energy: 1.494575488554277
Energy: 1.5216566648551384
Energy: 1.5191134586625512
Energy: 1.7237633333212783
Energy: 1.5191134586634008
Energy: 1.5213987858764484
Energy: 1.5194503727601307
Energy: 1.7263186330984308
Energy: 1.5194503727541855
Energy: 1.7756766783384963
Energy: 1.5197676432414737
Energy: 1.5189695742839975
Energy: 1.5197676432372271
Energy: 1.776725593801639
Energy: 1.5188868900174424
Energy: 1.5170673706813604
Energy: 1.5188868900148944
Energy: 1.7732259126556407
Energy: 1.4928664589844955
Energy: 1.4941164702573027
Energy: 1.4928664589853449
Energy: 1.7280398436086277
Energy: 1.699038854083981
Energy: 1.5349726834312296
Energy: 1.6990388540832086
Energy: 1.7675639903514204
Energy: 1.6438278259595018
Energy: 1.518260998274583
Energy: 1.6438278259569536
Energy: 1.6467595741689638
Energy: 1.6462502547491256
Energy: 1.774458562419175
Energy: 1.6462502547465776
Energy: 1.6477068148777023
Energy: 1.618873681893076
Energy: 1.5337669423448739
Energy: 1.6188736818879803
Energy: 1.6148094498949557
Energy: 1.5865421940250042
Energy: 1.493748362721425
Energy: 1.5865421940258537
Energy: 1.6454096219670997
Energy: 1.6176278017973498
Energy: 1.53366743033752
Energy: 1.617627801798199
Energy: 1.5438245826690133
Energy: 1.6453457954465636
Energy: 1.6431264851317886
Energy: 1.6453457954431663
Energy: 1.5449862166861879
Energy: 1.643089960106564
Energy: 1.6741082687209732
Energy: 1.6430899601074134
Energy: 1.5358189446906723
Energy: 1.7056511242173542
Energy: 1.6098090515805923
Energy: 1.7056511242131076
Energy: 1.4915297922111173
Energy: 1.4942487605080044
Energy: 1.7689260338617703
Energy: 1.4942487605139498
Energy: 1.5185359323758478
Energy: 1.5177920140121297
Energy: 1.5540188099479768
Energy: 1.5177920140129788
Energy: 1.5223518994293717
Energy: 1.5199351411341342
Energy: 1.721228143873133
Energy: 1.5199351411290385
Energy: 1.7756870965639833
Energy: 1.518735391876474
Energy: 1.5232287014256667
Energy: 1.5187353918815698
Energy: 1.7746162990935346
Energy: 1.5199285659581283
Energy: 1.520543777249435
Energy: 1.5199285659589776
Energy: 1.7663742021038034
Energy: 1.4945443431012069
Energy: 1.4947296701091322
Energy: 1.494544343099508
Energy: 1.7262215089233246
Energy: 1.4951820260548097
Energy: 1.4953463815795291
Energy: 1.4951820260565083
Energy: 1.738737341808019
Energy: 1.7051868754051602
Energy: 1.5333095219827306
Energy: 1.705186875401763
Energy: 1.6462994045951223
Energy: 1.6425924617694525
Energy: 2.0149851604461766
Energy: 1.6425924617677536
Energy: 1.6446855796654667
Energy: 1.6471018047795005
Energy: 1.5336942984014341
Energy: 1.647101804782898
Energy: 1.609461694741437
Energy: 1.5887080422748918
Energy: 1.6297424569380372
Energy: 1.5887080422757411
Energy: 1.6447507264658587
Energy: 1.6156189861429742
Energy: 1.4979502920066574
Energy: 1.615618986139577
Energy: 1.5439289642708487
Energy: 1.6443887582670176
Energy: 1.6428959599037831
Energy: 1.644388758270415

minimum gb energy = 1.4899230640353225 eV
minimum distance =  2.20748716490451 Angstroms
sigma value = 29


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

Energy: 1.3748407030736316
Energy: 1.3769228174430095
Energy: 1.5072623599078456
Energy: 1.5741051550766587
Energy: 1.4898614060447632
Energy: 1.6112114339960937
Energy: 1.506729175806087
Energy: 1.6112114339966856
Energy: 1.5070595304291172
Energy: 1.570277160120355
Energy: 1.4348101046284485
Energy: 1.5702771601200591
Energy: 1.489789194750254
Energy: 1.4125711184845167
Energy: 1.505151287825603
Energy: 1.4125711184847798
Energy: 1.4502299826659306
Energy: 1.4490253589244058
Energy: 1.3810148123402142
Energy: 1.4490253589249975
Energy: 1.504641804460902
Energy: 1.5716126927932477
Energy: 1.3812429341468841
Energy: 1.5716126927929517
Energy: 1.434143345339566
Energy: 1.570014173366336
Energy: 1.5054945333196075
Energy: 1.570014173366336
Energy: 1.5070764968905377
Energy: 1.447591833502485
Energy: 1.4911523376542455
Energy: 1.4475918335036355
Energy: 1.4891003358812345
Energy: 1.4461960968165397
Energy: 1.4474676025213256
Energy: 1.446196096815685

minimum gb energy = 1.3748407030736316 eV
minimum distance =  2.22898448066344 Angstroms
sigma value = 5


