Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Mo__MO_230319944007_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150138273835182
cohesive_energy=6.810539053672873
mass=95.95
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: 0.017344502759396786
Energy: 0.01772095600571106
Energy: 4.281710337174065
Energy: 0.01772095600571106
Energy: 0.01772095600571106
Energy: 0.017419185730466417
Energy: 1.3881224790053073
Energy: 0.017419185730466417
Energy: 4.281710337173284
Energy: 1.3881224790053073
Energy: 1.3881709218215459
Energy: 1.3881224790053073
Energy: 0.01772095600571106
Energy: 0.017419185730466417
Energy: 1.3881224790053073
Energy: 0.017419185730466417

minimum gb energy = 0.017344502759396786 eV
minimum distance =  2.72637685878796 Angstroms
sigma value = 1


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

Energy: 2.2214625014750626
Energy: 2.4850578095670683
Energy: 1.6674246481535917
Energy: 2.4850578095670683
Energy: 2.3597524783762633
Energy: 1.4722411331724408
Energy: 1.6599851415347522
Energy: 1.4722411331684335
Energy: 2.7027136289609333
Energy: 1.5716020272243583
Energy: 1.5222083315263706
Energy: 1.5716020272203517
Energy: 2.13255154351807
Energy: 1.6906321340648487
Energy: 1.6599223869272257
Energy: 1.690632134063847
Energy: 2.1399648685852726
Energy: 1.6905815656939438
Energy: 2.189861711052764
Energy: 1.69058156569194
Energy: 2.3853853701275334
Energy: 1.693916213246484
Energy: 1.476834386605271
Energy: 1.6939162132494892
Energy: 1.8186911135214368
Energy: 1.8957337141909034
Energy: 1.4769468005840658
Energy: 1.8957337141949102
Energy: 1.4638100657032673
Energy: 1.8299353107559981
Energy: 2.1896600320706616
Energy: 1.829935310754996
Energy: 1.818300371554949
Energy: 1.8094439989896562
Energy: 2.106913868969019
Energy: 1.8094439989926614
Energy: 2.503115559315824
Energy: 1.476692485410763
Energy: 1.8371673332707672
Energy: 1.476692485411765
Energy: 1.5131161128024637
Energy: 1.6347796148090412
Energy: 1.9568652165435307
Energy: 1.6347796148040328
Energy: 1.5129221568342224
Energy: 1.5129818071009113
Energy: 3.0436647804725827
Energy: 1.5129818070979058
Energy: 1.9752990086022684
Energy: 1.810736587881241
Energy: 2.1259478943108387
Energy: 1.8107365878822428
Energy: 1.61827697474454
Energy: 1.8883409430883842
Energy: 2.202848013636998
Energy: 1.8883409430863807
Energy: 1.5749536678397629
Energy: 1.8072775389681268
Energy: 2.3587082904854646
Energy: 1.80727753897013
Energy: 1.5750220725452386
Energy: 1.814530066074543
Energy: 2.361821904086914
Energy: 1.8145300660785497
Energy: 1.618625484493696
Energy: 1.8092545985506516
Energy: 2.2260972802295065
Energy: 1.80925459854965
Energy: 1.9754413804571265
Energy: 1.8105774007451916
Energy: 2.0890108343271905
Energy: 1.8105774007461932
Energy: 1.5186694962463165
Energy: 1.5130410109658399
Energy: 2.933236400455567
Energy: 1.5130410109688452
Energy: 1.5132252867068254
Energy: 1.8112101002964498
Energy: 1.8039987668311
Energy: 1.8112101002954482
Energy: 2.504274540485521
Energy: 1.4776316218862124
Energy: 1.8398526505083714
Energy: 1.477631621884209
Energy: 1.8185681981610342
Energy: 1.6893849897784128
Energy: 2.107071970381468
Energy: 1.6893849897784128
Energy: 1.8694721642023746
Energy: 1.48661253179215
Energy: 1.886611915334925
Energy: 1.4866125317941536
Energy: 2.1405061664524423
Energy: 1.8909910868489235
Energy: 1.4770674603178315
Energy: 1.8909910868459183
Energy: 2.3854486576363945
Energy: 1.6933314728724955
Energy: 1.4768767941636993
Energy: 1.6933314728694904
Energy: 2.2240869020234344
Energy: 1.7446291773733018
Energy: 2.1899499750186995
Energy: 1.7446291773733018
Energy: 2.089549139932718
Energy: 1.690280594386661
Energy: 1.6596491758938618
Energy: 1.6902805943856594
Energy: 2.7028954571696535
Energy: 1.5716055007755743
Energy: 1.5233311213100176
Energy: 1.571605500776576
Energy: 2.359592215008034
Energy: 1.4725200167099306
Energy: 1.6598287845158135
Energy: 1.472520016714894
Energy: 2.222901637816658
Energy: 1.4778061849996493
Energy: 1.6602478194092116
Energy: 1.4778061849996493
Energy: 2.3616954153188767
Energy: 1.4723907182869767
Energy: 1.6599273292032957
Energy: 1.4723907182879783
Energy: 2.385483570063486
Energy: 1.7419657572465816
Energy: 1.5224879141533703
Energy: 1.7419657572485852
Energy: 2.139721040704227
Energy: 1.691097732229371
Energy: 1.6598512577521607
Energy: 1.691097732225364

minimum gb energy = 1.4638100657032673 eV
minimum distance =  2.47880545475607 Angstroms
sigma value = 1


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

Energy: 2.415589216787845
Energy: 2.295033512054322
Energy: 1.6564797573652879
Energy: 2.295033512054322
Energy: 2.190652974398098
Energy: 1.74998549300193
Energy: 1.9487370311640344
Energy: 1.7499854930030723
Energy: 2.273430231918067
Energy: 1.5911520317354748
Energy: 1.5909268396224108
Energy: 1.5911520317343326
Energy: 1.5042692303256697
Energy: 1.9677218559264842
Energy: 1.9492897704591918
Energy: 1.9677218559264842
Energy: 1.5043741899715302
Energy: 1.967755249308449
Energy: 2.455497415920295
Energy: 1.967755249309591
Energy: 2.273509820681217
Energy: 1.5662672936078845
Energy: 1.5661660737253096
Energy: 1.566267293606742
Energy: 1.5665557409149091
Energy: 1.5890596089373246
Energy: 1.5660606062470652
Energy: 1.5890596089384668
Energy: 1.5661243745729652
Energy: 1.5661058554300804
Energy: 2.4551829949371466
Energy: 1.5661058554266538
Energy: 1.566896111876794
Energy: 1.74985630070338
Energy: 2.2776983957004973
Energy: 1.749856300702238
Energy: 1.9481864869079777
Energy: 1.504149428926735
Energy: 1.5046130533626396
Energy: 1.5041494289255928
Energy: 1.590909938549577
Energy: 1.9683319211399077
Energy: 2.2780477033647775
Energy: 1.9683319211410497
Energy: 1.694886948718046
Energy: 1.7880479673000056
Energy: 2.9305136329695074
Energy: 1.7880479673000056
Energy: 1.9472378364499103
Energy: 1.749766089381731
Energy: 2.1937246595589346
Energy: 1.7497660893828733
Energy: 1.9472378364499103
Energy: 1.7497632153055676
Energy: 2.1940602973426118
Energy: 1.7497632153044256
Energy: 1.695168662451647
Energy: 1.7880625766783556
Energy: 2.930536520943312
Energy: 1.7880625766783556
Energy: 1.5909781385593744
Energy: 1.968377303535309
Energy: 2.278063887518008
Energy: 1.968377303535309
Energy: 1.9481864869068872
Energy: 1.504142130036035
Energy: 1.5046067148495526
Energy: 1.504142130036035
Energy: 1.5668299148605926
Energy: 1.749808353124154
Energy: 2.2777258140193335
Energy: 1.7498083531252961
Energy: 1.5661268962390005
Energy: 1.5660957141477316
Energy: 2.4551829949439994
Energy: 1.5660957141477316
Energy: 1.5665387096253875
Energy: 1.5891828784687707
Energy: 1.5660568644345232
Energy: 1.5891828784687707
Energy: 2.273534171925039
Energy: 1.5662703549244
Energy: 1.5661507875830183
Energy: 1.5662703549266843
Energy: 1.5044083182759478
Energy: 1.967872112794161
Energy: 2.4554974159225793
Energy: 1.967872112794161
Energy: 1.504242864524425
Energy: 1.9677128563094857
Energy: 1.9492897704580499
Energy: 1.967712856310628
Energy: 2.2734816411349192
Energy: 1.5911099130616075
Energy: 1.5909073411058443
Energy: 1.5911099130604656
Energy: 2.191652693301008
Energy: 1.7499687201102334
Energy: 1.9487370311686032
Energy: 1.749968720109091
Energy: 2.415589216787845
Energy: 2.295033512054322
Energy: 1.656479757497727
Energy: 2.295033512055464
Energy: 2.190652974396955
Energy: 1.74998549300193
Energy: 1.9487370311640344
Energy: 1.7499854930030723
Energy: 2.273430231918067
Energy: 1.5911520317354748
Energy: 1.5909268396224108
Energy: 1.5911520317343326
Energy: 1.5042692303268121
Energy: 1.9677218559264842
Energy: 1.9492897704591918
Energy: 1.9677218559253422

minimum gb energy = 1.504142130036035 eV
minimum distance =  2.48931450082859 Angstroms
sigma value = 25


