Model name: model_name=Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_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=3.149100035429001
cohesive_energy=6.880871308375725
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.11239998930804e-20, 1.577469468127086e-19, 2.8023671505294e-19, 4.3016680228602603e-19, 5.477713737515279e-19, 6.31702998900252e-19, 6.94572410018412e-19, 7.43224105686456e-19, 7.846900391510099e-19, 8.23651770536622e-19, 8.620895901629159e-19, 9.006123251508118e-19, 9.37587357510264e-19, 9.713195843625e-19, 1.0007579778356159e-18, 1.025630167901832e-18, 1.045979413330266e-18, 1.062344045469942e-18, 1.075321676205342e-18, 1.085420195529444e-18, 1.0929968888316299e-18, 1.0982600390743199e-18, 1.1013474334480378e-18, 1.102350396020922e-18, 1.1012753354995079e-18, 1.0977841926140219e-18, 1.091295377246322e-18, 1.0810190163158459e-18, 1.0663478848783079e-18, 1.046859008302332e-18, 1.022066927067816e-18, 9.907940413487699e-19, 9.5068354931658e-19, 8.991110856447539e-19, 8.37653192141148e-19, 7.64770177060488e-19, 7.138994667543539e-19, 6.834340780588439e-19, 6.498973167559559e-19, 6.16102605014994e-19, 5.839917809163659e-19, 5.53010491344708e-19, 5.19563451933324e-19, 4.7727239750226e-19, 4.2140289609804593e-19, 3.5801918628037194e-19, 2.86943426442864e-19, 2.3278024315386e-19, 2.2520194767504e-19, 2.46845751823746e-19, 2.4846875675398798e-19, 1.9514992055110198e-19, -1.149431958587646e-19, -7.602648563656799e-19]
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: 0.017484700277976186
Energy: 1.711409426596725
Energy: 5.103192251702104
Energy: 0.01786796187614715
Energy: 1.7114090181033461
Energy: 0.32744722155056755
Energy: 1.7058955076459026
Energy: 0.32744722155056755
Energy: 5.103192286074377
Energy: 1.7058955076459026
Energy: 2.3612513516628195
Energy: 1.7058955076467293
Energy: 0.01786796187614715
Energy: 0.32744722155056755
Energy: 1.7058955076459026
Energy: 0.32744722155056755

minimum gb energy = 0.017484700277976186 eV
minimum distance =  2.68118077598982 Angstroms
sigma value = 1


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

Energy: 3.190602404192481
Energy: 2.920977405087821
Energy: 2.711390762231204
Energy: 2.3980842898946535
Energy: 3.0029151810087726
Energy: 1.6772383132838933
Energy: 1.642972353255875
Energy: 1.6723509440607531
Energy: 2.8332935580961687
Energy: 1.6629589455891591
Energy: 1.6440479865426485
Energy: 1.6540745506479249
Energy: 3.016575298467214
Energy: 1.782962665464474
Energy: 1.6734609694907894
Energy: 1.7828886637348893
Energy: 2.911765189194839
Energy: 1.7016828672389235
Energy: 2.446405622739884
Energy: 2.166781563104998
Energy: 2.897236362013224
Energy: 1.9799325207275187
Energy: 1.9175240461695122
Energy: 1.9799575655160986
Energy: 2.441303432291021
Energy: 1.9314792351236825
Energy: 2.012589356788413
Energy: 1.9314792161284586
Energy: 2.3585517298407535
Energy: 1.9802538923602802
Energy: 1.9464456911222336
Energy: 1.9802538923322583
Energy: 2.2573746748538865
Energy: 2.0949441131209547
Energy: 2.187728254419524
Energy: 2.0813773441147734
Energy: 2.357934786403033
Energy: 1.9701258063790572
Energy: 2.384282110619601
Energy: 1.970125806097517
Energy: 2.392051255671885
Energy: 2.0560798893637218
Energy: 2.310437924873846
Energy: 2.0496561557503825
Energy: 1.9577098292068003
Energy: 1.9850523317762365
Energy: 2.3670382466531645
Energy: 1.9850523637498658
Energy: 2.0103607416008904
Energy: 1.9949997424374988
Energy: 2.4296903321205674
Energy: 1.9949997424174963
Energy: 1.9603896617190324
Energy: 1.9938350012666506
Energy: 2.867550414540123
Energy: 1.9938339310678537
Energy: 2.194391801039278
Energy: 2.086273417163713
Energy: 2.644523089023101
Energy: 2.0530928166725224
Energy: 1.6866966026828498
Energy: 1.8573468138700944
Energy: 2.8712952739461746
Energy: 1.8622652288490718
Energy: 1.6525436607906288
Energy: 1.6975041395514197
Energy: 2.8292433448072147
Energy: 1.6975039684511972
Energy: 1.7709339638511334
Energy: 1.8002561142611802
Energy: 2.9746573405394554
Energy: 1.7596874712681991
Energy: 1.8187834640218539
Energy: 1.7124245701023573
Energy: 2.8509316559412086
Energy: 1.7069918776472217
Energy: 1.7294852274294314
Energy: 1.6689263548108446
Energy: 2.915052835603962
Energy: 1.6477570628378637
Energy: 1.7556573928521872
Energy: 1.794501886684892
Energy: 2.8446029533119574
Energy: 1.7945025577546647
Energy: 1.7687005760529622
Energy: 1.9809617411567164
Energy: 2.6645138774743304
Energy: 1.9809617012785972
Energy: 1.8701947670308317
Energy: 2.1188005411264608
Energy: 2.4451281850371576
Energy: 2.109244016764378
Energy: 2.1397300305795373
Energy: 1.9949373150677965
Energy: 2.684600114747253
Energy: 1.9948327514553454
Energy: 2.1829426371471383
Energy: 2.0007974027866933
Energy: 2.7502445870034298
Energy: 1.997747024020162
Energy: 2.124150836204014
Energy: 1.978826175422749
Energy: 2.125180439873065
Energy: 1.9788261757704024
Energy: 2.2009591391391967
Energy: 2.04634020591638
Energy: 2.2088222427691955
Energy: 2.0190693521425787
Energy: 2.665233928599971
Energy: 1.9774581573000105
Energy: 2.117933615481473
Energy: 1.9774581559463493
Energy: 2.5491119268457583
Energy: 2.213967751759178
Energy: 2.2774810417265376
Energy: 2.2100257288152654
Energy: 2.5196502702476278
Energy: 2.0159977916150362
Energy: 1.853272511905876
Energy: 2.016050131380818
Energy: 2.663354687435402
Energy: 1.8029456419074417
Energy: 1.746041689308327
Energy: 1.8029456548557752
Energy: 2.9632010665870068
Energy: 1.7871693283485661
Energy: 1.8481849457674517
Energy: 1.8249717683935147
Energy: 2.979572797051333
Energy: 1.726208193451632
Energy: 1.8767311984072785
Energy: 1.6974823737681621

