Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_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=3.17069959640503
cohesive_energy=3.1278918027780973
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: -7.72422066253157 eV

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

Energy: 0.007882152235503608
Energy: 0.008292528806914043
Energy: 6.6908612080143115
Energy: 0.008292528806914043
Energy: 0.008292528806914043
Energy: 0.008136420926341441
Energy: 1.620517332689366
Energy: 0.008136420926341441
Energy: 6.6908612080143115
Energy: 1.620517332689366
Energy: 0.007890059155109451
Energy: 1.620517332689366
Energy: 0.008292528806914043
Energy: 0.008136420926341441
Energy: 1.620517332689366
Energy: 0.008136420926341441

minimum gb energy = 0.007882152235503608 eV
minimum distance =  2.74343058431385 Angstroms
sigma value = 1


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

Energy: 2.286904513245654
Energy: 2.1931999076120263
Energy: 2.0246575641921605
Energy: 2.1931999076130153
Energy: 2.5491460738809946
Energy: 2.0285271240566485
Energy: 1.8044976631862608
Energy: 2.028527124057637
Energy: 2.647615764456694
Energy: 1.8047036168207413
Energy: 1.7656907338846133
Energy: 1.8047036168207413
Energy: 2.2273229085525585
Energy: 2.081627946799393
Energy: 1.8047895612035936
Energy: 2.0816279468003813
Energy: 2.2282182641714683
Energy: 2.081247505409115
Energy: 2.2659749801280338
Energy: 2.081247505409115
Energy: 2.495970959882121
Energy: 1.9253516675363578
Energy: 1.7519421798803805
Energy: 1.9253516675363578
Energy: 1.9834000934808704
Energy: 2.0588800651043564
Energy: 1.7519936942000423
Energy: 2.0588800651053454
Energy: 1.7671694045335795
Energy: 1.7469858769605735
Energy: 2.2659730164438145
Energy: 1.7469858769605735
Energy: 1.9813074997367361
Energy: 2.0599661027316873
Energy: 2.2148703101947884
Energy: 2.0599661027316873
Energy: 2.554565647418113
Energy: 2.0558228473042996
Energy: 1.9752646355231034
Energy: 2.0558228473042996
Energy: 1.764597206773182
Energy: 2.0821918652683187
Energy: 2.2149144505378366
Energy: 2.0821918652683187
Energy: 1.7646701156304947
Energy: 1.7649041178155254
Energy: 3.1328605398970315
Energy: 1.7649041178155254
Energy: 2.0400904936768516
Energy: 2.084857989263424
Energy: 2.265202099302215
Energy: 2.084857989263424
Energy: 1.8005663131905068
Energy: 2.078426266663021
Energy: 2.2539559263106486
Energy: 2.07842626666401
Energy: 1.7816717493840644
Energy: 1.9238910859779146
Energy: 2.5048139092390094
Energy: 1.9238910859779146
Energy: 1.799276446200392
Energy: 2.011621933868926
Energy: 2.5047246533891636
Energy: 2.011621933868926
Energy: 1.8029171587765387
Energy: 2.07852832706894
Energy: 2.2486237075729067
Energy: 2.07852832706894
Energy: 2.0399697993496058
Energy: 2.0820745731858206
Energy: 2.271049339171403
Energy: 2.0820745731858206
Energy: 1.756085849305198
Energy: 1.7650263226815002
Energy: 3.1781401254393615
Energy: 1.7650263226815002
Energy: 1.764621361655373
Energy: 2.079929821999214
Energy: 1.9740963288717006
Energy: 2.079929821999214
Energy: 2.5541295427715305
Energy: 2.0567001820153425
Energy: 1.9797779606772155
Energy: 2.0567001820153425
Energy: 1.979920424184913
Energy: 1.9397413774047365
Energy: 2.215076002068496
Energy: 1.9397413774047365
Energy: 1.8647967462674988
Energy: 1.7533096661706036
Energy: 2.0001728517094626
Energy: 1.7533096661706036
Energy: 2.227803696735275
Energy: 2.0574010638077573
Energy: 1.7518753594370258
Energy: 2.0574010638077573
Energy: 2.49576862321324
Energy: 1.9271504135543327
Energy: 1.752383147847022
Energy: 1.9271504135543327
Energy: 2.231099067297399
Energy: 2.07953917625367
Energy: 2.2659771697252564
Energy: 2.07953917625367
Energy: 2.2294339632246643
Energy: 2.0805991240017145
Energy: 1.781127892018004
Energy: 2.0805991240017145
Energy: 2.8028932587300415
Energy: 1.8044561673353559
Energy: 1.7666815913788605
Energy: 1.8044561673353559
Energy: 2.5432291812160694
Energy: 2.0284710222232536
Energy: 1.8046074548623354
Energy: 2.0284710222242426
Energy: 2.288188333478135
Energy: 2.12687018130357
Energy: 1.8101337309076646
Energy: 2.12687018130357
Energy: 2.5394722501142204
Energy: 2.028346187674713
Energy: 1.7817884024385404
Energy: 2.028346187674713
Energy: 2.496133046183829
Energy: 1.7605299683736786
Energy: 1.766925943917468
Energy: 1.7605299683736786
Energy: 2.2284155807290764
Energy: 2.0809343099751554
Energy: 1.804786784043139
Energy: 2.0809343099751554

minimum gb energy = 1.7469858769605735 eV
minimum distance =  2.44145445145574 Angstroms
sigma value = 1


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

Energy: 2.379779345843415
Energy: 2.2284842529068514
Energy: 2.3874872225492867
Energy: 2.2284842529068514
Energy: 2.360140451202699
Energy: 2.169331475302462
Energy: 1.9880150567467505
Energy: 2.169331475302462
Energy: 2.3570567903722717
Energy: 1.8529025480156704
Energy: 1.8530752116204023
Energy: 1.8529025480156704
Energy: 1.8319189393510857
Energy: 2.1462258976043413
Energy: 1.9876416695896812
Energy: 2.1462258976043413
Energy: 1.8319587464228158
Energy: 2.1459262392643796
Energy: 2.502866612012813
Energy: 2.1459262392643796
Energy: 2.3569412470665903
Energy: 1.8307061393729647
Energy: 1.830157985938421
Energy: 1.8307061393729647
Energy: 1.8303816047872412
Energy: 2.1691316750828102
Energy: 1.8301904252454637
Energy: 2.1691316750828102
Energy: 1.8301697182527819
Energy: 1.8306219956078453
Energy: 2.5028688305908027
Energy: 1.8306219956078453
Energy: 1.8303027901897033
Energy: 2.019445167227894
Energy: 2.3563406306338015
Energy: 2.019445167227894
Energy: 1.99074385771207
Energy: 1.8319853886162645
Energy: 1.8321179368187643
Energy: 1.8319853886162645
Energy: 1.8530259550119006
Energy: 2.1454565653487365
Energy: 2.356585850887197
Energy: 2.1454565653487365
Energy: 1.831080542184169
Energy: 2.003723904555237
Energy: 3.0112097155629742
Energy: 2.003723904555237
Energy: 1.9895535786349923
Energy: 2.1679623012261273
Energy: 2.36179826954793
Energy: 2.1679623012261273
Energy: 1.9895535786349923
Energy: 2.1679403172225693
Energy: 2.3618494925146116
Energy: 2.1679403172225693
Energy: 1.830913055537516
Energy: 2.0037261685214496
Energy: 3.011246427216593
Energy: 2.0037261685214496
Energy: 1.8530347767989483
Energy: 2.1454571419585378
Energy: 2.3565677369836817
Energy: 2.1454571419585378
Energy: 1.99074385771207
Energy: 1.8319856807103772
Energy: 1.8321032064810527
Energy: 1.8319856807103772
Energy: 1.8303026754688179
Energy: 2.019620152390296
Energy: 2.3563291283821037
Energy: 2.019620152390296
Energy: 1.8301732110266515
Energy: 1.83065598917068
Energy: 2.5028688305908027
Energy: 1.8306559891695526
Energy: 1.83040416380489
Energy: 2.169041658554087
Energy: 1.83016222177225
Energy: 2.169041658555188
Energy: 2.356877735590725
Energy: 1.8307060769448478
Energy: 1.8301560154794432
Energy: 1.8307060769448478
Energy: 1.8319852753423485
Energy: 2.1459189930248104
Energy: 2.502866612012813
Energy: 2.1459189930248104
Energy: 1.8319567794144067
Energy: 2.145737685958503
Energy: 1.9876416695908086
Energy: 2.145737685958503
Energy: 2.357248201929603
Energy: 1.8529036926122069
Energy: 1.8530688885760533
Energy: 1.8529036926122069
Energy: 2.360055132986044
Energy: 2.169376596923591
Energy: 1.988015056745623
Energy: 2.169376596923591
Energy: 2.3797793458422873
Energy: 2.2284842529068514
Energy: 2.3874893364178016
Energy: 2.2284842529068514
Energy: 2.360140451202699
Energy: 2.169331475303589
Energy: 1.9880150567467505
Energy: 2.169331475302462
Energy: 2.3570567903722717
Energy: 1.8529025480156704
Energy: 1.8530752116204023
Energy: 1.8529025480156704
Energy: 1.8319189393499584
Energy: 2.1462258976043413
Energy: 1.9876416695896812
Energy: 2.1462258976043413

minimum gb energy = 1.8301560154794432 eV
minimum distance =  2.42506537207209 Angstroms
sigma value = 25