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

Energy: 2.1111919339910217
Energy: 2.5179087038805346
Energy: 1.859659881376703
Energy: 2.517908703881862
Energy: 2.3729758929635194
Energy: 1.6213787621320122
Energy: 1.9107014276169307
Energy: 1.6213787621306845
Energy: 2.4426099658532623
Energy: 1.710438386083407
Energy: 1.7100089895334083
Energy: 1.7104383860820789
Energy: 2.069983092073786
Energy: 1.9316861223948834
Energy: 1.9107868836233044
Energy: 1.9316861223948834
Energy: 2.0705413698070756
Energy: 1.9315332161228684
Energy: 2.1632429493526115
Energy: 1.9315332161215408
Energy: 2.442567877819502
Energy: 1.6217291778013423
Energy: 1.6212660364315323
Energy: 1.6217291778039975
Energy: 1.690281457458141
Energy: 1.7918479290214644
Energy: 1.6211708506183107
Energy: 1.7918479290227924
Energy: 1.6454237497778055
Energy: 1.69084600631637
Energy: 2.543172489796775
Energy: 1.6908460063176978
Energy: 1.8161610854681682
Energy: 1.9333299445402865
Energy: 2.050329984782433
Energy: 1.9333299445389587
Energy: 1.8430969326696716
Energy: 2.061978056223724
Energy: 2.114645416126351
Energy: 2.061978056223724
Energy: 1.8237887955758991
Energy: 1.8247108408109165
Energy: 2.3971675968063875
Energy: 1.824710840809589
Energy: 1.7747692229753922
Energy: 1.6904069670898016
Energy: 2.397163363772779
Energy: 1.690406967088504
Energy: 1.8428416733374842
Energy: 1.843047689313783
Energy: 2.113382505321833
Energy: 1.843047689313783
Energy: 1.816046151583074
Energy: 1.6342394399356497
Energy: 2.0502014828837307
Energy: 1.6342394399356497
Energy: 1.6901682626898122
Energy: 1.6907436639676445
Energy: 2.9020873139002075
Energy: 1.6907436639689721
Energy: 1.690176176606708
Energy: 1.9316108607522302
Energy: 1.621213892636677
Energy: 1.9316108607522302
Energy: 2.957715454840574
Energy: 1.6216346565682924
Energy: 1.6213187017234643
Energy: 1.62163465656962
Energy: 2.069555422627163
Energy: 1.7918353000367944
Energy: 2.1632414509655784
Energy: 1.7918353000367944
Energy: 1.8680238345738662
Energy: 1.9316310535772028
Energy: 1.9108523784023106
Energy: 1.9316310535758752
Energy: 2.0702171764806487
Energy: 1.6214314741583304
Energy: 1.7113604178051371
Energy: 1.6214314741596583
Energy: 2.3729212325773785
Energy: 1.6213825814161682
Energy: 1.7248630145679649
Energy: 1.621382581417496
Energy: 2.113788828494859
Energy: 2.5188237747316835
Energy: 1.9114326534064956
Energy: 2.5188237747316835
Energy: 2.3737262678499627
Energy: 1.8160308794535496
Energy: 2.0476795608367064
Energy: 1.8160308794522222
Energy: 2.4734138014419202
Energy: 1.724523349656958
Energy: 1.7239383451986596
Energy: 1.7245233496556305
Energy: 2.070328164679503
Energy: 1.9314606959828946
Energy: 1.7239781825018756
Energy: 1.9314606959828946

minimum gb energy = 1.6211708506183107 eV
minimum distance =  2.47131816695431 Angstroms
sigma value = 9


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

Energy: 1.6103567148154299
Energy: 1.6106161803082477
Energy: 2.049460639963854
Energy: 1.6106161803066636
Energy: 1.610480002978512
Energy: 1.7412732277460041
Energy: 1.7403365082489766
Energy: 1.7412732277460041
Energy: 1.9031649196405673
Energy: 1.7935218677487297
Energy: 1.9032357665817543
Energy: 1.7935218677487297
Energy: 1.739934871702444
Energy: 1.7400387466698388
Energy: 1.9034252671364622
Energy: 1.7400387466698388
Energy: 1.7399495589362681
Energy: 1.7399730507903997
Energy: 1.9031187324759233
Energy: 1.7399730507903997
Energy: 3.0667271615426754
Energy: 1.7401014998168458
Energy: 1.7400608232093036
Energy: 1.7401014998168458
Energy: 1.9033497143416218
Energy: 1.7401895370668716
Energy: 1.740189616716039
Energy: 1.7401895370668716
Energy: 1.9034126129719198
Energy: 1.9033976211354147
Energy: 2.6063950153188578
Energy: 1.9033976211354147
Energy: 2.3756938715598253
Energy: 1.7400085888291839
Energy: 1.6105380854283664
Energy: 1.7400085888291839
Energy: 2.3757760458691863
Energy: 1.6110441463866068
Energy: 1.610446190464735
Energy: 1.6110441463866068
Energy: 1.9032460916141931
Energy: 1.8507436026994042
Energy: 2.606410799601643
Energy: 1.850743602700988
Energy: 1.903135800865791
Energy: 1.6109030561889042
Energy: 1.9031901107195919
Energy: 1.6109030561889042
Energy: 2.376054336731873
Energy: 1.7405415800133357
Energy: 1.740406439350947
Energy: 1.7405415800133357
Energy: 1.9030776303457753
Energy: 1.727337438325086
Energy: 1.9030407454831195
Energy: 1.727337438325086
Energy: 1.7403881245056474
Energy: 1.7405173298703795
Energy: 2.3760543367287057
Energy: 1.7405173298687957
Energy: 1.9031643066339499
Energy: 1.6115260238229256
Energy: 1.9032487136539145
Energy: 1.6115260238229256
Energy: 2.6063619853674895
Energy: 1.8507614785522368
Energy: 1.9032490824980333
Energy: 1.8507614785522368
Energy: 1.610458816790331
Energy: 1.6109742565997789
Energy: 2.3757760458691863
Energy: 1.6109742565997789
Energy: 1.6105107272290486
Energy: 1.740004346855883
Energy: 2.3756938715614093
Energy: 1.740004346855883
Energy: 2.606563606580511
Energy: 1.9033620271875598
Energy: 1.9034055127060807
Energy: 1.9033620271875598
Energy: 1.7401257573280051
Energy: 1.7400046258851367
Energy: 1.9033596719896515
Energy: 1.7400046258835526

minimum gb energy = 1.6103567148154299 eV
minimum distance =  2.5447118270631 Angstroms
sigma value = 25


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

Energy: 1.7902595842992066
Energy: 2.487300528116238
Energy: 2.0638977005707817
Energy: 2.487300528116238
Energy: 2.458825019499261
Energy: 1.9215710712672083
Energy: 1.9158419883592515
Energy: 1.9215710712672083
Energy: 2.0833729709732194
Energy: 1.916909855069016
Energy: 1.916992166391351
Energy: 1.916909855069016
Energy: 1.9202122530513983
Energy: 1.8902024023400132
Energy: 1.9392598510484667
Energy: 1.8902024023400132
Energy: 2.0827753257116317
Energy: 1.9006787661214446
Energy: 2.553763706510845
Energy: 1.9006787661214446
Energy: 2.756461199958149
Energy: 1.7834900101838889
Energy: 1.783071472833781
Energy: 1.7834900101858475
Energy: 2.0938955528020906
Energy: 1.8901738746689765
Energy: 1.7833120805187024
Energy: 1.8901738746689765
Energy: 2.0282915001332915
Energy: 2.1803033914817203
Energy: 2.5537182262359623
Energy: 2.1803033914817203
Energy: 2.0939341198676047
Energy: 1.78336296139277
Energy: 1.7830715033912214
Energy: 1.78336296139277
Energy: 2.08338325503868
Energy: 1.7835039108083115
Energy: 1.783035917847033
Energy: 1.7835039108083115
Energy: 1.8439339840518383
Energy: 1.8899016412419671
Energy: 2.50824815211835
Energy: 1.8899016412400083
Energy: 1.8899768527267617
Energy: 1.7831989413252325
Energy: 1.9393401361323603
Energy: 1.7831989413252325
Energy: 2.3395370252702707
Energy: 1.9396312421701416
Energy: 1.9408826262971859
Energy: 1.9396312421701416
Energy: 2.456922291930931
Energy: 1.7838756661327924
Energy: 2.4297705983590916
Energy: 1.7838756661308335
Energy: 2.56423551613645
Energy: 1.9189309831729113
Energy: 2.4297528843604748
Energy: 1.9189309831748702
Energy: 2.4490662014495372
Energy: 1.8628238243084427
Energy: 1.9400615892103048
Energy: 1.8628238243084427
Energy: 2.0830149955470483
Energy: 1.7832437160377816
Energy: 1.9404822104579624
Energy: 1.7832437160397403

minimum gb energy = 1.783035917847033 eV
minimum distance =  2.53021301538729 Angstroms
sigma value = 17