minimum gb energy = 1.642972353255875 eV
minimum distance =  2.43005793577078 Angstroms
sigma value = 1


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

Energy: 4.564979837976397
Energy: 3.319064113287238
Energy: 1.6982311964668324
Energy: 3.0040595074328946
Energy: 2.8096880884641138
Energy: 1.6581551471244957
Energy: 1.6542770682205508
Energy: 1.6605240223097584
Energy: 2.686089424888328
Energy: 1.6785148984062561
Energy: 1.6592747041596718
Energy: 1.6785075113503403
Energy: 2.7271054038566436
Energy: 1.6697902099192388
Energy: 1.6625575250528586
Energy: 1.659049114322567
Energy: 2.485136425414708
Energy: 1.684932435192752
Energy: 1.7335827225430136
Energy: 2.001026132068438
Energy: 2.8058008673032684
Energy: 1.9547618811251788
Energy: 1.8708514400982306
Energy: 1.9547624004035913
Energy: 2.437612897274491
Energy: 1.8969970001229142
Energy: 1.8798153324439604
Energy: 1.8969963893817205
Energy: 2.3959135674307364
Energy: 2.0126586815519243
Energy: 1.9323664943738932
Energy: 2.012659847967697
Energy: 2.5126557842960873
Energy: 1.7778244169603052
Energy: 2.598901814139114
Energy: 1.9102823164274974
Energy: 2.382158434957197
Energy: 2.10000337832323
Energy: 2.3881983525432364
Energy: 2.1000033776549327
Energy: 2.218609301885639
Energy: 2.102179200508597
Energy: 2.0640628302622295
Energy: 2.102186481424027
Energy: 1.9551505021600113
Energy: 2.034657317573808
Energy: 2.0519394602741072
Energy: 2.0346573768251237
Energy: 1.8791080815375356
Energy: 1.8815787237466854
Energy: 2.3947506887208467
Energy: 1.881578728777876
Energy: 1.8582870382784276
Energy: 2.043459741086704
Energy: 2.781518589969939
Energy: 2.0434597423102527
Energy: 1.9020701320462408
Energy: 1.9011622143297553
Energy: 2.6771287984347265
Energy: 1.6643317158422708
Energy: 1.6979396793448862
Energy: 1.6641918531206656
Energy: 2.7176200191409747
Energy: 1.6685814647566308
Energy: 1.6514151145214233
Energy: 1.701766392326461
Energy: 2.6877328059539614
Energy: 1.7017663962346274
Energy: 1.7706868183775297
Energy: 1.7903331438286836
Energy: 2.7861394159899473
Energy: 1.743012332934267
Energy: 1.8564866893562237
Energy: 1.663368609787776
Energy: 2.4023728437229828
Energy: 1.9776636510679229
Energy: 1.867733845293662
Energy: 2.0493075537642973
Energy: 2.791581878117623
Energy: 2.049307554750223
Energy: 1.871583815608332
Energy: 1.9199187585453679
Energy: 2.707557720734917
Energy: 1.9199191730245129
Energy: 1.930582487739909
Energy: 1.8908764076624658
Energy: 2.385933948060447
Energy: 1.890880386252923
Energy: 1.982376025560812
Energy: 1.7724428364098375
Energy: 2.4465511494223895
Energy: 2.1103306149447634
Energy: 2.3879739760579852
Energy: 2.029320436202264
Energy: 2.4002865925087598
Energy: 2.02932043552368
Energy: 2.10974116567785
Energy: 2.0691707107301296
Energy: 2.4507911941825844
Energy: 2.097185546100461
Energy: 2.064418584570793
Energy: 2.0368192014246116
Energy: 1.9788810560883814
Energy: 2.0368192015389037
Energy: 2.4014131239303147
Energy: 1.9562390643559653
Energy: 1.984275145308881
Energy: 1.9562390643673946
Energy: 2.741229403538334
Energy: 1.8717481565354117
Energy: 1.964974147254948
Energy: 1.871747921187903
Energy: 2.689957722983168
Energy: 1.8822322316933953
Energy: 1.9289163493631376
Energy: 1.942002325188513