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

Energy: 1.950962675683534
Energy: 1.3840857812437433
Energy: 1.6424133867857744
Energy: 1.3926060078440305
Energy: 1.7145391612379082
Energy: 1.3940182795426266
Energy: 1.606506667139019
Energy: 1.3940182795450333
Energy: 1.6045042589648058
Energy: 1.501855979815972
Energy: 1.6006660823479262
Energy: 1.5018559798143678
Energy: 1.5045046716338326
Energy: 1.3911990040347777
Energy: 1.59062927085511
Energy: 1.391199004032371
Energy: 1.6025660650989546
Energy: 1.4101110259387246
Energy: 1.5089904175858628
Energy: 1.4101110259355156
Energy: 1.408818855793204
Energy: 1.4186615239254803
Energy: 1.5108467266020056
Energy: 1.4186615239214686
Energy: 1.392929089910021
Energy: 1.3908099916432075
Energy: 1.7543632981084405
Energy: 1.3908099916384666
Energy: 1.4001810257219283
Energy: 1.3962494424989857
Energy: 1.696732437191137
Energy: 1.3962494424957765
Energy: 1.6970071228446322
Energy: 1.468638127146277
Energy: 1.7081516544160436
Energy: 1.468638127146277
Energy: 1.7111447289277382
Energy: 1.383035314132051
Energy: 1.3808832808533258
Energy: 1.3830353141336555
Energy: 1.693693721010161
Energy: 1.382480465867977
Energy: 1.3922719406558304
Energy: 1.382480465867977
Energy: 1.6985643301695341
Energy: 1.4014484513295782
Energy: 1.403884949898966
Energy: 1.4014484513271712
Energy: 1.6924989956285168
Energy: 1.3823601494034896
Energy: 1.607576800875287
Energy: 1.3823601494026874
Energy: 1.7174594863712849
Energy: 1.6014971781522445
Energy: 1.6907624810570392
Energy: 1.6014971781538492
Energy: 1.4703342680225668
Energy: 1.366187939830554
Energy: 1.6930770219637956
Energy: 1.3661879398321588
Energy: 1.4867653562986478
Energy: 1.366602389964012
Energy: 1.676333467221772
Energy: 1.366602389964012
Energy: 1.4802783548654304
Energy: 1.3675736661518718
Energy: 1.3997228008098646
Energy: 1.3675736661542786
Energy: 1.6848936647860533
Energy: 1.388576936094839
Energy: 1.6820980204982003
Energy: 1.388576936094839
Energy: 1.6828221159638959
Energy: 1.4765323007133562
Energy: 1.4017847335006097
Energy: 1.4765323007157631
Energy: 1.6828369652359505
Energy: 1.3977695442143716
Energy: 1.5024852562375168
Energy: 1.39776954421036
Energy: 1.5093740172946153
Energy: 1.3978147886195658
Energy: 1.5167620401558233
Energy: 1.397814788625182
Energy: 1.507419652954766
Energy: 1.4310710083820848
Energy: 1.4163184766692618
Energy: 1.4310710083788758
Energy: 1.7087331827608159
Energy: 1.3969079485586258
Energy: 1.4014623836383877
Energy: 1.3969079485530098
Energy: 1.6961688635773544
Energy: 1.399665742588924
Energy: 1.3989547377890073
Energy: 1.3996657425857149
Energy: 1.6995341334861926
Energy: 1.3747158664895076
Energy: 1.6805574688182376
Energy: 1.3747158664911123
Energy: 1.3802985825370724
Energy: 1.3819867880989967
Energy: 1.7112250712628998
Energy: 1.3819867880989967
Energy: 1.3951160904016615
Energy: 1.3875624514901879
Energy: 1.6508263723633623
Energy: 1.3875624514941989
Energy: 1.3925983973582854
Energy: 1.3934453119246535
Energy: 1.5166510135882205
Energy: 1.3934453119294672
Energy: 1.496685935162159
Energy: 1.375749745156921
Energy: 1.6942983470627193
Energy: 1.375749745153712
Energy: 1.6912848985956115
Energy: 1.4673678909055305
Energy: 1.7051178044461894
Energy: 1.4673678909055305
Energy: 1.6909036561450634
Energy: 1.3924927927751216
Energy: 1.3956168444224066
Energy: 1.3924927927783308
Energy: 1.7318604386711673
Energy: 1.3920698459412952
Energy: 1.3961056510274283
Energy: 1.392069845946109
Energy: 1.3973952422696274
Energy: 1.4337592220209163
Energy: 1.432525282083669
Energy: 1.4337592220177071

minimum gb energy = 1.366187939830554 eV
minimum distance =  2.1763025323272 Angstroms
sigma value = 1


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

Energy: 1.9198470654918751
Energy: 1.325866152042804
Energy: 1.3362716669221695
Energy: 1.3321803743624152
Energy: 1.7416080354684347
Energy: 1.3332954360793887
Energy: 1.5898637214180669
Energy: 1.3332954360771705
Energy: 1.5889462905209366
Energy: 1.469608100886406
Energy: 1.6069560705562311
Energy: 1.4696081008841873
Energy: 1.3433277366475305
Energy: 1.3290179239706597
Energy: 1.5929016521375872
Energy: 1.3290179239695505
Energy: 1.5694446463919698
Energy: 1.3429321121523332
Energy: 1.5987616196553127
Energy: 1.3429321121534423
Energy: 1.3293616737560006
Energy: 1.343003992725594
Energy: 1.5996590100154178
Energy: 1.343003992726703
Energy: 1.3409106447253794
Energy: 1.326846779625917
Energy: 1.7650121925967721
Energy: 1.3268467796303542
Energy: 1.3430585281364904
Energy: 1.3300814248460548
Energy: 1.7923722203637034
Energy: 1.330081424847164
Energy: 1.592813991377596
Energy: 1.4418378191778758
Energy: 1.7911532975136566
Energy: 1.4418378191812038
Energy: 1.6022789821625847
Energy: 1.3480238264151927
Energy: 1.3341527672954656
Energy: 1.348023826416302
Energy: 1.7660208621657858
Energy: 1.3278952455768813
Energy: 1.3291204816240108
Energy: 1.3278952455768813
Energy: 1.8378880386001468
Energy: 1.34424385958417
Energy: 1.3306477893545547
Energy: 1.344243859588607
Energy: 1.836743926713307
Energy: 1.329533416416042
Energy: 1.3316729186979495
Energy: 1.3295334164171515
Energy: 1.7644956196308181
Energy: 1.3288920998096923
Energy: 1.6055021368507398
Energy: 1.3288920998130203
Energy: 1.3424348776293487
Energy: 1.4686089974367933
Energy: 1.6060968982591157
Energy: 1.4686089974356837
Energy: 1.3422184127779722
Energy: 1.3305326037991452
Energy: 1.7659539225072098
Energy: 1.3305326037991452
Energy: 1.3290973676552051
Energy: 1.3317948002599067
Energy: 1.5964316644459806
Energy: 1.3317948002621254
Energy: 1.3520009039662333
Energy: 1.342025265251943
Energy: 1.584409399872786
Energy: 1.342025265251943
Energy: 1.3409740867442046
Energy: 1.3329046760765642
Energy: 1.7957899704888427
Energy: 1.332904676079892
Energy: 1.344265536750156
Energy: 1.422364893073
Energy: 1.8450444865281606
Energy: 1.422364893070781
Energy: 1.5995615856949317
Energy: 1.4216784207201727
Energy: 1.7656148806005139
Energy: 1.4216784207146262
Energy: 1.5965933625247088
Energy: 1.3314318541731818
Energy: 1.3309671521027022
Energy: 1.3314318541765098
Energy: 1.7649658806547266
Energy: 1.3281051625086446
Energy: 1.3291101176891786
Energy: 1.3281051625075353
Energy: 1.8366958005987375
Energy: 1.3292708045035637
Energy: 1.3285262024807354
Energy: 1.3292708045013453