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

Energy: 2.3278591981745627
Energy: 2.1141227296511422
Energy: 2.6694600442856453
Energy: 2.1141227296511422
Energy: 2.5980856764130538
Energy: 2.1097174317066343
Energy: 2.0585547930236956
Energy: 2.1097174317066343
Energy: 2.585220483742771
Energy: 1.9684630187948977
Energy: 1.968056064711802
Energy: 1.9684630187948977
Energy: 2.259204903129532
Energy: 1.9324605017141352
Energy: 2.05884152391109
Energy: 1.9324605017128247
Energy: 2.263543881089334
Energy: 1.9324831949298622
Energy: 2.2853488163606857
Energy: 1.9324831949298622
Energy: 2.5851449916670175
Energy: 1.9411372285357371
Energy: 1.9405996816481312
Energy: 1.9411372285357371
Energy: 1.9693607826394737
Energy: 1.9326174449391875
Energy: 1.940544590883095
Energy: 1.9326174449391875
Energy: 1.942447666362815
Energy: 1.969397153056864
Energy: 2.66326235096843
Energy: 1.969397153056864
Energy: 1.9700984818587504
Energy: 1.932102125932856
Energy: 2.263890015058685
Energy: 1.932102125932856
Energy: 2.0477722993416876
Energy: 1.9645139785921475
Energy: 2.266315723016157
Energy: 1.964513978590837
Energy: 2.0034996412782737
Energy: 1.932133027795861
Energy: 2.563191720339905
Energy: 1.93213302779455
Energy: 2.0500561113820646
Energy: 1.9694288517988228
Energy: 2.5632314656812207
Energy: 1.9694288517988228
Energy: 2.0478823883546724
Energy: 1.9643739956999
Energy: 2.263441168484038
Energy: 1.9643739956999
Energy: 1.9710709407455669
Energy: 1.9323808795575812
Energy: 2.265419652073965
Energy: 1.9323808795575812
Energy: 1.944747247336732
Energy: 1.9697989247071148
Energy: 3.0154749425252616
Energy: 1.9697989247071148
Energy: 1.9692970954641478
Energy: 1.932745416432247
Energy: 1.9406542021532016
Energy: 1.932745416432247
Energy: 3.053828806929505
Energy: 1.9410597366620013
Energy: 1.940587593760859
Energy: 1.9410597366620013
Energy: 2.25888398350544
Energy: 1.9323633775856006
Energy: 2.284937509756836
Energy: 1.9323633775856006
Energy: 2.109485429175066
Energy: 1.9318968172531006
Energy: 2.058729143669191
Energy: 1.9318968172531006
Energy: 2.2593336620355036
Energy: 1.9408390306630194
Energy: 1.9694815946643442
Energy: 1.9408390306630194
Energy: 2.5980301734968037
Energy: 2.110001215119314
Energy: 1.9594137502082618
Energy: 2.110001215119314
Energy: 2.3306128650098294
Energy: 1.964523800419336
Energy: 2.190204393975928
Energy: 1.964523800419336
Energy: 2.5999536345215755
Energy: 1.9645297349644757
Energy: 2.0586695344630015
Energy: 1.9645297349644757
Energy: 2.585649189546727
Energy: 1.968109906176191
Energy: 1.969682509741706
Energy: 1.968109906176191
Energy: 2.263611861316922
Energy: 1.9325361106062535
Energy: 1.968397851171039
Energy: 1.9325361106062535

minimum gb energy = 1.9318968172531006 eV
minimum distance =  2.55649517245358 Angstroms
sigma value = 9


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

Energy: 2.317506002498049
Energy: 2.318113318168603
Energy: 2.145967631280771
Energy: 2.318113318168603
Energy: 2.31856900056263
Energy: 2.0570582651964653
Energy: 2.05597961371498
Energy: 2.0570582651964653
Energy: 2.2632967765834735
Energy: 2.079170224669883
Energy: 2.0817801522827657
Energy: 2.079170224669883
Energy: 2.2662064175302055
Energy: 2.056031494403241
Energy: 2.0797889439707857
Energy: 2.056031494403241
Energy: 2.262513036028275
Energy: 2.0562240622977197
Energy: 2.262711907995219
Energy: 2.0562240622977197
Energy: 2.994501781334617
Energy: 2.056053463239618
Energy: 2.2656275582082026
Energy: 2.056053463239618
Energy: 2.0789719095370938
Energy: 2.0562714365723207
Energy: 2.262621582691087
Energy: 2.0562714365723207
Energy: 2.057822105429899
Energy: 2.0795809948966744
Energy: 2.755517370758313
Energy: 2.0795809948966744
Energy: 2.3560814804528714
Energy: 2.0146976467069697
Energy: 2.0155479246586854
Energy: 2.0146976467069697
Energy: 2.357913587133804
Energy: 2.0159758806561796
Energy: 2.0153643303529125
Energy: 2.0159758806561796
Energy: 2.0560872267799564
Energy: 2.0120131740317735
Energy: 2.755487122612791
Energy: 2.0120131740317735
Energy: 2.055975190654305
Energy: 2.125127024315784
Energy: 2.2626947615865696
Energy: 2.125127024315784
Energy: 2.3565779331358017
Energy: 2.0561388617302145
Energy: 2.259705321961003
Energy: 2.0561388617302145
Energy: 2.2627199806706093
Energy: 2.1246692424056706
Energy: 2.262726659873722
Energy: 2.1246692424056706
Energy: 2.2597185873049765
Energy: 2.255890893195401
Energy: 2.3247397082294694
Energy: 2.255890893195401
Energy: 2.2627089413583614
Energy: 2.015503261348647
Energy: 2.0801346650890777
Energy: 2.015503261348647
Energy: 2.8552853446749884
Energy: 2.1708394987813757
Energy: 2.058125180063826
Energy: 2.1708394987813757
Energy: 2.3174282747435457
Energy: 2.3185432388309266
Energy: 2.323861948086303
Energy: 2.3185432388309266
Energy: 2.3173460445603236
Energy: 2.0574898643374073
Energy: 2.3238115237249617
Energy: 2.0574898643374073
Energy: 2.8552904541921618
Energy: 2.079437068728828
Energy: 2.0576757882308887
Energy: 2.079437068728828
Energy: 2.262583301699498
Energy: 2.0562906179796583
Energy: 2.0788764916589195
Energy: 2.0562906179796583

minimum gb energy = 2.0120131740317735 eV
minimum distance =  2.49217261455719 Angstroms
sigma value = 25


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

Energy: 2.2544700407152605
Energy: 2.676511438756928
Energy: 3.0852563797896724
Energy: 2.676511438756928
Energy: 2.70180746059107
Energy: 2.2445638646970805
Energy: 2.181600266529686
Energy: 2.2445638646970805
Energy: 2.2287555393173553
Energy: 2.199132767043812
Energy: 2.198893625480169
Energy: 2.199132767043812
Energy: 2.1595853479201748
Energy: 2.22767445405953
Energy: 2.183229264263039
Energy: 2.22767445405953
Energy: 2.2266373998314237
Energy: 2.243746651389093
Energy: 2.7345591688787603
Energy: 2.243746651389093
Energy: 2.8090345725647126
Energy: 2.17949780505156
Energy: 2.1784770481781166
Energy: 2.17949780505156
Energy: 2.2776475768708924
Energy: 2.2283277480369734
Energy: 2.1791244993074734
Energy: 2.2283277480369734
Energy: 2.3062682900276754
Energy: 2.3476977266950674
Energy: 2.7353750962691867
Energy: 2.3476977266950674
Energy: 2.3487772913668468
Energy: 2.1804929797168455
Energy: 2.178577083438223
Energy: 2.1804929797168455
Energy: 2.2304056535596684
Energy: 2.1807790279533843
Energy: 2.178801133042143
Energy: 2.1807790279533843
Energy: 2.170128632386323
Energy: 2.2295202427570695
Energy: 2.744157387486866
Energy: 2.2295202427570695
Energy: 2.226466165156133
Energy: 2.180575738869654
Energy: 2.1987553088280984
Energy: 2.180575738869654
Energy: 2.722977589480631
Energy: 2.183029121416442
Energy: 2.181829685273126
Energy: 2.183029121416442
Energy: 2.7017929417172084
Energy: 2.2438170560603568
Energy: 2.4022773872100376
Energy: 2.2438170560603568
Energy: 2.7016880774541665
Energy: 2.243306655579203
Energy: 2.398336777909417
Energy: 2.243306655579203
Energy: 2.7034018981880545
Energy: 2.1716080498500165
Energy: 2.1863287594911887
Energy: 2.1716080498500165
Energy: 2.2266295057865633
Energy: 2.179438341002839
Energy: 2.199067344870007
Energy: 2.179438341002839

minimum gb energy = 2.1595853479201748 eV
minimum distance =  2.50438575168622 Angstroms
sigma value = 17