minimum gb energy = 1.6514151145214233 eV
minimum distance =  2.42085738994916 Angstroms
sigma value = 25


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

Energy: 3.9491726490379255
Energy: 1.7746689047095061
Energy: 1.849345969092213
Energy: 1.8664638631586092
Energy: 2.638832120505636
Energy: 1.7427760576861389
Energy: 1.706269209132776
Energy: 1.7766805098821128
Energy: 2.5832472548535046
Energy: 1.732919618741647
Energy: 1.7112563304177149
Energy: 1.7330663198275629
Energy: 2.643541936924277
Energy: 1.7196467760852698
Energy: 1.7134495260266822
Energy: 1.7179825393752775
Energy: 2.433856155352211
Energy: 1.730507451999406
Energy: 2.0764044713931717
Energy: 1.7470692632763318
Energy: 2.614072313904953
Energy: 2.14655031063287
Energy: 2.1262829078511505
Energy: 2.146550126672975
Energy: 2.629080131782618
Energy: 2.093863327842061
Energy: 2.1566395474386186
Energy: 2.0936470666620552
Energy: 2.1360314848837954
Energy: 2.025376219085303
Energy: 2.140488352554412
Energy: 2.028418370357124
Energy: 2.186424482768416
Energy: 2.090550412686008
Energy: 2.1852676171114833
Energy: 2.0875556295127593
Energy: 2.149967466315941
Energy: 2.105092319439558
Energy: 2.6063896015352332
Energy: 2.105092353641618
Energy: 2.215050928503586
Energy: 2.010418782930554
Energy: 2.728614727662305
Energy: 1.9563349595136568
Energy: 1.7423791960382857
Energy: 1.728387578101236
Energy: 2.589432116838394
Energy: 1.744102784914838
Energy: 1.716103765442123
Energy: 1.7193978037068234
Energy: 2.643070887378699
Energy: 1.711706539662178
Energy: 1.8832110470446024
Energy: 1.7075977625074927
Energy: 2.7417176022132175
Energy: 1.772077499197866
Energy: 1.75890788162702
Energy: 1.782764054741418
Energy: 2.4043295324015443
Energy: 1.7672278999763602
Energy: 1.8312943602679352
Energy: 1.7724297229754105
Energy: 2.588652311331545
Energy: 1.9169505907186903
Energy: 1.8783827600206513
Energy: 1.9511441270588794
Energy: 2.635755165011328
Energy: 1.9511441305781492
Energy: 1.8794207997143342
Energy: 1.9339052738089735
Energy: 2.411317421831314
Energy: 1.9339052772498848
Energy: 2.0961300610900397
Energy: 1.7412745199779431
Energy: 2.1479643352704954
Energy: 1.871487556970482
Energy: 2.4062642113063872
Energy: 2.1285745773442173
Energy: 2.417325082477634
Energy: 2.1285746050894017
Energy: 2.264010910967853
Energy: 2.0573800488021354
Energy: 2.471492562396839
Energy: 2.182871643946284
Energy: 2.248379600722999
Energy: 1.9929142109543954
Energy: 1.9605289429445112
Energy: 1.9301328792512702
Energy: 2.4356747151870817
Energy: 1.9363529539331652
Energy: 1.9049201721037043
Energy: 1.93635300256161
Energy: 2.668689795990397
Energy: 1.7851030172131312
Energy: 2.007707729886504
Energy: 1.758658384033061
Energy: 2.6291972852385808
Energy: 1.7170159495661657
Energy: 1.8935323379901785
Energy: 1.7279533202238897

minimum gb energy = 1.706269209132776 eV
minimum distance =  2.41954210992926 Angstroms
sigma value = 9