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

Energy: 2.280769899979195
Energy: 2.2265982118956846
Energy: 2.2816196048980615
Energy: 2.226598211894575
Energy: 2.4077546393700575
Energy: 2.0430308711828005
Energy: 2.145228807470145
Energy: 2.043030871180582
Energy: 2.1759743690643636
Energy: 1.9033802560654103
Energy: 1.91955417032495
Energy: 1.9033802560665198
Energy: 1.8491784291713536
Energy: 1.8489748067491563
Energy: 2.035954359762924
Energy: 1.8489748067480467
Energy: 1.9838623118086127
Energy: 1.9253833698180103
Energy: 2.270433278125821
Energy: 1.925383369816901
Energy: 2.534003809910302
Energy: 2.25053663337117
Energy: 1.8408960188510728
Energy: 2.250536633370061
Energy: 2.2067396400756043
Energy: 2.007833868241085
Energy: 2.270721831746093
Energy: 2.007833868239976
Energy: 1.9762810981683714
Energy: 1.8484429505999254
Energy: 2.3885318679597036
Energy: 1.8484429505988162
Energy: 2.006302506466859
Energy: 1.932692251667128
Energy: 1.8564451779557387
Energy: 1.932692251667128
Energy: 2.3621499396016463
Energy: 1.9485227755075498
Energy: 2.0038270972825356
Energy: 1.9485227755075498
Energy: 1.8447889127175916
Energy: 1.8444830385599127
Energy: 2.400230118130175
Energy: 1.844483038561022
Energy: 1.8445775465290286
Energy: 1.929365783230821
Energy: 2.084660767753937
Energy: 1.929365783230821
Energy: 2.3614393141678516
Energy: 2.1355317667727456
Energy: 2.0944642589298708
Energy: 2.1355317667749643
Energy: 1.8444463126563733
Energy: 1.8458458923843626
Energy: 2.229474134014257
Energy: 1.8458458923888001
Energy: 1.8444365307039998
Energy: 2.000499294320386
Energy: 2.4502761097707855
Energy: 2.000499294321495
Energy: 2.3535909056353717
Energy: 1.9292546161884596
Energy: 1.8467028101150225
Energy: 1.9292546161884596
Energy: 1.9765514550029724
Energy: 2.048634373297094
Energy: 1.9444888368678106
Energy: 2.048634373300422
Energy: 2.0107034462050533
Energy: 2.1381703960002634
Energy: 2.2591441004830672
Energy: 2.138170395995826
Energy: 2.2026353430699297
Energy: 2.020136054474811
Energy: 2.25347032391353
Energy: 2.020136054473702
Energy: 2.5563913917223364
Energy: 2.0318323639778186
Energy: 2.255299561555414
Energy: 2.0318323639756
Energy: 1.8785333543526639
Energy: 1.9917253274679394
Energy: 2.3734820660969023
Energy: 1.991725327470158
Energy: 1.8785502502947247
Energy: 1.930210708719493
Energy: 1.9397797379012054
Energy: 1.9302107087206024
Energy: 2.2869981248948035
Energy: 1.9396690923601594
Energy: 1.910552810483157
Energy: 1.9396690923601594
Energy: 2.23060054036028
Energy: 1.8229868071472284
Energy: 2.3597450543200904
Energy: 1.8229868071483377
Energy: 2.262730073360632
Energy: 1.82262860732704
Energy: 2.360023490160666
Energy: 1.8226286073259306
Energy: 2.323675868056298
Energy: 1.9395831895290523
Energy: 1.9625216301704835
Energy: 1.9395831895279427
Energy: 1.8783695029164866
Energy: 1.929483066866197
Energy: 1.9100635163127881
Energy: 1.9294830668650877
Energy: 1.8787874726097338
Energy: 1.8792022643512283
Energy: 2.368945716273377
Energy: 1.8792022643501192
Energy: 2.2991340636207322
Energy: 1.9482592492309279
Energy: 2.2588360060441692
Energy: 1.9482592492298185
Energy: 2.202413040505022
Energy: 2.017292268946104
Energy: 1.8405209754578145
Energy: 2.017292268946104

minimum gb energy = 1.8226286073259306 eV
minimum distance =  2.49943295823197 Angstroms
sigma value = 53


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

Energy: 1.775718866237716
Energy: 1.7767834858337825
Energy: 2.246711533272994
Energy: 1.7767834858337825
Energy: 2.0469468053615145
Energy: 1.8142547235652984
Energy: 2.047278629973466
Energy: 1.8142547235652984
Energy: 2.6050956364388735
Energy: 1.9237468422038864
Energy: 2.2581687834402104
Energy: 1.9237468422013322
Energy: 2.2582889507226476
Energy: 1.9237573368413614
Energy: 2.6049829954180703
Energy: 1.9237573368413614
Energy: 2.047275462780682
Energy: 1.8142805209162804
Energy: 2.046963802245994
Energy: 1.8142805209162804
Energy: 4.156259414003458
Energy: 1.7767834858337825
Energy: 1.775718866237716
Energy: 1.7767834858337825
Energy: 2.047278629973466
Energy: 1.8142547235652984
Energy: 2.0469468053615145
Energy: 1.8142547235652984
Energy: 2.2581687834402104
Energy: 1.9237468422038864
Energy: 2.6050956364388735
Energy: 1.9237468422013322
Energy: 2.6049829954180703
Energy: 1.9237573368413614
Energy: 2.2582889507226476
Energy: 1.9237573368413614
Energy: 2.046963802245994
Energy: 1.8142805209162804
Energy: 2.047275462780682
Energy: 1.8142805209162804
Energy: 1.775718866237716
Energy: 1.7767834858337825
Energy: 2.246711534005692
Energy: 1.7767834858337825
Energy: 2.0469468053615145
Energy: 1.8142547235652984
Energy: 2.047278629973466
Energy: 1.8142547235652984
Energy: 2.6050956364388735
Energy: 1.9237468422038864
Energy: 2.2581687834402104
Energy: 1.9237468422038864

minimum gb energy = 1.775718866237716 eV
minimum distance =  2.50479068674469 Angstroms
sigma value = 9


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

Energy: 2.133289817629507
Energy: 2.3889545244980854
Energy: 2.4313427334245588
Energy: 2.388954524501866
Energy: 2.463719740246674
Energy: 2.075783297258385
Energy: 2.3073151081294396
Energy: 2.07578329725933
Energy: 2.1774624390009283
Energy: 1.969566601884898
Energy: 1.9656343950984347
Energy: 1.9695666018830078
Energy: 2.0836089167232377
Energy: 2.009827394568468
Energy: 2.2318017607334406
Energy: 2.009827394572249
Energy: 2.307256751064971
Energy: 2.084252903897314
Energy: 2.4486136024275793
Energy: 2.0842529038992046
Energy: 2.6400468791855163
Energy: 2.0663257389014658
Energy: 2.130662681737048
Energy: 2.0663257389052467
Energy: 2.156726568368193
Energy: 2.0736838998985285
Energy: 2.507747589927678
Energy: 2.073683899899474
Energy: 2.014740545863374
Energy: 2.0188713955139193
Energy: 2.1109652714848828
Energy: 2.018871395512974
Energy: 2.157759620819393
Energy: 1.9679947788185235
Energy: 2.087860478424182
Energy: 1.967994778820414
Energy: 2.0988186629696384
Energy: 2.068728953280756
Energy: 2.203041457796224
Energy: 2.0687289532798103
Energy: 1.9325068675688717
Energy: 2.0661119148124154
Energy: 2.6030716218101904
Energy: 2.066111914813361
Energy: 2.605456347999467
Energy: 2.0907435609524785
Energy: 2.0636764619325607
Energy: 2.0907435609515326
Energy: 2.1052406170888194
Energy: 1.9482583372342757
Energy: 1.94545692457661
Energy: 1.9482583372314402
Energy: 2.181644568384802
Energy: 2.1454026826542196
Energy: 2.182657151833504
Energy: 2.145402682652329
Energy: 2.2120695208619776
Energy: 2.018617819409983
Energy: 2.0340532387534656
Energy: 2.0186178194080924
Energy: 2.67560012364559
Energy: 1.946097931999592
Energy: 1.9471399123636035
Energy: 1.9460979320014826
Energy: 2.155237408777875
Energy: 2.0579226457431417
Energy: 2.7143681288503245
Energy: 2.0579226457393602
Energy: 1.9371997896254534
Energy: 2.0615679899820734
Energy: 2.201342029463342
Energy: 2.0615679899839634
Energy: 2.6079848434044424
Energy: 2.0981282689434755
Energy: 2.1949609546287885
Energy: 2.0981282689434755
Energy: 2.037967923637231
Energy: 1.990934160649103
Energy: 2.0914190054119612
Energy: 1.9909341606481576
Energy: 1.9775592999351876
Energy: 2.018097541183473
Energy: 2.516832153071716
Energy: 2.018097541186309
Energy: 2.4729898608611904
Energy: 2.0513801592337333
Energy: 2.082016757986635
Energy: 2.0513801592327883
Energy: 2.3588793328188284
Energy: 2.0650698891311614
Energy: 2.0835179201260288
Energy: 2.065069889134943
Energy: 2.2041547179253387
Energy: 2.0896241574840912
Energy: 2.6004908024822453
Energy: 2.089624157482201
Energy: 2.0523085508055967
Energy: 2.0181474714412477
Energy: 1.999410460208879
Energy: 2.018147471436521
Energy: 2.3774508134465866
Energy: 2.0699409703256673
Energy: 2.0262847356930216
Energy: 2.0699409703256673
Energy: 2.4268569837154828
Energy: 2.053652328985615
Energy: 2.5198950407927403
Energy: 2.053652328984713
Energy: 2.087247766371721
Energy: 2.0514883253988465
Energy: 2.5200396546763053
Energy: 2.0514883253988465
Energy: 2.479878671283007
Energy: 2.07021527907639
Energy: 2.043276578722086
Energy: 2.0702152790735546
Energy: 2.052820367174562
Energy: 2.1094364927140514
Energy: 1.9995174691697324
Energy: 2.109436492714996
Energy: 2.0409486502986676
Energy: 2.101171010871467
Energy: 2.5248164651014697
Energy: 2.101171010874303
Energy: 2.3588071894345024
Energy: 2.0515240776479304
Energy: 2.0872777261293827
Energy: 2.0515240776507664
Energy: 2.671332492921912
Energy: 2.053114553892949
Energy: 2.0821671303036866
Energy: 2.053114553892949
Energy: 1.9773499972433664
Energy: 2.018497187464592
Energy: 2.5165879166573775
Energy: 2.018497187463647
Energy: 1.9890842547842753
Energy: 2.0888233701152688
Energy: 2.0860926017668278
Energy: 2.0888233701152688

minimum gb energy = 1.9325068675688717 eV
minimum distance =  2.47039487702416 Angstroms
sigma value = 73