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

Energy: 2.5749159727845536
Energy: 2.5654134921425102
Energy: 2.7402890760765533
Energy: 2.5654134921425102
Energy: 2.6853793278016402
Energy: 2.2718602292320527
Energy: 2.235968880621268
Energy: 2.2718602292320527
Energy: 2.2782109120699623
Energy: 2.2377027883976868
Energy: 2.2222071623242448
Energy: 2.2377027883976868
Energy: 2.207527343741113
Energy: 2.205915739296355
Energy: 2.237967029028749
Energy: 2.205915739296355
Energy: 2.203172841080219
Energy: 2.2701047119051463
Energy: 2.549815117513995
Energy: 2.2701047119051463
Energy: 2.8303560598380186
Energy: 2.2002219094504714
Energy: 2.2619023650169363
Energy: 2.2002219094504714
Energy: 2.304612437357226
Energy: 2.205906222178127
Energy: 2.5499321836687767
Energy: 2.2059062221770325
Energy: 2.275535519974105
Energy: 2.2054392699204177
Energy: 2.592257839538404
Energy: 2.2054392699204177
Energy: 2.240392069264973
Energy: 2.239503296796187
Energy: 2.2073350648310983
Energy: 2.239503296796187
Energy: 2.555217450330124
Energy: 2.29331064999291
Energy: 2.2379608467596013
Energy: 2.29331064999291
Energy: 2.2319385265749268
Energy: 2.233093802645745
Energy: 2.579941934187522
Energy: 2.233093802645745
Energy: 2.231594016569467
Energy: 2.239890175645556
Energy: 2.34335318205317
Energy: 2.239890175645556
Energy: 2.5548138507926694
Energy: 2.3109237584745843
Energy: 2.3478053793180638
Energy: 2.3109237584745843
Energy: 2.231933696689848
Energy: 2.233960926799033
Energy: 2.3122884493558797
Energy: 2.233960926799033
Energy: 2.231518030714479
Energy: 2.2982417185683066
Energy: 2.5924348133059096
Energy: 2.2982417185683066
Energy: 2.672655036470929
Energy: 2.2407970239083674
Energy: 2.205447827878201
Energy: 2.2407970239083674
Energy: 2.2659211450810344
Energy: 2.2946929303780026
Energy: 2.2377119258781764
Energy: 2.2946929303780026
Energy: 2.2406891308880055
Energy: 2.3031142329461187
Energy: 2.6635154655459283
Energy: 2.3031142329472134
Energy: 2.302677946597893
Energy: 2.2014049530796878
Energy: 2.40743982118679
Energy: 2.2014049530796878
Energy: 2.661559526562331
Energy: 2.2932358156002763
Energy: 2.550572675123636
Energy: 2.2932358156002763
Energy: 2.2056387200087793
Energy: 2.28144196750931
Energy: 2.56563539498825
Energy: 2.28144196750931
Energy: 2.2063559606809027
Energy: 2.24081549608013
Energy: 2.2393132932483293
Energy: 2.2408154960812245
Energy: 2.6195635478714587
Energy: 2.236478648174231
Energy: 2.2218278202346324
Energy: 2.236478648174231
Energy: 2.5853645955326807
Energy: 2.2012778330379774
Energy: 2.3543259236346286
Energy: 2.2012778330379774
Energy: 2.579485035353219
Energy: 2.2025939004389152
Energy: 2.356112234442294
Energy: 2.2025939004389152
Energy: 2.5391806287810867
Energy: 2.2378168922285573
Energy: 2.2364389349422376
Energy: 2.2378168922285573
Energy: 2.2042332473371893
Energy: 2.2409185325190784
Energy: 2.2279377442561143
Energy: 2.2409185325190784
Energy: 2.2060552830821716
Energy: 2.206250494565748
Energy: 2.7263697823391038
Energy: 2.206250494565748
Energy: 2.2804072818724235
Energy: 2.2924919373057606
Energy: 2.549997246795567
Energy: 2.2924919373046655
Energy: 2.3093687015974753
Energy: 2.200188876562444
Energy: 2.2597369709554207
Energy: 2.200188876562444

minimum gb energy = 2.200188876562444 eV
minimum distance =  2.52165142267943 Angstroms
sigma value = 53


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

Energy: 2.046107844046103
Energy: 2.0502737298414146
Energy: 3.8989776433983727
Energy: 2.0502737298414146
Energy: 2.0459288408682013
Energy: 2.0512441106593466
Energy: 2.046508214366202
Energy: 2.0512441106593466
Energy: 2.6197525177213437
Energy: 2.1142099854414047
Energy: 2.1873434510452583
Energy: 2.1142099854414047
Energy: 2.187110135747049
Energy: 2.114162412634698
Energy: 2.6198479017231966
Energy: 2.114162412634698
Energy: 2.0465921593914307
Energy: 2.0512647976613625
Energy: 2.0459189829181397
Energy: 2.0512647976613625
Energy: 3.8989776407928582
Energy: 2.0502737298414146
Energy: 2.046107844048624
Energy: 2.0502737298414146
Energy: 2.046508214366202
Energy: 2.0512441106593466
Energy: 2.0459288408682013
Energy: 2.0512441106593466
Energy: 2.187343451047779
Energy: 2.1142099854414047
Energy: 2.6197525177213437
Energy: 2.1142099854414047
Energy: 2.6198479017231966
Energy: 2.114162412634698
Energy: 2.187110135747049
Energy: 2.114162412634698
Energy: 2.0459189829181397
Energy: 2.0512647976613625
Energy: 2.0465921593914307
Energy: 2.0512647976613625
Energy: 2.046107844046103
Energy: 2.0502737298414146
Energy: 3.8989776414129973
Energy: 2.0502737298414146
Energy: 2.0459288408682013
Energy: 2.0512441106593466
Energy: 2.046508214366202
Energy: 2.0512441106593466
Energy: 2.6197525177213437
Energy: 2.1142099854414047
Energy: 2.187343451047779
Energy: 2.1142099854414047

minimum gb energy = 2.0459189829181397 eV
minimum distance =  2.50514744364972 Angstroms
sigma value = 9


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

Energy: 2.497852061004455
Energy: 2.570962844359767
Energy: 3.285554418537004
Energy: 2.570962844359767
Energy: 2.776553445421052
Energy: 2.3126416733022843
Energy: 2.296009857643803
Energy: 2.3126416733022843
Energy: 2.3095450004902367
Energy: 2.281852158636708
Energy: 2.2634724927530234
Energy: 2.281852158636708
Energy: 2.329215828947345
Energy: 2.308000068176214
Energy: 2.2986157329599517
Energy: 2.3080000681752804
Energy: 2.419588058628583
Energy: 2.2886076987713757
Energy: 2.7654922470320376
Energy: 2.2886076987713757
Energy: 2.8906819367413683
Energy: 2.4388477261738397
Energy: 2.467516331670302
Energy: 2.4388477261738397
Energy: 2.268072472958872
Energy: 2.3129181293612993
Energy: 2.7675033231248274
Energy: 2.3129181293612993
Energy: 2.263241839638807
Energy: 2.2682026310878243
Energy: 2.321539951343637
Energy: 2.2682026310878243
Energy: 2.2677115512181856
Energy: 2.281380435350302
Energy: 2.347817933797974
Energy: 2.281380435350302
Energy: 2.460879662501167
Energy: 2.299244074513728
Energy: 2.447774202129765
Energy: 2.299244074513728
Energy: 2.277891857839684
Energy: 2.4271292547666907
Energy: 2.7909274830768647
Energy: 2.4271292547666907
Energy: 2.819137701549692
Energy: 2.2904402971895506
Energy: 2.2602598141838928
Energy: 2.2904402971895506
Energy: 2.3741536912949646
Energy: 2.260487509308331
Energy: 2.2651153303886025
Energy: 2.260487509308331
Energy: 2.3278547668666274
Energy: 2.3247671348556085
Energy: 2.474963868529342
Energy: 2.3247671348556085
Energy: 2.3295151510485415
Energy: 2.26923034555651
Energy: 2.2611857227771845
Energy: 2.26923034555651
Energy: 2.8408505894784883
Energy: 2.2614855590118865
Energy: 2.2595723800424334
Energy: 2.2614855590118865
Energy: 2.460661309639625
Energy: 2.2617247676575825
Energy: 2.834090536628298
Energy: 2.2617247676575825
Energy: 2.2731656788344425
Energy: 2.4269424743224826
Energy: 2.371333771427912
Energy: 2.4269424743224826
Energy: 2.835385086842689
Energy: 2.3386521781051384
Energy: 2.325581318317149
Energy: 2.3386521781051384
Energy: 2.2686196756817774
Energy: 2.2630674759388194
Energy: 2.3566789610683396
Energy: 2.2630674759397524
Energy: 2.277736270694379
Energy: 2.2711552585621413
Energy: 2.3292960902920026
Energy: 2.2711552585621413
Energy: 2.5101664222169697
Energy: 2.262529574961611
Energy: 2.4681680260994443
Energy: 2.262529574961611
Energy: 2.344582488514529
Energy: 2.4404097467314694
Energy: 2.46857531648753
Energy: 2.4404097467314694
Energy: 2.3374778282703415
Energy: 2.325173505199818
Energy: 2.838113632508702
Energy: 2.325173505199818
Energy: 2.3182608419351136
Energy: 2.2699495727542764
Energy: 2.2852030296824224
Energy: 2.2699495727533434
Energy: 2.398531705284515
Energy: 2.3009673079037483
Energy: 2.2849818762438776
Energy: 2.3009673079037483
Energy: 2.7750427095151955
Energy: 2.465314767262421
Energy: 2.564385481726806
Energy: 2.465314767262421
Energy: 2.4959942511949738
Energy: 2.4668613219192097
Energy: 2.746836757915466
Energy: 2.4668613219192097
Energy: 2.7870068359035303
Energy: 2.298821551052861
Energy: 2.285389142194266
Energy: 2.298821551052861
Energy: 2.317751283972793
Energy: 2.2711353090422115
Energy: 2.2860520844186096
Energy: 2.2711353090422115
Energy: 2.302734288324424
Energy: 2.323797658543509
Energy: 2.797670384583297
Energy: 2.3237976585444415
Energy: 2.345276809626005
Energy: 2.26288302041881
Energy: 2.4681052465771325
Energy: 2.26288302041881
Energy: 2.853726110217213
Energy: 2.2625544087046676
Energy: 2.4677928858318205
Energy: 2.26255440870558
Energy: 2.2745264201716022
Energy: 2.271221687136186
Energy: 2.3319209782250607
Energy: 2.271221687136186
Energy: 2.280621785503391
Energy: 2.262044686161942
Energy: 2.3460243719480256
Energy: 2.262044686161942

minimum gb energy = 2.2595723800424334 eV
minimum distance =  2.45405782522309 Angstroms
sigma value = 73