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

Energy: 3.0205440104594166
Energy: 3.0209785581060986
Energy: 3.4164018925510584
Energy: 2.497035840419225
Energy: 2.433398521171536
Energy: 1.8071157301031298
Energy: 1.6898351514394134
Energy: 1.7442299082839192
Energy: 2.3837142652053784
Energy: 1.666989793712076
Energy: 1.6597569613329037
Energy: 1.6653694344000316
Energy: 2.4176567381956775
Energy: 1.7039966582741082
Energy: 1.665494429461045
Energy: 1.6681085210596525
Energy: 2.2751964513493985
Energy: 1.9613252974202926
Energy: 1.6771425980386672
Energy: 1.961324883712719
Energy: 2.411540863641013
Energy: 1.87312404786797
Energy: 2.1551876517929287
Energy: 1.8731234859291483
Energy: 1.9822051527952076
Energy: 1.8693603351841135
Energy: 1.6444924091604607
Energy: 1.867834640637734
Energy: 2.031511294279088
Energy: 1.839932318672635
Energy: 2.0297003355606957
Energy: 1.839932306817776
Energy: 2.049620240553076
Energy: 1.9661792215721166
Energy: 2.52272710911822
Energy: 1.9661623528010672
Energy: 2.1808024130013184
Energy: 2.011623242600176
Energy: 2.401970786072386
Energy: 2.011623261672881
Energy: 1.9940037075515207
Energy: 1.7051850163595739
Energy: 2.3635747121015602
Energy: 1.7019712592036533
Energy: 1.6634095373201887
Energy: 1.7197627576965704
Energy: 2.3177570996121464
Energy: 1.709508307296539
Energy: 1.6638009356951937
Energy: 1.6901165348916545
Energy: 2.3692858667234296
Energy: 1.6917193951733436
Energy: 1.8466569121393295
Energy: 1.7273933310504812
Energy: 2.427338288741729
Energy: 1.7273900008280922
Energy: 1.8583187751582388
Energy: 1.9053768874024015
Energy: 2.2894910034414235
Energy: 1.6922845059870932
Energy: 1.9797126994405803
Energy: 1.848674167231
Energy: 2.4202293487842796
Energy: 1.843472097510707
Energy: 1.6699278589279343
Energy: 1.9707123117697467
Energy: 2.370435856994243
Energy: 1.9707122927699137
Energy: 1.6624806456660137
Energy: 1.861524639312683
Energy: 2.1301859697064303
Energy: 1.8615245723927158
Energy: 2.076058965137995
Energy: 1.851624674181735
Energy: 2.3157412669251167
Energy: 1.8647305393359777
Energy: 2.4030647204695597
Energy: 1.8376070880109545
Energy: 2.141133292450821
Energy: 1.8438348174025605
Energy: 2.2974934081553338
Energy: 1.9411579436244792
Energy: 1.9933247986639966
Energy: 1.9411577142784116

minimum gb energy = 1.6444924091604607 eV
minimum distance =  2.40031434240111 Angstroms
sigma value = 25


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

Energy: 2.607840712924435
Energy: 3.1923661717657588
Energy: 2.6444896472671613
Energy: 1.9413381207084184
Energy: 2.542366198494243
Energy: 2.0509176317235354
Energy: 1.8569056864509728
Energy: 2.02871434945135
Energy: 2.1627036494374665
Energy: 1.896838204837246
Energy: 1.8484190011973358
Energy: 1.8968388708614798
Energy: 2.3825551115615875
Energy: 1.9801628961308109
Energy: 1.8443985831742533
Energy: 1.9801628962542521
Energy: 2.247439391945714
Energy: 1.8858233823496844
Energy: 2.2142618249621546
Energy: 1.8979848020371688
Energy: 2.261049553151964
Energy: 1.9146932474655278
Energy: 2.188769140890104
Energy: 1.9147089867036586
Energy: 2.284472562651646
Energy: 1.9067134195383815
Energy: 2.3823507814081846
Energy: 1.910313077454398
Energy: 1.8732576981886353
Energy: 1.9683264816473196
Energy: 2.3539864771909658
Energy: 1.9671812972178178
Energy: 1.8329106268927973
Energy: 1.9549890081961245
Energy: 2.218916323804841
Energy: 1.9549890085468475
Energy: 1.9006695032184688
Energy: 2.2468580675337613
Energy: 2.3187456404994626
Energy: 2.2468574036372537
Energy: 1.8517068169589226
Energy: 1.9770289475025407
Energy: 2.329270204785815
Energy: 1.9770285771192135
Energy: 2.0341243740088717
Energy: 1.94185551944499
Energy: 2.358601627720711
Energy: 1.9178102921385132
Energy: 2.1612086212862875
Energy: 1.9692213482262064
Energy: 2.1578712805819
Energy: 1.9692213469918818
Energy: 2.1485459835732974
Energy: 2.104479778240728
Energy: 2.1660366117636904
Energy: 2.1044797782446483
Energy: 2.1008039381407073
Energy: 2.1913165977212525
Energy: 2.1401962575596856
Energy: 2.19131656715542
Energy: 2.1805477520920316
Energy: 1.885092316046701
Energy: 2.1453387397981047
Energy: 1.9041329086607517
Energy: 2.7158012176753044
Energy: 1.8446658502577347
Energy: 2.0045968153320355
Energy: 1.8554209733439746

minimum gb energy = 1.8329106268927973 eV
minimum distance =  2.38309202246761 Angstroms
sigma value = 17