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

Energy: 2.2580624951058557
Energy: 2.1177700086533355
Energy: 2.520433666910225
Energy: 2.117770008651836
Energy: 2.169539195156887
Energy: 2.1838644128167375
Energy: 2.345734892367283
Energy: 2.1838644128167375
Energy: 2.1490552619156573
Energy: 2.1254549136280634
Energy: 2.1037322436663293
Energy: 2.1254549136280634
Energy: 2.0526749179764834
Energy: 1.9694806586530071
Energy: 2.2702419565478995
Energy: 1.9694806586515075
Energy: 2.3395431970303338
Energy: 1.9697060507545947
Energy: 2.211975676664038
Energy: 1.9697060507545947
Energy: 2.79399068524133
Energy: 2.11177739629573
Energy: 1.9311032457484085
Energy: 2.11177739629573
Energy: 2.1055284561152505
Energy: 2.0856198364283127
Energy: 2.286867637580526
Energy: 2.0856198364402765
Energy: 1.9706732549325463
Energy: 1.9693675363360088
Energy: 2.1918460081623445
Energy: 1.9693675363345091
Energy: 2.3702517536793852
Energy: 2.1256881053968004
Energy: 2.265814939433307
Energy: 2.1256881053983
Energy: 2.1058109127044133
Energy: 2.124238025951411
Energy: 2.3100254431025236
Energy: 2.124238025952911
Energy: 1.9695079213857296
Energy: 1.9693839635578665
Energy: 2.7979546196430545
Energy: 1.969383963559366
Energy: 2.476026340610075
Energy: 2.0928877244175053
Energy: 2.211850176122594
Energy: 2.0928877244175053
Energy: 2.3393302143204444
Energy: 2.110264231218067
Energy: 1.9301745229129128
Energy: 2.110264231218067
Energy: 2.15541568813784
Energy: 2.245965956333144
Energy: 2.7444001363875956
Energy: 2.245965956333144
Energy: 2.0525468858453473
Energy: 1.9702080969585614
Energy: 2.1598520859719335
Energy: 1.970208096960061
Energy: 2.4968189607320217
Energy: 2.125182591149517
Energy: 2.0441600830454747
Energy: 2.1251825911540165
Energy: 2.1700268825448354
Energy: 2.1139487483918478
Energy: 2.6119452257921885
Energy: 2.1139487483918478
Energy: 2.1698585931947094
Energy: 2.1212689941689784
Energy: 2.611944108872616
Energy: 2.1212689941689784
Energy: 2.631540413753093
Energy: 2.1253573386304656
Energy: 2.269895325994182
Energy: 2.1253573386319653
Energy: 2.1146282417713755
Energy: 2.1007182219460425
Energy: 2.0449532928158196
Energy: 2.1007182219460425
Energy: 2.149093501291072
Energy: 2.1641941140670204
Energy: 2.7449636031079296
Energy: 2.1641941140670204
Energy: 2.3389126114565553
Energy: 2.1005139507615014
Energy: 1.92993753917951
Energy: 2.100513950763001

minimum gb energy = 1.92993753917951 eV
minimum distance =  2.43036999140375 Angstroms
sigma value = 7


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

Energy: 2.415085578935064
Energy: 2.1456198811400617
Energy: 2.5058990910401984
Energy: 2.1456198811400617
Energy: 2.267715129664186
Energy: 2.0911552064134913
Energy: 2.1732767516412905
Energy: 2.0911552064145518
Energy: 2.184642281093735
Energy: 2.030472316734326
Energy: 2.031487567170174
Energy: 2.0304723167353864
Energy: 2.186883893082492
Energy: 1.9309869265349104
Energy: 2.0312001419838546
Energy: 1.9309869265338497
Energy: 2.2489216190087786
Energy: 2.030747551917867
Energy: 1.9300679401102616
Energy: 2.030747551916807
Energy: 2.8063787005486684
Energy: 1.9306406407855625
Energy: 1.9325315998080193
Energy: 1.9306406407855625
Energy: 2.0908553375148555
Energy: 2.274431791220743
Energy: 2.449581999705659
Energy: 2.274431791219683
Energy: 1.932409910231645
Energy: 1.9304191815576688
Energy: 2.247422851280468
Energy: 1.9304191815587293
Energy: 2.6849628618959933
Energy: 2.0326160710901973
Energy: 2.111195718248896
Energy: 2.0326160710901973
Energy: 2.031341070083812
Energy: 1.9311889761279593
Energy: 2.107693923852596
Energy: 1.9311889761268988
Energy: 2.0308831717757707
Energy: 2.035172138530302
Energy: 2.430211255607199
Energy: 2.035172138530302
Energy: 2.9176363507353007
Energy: 2.0646135266994756
Energy: 2.26803383974187
Energy: 2.0646135266994756
Energy: 2.925237362996517
Energy: 2.145267816277307
Energy: 2.270500017925576
Energy: 2.145267816279428
Energy: 2.1707763718076754
Energy: 2.127900427468656
Energy: 2.6578764413894085
Energy: 2.127900427468656
Energy: 2.0305598855317917
Energy: 2.0640899281254943
Energy: 2.18517376538818
Energy: 2.0640899281254943
Energy: 2.6847538795676824
Energy: 2.4265676986365623
Energy: 2.1842865922548182
Energy: 2.4265676986365623
Energy: 1.9295393656038038
Energy: 2.0640320624008552
Energy: 2.247289920305399
Energy: 2.0640320624008552
Energy: 1.9298191362812436
Energy: 2.141255959292117
Energy: 2.449695804674588
Energy: 2.141255959292117
Energy: 2.9698339200234822
Energy: 1.9301999916465182
Energy: 1.9296533590332414
Energy: 1.9301999916465182
Energy: 2.2483584330998703
Energy: 2.031175137768686
Energy: 1.9295061265003004
Energy: 2.031175137767625
Energy: 2.1854513861816858
Energy: 2.184099334477512
Energy: 2.3142807633112663
Energy: 2.184099334477512
Energy: 2.1862547521640443
Energy: 2.0321881516164493
Energy: 2.0364585002908724
Energy: 2.0321881516164493
Energy: 2.3295038907570618
Energy: 2.163229058893834
Energy: 2.1740753757784783
Energy: 2.163229058893834
Energy: 2.267046070044673
Energy: 2.14923136167096
Energy: 2.9091560433836277
Energy: 2.14923136167096
Energy: 2.2674391799394753
Energy: 2.0641070615684316
Energy: 2.318052628488579
Energy: 2.0641070615673716
Energy: 2.4301592698841317
Energy: 2.032874287882782
Energy: 2.037017430894981
Energy: 2.032874287882782
Energy: 2.108007195040447
Energy: 1.9314157433212669
Energy: 2.030843762160271
Energy: 1.9314157433223273
Energy: 2.2472721861256226
Energy: 2.0322955920119203
Energy: 2.3640860073051164
Energy: 2.0322955920098
Energy: 2.2471104048096984
Energy: 1.9326116216998985
Energy: 1.9325789653491472
Energy: 1.9326116216998985
Energy: 2.4553814055518344
Energy: 2.2273825784279606
Energy: 2.4554010748785084
Energy: 2.2273825784279606
Energy: 1.9308849416851597
Energy: 1.931723983444652
Energy: 2.2471104048086383
Energy: 1.931723983444652

minimum gb energy = 1.9295061265003004 eV
minimum distance =  2.55648007831428 Angstroms
sigma value = 29


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

Energy: 1.7528898010695455
Energy: 2.128096864678313
Energy: 2.4828358384416713
Energy: 2.128096864678313
Energy: 2.566150761032805
Energy: 1.8752522402013123
Energy: 1.9464231319656444
Energy: 1.8752522402013123
Energy: 2.651330507773306
Energy: 1.8702602654661793
Energy: 1.8711739569772048
Energy: 1.8702602654672462
Energy: 2.6102966827996794
Energy: 2.0270407506272403
Energy: 1.8697151290000185
Energy: 2.027040750626542
Energy: 2.5088497086509958
Energy: 2.026569059402513
Energy: 1.8694013209400349
Energy: 2.02656905940358
Energy: 2.651830707762114
Energy: 1.8703502504334817
Energy: 1.8694107503270048
Energy: 1.8703502504327838
Energy: 2.4716291048912993
Energy: 2.0263788136643406
Energy: 2.4853707774788436
Energy: 2.0263788136650382
Energy: 1.7524935576097231
Energy: 2.1285516701814213
Energy: 3.1098195347300988
Energy: 2.1285516701799843
Energy: 2.56376068087769
Energy: 2.2608353781743205
Energy: 2.118888406961788
Energy: 2.2608353781743205

minimum gb energy = 1.7524935576097231 eV
minimum distance =  2.42972445548872 Angstroms
sigma value = 5


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

Energy: 2.3690665778778053
Energy: 2.159119292254354
Energy: 2.9422025758935457
Energy: 2.159119292254354
Energy: 2.625880412481186
Energy: 2.151778380722506
Energy: 2.2677684411622026
Energy: 2.151778380725511
Energy: 2.045113453544153
Energy: 2.074485496122395
Energy: 2.1249659889303913
Energy: 2.074485496122395
Energy: 2.0450305107151365
Energy: 2.0280014571372518
Energy: 2.3246894757249983
Energy: 2.028001457128236
Energy: 1.9392685083716685
Energy: 2.0194044710296044
Energy: 2.000170798756262
Energy: 2.019404471028603
Energy: 2.1842197830519137
Energy: 2.092591270784227
Energy: 2.000008941513364
Energy: 2.0925912707832253
Energy: 2.193605373539127
Energy: 2.0077145871003292
Energy: 2.3431429266031327
Energy: 2.0077145871003292
Energy: 2.1946778277147243
Energy: 2.0448288562291292
Energy: 2.37583296128126
Energy: 2.044828856227126
Energy: 2.707744252126337
Energy: 1.9717566725659053
Energy: 2.188300172950703
Energy: 1.9717566725699123
Energy: 2.506912649129374
Energy: 1.9717531482677106
Energy: 2.1897367901337677
Energy: 1.971753148265707
Energy: 2.078792419248717
Energy: 2.0583159675006653
Energy: 2.338969806704334
Energy: 2.0583159675006653
Energy: 2.074600485814284
Energy: 2.0583660744312584
Energy: 1.9825869223511465
Energy: 2.05836607443226
Energy: 2.347414300177857
Energy: 2.389777160057149
Energy: 1.9852684742669717
Energy: 2.3897771600531414
Energy: 1.9894983460280902
Energy: 2.02686998745125
Energy: 1.983305942957531
Energy: 2.0268699874502483
Energy: 2.220397592418638
Energy: 2.4153618783938366
Energy: 2.4493150485651
Energy: 2.415361878392835
Energy: 2.674939828395773
Energy: 2.149889640260402
Energy: 2.33870496868753
Energy: 2.1498896402583982
Energy: 2.4735958842892365
Energy: 2.1002476387460334
Energy: 2.406204427859152
Energy: 2.1002476387450315
Energy: 2.103851326451374
Energy: 2.063526091715869
Energy: 2.375883112903951
Energy: 2.063526091715869
Energy: 2.1954832437019824
Energy: 1.9886119740824004
Energy: 2.1167516709186005
Energy: 1.9886119740824004
Energy: 2.0444351945221437
Energy: 2.0726954640995165
Energy: 2.0005756075310703
Energy: 2.0726954640985147
Energy: 2.0442601419417317
Energy: 2.02752524400334
Energy: 2.1166700382090813
Energy: 2.027525244000335
Energy: 2.2780533472951108
Energy: 2.019635059656026
Energy: 2.0613450908623006
Energy: 2.0196350596570274
Energy: 2.0449361797658896
Energy: 2.085669901498042
Energy: 2.0523844469189667
Energy: 2.085669901501048
Energy: 2.3565034295987948
Energy: 1.9784206726152456
Energy: 2.7322605927674988
Energy: 1.9784206726152456
Energy: 2.3548376618892854
Energy: 1.977783606193579
Energy: 2.691103203511578
Energy: 1.9777836061945806
Energy: 2.405694405939642
Energy: 2.019572855597755
Energy: 2.0613878870523954
Energy: 2.0195728555967536
Energy: 2.052111457126177
Energy: 2.021214654976746
Energy: 2.052104069686154
Energy: 2.0212146549727388
Energy: 2.136004282943115
Energy: 2.1989794323115857
Energy: 2.4116160499061365
Energy: 2.1989794323085805
Energy: 2.0440217397846867
Energy: 2.057764555993547
Energy: 2.000849052496785
Energy: 2.0577645559955506
Energy: 2.432530324658278
Energy: 2.2771609406542526
Energy: 2.2390055532220026
Energy: 2.2771609406542526
Energy: 2.1991160091094883
Energy: 2.065675571814047
Energy: 2.268699093217347
Energy: 2.065675571814047
Energy: 2.2562189894943083
Energy: 1.9536416822030576
Energy: 2.5885923190885896
Energy: 1.9536416822040594
Energy: 2.742967631514458
Energy: 2.151241072219076
Energy: 2.262132343476586
Energy: 2.151241072223083