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

Energy: 2.602703003516368
Energy: 2.5415411927638756
Energy: 2.727981437041182
Energy: 2.5415411927653557
Energy: 2.597283192836636
Energy: 2.3968763393148396
Energy: 2.312433974706603
Energy: 2.3968763393148396
Energy: 2.363801703798289
Energy: 2.313149438758693
Energy: 2.30579253813372
Energy: 2.313149438758693
Energy: 2.331494620139702
Energy: 2.265733267269529
Energy: 2.3123462223715463
Energy: 2.265733267269529
Energy: 2.6133069361953742
Energy: 2.265847797436758
Energy: 2.587926332735942
Energy: 2.2658477974382376
Energy: 2.9638066492457313
Energy: 2.5105247676433895
Energy: 2.2973448167523074
Energy: 2.5105247676433895
Energy: 2.2673336688807577
Energy: 2.3415946166666957
Energy: 2.5876894105053516
Energy: 2.3415946166666957
Energy: 2.265511208227397
Energy: 2.2665841740184196
Energy: 2.4284731995469455
Energy: 2.2665841740184196
Energy: 2.657540308643088
Energy: 2.314837995687997
Energy: 2.5137842642609103
Energy: 2.314837995687997
Energy: 2.2654308466699193
Energy: 2.3141104715692493
Energy: 2.5293379548158397
Energy: 2.3141104715692493
Energy: 2.2655407602340976
Energy: 2.2670445341268812
Energy: 2.4302589622181925
Energy: 2.2670445341268812
Energy: 2.6557156944346465
Energy: 2.2663185998853357
Energy: 2.58768228841074
Energy: 2.2663185998853357
Energy: 2.6077824648010286
Energy: 2.266529648767835
Energy: 2.2966957705781663
Energy: 2.266529648767835
Energy: 2.36343138385781
Energy: 2.3856148960541623
Energy: 2.9260184449667204
Energy: 2.3856148960541623
Energy: 2.3301351698434027
Energy: 2.266818105464928
Energy: 2.2934850665644966
Energy: 2.266818105464928
Energy: 2.4343206145097547
Energy: 2.314535162263922
Energy: 2.3333883071994697
Energy: 2.314535162263922
Energy: 2.5970456050053476
Energy: 2.2973821386328983
Energy: 2.798383420006484
Energy: 2.2973821386328983
Energy: 2.596968937854883
Energy: 2.47730558679685
Energy: 2.429875231954115
Energy: 2.47730558679685
Energy: 2.4920601963130236
Energy: 2.313095996736358
Energy: 2.2938607040438512
Energy: 2.313095996736358
Energy: 2.330332373355821
Energy: 2.2671513096936495
Energy: 2.3245718220605225
Energy: 2.2671513096936495
Energy: 2.3634544369995436
Energy: 2.38678772787401
Energy: 2.948500869487956
Energy: 2.38678772787401
Energy: 2.6047154509947292
Energy: 2.266227584895982
Energy: 2.296786503744864
Energy: 2.266227584895982

minimum gb energy = 2.2654308466699193 eV
minimum distance =  2.46585818629263 Angstroms
sigma value = 7


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

Energy: 2.696319154823664
Energy: 2.548334052501752
Energy: 2.825190139583002
Energy: 2.548334052501752
Energy: 2.678156596665426
Energy: 2.4179222121596142
Energy: 2.4317241515663732
Energy: 2.4179222121596142
Energy: 2.376929044127333
Energy: 2.2650569966578
Energy: 2.2653026998091335
Energy: 2.2650569966578
Energy: 2.402111567809456
Energy: 2.2422973220403373
Energy: 2.2684023165657887
Energy: 2.2422973220403373
Energy: 2.503997885132651
Energy: 2.2654025009173115
Energy: 2.3562255416054363
Energy: 2.2654025009173115
Energy: 2.964444447210077
Energy: 2.2418667369145346
Energy: 2.2474434567107093
Energy: 2.2418667369145346
Energy: 2.3557164668837793
Energy: 2.4742079230152627
Energy: 2.7328938180407434
Energy: 2.4742079230152627
Energy: 2.2475208568643428
Energy: 2.2413772661410882
Energy: 2.5003644092402264
Energy: 2.2413772661410882
Energy: 2.732831423304912
Energy: 2.2670841519183482
Energy: 2.3780565737623585
Energy: 2.2670841519183482
Energy: 2.264855435108839
Energy: 2.2423146817258996
Energy: 2.4029024415854345
Energy: 2.2423146817258996
Energy: 2.2650317993770575
Energy: 2.2673394503938984
Energy: 2.4043813078498837
Energy: 2.2673394503938984
Energy: 2.89889530282706
Energy: 2.241314027055105
Energy: 2.6781438945876306
Energy: 2.241314027055105
Energy: 2.901015596054906
Energy: 2.241743407900745
Energy: 2.6825844503526444
Energy: 2.241743407900745
Energy: 2.2656069490129993
Energy: 2.266997387013055
Energy: 2.566303026112649
Energy: 2.266997387013055
Energy: 2.264773114774766
Energy: 2.242678842933917
Energy: 2.397230604604403
Energy: 2.242678842933917
Energy: 2.7334106087249563
Energy: 2.4056120960545884
Energy: 2.3770812901338014
Energy: 2.405612096055635
Energy: 2.2410547781716144
Energy: 2.2425023008288534
Energy: 2.5008053011443
Energy: 2.2425023008288534
Energy: 2.35726722090161
Energy: 2.266619534265462
Energy: 2.9212640380188746
Energy: 2.266619534265462
Energy: 2.970075083359011
Energy: 2.243009984778501
Energy: 2.241108518323983
Energy: 2.243009984778501
Energy: 2.509649348126825
Energy: 2.266001474818746
Energy: 2.241282939070249
Energy: 2.266001474818746
Energy: 2.4357343846746744
Energy: 2.4369907362643675
Energy: 2.2682378662461833
Energy: 2.4369907362643675
Energy: 2.398417963502009
Energy: 2.2655816687678443
Energy: 2.2653438907494987
Energy: 2.2655816687678443
Energy: 2.8688753260419704
Energy: 2.3797418280945033
Energy: 2.26748055909255
Energy: 2.3797418280945033
Energy: 2.679086464911812
Energy: 2.24262425731502
Energy: 2.898610326954602
Energy: 2.24262425731502
Energy: 2.6778671381760772
Energy: 2.2425870604730505
Energy: 2.3972195502181286
Energy: 2.2425870604730505
Energy: 2.400409737318915
Energy: 2.2661365808683454
Energy: 2.2649732851603703
Energy: 2.2661365808683454
Energy: 2.3973573945660225
Energy: 2.2415700570297963
Energy: 2.2667074330923382
Energy: 2.2415700570297963
Energy: 2.5094069723115457
Energy: 2.2663199113503834
Energy: 2.732479525276038
Energy: 2.2663199113503834
Energy: 2.50025357405555
Energy: 2.2411239091754376
Energy: 2.2405883719143747
Energy: 2.2411239091754376
Energy: 2.7328693282370784
Energy: 2.469535427972486
Energy: 2.7328587846293684
Energy: 2.4695354279735326
Energy: 2.2405891134213682
Energy: 2.2411333706001595
Energy: 2.5002535740565968
Energy: 2.2411333706001595

minimum gb energy = 2.2405883719143747 eV
minimum distance =  2.50457249876218 Angstroms
sigma value = 29


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

Energy: 2.1383978388625455
Energy: 2.1552073368029223
Energy: 3.9241749548306695
Energy: 2.1552073368029223
Energy: 2.786275328955668
Energy: 2.158064129627346
Energy: 2.1557973400162087
Energy: 2.158064129627346
Energy: 2.8229548137489475
Energy: 2.0738882379186534
Energy: 2.0743219684072
Energy: 2.0738882379186534
Energy: 2.9569036146159906
Energy: 2.1552477996023294
Energy: 2.075071414371208
Energy: 2.1552477996023294
Energy: 2.847565428410268
Energy: 2.074846316461095
Energy: 2.07361019625206
Energy: 2.074846316461095
Energy: 2.408009658262264
Energy: 2.0743782095483647
Energy: 2.0735127480656312
Energy: 2.0743782095483647
Energy: 2.3995735315843216
Energy: 2.0740672136490024
Energy: 2.5896681163419353
Energy: 2.0740672136490024
Energy: 2.1383829098601153
Energy: 2.074423764004017
Energy: 3.2188518513010336
Energy: 2.074423764004017
Energy: 2.787685964633346
Energy: 2.073703072234135
Energy: 2.074553191931088
Energy: 2.073703072234135

minimum gb energy = 2.0735127480656312 eV
minimum distance =  2.56643718487944 Angstroms
sigma value = 5


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

Energy: 2.581258171240481
Energy: 2.3500570002227303
Energy: 3.334051964974816
Energy: 2.3500570002227303
Energy: 2.477297347313998
Energy: 2.289610741817582
Energy: 2.468534138439305
Energy: 2.2896107418185707
Energy: 2.316446120562406
Energy: 2.221995842928075
Energy: 2.2984215453215326
Energy: 2.221995842928075
Energy: 2.3164545782077504
Energy: 2.2472506421548037
Energy: 2.4794276066583207
Energy: 2.2472506421548037
Energy: 2.27929940978563
Energy: 2.1969650076105496
Energy: 2.2641255451099083
Energy: 2.1969650076105496
Energy: 2.3516872151333703
Energy: 2.20262510840849
Energy: 2.2638474725160735
Energy: 2.20262510840849
Energy: 2.4824561330235415
Energy: 2.204232364128455
Energy: 2.3911286474403273
Energy: 2.204232364128455
Energy: 2.4777733898533176
Energy: 2.203863909534433
Energy: 2.5519340130249244
Energy: 2.203863909534433
Energy: 2.3518210245420943
Energy: 2.249023582740805
Energy: 2.5022001228417494
Energy: 2.249023582740805
Energy: 2.662746583627958
Energy: 2.2488693398958404
Energy: 2.497590876826432
Energy: 2.2488693398958404
Energy: 2.2877904605932846
Energy: 2.220105040788999
Energy: 2.3149924236473276
Energy: 2.220105040788999
Energy: 2.2878409872998104
Energy: 2.2193716332993003
Energy: 2.2891998943228615
Energy: 2.2193716332993003
Energy: 2.505803668292792
Energy: 2.282274185110873
Energy: 2.28759358917411
Energy: 2.282274185110873
Energy: 2.271962245762057
Energy: 2.1976453107590905
Energy: 2.2870094557425737
Energy: 2.1976453107590905
Energy: 2.3384744783496036
Energy: 2.308272759325253
Energy: 2.761150667370579
Energy: 2.308272759325253
Energy: 2.837876342807936
Energy: 2.3110951410150626
Energy: 2.4959728690709757
Energy: 2.3110951410150626
Energy: 2.5954673829902055
Energy: 2.2487194197161817
Energy: 2.6119414235384917
Energy: 2.2487194197151927
Energy: 2.3173449108812916
Energy: 2.233318088479802
Energy: 2.547569748737118
Energy: 2.233318088479802
Energy: 2.476094198929357
Energy: 2.2367308451053423
Energy: 2.412288825879174
Energy: 2.2367308451053423
Energy: 2.278301059996985
Energy: 2.2208633873273738
Energy: 2.2639943389253974
Energy: 2.2208633873273738
Energy: 2.278394754550382
Energy: 2.246871479236696
Energy: 2.3083702406376996
Energy: 2.246871479236696
Energy: 2.4429430578813367
Energy: 2.1973818447081688
Energy: 2.2898797753621043
Energy: 2.1973818447081688
Energy: 2.3166526878507945
Energy: 2.2010325178333
Energy: 2.2949818028071953
Energy: 2.2010325178333
Energy: 2.7729023921521434
Energy: 2.284491357840286
Energy: 2.5548122794876256
Energy: 2.284491357840286
Energy: 2.7730332513853035
Energy: 2.2842228089766534
Energy: 2.977119353739282
Energy: 2.2842228089766534
Energy: 2.41275612385409
Energy: 2.19700902888507
Energy: 2.289843734201651
Energy: 2.19700902888507
Energy: 2.418434869509344
Energy: 2.191506578711275
Energy: 2.2951982211463187
Energy: 2.191506578711275
Energy: 2.2792939618956765
Energy: 2.314093677452625
Energy: 2.554900856810703
Energy: 2.314093677452625
Energy: 2.2787273881605143
Energy: 2.1918000464294645
Energy: 2.2662534305453157
Energy: 2.1918000464294645
Energy: 2.602460396355687
Energy: 2.3844426534853334
Energy: 2.3527572044079585
Energy: 2.3844426534853334
Energy: 2.3929957788844223
Energy: 2.2309665745391647
Energy: 2.546710874762309
Energy: 2.2309665745391647
Energy: 2.476571478271667
Energy: 2.2643894112939282
Energy: 2.4798179420395434
Energy: 2.2643894112939282
Energy: 2.9041334177570572
Energy: 2.2492652721596764
Energy: 2.502465417233073
Energy: 2.2492652721596764