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

Energy: 3.857249076427243
Energy: 3.4125406895180914
Energy: 2.8090798680158597
Energy: 1.879592363386194
Energy: 2.4140952322220453
Energy: 2.1971981475542046
Energy: 2.2064881649621473
Energy: 2.197005228544769
Energy: 2.387565821411661
Energy: 1.9746075935159608
Energy: 1.90944444770784
Energy: 1.9746075609777285
Energy: 2.3219757354682042
Energy: 2.00032001413151
Energy: 1.9099665294427874
Energy: 2.000319971925289
Energy: 2.3485500385685443
Energy: 2.0109581111898778
Energy: 2.2174325830471897
Energy: 2.010902365060848
Energy: 2.3014331160516095
Energy: 2.0478244371464354
Energy: 2.289244313123396
Energy: 2.0478232925212847
Energy: 2.0736296586497907
Energy: 1.9477157046644797
Energy: 2.339840953552367
Energy: 1.947666894168754
Energy: 1.875148741228001
Energy: 2.1190483655991454
Energy: 2.506208741888958
Energy: 2.1190486534686626
Energy: 1.901029936371851
Energy: 1.9412904656014152
Energy: 2.2319176231485334
Energy: 1.9413014539430546
Energy: 1.8685448795748498
Energy: 1.9530639912524461
Energy: 2.384497939860173
Energy: 1.9530906896458353
Energy: 1.9365788122407763
Energy: 2.068876282260277
Energy: 2.3526826325917938
Energy: 2.055168039941222
Energy: 2.206638428782412
Energy: 2.0018888213553367
Energy: 2.4406896578225354
Energy: 2.001888612424596
Energy: 2.4077962466760217
Energy: 1.939721017967176
Energy: 2.177679626546259
Energy: 1.9050190028579934
Energy: 2.421581227525428
Energy: 2.0136049301415735
Energy: 1.9012196715421807
Energy: 2.0123213152652277
Energy: 2.324236529402848
Energy: 1.9307001116436477
Energy: 1.8580438589440142
Energy: 1.9307324390111094
Energy: 2.238423110762098
Energy: 1.9698718624360914
Energy: 1.9170187808086327
Energy: 1.969871997779712
Energy: 2.5426375936145087
Energy: 1.9240973681259121
Energy: 1.8578517755132795
Energy: 1.9569972240646067
Energy: 2.5436401791015
Energy: 1.9082634937781726
Energy: 2.060031884852461
Energy: 1.9089904990718602
Energy: 2.2721829048953848
Energy: 2.011938459040994
Energy: 2.287228411463716
Energy: 2.011938451969436
Energy: 1.9675673436835228
Energy: 2.1646101163733644
Energy: 2.3453423065455374
Energy: 2.1658943219096916
Energy: 1.8980294936994453
Energy: 1.9748154150049844
Energy: 2.3070904923147326
Energy: 1.974815415381158
Energy: 1.9972855298070888
Energy: 1.9980094585410264
Energy: 2.1608991742215014
Energy: 1.998007622908326
Energy: 2.1677525161783344
Energy: 2.1769536766894637
Energy: 2.3959988655200957
Energy: 2.1733222969539536
Energy: 1.9871694454769846
Energy: 1.9465206289048114
Energy: 2.4822341369771936
Energy: 1.9472438487287178
Energy: 2.3155747462859226
Energy: 2.1133617558493505
Energy: 2.391189399256659
Energy: 2.1133617242920457
Energy: 2.087995535077169
Energy: 1.9762714295973267
Energy: 2.23588612481838
Energy: 1.9762704524479329
Energy: 2.1177391609354483
Energy: 2.0335741778567877
Energy: 2.104118474447532
Energy: 2.0850213876711705
Energy: 2.3369965704971625
Energy: 1.9639660818728077
Energy: 2.082274412820027
Energy: 1.9639655854453926
Energy: 2.253068755856272
Energy: 2.1196566609428875
Energy: 2.3294988179326586
Energy: 2.1196563058886686
Energy: 2.7161010453284495
Energy: 1.9692272352269684
Energy: 1.98611332802828
Energy: 1.9689839614938482

minimum gb energy = 1.8578517755132795 eV
minimum distance =  2.36588380781525 Angstroms
sigma value = 53


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

Energy: 1.6104191742970004
Energy: 3.638652472991682
Energy: 3.7822707912088176
Energy: 1.591900303957975
Energy: 2.043650563537258
Energy: 1.72710274289254
Energy: 1.7035811856131768
Energy: 1.7272272353500637
Energy: 1.8602017651088225
Energy: 1.6801085495270374
Energy: 1.649109862667013
Energy: 1.6801085494248114
Energy: 1.6791440382622917
Energy: 1.8056315928785618
Energy: 1.8691684836397386
Energy: 1.8056315763329982
Energy: 1.6908485226859622
Energy: 1.6387546002591802
Energy: 1.7373643174130728
Energy: 1.6387546055061604
Energy: 2.0587318959668637
Energy: 1.779706113104795
Energy: 2.03341024708478
Energy: 1.7797061135084133
Energy: 1.8389353016362762
Energy: 1.654104819183719
Energy: 1.6185121764141213
Energy: 1.6471887145771027
Energy: 1.661687489086116
Energy: 1.958670572399367
Energy: 1.629585120142296
Energy: 1.8560362013311422
Energy: 1.6562092279217644
Energy: 1.6734621565848484
Energy: 2.092827996271769
Energy: 1.6734621633262445
Energy: 1.7354667434827697
Energy: 1.6350629614827041
Energy: 2.03309519027684
Energy: 1.635063795485742
Energy: 1.6721666393412493
Energy: 1.6470837318547695
Energy: 1.67583122767503
Energy: 1.6499892709685973
Energy: 1.8059512055688403
Energy: 1.6727411153906049
Energy: 2.039198033462452
Energy: 1.6754582786986896
Energy: 1.6099877204800086
Energy: 1.9722144773296262
Energy: 1.9003981079016785
Energy: 1.9722144772555703