minimum gb energy = 1.325866152042804 eV
minimum distance =  2.20159458323349 Angstroms
sigma value = 17


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

Energy: 2.0345101247044175
Energy: 1.303319125602356
Energy: 1.60884848921043
Energy: 1.3141155732196792
Energy: 1.316585709868491
Energy: 1.3078250522570438
Energy: 1.4950522947694997
Energy: 1.307825052260472
Energy: 1.6671020858262395
Energy: 1.3045391489048341
Energy: 1.4861227829730057
Energy: 1.3045391489041485
Energy: 1.6475917714109864
Energy: 1.3868731990169134
Energy: 1.516904356504162
Energy: 1.3868731990189704
Energy: 1.6486256831237658
Energy: 1.2930958851294896
Energy: 1.784205042041227
Energy: 1.2930958851336034
Energy: 1.2943138440402029
Energy: 1.2924227460782347
Energy: 1.7863211289126135
Energy: 1.292422746077549
Energy: 1.2948582377417042
Energy: 1.2936227635955952
Energy: 1.3785791550791617
Energy: 1.293622763596281
Energy: 1.2990331513739328
Energy: 1.2951202136899453
Energy: 1.9293323754783211
Energy: 1.2951202136878883
Energy: 1.7389762757964584
Energy: 1.2957057658867457
Energy: 1.6532776389072326
Energy: 1.29570576588606
Energy: 1.4904333308596955
Energy: 1.3918347891238632
Energy: 1.4743802427235102
Energy: 1.3918347891231773
Energy: 1.735299420704002
Energy: 1.3049664949209265
Energy: 1.3141133119971147
Energy: 1.3049664949222977
Energy: 1.7828979032733077
Energy: 1.3163786559182893
Energy: 1.512340161511118
Energy: 1.3163786559189747
Energy: 1.7908076320410249
Energy: 1.3598680749199341
Energy: 1.3063042302716725
Energy: 1.3598680749226766
Energy: 1.6247822176314932
Energy: 1.305675617569744
Energy: 1.3088903347708443
Energy: 1.305675617569744
Energy: 1.643665371494802
Energy: 1.308134477254129
Energy: 1.3137463552063942
Energy: 1.308134477254129
Energy: 1.8797664682492683
Energy: 1.3066892110731174
Energy: 1.6277460592393276
Energy: 1.306689211072432
Energy: 1.3566630676114624
Energy: 1.5155990683222853
Energy: 1.7929498506331527
Energy: 1.5155990683215999
Energy: 1.304151006332699
Energy: 1.3080400329613746
Energy: 1.7648958551234555
Energy: 1.308040032960689
Energy: 1.3766374563967716
Energy: 1.3110808145816033
Energy: 1.6531634914185072
Energy: 1.31108081458366
Energy: 1.5141406600836742
Energy: 1.3075122027672577
Energy: 1.9135555935492217
Energy: 1.3075122027652006
Energy: 1.4873212346124478
Energy: 1.306809983329262
Energy: 1.5199683961454262
Energy: 1.3068099833278901
Energy: 1.4872754083035882
Energy: 1.3058732302178142
Energy: 1.64587565099207
Energy: 1.3058732302184997
Energy: 1.4760617024568214
Energy: 1.383798212983183
Energy: 1.6449644641297674
Energy: 1.383798212984554
Energy: 1.7844894835666616
Energy: 1.2950307441203417
Energy: 1.4659118738842383
Energy: 1.2950307441196562
Energy: 1.7657588264179163
Energy: 1.3144422754349978
Energy: 1.292050829506748
Energy: 1.3144422754322553
Energy: 1.3810727960504035
Energy: 1.2938587350078274
Energy: 1.2954380981031246
Energy: 1.293858735006456
Energy: 1.9133548248954169
Energy: 1.2972290832719062
Energy: 1.2943665448006807
Energy: 1.2972290832719062
Energy: 1.8444104270763368
Energy: 1.2938163819488895
Energy: 1.7400964697748045
Energy: 1.2938163819488895
Energy: 1.4738682344082494
Energy: 1.3873302199040451
Energy: 1.484312604217815
Energy: 1.3873302199054165
Energy: 1.3160512407398386
Energy: 1.3049610068162787
Energy: 1.7354278690576566
Energy: 1.3049610068169644
Energy: 1.5115811332232403
Energy: 1.3573975891267065
Energy: 1.7848916059529478
Energy: 1.3573975891273922
Energy: 1.362111517700575
Energy: 1.3581782839440728
Energy: 1.7864132258024283
Energy: 1.3581782839433871
Energy: 1.305890159869967
Energy: 1.3054897577991291
Energy: 1.627455661668734
Energy: 1.3054897577963867
Energy: 1.3191693064467207
Energy: 1.309158879657318
Energy: 1.6461005109928795
Energy: 1.3091588796545754
Energy: 1.6197784593866527
Energy: 1.3057809504993898
Energy: 1.8780869496385342
Energy: 1.3057809504987044
Energy: 1.8508971928748796
Energy: 1.3124772064152384
Energy: 1.3668302317712493
Energy: 1.3124772064159238
Energy: 1.6202341018704722
Energy: 1.3057765621606165
Energy: 1.315299552748349
Energy: 1.3057765621606165
Energy: 1.6506535940206937
Energy: 1.3348557418376863
Energy: 1.3564848826628253
Energy: 1.3348557418376863

minimum gb energy = 1.292050829506748 eV
minimum distance =  2.19596835124073 Angstroms
sigma value = 89