minimum gb energy = 1.9392685083716685 eV
minimum distance =  2.43268773342569 Angstroms
sigma value = 1


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

Energy: 2.143612012944742
Energy: 1.941532343257534
Energy: 2.4633154359752574
Energy: 1.941532343257534
Energy: 2.0869752199522895
Energy: 2.1100134924216514
Energy: 2.0525629236233454
Energy: 2.1100134924230365
Energy: 2.226026420880812
Energy: 1.9813371181367374
Energy: 2.2736196099675614
Energy: 1.9813371181367374
Energy: 2.05052199938989
Energy: 1.989438716769318
Energy: 2.113188323756397
Energy: 1.9894387167706713
Energy: 1.9238488475107554
Energy: 1.9955422780262648
Energy: 1.9223746650477316
Energy: 1.9955422780262648
Energy: 1.924094223485737
Energy: 1.9230304123966573
Energy: 1.9227837355335504
Energy: 1.9230304123966573
Energy: 2.1073011327062336
Energy: 1.9821561251852413
Energy: 2.229441551540193
Energy: 1.9821561251852413
Energy: 2.1078784110751196
Energy: 1.9950654505447085
Energy: 2.2275366679567754
Energy: 1.9950654505447085
Energy: 2.4133834026404166
Energy: 1.9968340999488015
Energy: 2.0267020707052605
Energy: 1.9968340999488015
Energy: 2.4133834026404166
Energy: 1.9967601530188144
Energy: 2.0265300249189937
Energy: 1.9967601530188144
Energy: 2.107839140462965
Energy: 1.994997132636135
Energy: 2.2275366679581605
Energy: 1.994997132636135
Energy: 2.1073109410889024
Energy: 1.9819043150672973
Energy: 2.229441551540193
Energy: 1.9819043150672973
Energy: 1.9237954567733886
Energy: 1.9228212893055023
Energy: 1.9228066206406114
Energy: 1.9228212893068874
Energy: 1.9238483916749904
Energy: 1.9969023148295006
Energy: 1.9225018599267016
Energy: 1.9969023148295006
Energy: 2.0505181922523206
Energy: 1.989558437615499
Energy: 2.1132027398779076
Energy: 1.9895584376168844
Energy: 2.226026420880812
Energy: 1.981318029386398
Energy: 2.2736410177680084
Energy: 1.981318029386398
Energy: 2.0869421959224423
Energy: 2.1100867470503037
Energy: 2.0524695206909587
Energy: 2.1100867470503037
Energy: 2.143612012944742
Energy: 1.941532343257534
Energy: 2.463315435964177
Energy: 1.941532343257534
Energy: 2.0869752199522895
Energy: 2.1100134924230365
Energy: 2.0525629236247305
Energy: 2.1100134924216514
Energy: 2.226026420880812
Energy: 1.9813371181353525
Energy: 2.2736196099675614
Energy: 1.9813371181367374
Energy: 2.05052199938989
Energy: 1.989438716769318
Energy: 2.1131883237550118
Energy: 1.989438716769318
Energy: 1.9238488475107554
Energy: 1.9955422780262648
Energy: 1.9223746650463465
Energy: 1.9955422780262648
Energy: 1.924094223485737
Energy: 1.9230304123980106
Energy: 1.9227837355335504
Energy: 1.9230304123980106
Energy: 2.1073011327076183
Energy: 1.9821561251852413
Energy: 2.229441551540193
Energy: 1.9821561251852413

minimum gb energy = 1.9223746650463465 eV
minimum distance =  2.44917773222182 Angstroms
sigma value = 17


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

Energy: 2.4193198639274165
Energy: 2.0605290143982695
Energy: 2.8616498585959365
Energy: 2.0605290143982695
Energy: 2.4373450972932336
Energy: 2.175627147784291
Energy: 2.3116485926582175
Energy: 2.175627147788571
Energy: 2.0107193144761513
Energy: 1.978956010919578
Energy: 2.1481027490656417
Energy: 1.978956010919578
Energy: 2.085803926312028
Energy: 1.97150576856135
Energy: 2.3097122521473668
Energy: 1.9715057685630621
Energy: 2.0516970830884413
Energy: 1.9689565920306662
Energy: 2.0426181062321684
Energy: 1.9689565920349466
Energy: 2.1759996042777985
Energy: 2.050812944515316
Energy: 2.080196717586139
Energy: 2.050812944521309
Energy: 2.059831970369486
Energy: 1.9767817820881421
Energy: 1.9702209580847339
Energy: 1.9767817820889981
Energy: 2.0612847989845813
Energy: 1.9765341951780777
Energy: 2.0270639344672023
Energy: 1.976534195182358
Energy: 2.399381353452409
Energy: 1.9591969845674155
Energy: 2.268493978947787
Energy: 1.9591969845708397
Energy: 2.4825327205385865
Energy: 1.9590567436729451
Energy: 2.2642746147637576
Energy: 1.9590567436789375
Energy: 2.1219530638211115
Energy: 1.9538627079834932
Energy: 2.304907611766315
Energy: 1.9538627079826372
Energy: 2.1215520064852966
Energy: 1.9540323048701254
Energy: 2.31921006197326
Energy: 1.9540323048726937
Energy: 2.079894311213314
Energy: 2.002822127638195
Energy: 2.0788764523555905
Energy: 2.0028221276347704
Energy: 1.9830937105463866
Energy: 1.969257447860034
Energy: 2.066154502141883
Energy: 1.9692574478591778
Energy: 1.9838910055331687
Energy: 2.0106801046094094
Energy: 2.084823379686155
Energy: 2.010680104605985
Energy: 1.983648053099513
Energy: 1.9775765369475524
Energy: 2.032149360044328
Energy: 1.9775765369458402
Energy: 2.2746566778202886
Energy: 1.9449855775984948
Energy: 2.1776854627732356
Energy: 1.9449855776027754
Energy: 2.1326349964920475
Energy: 1.9852969315353564
Energy: 2.3560647324174075
Energy: 1.9852969315345
Energy: 2.2899034103452798
Energy: 2.0303586965869598
Energy: 2.3295718128325213
Energy: 2.030358696586104
Energy: 2.597168661355466
Energy: 2.04374621130341
Energy: 2.3044849389794413
Energy: 2.043746211305122
Energy: 2.2024604664656464
Energy: 2.150255653375159
Energy: 2.407326444607335
Energy: 2.15025565336831
Energy: 2.1127192815735865
Energy: 1.969629941753667
Energy: 2.0126490268756814
Energy: 1.9696299417519547
Energy: 2.2503703980757663
Energy: 2.219720560755535
Energy: 2.16130499780065
Energy: 2.2197205607589594
Energy: 2.006987343407483
Energy: 1.9777299025384227
Energy: 1.9759499235075715
Energy: 1.9777299025358546
Energy: 2.0708051426203884
Energy: 2.0106964413091184
Energy: 2.3565693372440997
Energy: 2.0106964413116866
Energy: 2.012786193001032
Energy: 1.9816429085531795
Energy: 2.0538974067527636
Energy: 1.9816429085566039
Energy: 2.387333446067762
Energy: 1.9705269895419752
Energy: 2.128249305195039
Energy: 1.9705269895394069
Energy: 2.38775972757783
Energy: 1.9362895011325845
Energy: 2.6342893759739536
Energy: 1.9362895011317283
Energy: 2.3820812789243138
Energy: 1.936543308749602
Energy: 2.641778044127825
Energy: 1.9365433087530264
Energy: 2.011140203742419
Energy: 1.9816478055745643
Energy: 2.053931668972946
Energy: 1.9816478055762763
Energy: 2.0157145298924255
Energy: 1.9709347785244447
Energy: 2.1281000791058053
Energy: 1.9709347785218763
Energy: 2.0414686863628013
Energy: 1.9972185762452035
Energy: 2.0725649616432906
Energy: 1.997218576243491
Energy: 2.040377109006601
Energy: 1.9793031028255113
Energy: 1.953688982553189
Energy: 1.979303102824655
Energy: 2.2175493064469873
Energy: 1.9749682924945782
Energy: 2.0125532016434615
Energy: 1.9749682924945782
Energy: 2.0905143446361683
Energy: 1.9722409803527114
Energy: 2.026293639532722
Energy: 1.9722409803535677
Energy: 2.3397376514533414
Energy: 1.9334959519676775
Energy: 2.3370348374514505
Energy: 1.9334959519668216
Energy: 2.6414829158599495
Energy: 2.044383673648681
Energy: 2.224377738179764
Energy: 2.0443836736478254
Energy: 2.2957226557545534
Energy: 2.0290927652050543
Energy: 2.407207921071517
Energy: 2.0290927652059105

minimum gb energy = 1.9334959519668216 eV
minimum distance =  2.45450007201866 Angstroms
sigma value = 89