minimum gb energy = 2.191506578711275 eV
minimum distance =  2.37858066960666 Angstroms
sigma value = 1


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

Energy: 2.6295434372805784
Energy: 2.289220819797242
Energy: 3.7931110246331707
Energy: 2.289220819797242
Energy: 2.5933510977913423
Energy: 2.3674945614184244
Energy: 2.524355190283247
Energy: 2.3674945614184244
Energy: 2.396975092178083
Energy: 2.181536371888409
Energy: 2.5883163973674197
Energy: 2.181536371888409
Energy: 2.299848658997652
Energy: 2.1684635489759074
Energy: 2.515073600636528
Energy: 2.1684635489759074
Energy: 2.261004429552795
Energy: 2.1248547429969387
Energy: 2.258902809619997
Energy: 2.1248547429969387
Energy: 2.26046847920159
Energy: 2.2890888480386544
Energy: 2.2589783019250413
Energy: 2.2890888480386544
Energy: 2.5153743650633533
Energy: 2.1670679060746996
Energy: 2.370171186495146
Energy: 2.1670679060746996
Energy: 2.515447116954052
Energy: 2.1672038110504315
Energy: 2.3387832817778387
Energy: 2.1672038110504315
Energy: 2.3913432270509967
Energy: 2.1247167412801353
Energy: 2.277610297817576
Energy: 2.1247167412801353
Energy: 2.3913432270509967
Energy: 2.124790465534354
Energy: 2.2775408352262243
Energy: 2.124790465534354
Energy: 2.5154957571429066
Energy: 2.167086130907884
Energy: 2.3387832817778387
Energy: 2.167086130907884
Energy: 2.515284912057127
Energy: 2.1672312103875515
Energy: 2.370171186495146
Energy: 2.1672312103875515
Energy: 2.2598362135004404
Energy: 2.245011942011571
Energy: 2.2593610444507624
Energy: 2.245011942011571
Energy: 2.260974121456548
Energy: 2.1249720801825385
Energy: 2.25888247348783
Energy: 2.1249720801825385
Energy: 2.371159068314872
Energy: 2.1793810982643347
Energy: 2.5150311432076937
Energy: 2.1793810982643347
Energy: 2.396975092178083
Energy: 2.181531362645301
Energy: 2.5877859481531913
Energy: 2.181531362645301
Energy: 2.6020819963138817
Energy: 2.3161293727607473
Energy: 2.4195293684849317
Energy: 2.3161293727607473
Energy: 2.6295434372805784
Energy: 2.289220819797242
Energy: 3.793111024634538
Energy: 2.289220819797242
Energy: 2.5933510977913423
Energy: 2.3674945614184244
Energy: 2.524355190283247
Energy: 2.3674945614184244
Energy: 2.396975092178083
Energy: 2.181536371888409
Energy: 2.5883163973674197
Energy: 2.181536371888409
Energy: 2.299848658997652
Energy: 2.1684635489759074
Energy: 2.515073600636528
Energy: 2.1684635489759074
Energy: 2.261004429552795
Energy: 2.1248547429969387
Energy: 2.258902809619997
Energy: 2.1248547429969387
Energy: 2.26046847920159
Energy: 2.2890888480386544
Energy: 2.2589783019250413
Energy: 2.2890888480386544
Energy: 2.5153743650633533
Energy: 2.1670679060746996
Energy: 2.370171186495146
Energy: 2.1670679060746996

minimum gb energy = 2.1247167412801353 eV
minimum distance =  2.38726798743308 Angstroms
sigma value = 17


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

Energy: 2.7260482761836538
Energy: 2.2543110181316153
Energy: 3.1612249958816854
Energy: 2.2543110181316153
Energy: 2.3716277631971887
Energy: 2.4806996224501745
Energy: 2.5133249715479615
Energy: 2.4806996224501745
Energy: 2.3123701877436598
Energy: 2.1171551259581998
Energy: 2.3152592322102
Energy: 2.1171551259581998
Energy: 2.2630843015152147
Energy: 2.2556393130595023
Energy: 2.6588790416634094
Energy: 2.2556393130595023
Energy: 2.2635092515410165
Energy: 2.1185126899299624
Energy: 2.2695781050110257
Energy: 2.1185126899299624
Energy: 2.29954246072236
Energy: 2.1843484548704204
Energy: 2.269621545457807
Energy: 2.1843484548704204
Energy: 2.290433372607966
Energy: 2.1097462508969214
Energy: 2.2966180663503897
Energy: 2.1097462508969214
Energy: 2.2831558093807485
Energy: 2.1100353354761014
Energy: 2.2830453691564045
Energy: 2.1100353354761014
Energy: 2.554067510211765
Energy: 2.1988388377022288
Energy: 2.655991518444886
Energy: 2.1988388377022288
Energy: 2.294068131978664
Energy: 2.1986567784959727
Energy: 2.652280950373567
Energy: 2.1986567784959727
Energy: 2.4217809020527357
Energy: 2.1740569293084264
Energy: 2.283253354040794
Energy: 2.1740569293084264
Energy: 2.4243450842310823
Energy: 2.1744417974527104
Energy: 2.3272467390714655
Energy: 2.1744417974527104
Energy: 2.293796543203261
Energy: 2.1086044460836275
Energy: 2.291675387893744
Energy: 2.1086044460836275
Energy: 2.2628784338559638
Energy: 2.1188432876982173
Energy: 2.2843624289883047
Energy: 2.1188432876982173
Energy: 2.2629370328892944
Energy: 2.113593541653272
Energy: 2.284144684313304
Energy: 2.113593541653272
Energy: 2.263022120771094
Energy: 2.1088332643994017
Energy: 2.262952704874198
Energy: 2.1088332643994017
Energy: 2.647970590262099
Energy: 2.2528344558578595
Energy: 2.3725111069050766
Energy: 2.2528344558578595
Energy: 2.4216022048912054
Energy: 2.1415663020640805
Energy: 2.532275311512645
Energy: 2.1415663020640805
Energy: 2.50827604440494
Energy: 2.2821636425405614
Energy: 2.5306727132731877
Energy: 2.2821636425405614
Energy: 2.7525210128241375
Energy: 2.215792993700584
Energy: 2.4483187082712785
Energy: 2.215792993700584
Energy: 2.429584791462917
Energy: 2.1883465181806487
Energy: 2.413690867846182
Energy: 2.1883465181814934
Energy: 2.2888414185996155
Energy: 2.1179928977974605
Energy: 2.2964924821453123
Energy: 2.1179928977974605
Energy: 2.413253480734148
Energy: 2.1843142481003217
Energy: 2.40685325352073
Energy: 2.1843142481003217
Energy: 2.2654777146937897
Energy: 2.108554715011832
Energy: 2.256022380630175
Energy: 2.108554715011832
Energy: 2.2580242480447583
Energy: 2.112378248921524
Energy: 2.327772039504396
Energy: 2.112378248921524
Energy: 2.3140320304213953
Energy: 2.118392907055044
Energy: 2.299961401197518
Energy: 2.118392907055044
Energy: 2.3721549826019825
Energy: 2.1197245412850303
Energy: 2.417624617477006
Energy: 2.1197245412850303
Energy: 2.68620295388932
Energy: 2.2542288109035766
Energy: 2.5527397485279257
Energy: 2.2542288109035766
Energy: 2.676568228205784
Energy: 2.2539521101293394
Energy: 2.3283091047836497
Energy: 2.2539521101293394
Energy: 2.3121216007682364
Energy: 2.1182220427346605
Energy: 2.2997260713160994
Energy: 2.1182220427346605
Energy: 2.317157656425108
Energy: 2.11893310313448
Energy: 2.417670521024104
Energy: 2.11893310313448
Energy: 2.265774921756876
Energy: 2.112201392597456
Energy: 2.2692525587098578
Energy: 2.112201392597456
Energy: 2.258249964034312
Energy: 2.1078518220438895
Energy: 2.257074125676509
Energy: 2.1078518220438895
Energy: 2.412799315876477
Energy: 2.1076983107994125
Energy: 2.296414146209444
Energy: 2.1076983107994125
Energy: 2.284800385534569
Energy: 2.117695948989145
Energy: 2.282820770050057
Energy: 2.117695948989145
Energy: 2.3795756496154903
Energy: 2.2310754618819155
Energy: 2.657292370093669
Energy: 2.2310754618819155
Energy: 2.7822467316930903
Energy: 2.216305071512144
Energy: 2.4588662396062806
Energy: 2.216305071512144
Energy: 2.6477239841593407
Energy: 2.271633976477274
Energy: 2.357366464077183
Energy: 2.271633976477274

minimum gb energy = 2.1076983107994125 eV
minimum distance =  2.41784818338196 Angstroms
sigma value = 89