minimum gb energy = 1.591900303957975 eV
minimum distance =  2.40548226714671 Angstroms
sigma value = 9


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

Energy: 3.043828563271326
Energy: 2.145536350507984
Energy: 3.2662261799787413
Energy: 2.1438305774586417
Energy: 2.6350980565599267
Energy: 2.077583369561714
Energy: 2.345077044263274
Energy: 2.0775688576039344
Energy: 2.280534728624854
Energy: 2.14346332345319
Energy: 2.083408926641745
Energy: 2.1434633234418397
Energy: 2.1065105187417723
Energy: 2.0931824093629743
Energy: 2.0628835834282615
Energy: 2.093182413918243
Energy: 2.0546264591883228
Energy: 2.0677303321538933
Energy: 2.2616311370977145
Energy: 2.067714739787778
Energy: 2.226240813107253
Energy: 2.017720509319309
Energy: 2.578563522881593
Energy: 2.01926140343536
Energy: 2.1872450302028645
Energy: 2.1667887144755933
Energy: 2.7355865950893974
Energy: 2.488654508174795
Energy: 2.5328338826626706
Energy: 2.11423426083546
Energy: 2.6936415446994646
Energy: 2.1329972825087467
Energy: 2.307163548180512
Energy: 2.136867626768172
Energy: 2.4233004481941007
Energy: 2.130967877013155
Energy: 2.132273779308367
Energy: 2.0205071324154944
Energy: 2.0735551213756542
Energy: 2.020507420978092
Energy: 2.3656311159221097
Energy: 2.0180591534870422
Energy: 1.9259293138619786
Energy: 2.0180591373573695
Energy: 2.6413517138560936
Energy: 1.967387670233585
Energy: 2.1007230940060713
Energy: 1.9674010563371818
Energy: 2.7052195032281596
Energy: 2.271544878517271
Energy: 2.135270151040903
Energy: 2.271548578099728
Energy: 2.733206202348062
Energy: 2.2097261932474463
Energy: 2.4627107104456507
Energy: 2.2205382272010046
Energy: 2.5820765943000348
Energy: 1.954798329402178
Energy: 2.517466106827021
Energy: 1.9552671783749853
Energy: 2.3829632995751746
Energy: 1.947870654064892
Energy: 2.4148556095980327
Energy: 1.9394997077700769
Energy: 1.9252278318212335
Energy: 1.9922335691971653
Energy: 2.523670342302281
Energy: 1.9924790408442168
Energy: 2.0404980106785406
Energy: 1.994067756729314
Energy: 2.5625857418143214
Energy: 1.9940677623671519
Energy: 1.9796598056157193
Energy: 1.9866873232834856
Energy: 2.673628206265502
Energy: 1.986664116129966
Energy: 2.457348170482979
Energy: 1.956335378230632
Energy: 2.5615500979563492
Energy: 1.9846205804160217
Energy: 2.552267673892633
Energy: 1.9482393823736286
Energy: 2.6372502744851354
Energy: 1.9482393824237607
Energy: 2.6376074641792333
Energy: 2.0828942097129652
Energy: 2.4344806762715168
Energy: 2.1000345806484
Energy: 2.605566399175896
Energy: 2.1051610543387995
Energy: 2.0420726038778234
Energy: 2.0544616518672414
Energy: 2.6427648099776735
Energy: 1.9354549592534624
Energy: 1.9887502528022574
Energy: 1.9354450974869206
Energy: 2.5179527350662587
Energy: 1.9522955629151442
Energy: 1.913433585099456
Energy: 1.952295915532262
Energy: 2.269448140619989
Energy: 1.9628641011387573
Energy: 1.996943918605242
Energy: 1.9628240181524867
Energy: 2.5024246776714882
Energy: 2.0192118145199855
Energy: 2.4182869126326825
Energy: 2.0192112308549612
Energy: 2.499090143449068
Energy: 1.9729296629534474
Energy: 2.775216844532014
Energy: 1.9676313927057107
Energy: 2.103471300891491
Energy: 2.1137655515026283
Energy: 2.6612435950687856
Energy: 2.135151651824378
Energy: 2.1031186517553677
Energy: 1.957274759574104
Energy: 2.710854368435836
Energy: 1.9572744481330495
Energy: 1.959005683749061
Energy: 2.0374263355117517
Energy: 2.4610070273412306
Energy: 2.0374263390638627
Energy: 1.9942663556051223
Energy: 2.031226115797657
Energy: 2.276109436014716
Energy: 2.0273430914091985
Energy: 2.291718979478873
Energy: 2.028186220242315
Energy: 2.269813503630008
Energy: 2.0183373984715183
Energy: 2.6450178387342627
Energy: 2.0185010897712266
Energy: 2.4157199657718356
Energy: 2.011977858588274
Energy: 2.6762230910005904
Energy: 2.1644105227796007
Energy: 2.2503316746047877
Energy: 2.13807923659254

minimum gb energy = 1.913433585099456 eV
minimum distance =  2.32739899015679 Angstroms
sigma value = 73