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

Energy: 2.1425210873304352
Energy: 1.2418500610256191
Energy: 1.1952689708699267
Energy: 1.1953725553922745
Energy: 1.9356506596529155
Energy: 1.3216387554787945
Energy: 1.568897741002476
Energy: 1.3216387554787945
Energy: 1.1808527022035515
Energy: 1.3226279106402112
Energy: 1.5800654112754007
Energy: 1.3226279106402112
Energy: 1.1812573599018885
Energy: 1.3250086025526093
Energy: 1.1940411840587157
Energy: 1.3250086025544032
Energy: 1.191528585966776
Energy: 1.1926972452990214
Energy: 1.5705993927794863
Energy: 1.1926972452990214
Energy: 1.2546525997646414
Energy: 1.1937461584239066
Energy: 1.5703666638876177
Energy: 1.1937461584239066
Energy: 1.1926806780393697
Energy: 1.1898814065675152
Energy: 1.5682420607687515
Energy: 1.189881406569309
Energy: 1.194266091872003
Energy: 1.1955856120765929
Energy: 1.9355636891294667
Energy: 1.1955856120765929
Energy: 1.5669155514842288
Energy: 1.1904688183722663
Energy: 1.93655866416616
Energy: 1.1904688183704721
Energy: 1.5834689569604161
Energy: 1.3251585729327493
Energy: 1.2248554830604286
Energy: 1.3251585729327493
Energy: 1.5664477608069673
Energy: 1.3251921693236024
Energy: 1.1783777302408223
Energy: 1.3251921693236024
Energy: 1.5709840890264755
Energy: 1.1933659807079147
Energy: 1.1943314362617519
Energy: 1.1933659807061208
Energy: 1.5718762412449618
Energy: 1.1940832181872383
Energy: 1.1918217621839204
Energy: 1.1940832181872383
Energy: 1.2232715292668557
Energy: 1.1890561884679054
Energy: 1.1888161720389236
Energy: 1.1890561884679054
Energy: 1.936534159208377
Energy: 1.1929068607904743
Energy: 1.193487628103888
Energy: 1.1929068607904743

minimum gb energy = 1.1783777302408223 eV
minimum distance =  2.22278964504643 Angstroms
sigma value = 13


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

Energy: 1.9056934245303379
Energy: 1.1480057696932688
Energy: 1.1305384748222094
Energy: 1.132149266542731
Energy: 1.8106195371983211
Energy: 1.1284736568048035
Energy: 1.3465371588328638
Energy: 1.128473656800292
Energy: 1.8081480531253213
Energy: 1.1272027055716238
Energy: 1.3221611747882365
Energy: 1.127202705558841
Energy: 1.5052877420318946
Energy: 1.1323165637094939
Energy: 1.3461074453201332
Energy: 1.1323165637004708
Energy: 1.5586933491764676
Energy: 1.1297817367676948
Energy: 1.6604096269004402
Energy: 1.129781736765439
Energy: 1.3225303298773474
Energy: 1.129105418417989
Energy: 1.6584588495247448
Energy: 1.1291054184149814
Energy: 1.321697785172798
Energy: 1.128067239746713
Energy: 1.674712414245406
Energy: 1.1280672397504727
Energy: 1.3072717787174841
Energy: 1.131364242955439
Energy: 1.9301203630136892
Energy: 1.1313642429509274
Energy: 1.157234848884235
Energy: 1.1319922768731248
Energy: 1.9325195384142115
Energy: 1.1319922768821478
Energy: 1.1256745434439168
Energy: 1.1274837070630166
Energy: 1.9351168121515998
Energy: 1.1274837070645205
Energy: 1.1552221524896187
Energy: 1.1375023530524453
Energy: 1.9065906802231332
Energy: 1.137502353054701
Energy: 1.6418672707232034
Energy: 1.2055963201663036
Energy: 1.68141651537175
Energy: 1.2055963201678073
Energy: 1.6593309599101216
Energy: 1.2046823705710972
Energy: 1.6608601351039307
Energy: 1.2046823705718492
Energy: 1.6491286579871247
Energy: 1.2080375874938507
Energy: 1.5058591274747162
Energy: 1.2080375874870832
Energy: 1.9412089282563216
Energy: 1.1306589373530722
Energy: 1.5340387689137593
Energy: 1.130658937355328
Energy: 1.9384767198059152
Energy: 1.1287192054097301
Energy: 1.1326328247953994
Energy: 1.128719205419505
Energy: 1.6687147445814159
Energy: 1.1278115949071852
Energy: 1.1286020741579812
Energy: 1.127811594908689
Energy: 1.820820260890168
Energy: 1.1300528561182348
Energy: 1.136661302787871
Energy: 1.130052856115227
Energy: 2.0572457433260145
Energy: 1.1313832933906003
Energy: 1.3505218519941526
Energy: 1.1313832933966157
Energy: 1.6825531339077158
Energy: 1.126283329038465
Energy: 1.320849147751724
Energy: 1.1262833290535033
Energy: 1.5050220854324101
Energy: 1.1355074705284371
Energy: 1.3463943402122815
Energy: 1.135507470520166
Energy: 1.6813919269418292
Energy: 1.1271386277604838
Energy: 1.6584645633574957
Energy: 1.127138627768003
Energy: 1.3288189955174088
Energy: 1.130485998569203
Energy: 1.6607503220565947
Energy: 1.1304859985774742
Energy: 1.131739275114783
Energy: 1.1263078412656389
Energy: 1.6767085641490425
Energy: 1.126307841257368
Energy: 1.3399398157173308
Energy: 1.1581140269132062
Energy: 1.940785943459157
Energy: 1.1581140269147099
Energy: 1.1596317094352313
Energy: 1.1571916845683337
Energy: 1.9361231593845336
Energy: 1.1571916845608827
Energy: 1.1277701845079222
Energy: 1.1265160061607147
Energy: 1.67893068777522
Energy: 1.1265160061629702
Energy: 1.12717165380461
Energy: 1.1341795296542339
Energy: 1.819409278681767
Energy: 1.1341795296572417
Energy: 1.6393065333689651
Energy: 1.1277380093956915
Energy: 2.0590106680987925
Energy: 1.1277380093926836
Energy: 1.3182334037821906
Energy: 1.209075441030225
Energy: 1.6613134044346696
Energy: 1.2090754410242093
Energy: 1.6451249693114902
Energy: 1.2110219289047557
Energy: 1.5067074185037026
Energy: 1.2110219289047557
Energy: 1.9371307590115572
Energy: 1.1302418387006807
Energy: 1.6414333691046663
Energy: 1.1302418387074482
Energy: 1.942374024312297
Energy: 1.1313585212062447
Energy: 1.159786551373054
Energy: 1.1313585212107562
Energy: 1.770843423763377
Energy: 1.126662048072198
Energy: 1.1282478291023643
Energy: 1.126662048063927
Energy: 2.0519786584739994
Energy: 1.1296123529681006
Energy: 1.1339020634899524
Energy: 1.12961235297562