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

Energy: 2.168050641122394
Energy: 1.873380997384607
Energy: 2.3685264441407625
Energy: 1.873380997384607
Energy: 2.1668921484918484
Energy: 2.039420165536047
Energy: 2.199886633082284
Energy: 2.039420165533807
Energy: 2.146888355107952
Energy: 1.8552709080400542
Energy: 1.9824118462702767
Energy: 1.855270908037814
Energy: 2.012039935756219
Energy: 1.916151384621218
Energy: 2.2497292456436853
Energy: 1.916151384621218
Energy: 2.07073143715035
Energy: 1.8881859753177126
Energy: 1.9305545143596272
Energy: 1.8881859753177126
Energy: 1.979656830804108
Energy: 2.1223260169261025
Energy: 2.094473647359613
Energy: 2.1223260169238625
Energy: 1.9790265554372712
Energy: 1.8555250563087535
Energy: 1.9324738257879113
Energy: 1.8555250563087535
Energy: 1.9790807945180546
Energy: 1.888818777578351
Energy: 2.2085865389771517
Energy: 1.888818777578351
Energy: 2.1496089409502415
Energy: 1.8885784707727324
Energy: 1.9516807692944556
Energy: 1.8885784707704922
Energy: 2.349657606538002
Energy: 1.888619516938112
Energy: 1.9522942651290183
Energy: 1.888619516938112
Energy: 2.106655789350945
Energy: 1.8558194121683655
Energy: 2.2079275581101103
Energy: 1.8558194121683655
Energy: 2.1070655172863213
Energy: 1.8557982825580546
Energy: 2.2098436068752245
Energy: 1.8557982825580546
Energy: 2.1473116768908187
Energy: 1.8883573954365862
Energy: 1.95154651401826
Energy: 1.8883573954365862
Energy: 2.1466458462668254
Energy: 1.8888159942764942
Energy: 1.9521974342650255
Energy: 1.8888159942764942
Energy: 1.979831721307627
Energy: 1.8883178501340216
Energy: 2.208097129679267
Energy: 1.8883178501407418

minimum gb energy = 1.855270908037814 eV
minimum distance =  2.45644224892976 Angstroms
sigma value = 13


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

Energy: 1.9991986639139698
Energy: 1.8241296401488836
Energy: 2.30815664660386
Energy: 1.8241296401488836
Energy: 1.9808237808775562
Energy: 1.8779747638457716
Energy: 1.9444656405261471
Energy: 1.8779747638476494
Energy: 1.9820566330680012
Energy: 1.738405853595024
Energy: 1.970604384443745
Energy: 1.738405853595963
Energy: 1.991808422557463
Energy: 1.7860868847483375
Energy: 1.9398216837256204
Energy: 1.7860868847492766
Energy: 1.8503685875388804
Energy: 1.7584134545140964
Energy: 1.9905955216594715
Energy: 1.7584134545140964
Energy: 2.0617163931446862
Energy: 1.7549478231908662
Energy: 1.9625876176587191
Energy: 1.7549478231899274
Energy: 1.8901729893803956
Energy: 1.7372387556860525
Energy: 1.889312905598858
Energy: 1.7372387556860525
Energy: 1.9428430476003682
Energy: 1.8306680661999426
Energy: 1.946785644235689
Energy: 1.830668066199004
Energy: 1.8748479022857463
Energy: 1.7582967247829606
Energy: 1.8951372058636955
Energy: 1.7582967247838994
Energy: 2.1766566373604705
Energy: 1.7560651541842727
Energy: 1.9815522510668155
Energy: 1.756065154182395
Energy: 1.9391915741701906
Energy: 1.7370896925212271
Energy: 1.9848192387757986
Energy: 1.7370896925212271
Energy: 1.9367128848755895
Energy: 1.7341766543313308
Energy: 2.290133566817752
Energy: 1.734176654330392
Energy: 1.9964717897788915
Energy: 1.8139601179430949
Energy: 1.9529659598745077
Energy: 1.8139601179421563
Energy: 2.1184468237193754
Energy: 1.8238415454000791
Energy: 2.158771474193298
Energy: 1.8238415454028956
Energy: 1.9391621280713596
Energy: 1.737209854591491
Energy: 1.9829740287124815
Energy: 1.737209854590552
Energy: 1.9367625842338794
Energy: 1.7337783666249043
Energy: 1.9826487348354422
Energy: 1.7337783666249043
Energy: 1.9970849946780465
Energy: 1.7589315050683942
Energy: 1.8950531975067482
Energy: 1.7589315050674557
Energy: 1.989640519288743
Energy: 1.7576740197402447
Energy: 1.9810890253787823
Energy: 1.7576740197411835
Energy: 1.8912304261960386
Energy: 1.7371134364438228
Energy: 1.8847421337117967
Energy: 1.7371134364438228
Energy: 1.884433547263933
Energy: 1.7365043869382155
Energy: 1.8912224461262428
Energy: 1.7365043869400933
Energy: 1.9811034945109132
Energy: 1.757654051964378
Energy: 1.989267879742883
Energy: 1.757654051965317
Energy: 1.8948001740096323
Energy: 1.7586244156321476
Energy: 1.997084994680863
Energy: 1.7586244156321476
Energy: 1.98264873483732
Energy: 1.7332937406511972
Energy: 1.9367169728582385
Energy: 1.7332937406502587
Energy: 1.98297402871342
Energy: 1.7374949281746443
Energy: 1.9392363662994925
Energy: 1.7374949281755834
Energy: 2.15862683069779
Energy: 1.8242631894339731
Energy: 2.1186379351528974
Energy: 1.8242631894339731
Energy: 1.952933559993698
Energy: 1.8140847709909806
Energy: 1.9964717897788915
Energy: 1.8140847709937546
Energy: 2.289759711301243
Energy: 1.7341954583344779
Energy: 1.9365997232879772
Energy: 1.7341954583344779
Energy: 1.9848192387776762
Energy: 1.7370358962154064
Energy: 1.9392297771375904
Energy: 1.7370358962163455
Energy: 1.981552730489206
Energy: 1.7562405557862681
Energy: 2.176661115959104
Energy: 1.7562405557862681
Energy: 1.8949419229668216
Energy: 1.7583197130657426
Energy: 1.8745292743133546
Energy: 1.7583197130657426
Energy: 1.9466401448544246
Energy: 1.830648964272335
Energy: 1.942789717930741
Energy: 1.8306489642713957
Energy: 1.8894296114926912
Energy: 1.7372704513825985
Energy: 1.890181747206214
Energy: 1.7372704513835373
Energy: 1.962713196218961
Energy: 1.755066405986891
Energy: 2.06169387462116
Energy: 1.7550664059859524
Energy: 1.9907670192701783
Energy: 1.7584058314726183
Energy: 1.8503453260745524
Energy: 1.7584058314716795
Energy: 1.9414124396456873
Energy: 1.7858669037339865
Energy: 1.9918231048504484
Energy: 1.785866903734925

minimum gb energy = 1.7332937406502587 eV
minimum distance =  2.46201979045748 Angstroms
sigma value = 37


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

Energy: 2.033757982848624
Energy: 1.7024072936813457
Energy: 2.2275205491939016
Energy: 1.7024072936797303
Energy: 1.8819156775806958
Energy: 1.7989524129152155
Energy: 1.9400463719170271
Energy: 1.7989524129152155
Energy: 1.9545547504773644
Energy: 1.6362868340546985
Energy: 1.9210572844864224
Energy: 1.6362868340546985
Energy: 2.0012539374711085
Energy: 1.6955690642574623
Energy: 1.9398563802671065
Energy: 1.6955690642558467
Energy: 1.8340239783267671
Energy: 1.6333045624727565
Energy: 1.956028706347103
Energy: 1.6333045624727565
Energy: 2.0192066104188875
Energy: 1.6575945778483527
Energy: 1.8791703193357139
Energy: 1.6575945778483527
Energy: 1.8153486583114395
Energy: 1.6340870406581876
Energy: 1.8143968201801486
Energy: 1.6340870406581876
Energy: 1.8976405688846505
Energy: 1.7828835941613213
Energy: 1.9428174294324996
Energy: 1.7828835941645518
Energy: 1.8181350907925766
Energy: 1.6340457894309213
Energy: 1.86545352466854
Energy: 1.6340457894293061
Energy: 2.0288554591703174
Energy: 1.658413051939061
Energy: 1.8802513080180492
Energy: 1.658413051939061
Energy: 1.8050966658671561
Energy: 1.6336758096328938
Energy: 1.8768557213958017
Energy: 1.6336758096328938
Energy: 1.8050357481404566
Energy: 1.6586055763563026
Energy: 2.113345386754932
Energy: 1.6586055763563026
Energy: 1.9545211451538254
Energy: 1.6297209239214305
Energy: 1.9197541120776163
Energy: 1.629720923923046
Energy: 1.7893851103578402
Energy: 1.6340181659939705
Energy: 1.8999657340064153
Energy: 1.6340181659939705
Energy: 1.9379450197761845
Energy: 1.6982875970816387
Energy: 1.9567510407978963
Energy: 1.6982875970816387
Energy: 1.9053655650476178
Energy: 1.7496664578436605
Energy: 2.027187447543609
Energy: 1.7496664578404666
Energy: 1.9548017533078617
Energy: 1.629481041126974
Energy: 1.9205898039233673
Energy: 1.629481041126974
Energy: 1.994734549887255
Energy: 1.6338758184340576
Energy: 1.9193496380434165
Energy: 1.633875818435673
Energy: 1.806587043735663
Energy: 1.6337037203277158
Energy: 1.95700926369041
Energy: 1.6337037203277158
Energy: 1.804294932545963
Energy: 1.658485845046997
Energy: 1.9564290419241797
Energy: 1.658485845043767

minimum gb energy = 1.629481041126974 eV
minimum distance =  2.4543360649496 Angstroms
sigma value = 25