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

Energy: 2.6292606403226277
Energy: 2.0465747036481976
Energy: 2.2694632551220795
Energy: 2.0465747036481976
Energy: 2.4348074929992536
Energy: 2.1448781871584255
Energy: 2.420539301236199
Energy: 2.1448781871584255
Energy: 2.325373349866112
Energy: 2.0526263946462056
Energy: 2.2013560602585023
Energy: 2.0526263946462056
Energy: 2.262429217171935
Energy: 2.0062113771495698
Energy: 2.5201353137268034
Energy: 2.0062113771495698
Energy: 2.194265751891255
Energy: 2.007524169034714
Energy: 2.2318557932722665
Energy: 2.007524169034714
Energy: 2.187391778557156
Energy: 2.1205128316986213
Energy: 2.2320487446121624
Energy: 2.1205128316986213
Energy: 2.1865341123305546
Energy: 2.052539597406641
Energy: 2.2326716174596917
Energy: 2.052539597406641
Energy: 2.1867325597438354
Energy: 2.0059944921822006
Energy: 2.337577539519599
Energy: 2.0059944921822006
Energy: 2.3289258792153644
Energy: 2.007669756168154
Energy: 2.1901883313077515
Energy: 2.007669756168154
Energy: 2.1875283693503964
Energy: 2.0068314471957054
Energy: 2.1898712620016147
Energy: 2.0068314471957054
Energy: 2.4980770516493034
Energy: 2.0519836142454593
Energy: 2.338255165547618
Energy: 2.0519836142454593
Energy: 2.4982755125769547
Energy: 2.0518346106763197
Energy: 2.3383003508260853
Energy: 2.0518346106763197
Energy: 2.3255234269759333
Energy: 2.007169067403313
Energy: 2.1904597111421387
Energy: 2.007169067403313
Energy: 2.326037847331623
Energy: 2.006423715736003
Energy: 2.1900650008548532
Energy: 2.006423715736003
Energy: 2.186666512395197
Energy: 2.0059188639343093
Energy: 2.252180681911626
Energy: 2.0059188639343093

minimum gb energy = 2.0059188639343093 eV
minimum distance =  2.40590301896368 Angstroms
sigma value = 13


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

Energy: 2.4380701881447995
Energy: 1.966766679787883
Energy: 3.0327727584297923
Energy: 1.966766679787883
Energy: 2.2552114378173824
Energy: 2.133007248063343
Energy: 2.243451945855864
Energy: 2.133007248063343
Energy: 2.2222559422392236
Energy: 1.8888109424629118
Energy: 2.3639921018881385
Energy: 1.8888109424629118
Energy: 2.2446423109872624
Energy: 1.9671983186936006
Energy: 2.2435886320385006
Energy: 1.9671983186936006
Energy: 2.111881222419664
Energy: 1.8668233558453717
Energy: 2.182444095963634
Energy: 1.8668233558453717
Energy: 2.305922736674116
Energy: 1.867003071185506
Energy: 2.247530734564718
Energy: 1.867003071185506
Energy: 2.106605882118579
Energy: 1.8897231679836826
Energy: 2.1031319616693565
Energy: 1.8897231679836826
Energy: 2.1002656449902286
Energy: 1.9488597161617365
Energy: 2.100613112806278
Energy: 1.9488597161617365
Energy: 2.1822449869868774
Energy: 1.8670801160174848
Energy: 2.1129716279061577
Energy: 1.8670801160174848
Energy: 2.307197954226099
Energy: 1.8674280034749848
Energy: 2.314443482686131
Energy: 1.8674280034749848
Energy: 2.3010901216381403
Energy: 1.8897335085348752
Energy: 2.2230122173977698
Energy: 1.8897335085348752
Energy: 2.3050544917647717
Energy: 1.8898091599611337
Energy: 2.1004270487942738
Energy: 1.8898091599611337
Energy: 2.164779904474694
Energy: 1.9741161631770334
Energy: 2.3706369143181716
Energy: 1.9741161631770334
Energy: 2.244663331747236
Energy: 1.9682335031977232
Energy: 2.634199051444112
Energy: 1.9682335031977232
Energy: 2.3008134147987023
Energy: 1.8897769997864886
Energy: 2.2220398237713064
Energy: 1.8897769997864886
Energy: 2.3053122406239437
Energy: 1.8901166396340303
Energy: 2.2232840284807462
Energy: 1.8901166396340303
Energy: 2.164542633992712
Energy: 1.8677491366921433
Energy: 2.1128299951850225
Energy: 1.8677491366912164
Energy: 2.1823524988373917
Energy: 1.8674925363905537
Energy: 2.3151084991486046
Energy: 1.8674925363905537
Energy: 2.106941852299174
Energy: 1.8909420609527723
Energy: 2.1000695393483655
Energy: 1.8909420609527723
Energy: 2.100067589644879
Energy: 1.8908976493227756
Energy: 2.1069213490960212
Energy: 1.8908976493227756
Energy: 2.315109620808987
Energy: 1.8676084265039712
Energy: 2.1824623836963952
Energy: 1.8676084265039712
Energy: 2.1127604379165
Energy: 1.867726187118806
Energy: 2.1645426339936384
Energy: 1.867726187118806
Energy: 2.2232840284807462
Energy: 1.8901033586330802
Energy: 2.305239264021273
Energy: 1.8901033586330802
Energy: 2.2220398237731596
Energy: 1.8899092944371354
Energy: 2.300814562084468
Energy: 1.8899092944371354
Energy: 2.634222283202278
Energy: 1.9681954768843235
Energy: 2.244957783579991
Energy: 1.9681954768843235
Energy: 2.370756709238933
Energy: 1.9740435409083597
Energy: 2.164779904475621
Energy: 1.9740435409083597
Energy: 2.1003640284390612
Energy: 1.8898771791930546
Energy: 2.305405114513396
Energy: 1.8898771791930546
Energy: 2.2230122173959166
Energy: 1.8896980073991578
Energy: 2.3010958242252317
Energy: 1.8896980074000849
Energy: 2.3144263240223655
Energy: 1.8674397217782226
Energy: 2.3073992746179037
Energy: 1.8674397217782226
Energy: 2.112885742620803
Energy: 1.8670679368780267
Energy: 2.1822339190664786
Energy: 1.8670679368771002
Energy: 2.100865789419591
Energy: 1.9488683545373782
Energy: 2.1006686363340443
Energy: 1.9488683545373782
Energy: 2.103129649684183
Energy: 1.8895542190702521
Energy: 2.1069105266564354
Energy: 1.8895542190702521
Energy: 2.248043568105519
Energy: 1.8672854491722266
Energy: 2.3059441214757643
Energy: 1.8672854491722266
Energy: 2.182350705276954
Energy: 1.8668173719136274
Energy: 2.111867060967012
Energy: 1.8668173719127006
Energy: 2.2435999854348663
Energy: 1.9668103296063575
Energy: 2.2444780727623614
Energy: 1.9668103296063575

minimum gb energy = 1.8668173719127006 eV
minimum distance =  2.4081955708312 Angstroms
sigma value = 37


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

Energy: 2.6282060725058227
Energy: 1.9173491714903246
Energy: 2.8109296014204026
Energy: 1.9173491714903246
Energy: 2.150194576514938
Energy: 1.9092366606143236
Energy: 2.210479521980093
Energy: 1.9092366606143236
Energy: 2.139662827427135
Energy: 1.7926478103834638
Energy: 2.304683343370132
Energy: 1.7926478103834638
Energy: 2.202170821908785
Energy: 1.9115271160806617
Energy: 2.2106104736599512
Energy: 1.9115271160806617
Energy: 2.1915851145535146
Energy: 1.795605656502449
Energy: 2.0844077011520623
Energy: 1.795605656502449
Energy: 2.36165624071387
Energy: 1.7630526775481
Energy: 2.220169221647908
Energy: 1.7630526775481
Energy: 2.017223513469593
Energy: 1.792938257676402
Energy: 2.0967102298705727
Energy: 1.792938257676402
Energy: 2.0168992343671364
Energy: 1.8192262896698783
Energy: 2.1589606862140696
Energy: 1.8192262896698783
Energy: 2.0186769153414117
Energy: 1.795684150408769
Energy: 2.1597476347897344
Energy: 1.795684150408769
Energy: 2.2026653830343585
Energy: 1.7636443598683516
Energy: 2.1588191542762365
Energy: 1.7636443598683516
Energy: 2.1555965649412623
Energy: 1.793070833652394
Energy: 2.0760604658691606
Energy: 1.793070833652394
Energy: 2.1549136409579397
Energy: 1.7617410143160241
Energy: 2.1584913493337576
Energy: 1.7617410143160241
Energy: 2.141630580590862
Energy: 1.7952656384350314
Energy: 2.385106828931224
Energy: 1.7952656384350314
Energy: 2.1507897027823617
Energy: 1.7928311522823588
Energy: 2.2104200691929923
Energy: 1.7928311522823588
Energy: 2.4615429554415917
Energy: 1.9194136852515247
Energy: 2.0850384212079556
Energy: 1.9194136852515247
Energy: 2.3426207843765887
Energy: 1.9078616485225632
Energy: 2.130901736834958
Energy: 1.9078616485225632
Energy: 2.1398681714085943
Energy: 1.7951420879515354
Energy: 2.3851596318846906
Energy: 1.7951420879515354
Energy: 2.202823314342176
Energy: 1.7926230737038662
Energy: 2.3854975211399205
Energy: 1.7926230737038662
Energy: 2.155727635935159
Energy: 1.7930976588607386
Energy: 2.084699196667269
Energy: 1.7930976588607386
Energy: 2.2290107730664457
Energy: 1.7619177246815234
Energy: 2.085188687554233
Energy: 1.7619177246815234

minimum gb energy = 1.7617410143160241 eV
minimum distance =  2.41269710650069 Angstroms
sigma value = 25