minimum gb energy = 1.1256745434439168 eV
minimum distance =  2.21741658904041 Angstroms
sigma value = 37


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

Energy: 1.675295183594242
Energy: 1.0938052160142595
Energy: 1.0312323570461037
Energy: 1.0280887471634492
Energy: 2.0790465319891736
Energy: 1.0282508036194473
Energy: 1.3341528260344349
Energy: 1.0282508036181537
Energy: 1.6380443371547941
Energy: 1.026237484162385
Energy: 1.3395905321677641
Energy: 1.026237484162385
Energy: 1.6368723583382345
Energy: 1.1667584692023618
Energy: 1.335354544341842
Energy: 1.1667584692023618
Energy: 1.667848539260595
Energy: 1.1656208478141523
Energy: 1.3346142969430386
Energy: 1.1656208478128585
Energy: 1.3421377328557997
Energy: 1.0270121818368223
Energy: 1.5665566455585316
Energy: 1.0270121818368223
Energy: 1.0210606132901299
Energy: 1.0260355362348395
Energy: 1.6677839546556683
Energy: 1.026035536233546
Energy: 1.0429334692647505
Energy: 1.0271944930085566
Energy: 1.8582354617330508
Energy: 1.0271944930085566
Energy: 1.0279111252685293
Energy: 1.0270825208752523
Energy: 1.85727710711596
Energy: 1.0270825208752523
Energy: 1.0251261507285843
Energy: 1.0286397001093188
Energy: 1.8653456674410855
Energy: 1.0286397001093188
Energy: 1.031232357008617
Energy: 1.0280887464703437
Energy: 1.675295183594242
Energy: 1.0938052160155531
Energy: 1.3341528260357285
Energy: 1.0282508036181537
Energy: 2.079046531990467
Energy: 1.0282508036181537
Energy: 1.3395905321664705
Energy: 1.0262374841610913
Energy: 1.6380443371547941
Energy: 1.0262374841597977
Energy: 1.3353545443405481
Energy: 1.1667584692023618
Energy: 1.636872358335647
Energy: 1.1667584692023618
Energy: 1.334614296941745
Energy: 1.1656208478128585
Energy: 1.6678485392593014
Energy: 1.1656208478141523
Energy: 1.5665566455585316
Energy: 1.027012181838116
Energy: 1.3421377328570934
Energy: 1.027012181838116
Energy: 1.6677839546543747
Energy: 1.0260355362348395
Energy: 1.0210606132901299
Energy: 1.026035536233546
Energy: 1.8582354617330508
Energy: 1.0271944930085566
Energy: 1.0429334692647505
Energy: 1.0271944930072627
Energy: 1.8572771071146663
Energy: 1.0270825208752523
Energy: 1.0279111252698228
Energy: 1.0270825208752523
Energy: 1.8653456674436433
Energy: 1.0286397001106125
Energy: 1.0251261507285843
Energy: 1.0286397001106125

minimum gb energy = 1.0210606132901299 eV
minimum distance =  2.22551239908926 Angstroms
sigma value = 25


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

Energy: 1.970521450866354
Energy: 0.9742168872589299
Energy: 0.9202584658657175
Energy: 0.9135017026626868
Energy: 2.1581750346588233
Energy: 0.9151573478664424
Energy: 1.1701212768711935
Energy: 0.9151573478654322
Energy: 1.7906113286588383
Energy: 0.9135785650780806
Energy: 1.1682807716162384
Energy: 0.9135785650790909
Energy: 1.4070898514220105
Energy: 0.9180298256491134
Energy: 1.4468591199200027
Energy: 0.9180298256501235
Energy: 1.8082650256038104
Energy: 1.0222187418181579
Energy: 1.6091607143717743
Energy: 1.0222187418171478
Energy: 1.415505288700242
Energy: 1.0212053926935736
Energy: 1.6067914872704958
Energy: 1.0212053926925635
Energy: 1.4148104169272746
Energy: 1.0216901616396061
Energy: 1.8089536739344034
Energy: 1.0216901616416267
Energy: 1.4469490690701945
Energy: 0.9176897215012488
Energy: 1.6031203417245568
Energy: 0.9176897215012488
Energy: 1.1684007926643534
Energy: 0.9137035306310162
Energy: 1.9781333204699214
Energy: 0.9137035306330364
Energy: 1.1712969681634695
Energy: 0.9151588192267589
Energy: 1.8111572771839188
Energy: 0.9151588192247386
Energy: 0.9138609671199431
Energy: 0.9134222156220267
Energy: 1.689083136912328
Energy: 0.9134222156220267
Energy: 0.9196812292605183
Energy: 0.9150202532312658
Energy: 1.9775851486507385
Energy: 0.9150202532312658
Energy: 0.915951798160906
Energy: 0.918474605814034
Energy: 2.162189640551573
Energy: 0.9184746058130239
Energy: 1.1667849780911315
Energy: 0.9135819912995112
Energy: 1.7882636448777567
Energy: 0.9135819912985012
Energy: 1.1673324358867838
Energy: 0.9130208958356846
Energy: 1.8087238871151081
Energy: 0.9130208958356846
Energy: 1.1728979963736024
Energy: 0.9154780795046115
Energy: 1.7933382198866419
Energy: 0.9154780795046115
Energy: 1.6071165530727802
Energy: 0.9155027792935178
Energy: 1.7920360936915471
Energy: 0.9155027792914974
Energy: 1.1601951630607994
Energy: 1.022494772340126
Energy: 1.6075271129291078
Energy: 1.022494772340126
Energy: 1.6085248285678415
Energy: 1.0229919145991704
Energy: 1.4144279910570343
Energy: 1.0229919145991704
Energy: 1.9784882846990417
Energy: 0.9131912405568218
Energy: 1.4148623103312454
Energy: 0.9131912405558115
Energy: 1.6899086335519016
Energy: 0.9188864582363332
Energy: 1.168770702473382
Energy: 0.9188864582373434
Energy: 1.9794913003553292
Energy: 0.9124102305217718
Energy: 0.9146729090033477
Energy: 0.9124102305217718
Energy: 1.973761930108917
Energy: 0.9180059242121466
Energy: 1.1687712333980245
Energy: 0.9180059242111365
Energy: 1.6053055597273411
Energy: 0.9139423454069141
Energy: 0.9142968671402423
Energy: 0.9139423454069141
Energy: 1.8070297294665902
Energy: 0.9130589171632918
Energy: 0.9143044054100133
Energy: 0.9130589171612714
Energy: 1.7912623070358673
Energy: 0.9155779219647628
Energy: 0.9216895946080557
Energy: 0.9155779219637528