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

Energy: 1.9171863144783985
Energy: 1.5539594341357814
Energy: 2.088869192693082
Energy: 1.5539594341357814
Energy: 1.7169738346258927
Energy: 1.634683172559708
Energy: 1.7752234199087793
Energy: 1.634683172555924
Energy: 1.9861361341814758
Energy: 1.4965207012770152
Energy: 1.8715621254593655
Energy: 1.496520701275754
Energy: 1.7759440696753286
Energy: 1.521303208461223
Energy: 1.7763630315220742
Energy: 1.5213032084599618
Energy: 1.7434330986271425
Energy: 1.4662155023912717
Energy: 1.7509925598920848
Energy: 1.4662155023925332
Energy: 1.7757624388549689
Energy: 1.4940324529042792
Energy: 1.8117310924422585
Energy: 1.4940324529017568
Energy: 1.718553093765182
Energy: 1.4642337281402462
Energy: 1.73596029968646
Energy: 1.4642337281402462
Energy: 1.7366697147881651
Energy: 1.4759081643111067
Energy: 1.849166258550755
Energy: 1.4759081643111067
Energy: 1.6623862558639717
Energy: 1.4649002540280949
Energy: 1.6814917260564524
Energy: 1.4649002540255724
Energy: 1.7801744271974849
Energy: 1.5360916109066185
Energy: 1.7171347162039756
Energy: 1.5360916109066185
Energy: 1.672482800030775
Energy: 1.4654260479611545
Energy: 1.69319547371551
Energy: 1.465426047958632
Energy: 1.7368410050729761
Energy: 1.4808438501534549
Energy: 1.807000104528742
Energy: 1.4808438501534549
Energy: 1.675009731863558
Energy: 1.4648004451250194
Energy: 1.6932200495139502
Energy: 1.4648004451224972
Energy: 1.9004719300141166
Energy: 1.4762749114040727
Energy: 1.692452684306641
Energy: 1.4762749114028113
Energy: 1.7148637610647852
Energy: 1.4632969684089154
Energy: 1.7466157824070572
Energy: 1.4632969684089154
Energy: 1.7519939571475387
Energy: 1.4613189872605825
Energy: 1.7758539115192447
Energy: 1.4613189872605825
Energy: 1.7615512768226302
Energy: 1.49382405410085
Energy: 1.7893665557481342
Energy: 1.4938240540995886
Energy: 1.6610752742824495
Energy: 1.6310077246148507
Energy: 1.7488756148118445
Energy: 1.6310077246161119
Energy: 1.7895590125196978
Energy: 1.550887395903045
Energy: 1.7462549689894438
Energy: 1.550887395903045
Energy: 1.7162988626105837
Energy: 1.5534659318857895
Energy: 1.7659722740302122
Energy: 1.5534659318870507
Energy: 1.759352266329186
Energy: 1.4936442472364284
Energy: 1.7893992757356187
Energy: 1.4936442472389513
Energy: 1.7942383820495034
Energy: 1.5221981362358894
Energy: 1.7483600806705542
Energy: 1.522198136234628
Energy: 1.714849130367074
Energy: 1.46340043684171
Energy: 1.7466946656896325
Energy: 1.46340043684171
Energy: 1.751680345615974
Energy: 1.4614645925202665
Energy: 1.8071055783536218
Energy: 1.4614645925215282
Energy: 1.717735702881763
Energy: 1.4652053699615388
Energy: 1.693199125112567
Energy: 1.4652053699628
Energy: 1.757546898231733
Energy: 1.476932629497294
Energy: 1.691447790115714
Energy: 1.4769326294960328

minimum gb energy = 1.4613189872605825 eV
minimum distance =  2.45564139345264 Angstroms
sigma value = 41


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

Energy: 1.891972214148832
Energy: 1.43038151182277
Energy: 1.8858326276110435
Energy: 1.430381511820702
Energy: 1.5853995816644213
Energy: 1.4712449706951547
Energy: 1.6354101081578123
Energy: 1.4712449706951547
Energy: 1.7999040262365853
Energy: 1.3831189291668138
Energy: 1.7674888971291702
Energy: 1.3831189291678476
Energy: 1.6323158887710882
Energy: 1.4191342622305356
Energy: 1.6354413840798672
Energy: 1.4191342622295018
Energy: 1.7436142871349067
Energy: 1.349373021888044
Energy: 1.6036934810141088
Energy: 1.3493730218849418
Energy: 1.6323876951420018
Energy: 1.3808923332519345
Energy: 1.651393382168046
Energy: 1.380892333257058
Energy: 1.5966100872165336
Energy: 1.3335585932616136
Energy: 1.6436895615052631
Energy: 1.333558593262648
Energy: 1.6723974401332775
Energy: 1.37334389345914
Energy: 1.6510395267216622
Energy: 1.37334389345914
Energy: 1.6409098491806358
Energy: 1.3330407220299554
Energy: 1.5787506905164577
Energy: 1.3330407220289213
Energy: 1.714375761674065
Energy: 1.409442744476347
Energy: 1.6306002355899378
Energy: 1.409442744476347
Energy: 1.5753551665954455
Energy: 1.3332049084799595
Energy: 1.5710679156109904
Energy: 1.3332049084809934
Energy: 1.5946430615816563
Energy: 1.3757521515056312
Energy: 1.661299989828438
Energy: 1.375752151506665
Energy: 1.5935211012444965
Energy: 1.3335678340186454
Energy: 1.5690180614965863
Energy: 1.3335678340207135
Energy: 1.6681184917307312
Energy: 1.34410796436715
Energy: 1.6327912070980786
Energy: 1.3441079643681844
Energy: 1.5990309349347547
Energy: 1.3327369818599593
Energy: 1.5603112304429625
Energy: 1.3327369818640953
Energy: 1.6040059610633435
Energy: 1.339736026159377
Energy: 1.7528767826113294
Energy: 1.3397360261562747
Energy: 1.5958873154681437
Energy: 1.3322132627813301
Energy: 1.6136148324882464
Energy: 1.3322132627833982
Energy: 1.6323774766756984
Energy: 1.3346903586609256
Energy: 1.643183884842581
Energy: 1.3346903586598915
Energy: 1.6739865919415993
Energy: 1.348460324120382
Energy: 1.6013317963373572
Energy: 1.3484603241183137
Energy: 1.6399551828374432
Energy: 1.4812883815397482
Energy: 1.6394018346288768
Energy: 1.4812883815407822
Energy: 1.7970103449339474
Energy: 1.3812800916092183
Energy: 1.662001094419993
Energy: 1.3812800916112862
Energy: 1.5846198759858663
Energy: 1.4367725039540735
Energy: 1.6368083572796042
Energy: 1.4367725039499373
Energy: 1.7876826392193415
Energy: 1.425154937188689
Energy: 1.6005333657232073
Energy: 1.425154937188689
Energy: 1.6152308722166644
Energy: 1.4530566989805294
Energy: 1.6390088413633797
Energy: 1.453056698974325
Energy: 1.8091927190508585
Energy: 1.3810958355885958
Energy: 1.6629621565609398
Energy: 1.381095835591698
Energy: 1.6324308060897903
Energy: 1.3857624636233
Energy: 1.6355635065298268
Energy: 1.3857624636191632
Energy: 1.6738339681081307
Energy: 1.3485108613084984
Energy: 1.5997334179002698
Energy: 1.3485108613116008
Energy: 1.642097427410464
Energy: 1.3659532781419974
Energy: 1.655035028015929
Energy: 1.3659532781450994
Energy: 1.597800273470924
Energy: 1.33214097802835
Energy: 1.6136397894930328
Energy: 1.332140978027316
Energy: 1.6680983205912479
Energy: 1.332496967846455
Energy: 1.6464773622522915
Energy: 1.332496967846455
Energy: 1.599043791646791
Energy: 1.3330203808325538
Energy: 1.5780252156734902
Energy: 1.3330203808377241
Energy: 1.602549402018702
Energy: 1.3417770533239999
Energy: 1.6753709478747933
Energy: 1.3417770533250342

minimum gb energy = 1.332140978027316 eV
minimum distance =  2.46515972859006 Angstroms
sigma value = 15