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

Energy: 2.5689987100160883
Energy: 1.7142538565936443
Energy: 2.552302741728271
Energy: 1.7142538565936443
Energy: 2.0353206948307876
Energy: 1.8436764353870618
Energy: 1.987622884171245
Energy: 1.8436764353870618
Energy: 1.9692776517906134
Energy: 1.65430877633915
Energy: 2.488129447659548
Energy: 1.65430877633915
Energy: 2.114421682014709
Energy: 1.6525129925439639
Energy: 1.9877397400151493
Energy: 1.652512992545209
Energy: 2.2051757939207466
Energy: 1.5911652729252317
Energy: 1.9069765478401723
Energy: 1.5911652729252317
Energy: 2.1148088263604055
Energy: 1.6493373112407688
Energy: 2.0615666011990457
Energy: 1.6493373112407688
Energy: 1.8792789593590222
Energy: 1.5925614064044509
Energy: 2.1622422916427477
Energy: 1.5925614064044509
Energy: 2.1554200611636842
Energy: 1.5739877405230007
Energy: 2.158225492256771
Energy: 1.5739877405230007
Energy: 1.9653435585910943
Energy: 1.5914639855800283
Energy: 1.9476627633512673
Energy: 1.5914639855800283
Energy: 2.1539354582032084
Energy: 1.59952735892716
Energy: 1.9474699039829464
Energy: 1.59952735892716
Energy: 1.949861437964211
Energy: 1.5926522691617788
Energy: 1.9601062576560289
Energy: 1.5926522691617788
Energy: 2.1357105342521967
Energy: 1.573873332935176
Energy: 2.062149290769204
Energy: 1.573873332935176
Energy: 1.8746096515040442
Energy: 1.590812201784071
Energy: 2.088075278517017
Energy: 1.590812201784071
Energy: 2.148592752064348
Energy: 1.5746790896156284
Energy: 2.1176497000848924
Energy: 1.5746790896156284
Energy: 2.1267883904413956
Energy: 1.591655686247531
Energy: 1.901938922483568
Energy: 1.591655686247531
Energy: 2.1139328398628576
Energy: 1.5924543150856332
Energy: 2.022734032319073
Energy: 1.5924543150856332
Energy: 1.9698616534170432
Energy: 1.654383098570063
Energy: 2.294003473113088
Energy: 1.654383098570063
Energy: 1.9678215713694667
Energy: 1.7441816282235156
Energy: 2.149981495384611
Energy: 1.7441816282222704
Energy: 2.3758416260450685
Energy: 1.7165291743069646
Energy: 1.9016491624615006
Energy: 1.7165291743069646
Energy: 2.0357379090079477
Energy: 1.7151041783864098
Energy: 1.9881097893339095
Energy: 1.7151041783864098
Energy: 1.96921358826907
Energy: 1.654343869729203
Energy: 2.293738650129363
Energy: 1.654343869727958
Energy: 2.015449579487233
Energy: 1.651368576345967
Energy: 2.1496980416654945
Energy: 1.651368576345967
Energy: 2.126833689092721
Energy: 1.5916230701404877
Energy: 1.9015083115233917
Energy: 1.5916230701404877
Energy: 2.11385765560048
Energy: 1.5921886905708584
Energy: 2.062508383893944
Energy: 1.5921886905708584
Energy: 1.8739521828598102
Energy: 1.5907214993361873
Energy: 2.088192974365539
Energy: 1.5907214993361873
Energy: 1.9874740979140322
Energy: 1.574219423146878
Energy: 2.1174801987419074
Energy: 1.574219423146878

minimum gb energy = 1.573873332935176 eV
minimum distance =  2.43273451850132 Angstroms
sigma value = 41


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

Energy: 2.712951158526694
Energy: 1.5701054723032082
Energy: 2.295506388951133
Energy: 1.5701054723032082
Energy: 1.8559175633889293
Energy: 1.7248467479435168
Energy: 1.9593769686728129
Energy: 1.7248467479435168
Energy: 1.8324558865318792
Energy: 1.5073501322860228
Energy: 2.434780318348748
Energy: 1.5073501322860228
Energy: 1.8965355681865494
Energy: 1.5449276959242102
Energy: 1.9596437540473726
Energy: 1.544927695925231
Energy: 2.2476910209185172
Energy: 1.4723103338558454
Energy: 1.7647129013960585
Energy: 1.4723103338558454
Energy: 1.8954375666072472
Energy: 1.499335443458401
Energy: 1.9748794117159063
Energy: 1.499335443458401
Energy: 1.8129701453649651
Energy: 1.4358911658507758
Energy: 2.151070700427908
Energy: 1.4358911658507758
Energy: 1.982545241277198
Energy: 1.4633106441550332
Energy: 1.9707181239114604
Energy: 1.4633106441550332
Energy: 2.1292989907358204
Energy: 1.4366297676177389
Energy: 1.7930069190646036
Energy: 1.4366297676177389
Energy: 1.977832387986152
Energy: 1.4767500416395969
Energy: 1.9879743172009194
Energy: 1.4767500416395969
Energy: 1.8985300065434614
Energy: 1.4363716752813191
Energy: 1.936235072114934
Energy: 1.4363716752813191
Energy: 1.93165454744406
Energy: 1.4389800840664453
Energy: 1.9871966818694862
Energy: 1.438980084067466
Energy: 1.9354307303603928
Energy: 1.4367333774682365
Energy: 1.8976019344251067
Energy: 1.4367333774682365
Energy: 1.9769084616994017
Energy: 1.4262644246526615
Energy: 1.9868503175517187
Energy: 1.4262644246526615
Energy: 2.013733192473477
Energy: 1.4360328497684527
Energy: 1.7995342819537163
Energy: 1.4360328497684527
Energy: 1.9814627513067078
Energy: 1.4259273455051915
Energy: 1.8927792478966006
Energy: 1.4259273455051915
Energy: 1.8179263222998006
Energy: 1.436832047160613
Energy: 2.0333921734421794
Energy: 1.436832047160613
Energy: 1.8964433889176666
Energy: 1.4372786187176703
Energy: 1.9693698570250464
Energy: 1.4372786187176703
Energy: 2.0137755090855127
Energy: 1.4731888021627018
Energy: 1.7613757928774594
Energy: 1.4731888021627018
Energy: 1.9869938705103232
Energy: 1.7293212856260787
Energy: 1.826648629217559
Energy: 1.7293212856270994
Energy: 1.8254256486727147
Energy: 1.509486259387814
Energy: 2.066738113431777
Energy: 1.509486259387814
Energy: 1.856630799278208
Energy: 1.5773085967186808
Energy: 1.9595594655519497
Energy: 1.5773085967186808
Energy: 2.065768431039172
Energy: 1.5712486874260299
Energy: 1.761367453020983
Energy: 1.5712486874260299
Energy: 2.0048282600920655
Energy: 1.5839263182063628
Energy: 1.8264957233347217
Energy: 1.5839263182063628
Energy: 1.8249347029402012
Energy: 1.5093758989737827
Energy: 2.066762754590846
Energy: 1.5093758989737827
Energy: 1.8964034873099889
Energy: 1.5124525216904614
Energy: 1.9596081358828827
Energy: 1.5124525216904614
Energy: 2.0140178986464057
Energy: 1.4732781095988443
Energy: 1.7610381156181867
Energy: 1.4732781095988443
Energy: 1.987168658033616
Energy: 1.4757638994647924
Energy: 1.8937483245744697
Energy: 1.4757638994647924
Energy: 1.820180701182854
Energy: 1.4369124966772098
Energy: 2.0335612629949495
Energy: 1.4369124966772098
Energy: 1.9764925828770057
Energy: 1.436673965470692
Energy: 1.9693868971287665
Energy: 1.436673965470692
Energy: 2.0136494569101666
Energy: 1.4361033243529377
Energy: 1.801248855506901
Energy: 1.4361033243529377
Energy: 1.981258362992711
Energy: 1.4247985701630381
Energy: 2.0031978745372165
Energy: 1.4247985701630381

minimum gb energy = 1.4247985701630381 eV
minimum distance =  2.43304393895773 Angstroms
sigma value = 15