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

Energy: 2.917736026519956
Energy: 3.2901627943285856
Energy: 2.9993018892935077
Energy: 2.7467906868655976
Energy: 2.4783088789234324
Energy: 2.051257240762747
Energy: 2.3301391844674173
Energy: 2.050867991776588
Energy: 2.3791796184764045
Energy: 2.1751642015629042
Energy: 2.1258053415147082
Energy: 2.1751642015584025
Energy: 2.1362359587399453
Energy: 2.1222294999578213
Energy: 2.1322214451812327
Energy: 2.1222296905767957
Energy: 2.121801870286187
Energy: 2.1169168496104307
Energy: 2.2743919557470575
Energy: 2.116866048400209
Energy: 2.2320641269945907
Energy: 2.033616714693913
Energy: 2.460611633250707
Energy: 2.033616714212383
Energy: 2.365875897674426
Energy: 2.207948919707725
Energy: 2.860539222026371
Energy: 2.2159382394122096
Energy: 2.5282770519008113
Energy: 2.142031233884824
Energy: 2.7677138126640806
Energy: 2.134204484773648
Energy: 2.4909468691669336
Energy: 1.9863130140327272
Energy: 2.372498679360938
Energy: 2.041913396670013
Energy: 2.237870969033225
Energy: 2.0725511014854825
Energy: 2.0533602302084066
Energy: 2.069975613946252
Energy: 2.4717423840022765
Energy: 2.012721876974026
Energy: 1.9318776129073632
Energy: 2.012806214049887
Energy: 2.6018912700458285
Energy: 2.0108723733202742
Energy: 2.0282988063209264
Energy: 2.0108727594828983
Energy: 2.436739981609293
Energy: 1.9991398775891085
Energy: 2.004264267469712
Energy: 1.9971757623295823
Energy: 2.446464162683956
Energy: 2.0818966892960415
Energy: 2.445673071543444
Energy: 2.135360411406351
Energy: 2.5754868757971847
Energy: 2.018843618027365
Energy: 2.6029654621333664
Energy: 2.0188436175068505
Energy: 2.455864741420443
Energy: 2.106681217088315
Energy: 2.673371618078087
Energy: 2.1046552218818513
Energy: 2.0109456002256287
Energy: 2.1298064123624605
Energy: 2.6055526371263884
Energy: 2.129806423126916
Energy: 2.1531314744391024
Energy: 2.010679221219708
Energy: 2.595066296041177
Energy: 2.0106792240158393
Energy: 1.9436141432100367
Energy: 2.0254060526224573
Energy: 2.443240306788592
Energy: 2.0254058642101005
Energy: 2.024480443711567
Energy: 2.2556759288445103
Energy: 2.485309928382961
Energy: 2.2556759288460113
Energy: 2.3784941330513574
Energy: 2.0351902496542005
Energy: 2.4612719787912924
Energy: 2.035190039921431
Energy: 2.6164883532315337
Energy: 2.3520672547776575
Energy: 2.5289124069646647
Energy: 2.373276670128998

minimum gb energy = 1.9318776129073632 eV
minimum distance =  2.4898354846865 Angstroms
sigma value = 7