minimum gb energy = 0.9124102305217718 eV
minimum distance =  2.22728827887069 Angstroms
sigma value = 41


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

Energy: 1.9187482586205982
Energy: 0.8817373831017744
Energy: 0.8306135405989554
Energy: 0.8301722172665819
Energy: 2.202089044411134
Energy: 0.8307027876593793
Energy: 1.0439046821166762
Energy: 0.8307027876593793
Energy: 1.8946456526073274
Energy: 0.8295659284280176
Energy: 1.0415269529976816
Energy: 0.8295659284313303
Energy: 1.5773179369052164
Energy: 0.8362205352537678
Energy: 1.4113944826001132
Energy: 0.8362205352529396
Energy: 1.9067903335815213
Energy: 0.8313285892845386
Energy: 1.4135820213226704
Energy: 0.8313285892837103
Energy: 1.5681736618193294
Energy: 0.8313503217172581
Energy: 1.4123332683266656
Energy: 0.8313503217156017
Energy: 1.5735184162475353
Energy: 0.9206389950239874
Energy: 1.7381929257833337
Energy: 0.920638995022331
Energy: 1.5875670573941476
Energy: 0.9245715823533224
Energy: 1.4056982681505437
Energy: 0.9245715823533224
Energy: 1.2477992492636605
Energy: 0.8283118815781217
Energy: 1.733940303001755
Energy: 0.8283118815797781
Energy: 1.2508309580870476
Energy: 0.8284741405960538
Energy: 2.0502645855557566
Energy: 0.8284741405960538
Energy: 1.0415453844142253
Energy: 0.838413446554223
Energy: 1.7315016236495593
Energy: 0.8384134465517386
Energy: 1.0396173493091663
Energy: 0.8281683757749511
Energy: 2.0513123887241416
Energy: 0.8281683757766074
Energy: 1.0505286792460016
Energy: 0.83272104827733
Energy: 2.0507893350831647
Energy: 0.8327210482789862
Energy: 0.8288348142148507
Energy: 0.845774525244208
Energy: 1.7412330243438403
Energy: 0.845774525244208
Energy: 0.8326014405086387
Energy: 0.8298739641111549
Energy: 1.9068027641093455
Energy: 0.8298739641103267
Energy: 0.8378093568371126
Energy: 0.8364457609741611
Energy: 1.8968202975319928
Energy: 0.8364457609725047
Energy: 1.040366701087075
Energy: 0.8357067468363836
Energy: 1.9020710886872427
Energy: 0.8357067468363836
Energy: 1.031294294891234
Energy: 0.8281654272877584
Energy: 1.9050196121314389
Energy: 0.8281654272869304
Energy: 1.042089379243383
Energy: 0.8340093968164667
Energy: 1.5716667243363163
Energy: 0.8340093968164667
Energy: 1.4177110971004596
Energy: 0.8308803465073272
Energy: 1.5680953681347214
Energy: 0.8308803465048427
Energy: 1.4090626560853428
Energy: 0.8322170194473391
Energy: 1.7407850443449366
Energy: 0.8322170194473391
Energy: 1.4190444745805444
Energy: 0.9193386172639125
Energy: 1.575016676789702
Energy: 0.9193386172622562
Energy: 1.7337234745065695
Energy: 0.9170313980287077
Energy: 1.5687668684054388
Energy: 0.9170313980278795
Energy: 1.404769481450645
Energy: 0.9239604519195495
Energy: 1.42013830241634
Energy: 0.9239604519203777
Energy: 1.7395186845519153
Energy: 0.8320189114211914
Energy: 1.2300301178112543
Energy: 0.8320189114220196
Energy: 1.7334352402238127
Energy: 0.8303338487998382
Energy: 1.415500643095416
Energy: 0.8303338487990101
Energy: 1.7367922049073838
Energy: 0.8331695609299612
Energy: 1.0417761262879395
Energy: 0.833169560933274
Energy: 1.9045712137754878
Energy: 0.8277574951943416
Energy: 1.032965320718155
Energy: 0.8277574951951698
Energy: 1.7357875928136162
Energy: 0.8395257147452431
Energy: 1.0417260567444195
Energy: 0.8395257147460712
Energy: 1.732766823177315
Energy: 0.836931962428736
Energy: 0.829196290414368
Energy: 0.8369319624303924
Energy: 2.054757229390879
Energy: 0.8295021874459517
Energy: 0.8316261106635321
Energy: 0.8295021874459517
Energy: 1.8913975489293078
Energy: 0.838536368950805
Energy: 0.8299496600678115
Energy: 0.8385363689516331

minimum gb energy = 0.8277574951943416 eV
minimum distance =  2.22923273776118 Angstroms
sigma value = 15