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

Energy: 2.6113244956108774
Energy: 1.4448109364396897
Energy: 2.1011234336271394
Energy: 1.4448109364396897
Energy: 1.837540337314403
Energy: 1.5629776365709065
Energy: 1.8085088727313716
Energy: 1.5629776365709065
Energy: 1.706606490923732
Energy: 1.4027366760288182
Energy: 2.192681370165445
Energy: 1.4027366760288182
Energy: 1.8315231569427686
Energy: 1.4932301907647691
Energy: 1.808919016335257
Energy: 1.4932301907681886
Energy: 2.064351823036695
Energy: 1.3636406107915529
Energy: 1.6464824279555235
Energy: 1.3636406107915529
Energy: 1.8319081755309803
Energy: 1.387162651085161
Energy: 1.8192500972690417
Energy: 1.387162651085161
Energy: 1.6788422691680225
Energy: 1.3368649062240014
Energy: 1.892743387461178
Energy: 1.3368649062240014
Energy: 1.8367575449968772
Energy: 1.6377638952777847
Energy: 1.8194601387952414
Energy: 1.6377638952777847
Energy: 2.109335067044404
Energy: 1.3139037190558536
Energy: 1.668061928596487
Energy: 1.3139037190558536
Energy: 1.8375117042484772
Energy: 1.3319037653641124
Energy: 1.8409332982023077
Energy: 1.3319037653641124
Energy: 1.747000682399039
Energy: 1.3144054188786716
Energy: 1.9323013137387706
Energy: 1.3144054188786716
Energy: 1.8421283117897207
Energy: 1.3390624051260378
Energy: 1.8416214928165437
Energy: 1.3390624051260378
Energy: 1.917860645352894
Energy: 1.3144637456970865
Energy: 1.7476055110143374
Energy: 1.3144637456970865
Energy: 1.841979083983388
Energy: 1.3150914347929916
Energy: 1.837565997485391
Energy: 1.3150914347929916
Energy: 1.8466036369300944
Energy: 1.3148028530658342
Energy: 1.7749513912845674
Energy: 1.3148028530658342
Energy: 1.841716113318371
Energy: 1.3149796912026093
Energy: 1.8384261357220122
Energy: 1.3149796912026093
Energy: 1.7728488337307127
Energy: 1.31489354393518
Energy: 1.8498956973308842
Energy: 1.31489354393518
Energy: 1.8312941411896209
Energy: 1.3073217937817325
Energy: 1.8376923367805293
Energy: 1.3073217937817325
Energy: 1.8572194135998463
Energy: 1.3146445647784302
Energy: 1.6722428130648064
Energy: 1.3146445647784302
Energy: 1.8347935813035705
Energy: 1.3318490108218877
Energy: 1.8270960991494583
Energy: 1.3318490108218877
Energy: 1.682520822055889
Energy: 1.3379011407777042
Energy: 1.889902591238974
Energy: 1.3379011407777042
Energy: 1.757591306405228
Energy: 1.5790538173676052
Energy: 1.8461615880595015
Energy: 1.5790538173676052
Energy: 1.891108723270864
Energy: 1.3642879745748506
Energy: 1.644113889182974
Energy: 1.3642879745748506
Energy: 1.8308239823820396
Energy: 1.6064702955866934
Energy: 1.808842869939309
Energy: 1.6064702955866934
Energy: 1.7022388253163743
Energy: 1.4032182604093861
Energy: 1.9396107953387096
Energy: 1.4032182604093861
Energy: 1.716785238422679
Energy: 1.4665097116168588
Energy: 1.8582612744177083
Energy: 1.4665097116159942
Energy: 1.9399942836125978
Energy: 1.4460223431897317
Energy: 1.6442557260820094
Energy: 1.4460223431897317
Energy: 1.8376285928711593
Energy: 1.4816808848798906
Energy: 1.8086054656375212
Energy: 1.4816808848798906
Energy: 1.7021411054508329
Energy: 1.4031344922021198
Energy: 1.9397930424131924
Energy: 1.4031344922021198
Energy: 1.7578465325066541
Energy: 1.4113769651421437
Energy: 1.858291709437204
Energy: 1.4113769651421437
Energy: 1.8911384764036352
Energy: 1.36459660324787
Energy: 1.6439660665083173
Energy: 1.36459660324787
Energy: 1.830992314253316
Energy: 1.387445260443336
Energy: 1.8271064201441474
Energy: 1.387445260443336
Energy: 1.6843854214851037
Energy: 1.3378526446856427
Energy: 1.8897699573180915
Energy: 1.3378526446856427
Energy: 1.8293435204580006
Energy: 1.339303867043922
Energy: 1.8459637032769978
Energy: 1.339303867043922
Energy: 1.85719641833328
Energy: 1.315084755116689
Energy: 1.714639790717879
Energy: 1.315084755116689
Energy: 1.8347025688510465
Energy: 1.3308307086689695
Energy: 1.8389149774513676
Energy: 1.3308307086689695
Energy: 1.7439381607581006
Energy: 1.3152176340321529
Energy: 1.8500710671265128
Energy: 1.3152176340321529

minimum gb energy = 1.3073217937817325 eV
minimum distance =  2.44712110721092 Angstroms
sigma value = 85


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

Energy: 2.5879918488662907
Energy: 1.4076983250623092
Energy: 1.5587049641059028
Energy: 1.4076983250623092
Energy: 1.725426184903306
Energy: 1.2759776320313996
Energy: 1.7415560796704768
Energy: 1.275977632035149
Energy: 1.5867133554203758
Energy: 1.376293526266342
Energy: 2.5224266036018625
Energy: 1.376293526266342
Energy: 1.707794644512824
Energy: 1.24283239753397
Energy: 1.7415674723341885
Energy: 1.2428323973825508
Energy: 2.330740381652149
Energy: 1.305496993231842
Energy: 1.53709001383118
Energy: 1.305496993231842
Energy: 1.7078394305526636
Energy: 1.0774390776781326
Energy: 1.7240570357497556
Energy: 1.077439078684855
Energy: 1.564784865691002
Energy: 1.2904757812146375
Energy: 2.2832968049620774
Energy: 1.2904757812146375
Energy: 1.709796541550054
Energy: 1.2542811068097084
Energy: 1.7240797406056887
Energy: 1.2542811068097084
Energy: 2.106082987771014
Energy: 1.2403138516347092
Energy: 1.6333378339104134
Energy: 1.2403138516354593
Energy: 1.7098568755117112
Energy: 1.4762799953996757
Energy: 1.71668679147668
Energy: 1.4762799953996757
Energy: 1.617319504836896
Energy: 1.240549332927204
Energy: 2.0724653630526433
Energy: 1.240549332927954
Energy: 1.7195643993779375
Energy: 1.2130103429787886
Energy: 1.7168362196859563
Energy: 1.2130103429787886
Energy: 1.911487297898786
Energy: 1.2415816446201173
Energy: 1.6943986590287679
Energy: 1.2415816446201173
Energy: 1.7201505679252092
Energy: 1.2209775426705451
Energy: 1.720418926015478
Energy: 1.2209775426705451
Energy: 1.69327348781115
Energy: 1.2409788297090707
Energy: 1.7753930900754913
Energy: 1.2409788297090707
Energy: 1.7169422320345165
Energy: 1.2077496857785242
Energy: 1.719612965780185
Energy: 1.2077496857777743
Energy: 1.754339471102752
Energy: 1.241781172200295
Energy: 1.7752752833006897
Energy: 1.241781172200295
Energy: 1.7185211182717341
Energy: 1.208040198767258
Energy: 1.7203370473554982
Energy: 1.2080401987680078
Energy: 1.790126865584752
Energy: 1.2414533940408141
Energy: 1.7539862648746607
Energy: 1.2414533940408141
Energy: 1.7173760638155589
Energy: 1.199732863475977
Energy: 1.7143097448051356
Energy: 1.199732863475977
Energy: 1.6379614654365753
Energy: 1.2408437804553951
Energy: 1.7424391602089786
Energy: 1.2408437804553951
Energy: 1.7115159705940446
Energy: 1.2139580020204048
Energy: 1.7154092546864932
Energy: 1.2139580020211547
Energy: 1.7826238354788457
Energy: 1.2404960533920595
Energy: 1.651201851569344
Energy: 1.2404960533920595
Energy: 1.7293961769710495
Energy: 1.4376764455539142
Energy: 1.6921748962264638
Energy: 1.4376764455539142
Energy: 1.5674236397479238
Energy: 1.291256676133731
Energy: 1.7822382631854568
Energy: 1.291256676133731
Energy: 1.7078151079905877
Energy: 1.4646430777462554
Energy: 1.7239502996567468
Energy: 1.4646430777462554
Energy: 1.839697783762838
Energy: 1.3052831015562008
Energy: 1.5365989043426866
Energy: 1.3052831015562008
Energy: 1.7556131025541175
Energy: 1.473609478178428
Energy: 1.688860261533538
Energy: 1.473609478179178
Energy: 1.5850987346737981
Energy: 1.3756592018869356
Energy: 1.839409081450802
Energy: 1.3756592018869356
Energy: 1.72565779116292
Energy: 1.3963841149463914
Energy: 1.7416027855690908
Energy: 1.3963841149463914
Energy: 1.9166160178786646
Energy: 1.40722485679478
Energy: 1.5361716093456592
Energy: 1.40722485679478
Energy: 1.7935738437840936
Energy: 1.3875588920598716
Energy: 1.6888516784253356
Energy: 1.3875588920598716
Energy: 1.584688076455346
Energy: 1.3757178035962103
Energy: 1.839463517926992
Energy: 1.3757178035962103
Energy: 1.707793501075876
Energy: 1.3352698824286084
Energy: 1.7413596135704579
Energy: 1.3352698824286084
Energy: 1.8395115757386689
Energy: 1.3052091174886384
Energy: 1.5361508159739203
Energy: 1.3052091174886384
Energy: 1.7557513241004252
Energy: 1.2855835020036956
Energy: 1.6920527935783332
Energy: 1.2855835020036956
Energy: 1.5674070293621352
Energy: 1.2898815579257932
Energy: 1.7824869405299624
Energy: 1.2898815579257932
Energy: 1.7116133673888234
Energy: 1.2542421194342857
Energy: 1.7240579073218096
Energy: 1.2542421194342857
Energy: 1.7822591562710108
Energy: 1.2406594263893247
Energy: 1.6315041616430475
Energy: 1.2406594263893247
Energy: 1.729376471504825
Energy: 1.2251494926606694
Energy: 1.7139042590896585
Energy: 1.2251494926606694
Energy: 1.6160259214388577
Energy: 1.2400036383640138
Energy: 1.742386110594618
Energy: 1.2400036383640138
Energy: 1.7192826409475825
Energy: 1.2137126821349697
Energy: 1.7155373551605808
Energy: 1.2137126821357027
Energy: 1.7902596780620756
Energy: 1.2100695224475904
Energy: 1.6960894780449303
Energy: 1.2100695224475904

minimum gb energy = 1.0774390776781326 eV
minimum distance =  2.45424450811064 Angstroms
sigma value = 113


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

Energy: 0.008920258597195934
Energy: 0.010347296677090835
Energy: 2.0686710303601044
Energy: 0.010347296677090835
Energy: 0.009498330161143285
Energy: 1.7260398125237215
Energy: 0.009498330161143285
Energy: 1.7260398125237215
Energy: 2.0686710303601044
Energy: 0.010347296676530338
Energy: 0.008920258597195934
Energy: 0.010347296677090835
Energy: 0.009498330161143285
Energy: 1.7260398125237215
Energy: 0.009498330161143285
Energy: 1.7260398125248426
Energy: 0.008920258597195934
Energy: 0.010347296677090835
Energy: 2.0686710303601044
Energy: 0.010347296677090835
Energy: 0.009498330161143285
Energy: 1.7260398125237215
Energy: 0.009498330161143285
Energy: 1.7260398125237215

minimum gb energy = 0.008920258597195934 eV
minimum distance =  2.72906827375477 Angstroms
sigma value = 1