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

Energy: 1.778813947961047
Energy: 1.326340945637537
Energy: 1.7945275251341337
Energy: 1.3263409456384132
Energy: 1.4972434459489916
Energy: 1.429552997452477
Energy: 1.5216056733113057
Energy: 1.429552997448973
Energy: 1.659661261466608
Energy: 1.2884823630905555
Energy: 1.7065999879305405
Energy: 1.2884823630888034
Energy: 1.5295858634633404
Energy: 1.328040123849956
Energy: 1.5215415806720654
Energy: 1.328040123852584
Energy: 1.653819480945152
Energy: 1.2631409494059356
Energy: 1.4926305525850092
Energy: 1.2631409494059356
Energy: 1.529328534848447
Energy: 1.294724165090123
Energy: 1.5292523702191243
Energy: 1.294724165090123
Energy: 1.4801756322347355
Energy: 1.2380051154120362
Energy: 1.6055624167029316
Energy: 1.238005115409408
Energy: 1.5503768580470727
Energy: 1.6606060416321526
Energy: 1.5282386293195482
Energy: 1.6606060416295247
Energy: 1.5599682005814777
Energy: 1.2293240160332646
Energy: 1.4757155988499338
Energy: 1.2293240160315124
Energy: 1.5496416207456825
Energy: 1.256282309429753
Energy: 1.5642365899385653
Energy: 1.256282309432381
Energy: 1.4836607036093163
Energy: 1.2285697041351291
Energy: 1.5361166233778236
Energy: 1.2285697041386334
Energy: 1.572293520659879
Energy: 1.2791489324863057
Energy: 1.606200460528318
Energy: 1.2791489324863057
Energy: 1.4972319734395279
Energy: 1.2285481195221983
Energy: 1.469805351338587
Energy: 1.2285481195160664
Energy: 1.5740975035076268
Energy: 1.2572299275177103
Energy: 1.5035097311020984
Energy: 1.2572299275150824
Energy: 1.4890709717213346
Energy: 1.2291898442558093
Energy: 1.501582373936726
Energy: 1.2291898442584375
Energy: 1.5487580719197969
Energy: 1.2552790696534066
Energy: 1.5613895452472712
Energy: 1.255279069656911
Energy: 1.470041694304645
Energy: 1.2283647464361482
Energy: 1.4883844889774875
Energy: 1.2283647464352723
Energy: 1.6409892683773868
Energy: 1.2338932875042887
Energy: 1.5295544154980383
Energy: 1.2338932875069166
Energy: 1.5223664589955392
Energy: 1.2285062462388836
Energy: 1.507433416226094
Energy: 1.2285062462406355
Energy: 1.5521613630184214
Energy: 1.2547200041065958
Energy: 1.5314753138393604
Energy: 1.2547200041065958
Energy: 1.485007781373875
Energy: 1.2377282355101205
Energy: 1.533232102603123
Energy: 1.2377282355136243
Energy: 1.5206112638606053
Energy: 1.3718340350839782
Energy: 1.5478383731135075
Energy: 1.3718340350857303
Energy: 1.5609077706793915
Energy: 1.2610398348098584
Energy: 1.565657862738606
Energy: 1.2610398348089824
Energy: 1.529315291057911
Energy: 1.3921799794194143
Energy: 1.5217299811325848
Energy: 1.3921799794132823
Energy: 1.6585187941558481
Energy: 1.2857093802687067
Energy: 1.5880304943370234
Energy: 1.2857093802669544
Energy: 1.4833637483338122
Energy: 1.3522065687360316
Energy: 1.5457786156083184
Energy: 1.3522065687377836
Energy: 1.6185313950912155
Energy: 1.3269977770809271
Energy: 1.4902764091642726
Energy: 1.3269977770809271
Energy: 1.499558855894028
Energy: 1.3725858693861526
Energy: 1.5216993892342847
Energy: 1.3725858693887805
Energy: 1.664835522593629
Energy: 1.2858333401184379
Energy: 1.588214074557349
Energy: 1.285833340119314
Energy: 1.520302362371255
Energy: 1.3045080403544873
Energy: 1.5457447751827367
Energy: 1.3045080403518594
Energy: 1.560733084997784
Energy: 1.260550126821548
Energy: 1.489631381025949
Energy: 1.2605501268241759
Energy: 1.5296715122869127
Energy: 1.2945851140587963
Energy: 1.5287154915109369
Energy: 1.2945851140552924
Energy: 1.4804406358176314
Energy: 1.2375650055797254
Energy: 1.533503869030648
Energy: 1.2375650055753453
Energy: 1.5435484521385503
Energy: 1.2502436702324133
Energy: 1.5474719415311182
Energy: 1.2502436702297854
Energy: 1.522280246019185
Energy: 1.228396129125866
Energy: 1.468390808476132
Energy: 1.22839612912499
Energy: 1.5465090148247813
Energy: 1.2575697847242762
Energy: 1.5610274674743032
Energy: 1.257569784725152
Energy: 1.4784228757420703
Energy: 1.228471390066209
Energy: 1.4884506254044185
Energy: 1.228471390067961

minimum gb energy = 1.2283647464352723 eV
minimum distance =  2.46935874041523 Angstroms
sigma value = 85


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

Energy: 1.8688743776183374
Energy: 1.263562276156213
Energy: 1.6693361508607971
Energy: 1.2635622761546936
Energy: 1.3914359650309869
Energy: 1.195192556410042
Energy: 1.3986308472230309
Energy: 1.1951925564024444
Energy: 1.5518569131075648
Energy: 1.2325262318157295
Energy: 1.7125412913268352
Energy: 1.2325262318126906
Energy: 1.4157425705582438
Energy: 1.2179469724818037
Energy: 1.3986998127247834
Energy: 1.217946972480284
Energy: 1.6513486565794795
Energy: 1.1801525597446538
Energy: 1.4678313681718929
Energy: 1.1801525597423745
Energy: 1.4154719371602467
Energy: 1.2877082034970764
Energy: 1.4348733817075006
Energy: 1.287708203498596
Energy: 1.3876055963018943
Energy: 1.1663114104573726
Energy: 1.5871989541101033
Energy: 1.1663114104588923
Energy: 1.4343326159554137
Energy: 1.1617062540878869
Energy: 1.4348832582027817
Energy: 1.1617062540886467
Energy: 1.5451320243725462
Energy: 1.1342139238429065
Energy: 1.395613329427345
Energy: 1.134213923841387
Energy: 1.4348329672908458
Energy: 1.1527843028343843
Energy: 1.4489465019560501
Energy: 1.1527843028328646
Energy: 1.3762124776582374
Energy: 1.1341807428292323
Energy: 1.4932314057244156
Energy: 1.1341807428284725
Energy: 1.4663131655337631
Energy: 1.1422583278251517
Energy: 1.4491728827108665
Energy: 1.1422583278266714
Energy: 1.4702378317127724
Energy: 1.1340815744768806
Energy: 1.3960818709896399
Energy: 1.1340815744806794
Energy: 1.4661152772028636
Energy: 1.1707082306001402
Energy: 1.4833065722779362
Energy: 1.1707082305986207
Energy: 1.3757947929609802
Energy: 1.1341421721932563
Energy: 1.4304134722563382
Energy: 1.1341421721924965
Energy: 1.4280741651545026
Energy: 1.1572986890874384
Energy: 1.4817914866931015
Energy: 1.157298689085919
Energy: 1.4268888129344155
Energy: 1.1343347642514434
Energy: 1.4069530452123173
Energy: 1.1343347642514434
Energy: 1.4669142010244556
Energy: 1.1578490371573567
Energy: 1.4663496512754068
Energy: 1.1578490371588763
Energy: 1.4039499775253745
Energy: 1.134323176883674
Energy: 1.400380971244821
Energy: 1.1343231768844335
Energy: 1.4418263878341067
Energy: 1.131008955515844
Energy: 1.5443760897756245
Energy: 1.131008955515844
Energy: 1.4176000214800284
Energy: 1.1338918347646134
Energy: 1.4426021811575618
Energy: 1.1338918347646134
Energy: 1.4351490605181636
Energy: 1.1433104441256332
Energy: 1.4702690089622619
Energy: 1.1433104441293975
Energy: 1.447563345169571
Energy: 1.1336901841041866
Energy: 1.390453068227828
Energy: 1.133690184100388
Energy: 1.4505934235413747
Energy: 1.2865861560062068
Energy: 1.4142173260884383
Energy: 1.2865861560054472
Energy: 1.437848922540778
Energy: 1.1658065948638021
Energy: 1.4897473747344394
Energy: 1.1658065948645275
Energy: 1.4154287510189543
Energy: 1.2764454625066504
Energy: 1.4350023492065598
Energy: 1.276445462505131
Energy: 1.5197698812585871
Energy: 1.179212806979513
Energy: 1.468146441702019
Energy: 1.179212806979513
Energy: 1.4549988735208803
Energy: 1.2114564824063647
Energy: 1.363187566667113
Energy: 1.2114564824056049
Energy: 1.5531627147612608
Energy: 1.2316919386567184
Energy: 1.523863142868178
Energy: 1.2316919386559586
Energy: 1.3914444077834174
Energy: 1.2650814048589003
Energy: 1.398565784162511
Energy: 1.2650814048596601
Energy: 1.6257456195101088
Energy: 1.26006404390373
Energy: 1.3946354365900437
Energy: 1.2600640439044897
Energy: 1.5230372082622656
Energy: 1.2519226306155056
Energy: 1.3635188056498582
Energy: 1.2519226306162652
Energy: 1.5518367843749608
Energy: 1.2316792230400508
Energy: 1.5238402431905522
Energy: 1.2316792230408107
Energy: 1.415560754532297
Energy: 1.218431129304604
Energy: 1.3996226568940953
Energy: 1.218431129303119
Energy: 1.519690651440211
Energy: 1.1792933489133435
Energy: 1.3946935649223213
Energy: 1.1792933489141033
Energy: 1.4548103903336596
Energy: 1.1746563532694956
Energy: 1.4143564131546418
Energy: 1.1746563532702554
Energy: 1.3865178295550504
Energy: 1.1655231754150808
Energy: 1.4897058234999476
Energy: 1.1655231754158406
Energy: 1.434286993035001
Energy: 1.16191949894552
Energy: 1.4353715627758903
Energy: 1.1619194989447603
Energy: 1.447552027084305
Energy: 1.1336997238705202
Energy: 1.390490762979033
Energy: 1.13369972387128
Energy: 1.4505831210038092
Energy: 1.1350517082844702
Energy: 1.4516942808959061
Energy: 1.1350517082844702
Energy: 1.3763692545249755
Energy: 1.1336678861427507
Energy: 1.4426277031166939
Energy: 1.1336678861442702
Energy: 1.4675408003548425
Energy: 1.1421567451406485
Energy: 1.4491316771376677
Energy: 1.1421567451406485
Energy: 1.4038913879866222
Energy: 1.1214989139106417
Energy: 1.3981888125197295
Energy: 1.121498913909122

minimum gb energy = 1.121498913909122 eV
minimum distance =  2.47179032322831 Angstroms
sigma value = 113


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

Energy: 0.01962416888962585
Energy: 0.019815524965228485
Energy: 2.335210249416884
Energy: 0.0198155249657801
Energy: 0.02065386442132656
Energy: 1.4254798013702148
Energy: 0.02065386442132656
Energy: 1.4254798013702148
Energy: 2.1181675542478797
Energy: 0.0198155249657801
Energy: 0.01962416888962585
Energy: 0.019815524965228485
Energy: 0.02065386442132656
Energy: 1.4254798013702148
Energy: 0.02065386442132656
Energy: 1.4254798013702148
Energy: 0.01962416888962585
Energy: 0.0198155249657801
Energy: 2.335210249416884
Energy: 0.0198155249657801
Energy: 0.02065386442132656
Energy: 1.4254798013702148
Energy: 0.02065386442132656
Energy: 1.4254798013702148

minimum gb energy = 0.01962416888962585 eV
minimum distance =  2.67929307181932 Angstroms
sigma value = 1