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

Energy: 1.6985717035985803
Energy: 0.8092624772188177
Energy: 0.7646087053629494
Energy: 0.765001092321317
Energy: 2.109621121333232
Energy: 0.7670561340533761
Energy: 0.9415767259127706
Energy: 0.7670561340519729
Energy: 1.966548061947974
Energy: 0.7647895834843261
Energy: 0.9399642108084082
Energy: 0.7647895834864309
Energy: 1.69369554167892
Energy: 0.7715405109527834
Energy: 1.2615410939310239
Energy: 0.7715405109520818
Energy: 1.9733250587495426
Energy: 0.7622717997755032
Energy: 1.2632493323582088
Energy: 0.7622717997741
Energy: 1.6833060622731948
Energy: 0.762895825053506
Energy: 1.2657677292957936
Energy: 0.762895825053506
Energy: 1.4015053624338756
Energy: 1.0898761293393724
Energy: 1.5497484859346908
Energy: 1.0898761293393724
Energy: 1.6970494205392341
Energy: 1.0901584868544931
Energy: 1.2536838614536356
Energy: 1.0901584868537915
Energy: 1.3995522259668287
Energy: 1.0890620017716783
Energy: 1.54416911127188
Energy: 1.0890620017758879
Energy: 1.3995221202865915
Energy: 1.0888313148818787
Energy: 1.8263270164695626
Energy: 1.088831314879774
Energy: 1.263416817305993
Energy: 1.0918058384854568
Energy: 1.552824265898743
Energy: 1.0918058384861584
Energy: 1.1046168379981176
Energy: 0.7622154560915295
Energy: 1.8272613253790349
Energy: 0.7622154560936344
Energy: 1.2669002029730678
Energy: 0.7635733132300374
Energy: 1.8240553862395195
Energy: 0.7635733132279325
Energy: 0.9354453532527266
Energy: 0.7713238176586324
Energy: 1.549437414689309
Energy: 0.7713238176593342
Energy: 0.935682879622686
Energy: 0.7628809099274698
Energy: 1.976939312426648
Energy: 0.7628809099274698
Energy: 0.9364397461464868
Energy: 0.7688953671789063
Energy: 1.826571190333905
Energy: 0.7688953671810111
Energy: 0.763009753520833
Energy: 0.7733629573623754
Energy: 1.8309724690629101
Energy: 0.7733629573623754
Energy: 0.7629800757462651
Energy: 0.7638492539491002
Energy: 1.9760149886490517
Energy: 0.7638492539498019
Energy: 0.7786935318238262
Energy: 0.7723838677298468
Energy: 1.686194258443567
Energy: 0.7723838677291454
Energy: 0.9507473595717424
Energy: 0.769692229723808
Energy: 1.9720273328379794
Energy: 0.7696922297210015
Energy: 0.9308085469712418
Energy: 0.7629658879388428
Energy: 1.977204137445557
Energy: 0.7629658879374397
Energy: 0.9329059691376637
Energy: 0.7711209767205912
Energy: 1.691060884203022
Energy: 0.7711209767177849
Energy: 1.2689409384745538
Energy: 0.7639692383933159
Energy: 1.6822358119950234
Energy: 0.7639692383961222
Energy: 1.262348441944378
Energy: 0.7622618117186619
Energy: 1.8310822916602678
Energy: 0.7622618117193637
Energy: 1.2796667962728614
Energy: 0.7655888296192133
Energy: 1.4089371053347706
Energy: 0.7655888296192133
Energy: 1.5424029652581763
Energy: 1.0885799748899803
Energy: 1.8286628987917193
Energy: 1.0885799748906817
Energy: 1.2588129031537405
Energy: 0.8399033866427434
Energy: 1.5474753186333987
Energy: 0.8399033866413402
Energy: 1.5588599208047518
Energy: 1.090563633225978
Energy: 1.4082399568012722
Energy: 1.0905636332231716
Energy: 1.5442723341246922
Energy: 1.0895548736591412
Energy: 1.5479569349806994
Energy: 1.0895548736584395
Energy: 1.541545877515916
Energy: 1.087688466847846
Energy: 1.2622128658835794
Energy: 1.0876884668464428
Energy: 1.840662029483458
Energy: 0.7620230239286581
Energy: 1.1042151861675373
Energy: 0.7620230239272549
Energy: 1.5480050688928675
Energy: 0.7705465125252448
Energy: 1.2825648331247412
Energy: 0.770546512526648
Energy: 1.8243837496497275
Energy: 0.7642117459167136
Energy: 0.9422060930869723
Energy: 0.7642117459181167
Energy: 1.9759287882833347
Energy: 0.7660443464885279
Energy: 0.9494619657060609
Energy: 0.7660443464864233
Energy: 1.8232486342345602
Energy: 0.7800665765522167
Energy: 0.9329213691547237
Energy: 0.7800665765536199
Energy: 2.0967944362735644
Energy: 0.7655326239294452
Energy: 0.7698713177733548
Energy: 0.7655326239308484
Energy: 1.9638147498197556
Energy: 0.7657588758185925
Energy: 0.7720654795018488
Energy: 0.765758875819294

minimum gb energy = 0.7620230239272549 eV
minimum distance =  2.23132781627373 Angstroms
sigma value = 85


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

Energy: 1.7807132592394563
Energy: 0.7654332808430164
Energy: 0.688746841769304
Energy: 0.6890398647444641
Energy: 2.119575396351108
Energy: 0.6918099742442422
Energy: 0.838926068542131
Energy: 0.6918099742436339
Energy: 1.7505815476996551
Energy: 0.6908535581833435
Energy: 0.8386394343601321
Energy: 0.6908535581833435
Energy: 1.4950632669247597
Energy: 0.6897149203434608
Energy: 1.1297322275888577
Energy: 0.6897149203434608
Energy: 2.0108094984396425
Energy: 0.6905989992052529
Energy: 1.1292897743504369
Energy: 0.6905989992052529
Energy: 1.4973390144150922
Energy: 0.6896782088489265
Energy: 1.1345813785243504
Energy: 0.6896782088483181
Energy: 1.5020868820474569
Energy: 0.6891649976816231
Energy: 1.3773172806188074
Energy: 0.6891649976791893
Energy: 1.7687237136749703
Energy: 0.6890437706121014
Energy: 1.1179775122182805
Energy: 0.6890437706145354
Energy: 1.502329786471932
Energy: 1.2603488370863356
Energy: 1.3809657008968304
Energy: 1.2603488370863356
Energy: 1.500924732452419
Energy: 1.2589928285154457
Energy: 1.631329922953388
Energy: 1.2589928285148375
Energy: 1.3772664736247378
Energy: 1.0139686801193835
Energy: 1.3746064672929283
Energy: 1.0139686801193835
Energy: 1.252019740414686
Energy: 0.6893954100534304
Energy: 1.6322340735352714
Energy: 0.689395410054039
Energy: 1.3774091072499366
Energy: 0.6892066326650853
Energy: 1.6264377442397182
Energy: 0.6892066326571751
Energy: 1.1298984219729404
Energy: 0.689389962427789
Energy: 1.371506947826623
Energy: 0.689389962427789
Energy: 0.9823149500791201
Energy: 0.6888032496237828
Energy: 1.8829034587956133
Energy: 0.6888032496256082
Energy: 1.1308018225570504
Energy: 0.691117602569175
Energy: 1.6248703970120943
Energy: 0.691117602569175
Energy: 0.8381168104144496
Energy: 0.692331613177464
Energy: 1.6237265193472805
Energy: 0.692331613177464
Energy: 0.8368431526652126
Energy: 0.6893151902821167
Energy: 2.0084612763033713
Energy: 0.689315190281536
Energy: 0.8383486428575956
Energy: 0.6893321885320879
Energy: 1.8738247800798573
Energy: 0.6893321885326963
Energy: 0.6893413701068569
Energy: 0.68918905797013
Energy: 1.8738268456449418
Energy: 0.6891890579695215
Energy: 0.6903973395519789
Energy: 0.6897665563965139
Energy: 2.0093109851990385
Energy: 0.6897665563959056
Energy: 0.6895659912994188
Energy: 0.6894041746467081
Energy: 1.748200069973995
Energy: 0.6894041746460997
Energy: 0.8479770381777597
Energy: 0.6895586181026139
Energy: 1.9972175733682893
Energy: 0.6895586181032223
Energy: 0.8404378594052987
Energy: 0.6891102910383249
Energy: 2.6481088823850367
Energy: 0.6891102910377164
Energy: 0.8410725735969297
Energy: 0.6894529927854977
Energy: 1.495387042753102
Energy: 0.6894529927854977
Energy: 1.1329109246175948
Energy: 0.6893345993598716
Energy: 2.000713821885994
Energy: 0.6893345993598716
Energy: 1.1298470534296732
Energy: 0.6894698265055389
Energy: 1.754055414922573
Energy: 0.6894698265061473
Energy: 1.3773440820369296
Energy: 0.6903788101457976
Energy: 1.498064173809409
Energy: 0.6903788101464062
Energy: 1.3777201634110092
Energy: 0.6889526585350687
Energy: 1.880446555943961
Energy: 0.6889526585356771
Energy: 1.3768898989917737
Energy: 1.2557397601154843
Energy: 1.5009012064177063
Energy: 1.2557397601148756
Energy: 1.6288346860496852
Energy: 1.257521284720104
Energy: 1.24981491072848
Energy: 1.2575212847207122
Energy: 1.374163096612827
Energy: 1.2572809076900664
Energy: 1.6292344244581383
Energy: 1.2572809076912834
Energy: 1.628838732925145
Energy: 0.6893366916146411
Energy: 1.2495991213307085
Energy: 0.6893366916140325
Energy: 1.8793206858500973
Energy: 0.689217455160552
Energy: 1.2491559664159388
Energy: 0.6892174551611604
Energy: 1.3719528937616314
Energy: 0.6897159986742862
Energy: 1.2896018723966407
Energy: 0.6897159986748949
Energy: 1.878684205150579
Energy: 0.6889346795964458
Energy: 1.1225326350420721
Energy: 0.6889346795970542
Energy: 1.8759131614772309
Energy: 0.6895114734501494
Energy: 1.1325313171200453
Energy: 0.6895114734495408
Energy: 1.6238328591071958
Energy: 0.6903902414639649
Energy: 0.8385422308332278
Energy: 0.6903902414639649
Energy: 2.1184285129025113
Energy: 0.6889322757716289
Energy: 0.8400869898564522
Energy: 0.6889322757710203
Energy: 1.8760856246866957
Energy: 0.6893729217506186
Energy: 0.8380230732216748
Energy: 0.6893729217506186
Energy: 1.6213802112237585
Energy: 0.6892233153995393
Energy: 0.6893867445139829
Energy: 0.6892233154001476
Energy: 2.009438898712157
Energy: 0.6894723246163496
Energy: 0.689955381128891
Energy: 0.6894723246169581
Energy: 1.7483779590410335
Energy: 0.689212774985406
Energy: 0.6896450152961222
Energy: 0.689212774985406

minimum gb energy = 0.688746841769304 eV
minimum distance =  2.22889302435576 Angstroms
sigma value = 113


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

Energy: 0.020376292687561595
Energy: 0.021591563628035756
Energy: 1.619823369980141
Energy: 0.7246673865740543
Energy: 0.021406154941329764
Energy: 0.1688643991143018
Energy: 1.0623992067060757
Energy: 0.1688643991157051
Energy: 0.02142613985298598
Energy: 0.1664112328364286
Energy: 1.0600583447966327
Energy: 0.16641123283596085
Energy: 0.022974107596804433
Energy: 0.16904537865823535
Energy: 1.0622410308653083
Energy: 0.16904537865776756
Energy: 1.1687274578203086
Energy: 0.1688271323910909
Energy: 1.0602739775843122
Energy: 0.16882713239015537
Energy: 0.021048769342436456
Energy: 0.16630988246670858
Energy: 1.0601587292183372
Energy: 0.16630988246717637

minimum gb energy = 0.020376292687561595 eV
minimum distance =  2.45591641448943 Angstroms
sigma value = 1