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

Energy: 3.3764487333331736
Energy: 3.3565746570784625
Energy: 3.0645184353161747
Energy: 2.4871631721217864
Energy: 2.4095217833226403
Energy: 2.1097122373880817
Energy: 2.2793089296826703
Energy: 2.10998795736051
Energy: 2.286507126891757
Energy: 2.175164672123561
Energy: 2.160033043980825
Energy: 2.1751620297443006
Energy: 2.172541616639982
Energy: 2.1101036119451324
Energy: 2.155375794344002
Energy: 2.1100966823649494
Energy: 2.1363200995791547
Energy: 2.12974126808666
Energy: 2.38554792533924
Energy: 2.129741267656016
Energy: 2.187785012736093
Energy: 2.0663125415454577
Energy: 2.3171592142911708
Energy: 2.0663130101116955
Energy: 2.3447751870064972
Energy: 2.449018179678214
Energy: 2.6091398467351383
Energy: 2.4489893644638134
Energy: 2.5082497587063415
Energy: 2.080244185096769
Energy: 2.488372043612219
Energy: 2.0871079283201968
Energy: 2.487777978711062
Energy: 2.0337440914262763
Energy: 2.2955694457624216
Energy: 2.02165851486242
Energy: 2.3367497489100146
Energy: 2.1608173873677776
Energy: 2.020157650892355
Energy: 2.1673221213966456
Energy: 2.5693701849645856
Energy: 2.025513681757045
Energy: 1.9246500949444683
Energy: 2.0255138008540374
Energy: 2.5495138084084084
Energy: 2.06061718554975
Energy: 1.9857212505783606
Energy: 2.0653494378713884
Energy: 2.6205469760603526
Energy: 2.0793387425280607
Energy: 1.9622039607918929
Energy: 2.0793387310735385
Energy: 2.603745085561131
Energy: 2.139760479083435
Energy: 2.242284722076893
Energy: 2.1389477540991284
Energy: 2.4825975274552468
Energy: 2.0746601998737226
Energy: 2.3308118698204487
Energy: 2.074623315500694
Energy: 2.536114096364616
Energy: 2.1818775925794003
Energy: 2.8619582405263566
Energy: 2.223936023077718
Energy: 2.290617556930694
Energy: 2.1121508099841466
Energy: 2.803846384509482
Energy: 2.1036663230891395
Energy: 2.2428913383442466
Energy: 2.0456414572567163
Energy: 2.2992968526510476
Energy: 2.041842881566715
Energy: 2.140249545288266
Energy: 2.1324532109221748
Energy: 2.1991012863258614
Energy: 2.132453222129588
Energy: 2.228308346617509
Energy: 2.1234538343217215
Energy: 2.137087280050713
Energy: 2.123453834337639
Energy: 2.307738659356481
Energy: 2.0330630704558237
Energy: 2.153930618223208
Energy: 2.0218967834304484
Energy: 2.470848727273325
Energy: 2.313279043183022
Energy: 2.29331357311567
Energy: 2.326076435470271
Energy: 2.5330104510198765
Energy: 2.3906301856705676
Energy: 2.5186695662582212
Energy: 2.3516773112516027
Energy: 2.3260211216827003
Energy: 2.061878571090041
Energy: 2.5577915924869603
Energy: 2.061878571452819
Energy: 2.1149735666598697
Energy: 2.177791240571204
Energy: 2.340164865646588
Energy: 2.1777912409901754
Energy: 1.9482864976777474
Energy: 2.038934667412829
Energy: 2.329590528021815
Energy: 2.038934714111405
Energy: 1.979587549072112
Energy: 2.0827287768835645
Energy: 2.5307832535345325
Energy: 2.0827287801685785
Energy: 1.9479250224683704
Energy: 2.027656589742382
Energy: 2.479378362558118
Energy: 2.038403801130557
Energy: 2.3221973358953343
Energy: 2.106983088978781
Energy: 2.6338308614785984
Energy: 2.1771424624965348
Energy: 2.28866677635441
Energy: 2.0741891365848013
Energy: 2.478218744591144
Energy: 2.0741394534747384
Energy: 2.827691032583453
Energy: 2.4707483682182647
Energy: 2.5423198800416165
Energy: 2.470748436980563

minimum gb energy = 1.9246500949444683 eV
minimum distance =  2.47934259139271 Angstroms
sigma value = 29


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

Energy: 2.444538003193378
Energy: 3.316164985129306
Energy: 3.1539165334658312
Energy: 1.9756373310913111
Energy: 2.306377731748207
Energy: 1.9261231407633916
Energy: 2.1335558080915065
Energy: 1.9261233627338248
Energy: 2.0899164900368414
Energy: 1.8374527365311997
Energy: 2.0753376310188925
Energy: 1.9428197545308852
Energy: 2.053303727556788
Energy: 1.8395697769353023
Energy: 1.67842983359245
Energy: 1.83957641838171
Energy: 2.07674858839127
Energy: 1.8428751631639329
Energy: 2.066950749156562
Energy: 1.8445366499743618
Energy: 2.08723708993618
Energy: 1.8753574578914174
Energy: 2.252906233684148
Energy: 1.875357373943648
Energy: 2.1467290282621714
Energy: 2.2021282589545286
Energy: 2.038916288060286
Energy: 1.9698974428363374
Energy: 2.2351490178793734
Energy: 1.9776524023965676
Energy: 2.2960026560664066
Energy: 1.951724759005587
Energy: 2.391298353990264
Energy: 1.9684803688288717
Energy: 2.289527256857539
Energy: 1.9682539025763444

minimum gb energy = 1.67842983359245 eV
minimum distance =  2.44470024866107 Angstroms
sigma value = 5


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

Energy: 2.9966583217672684
Energy: 3.23838957188127
Energy: 3.4442504147941873
Energy: 3.2334549682433513
Energy: 2.381664848315991
Energy: 2.156785595598578
Energy: 2.504054215607513
Energy: 2.0123641687917533
Energy: 2.1467294320581045
Energy: 2.058608464298157
Energy: 2.6192143192720545
Energy: 2.050403435043316
Energy: 1.9418483138006961
Energy: 2.1027769333957957
Energy: 2.4689331115588544
Energy: 2.1026705357590814
Energy: 1.9578751290095335
Energy: 2.0600880933356174
Energy: 2.316678995301108
Energy: 2.0262201267422895
Energy: 1.9632461814385684
Energy: 2.071088230783509
Energy: 2.248945760965139
Energy: 2.071088230732432
Energy: 1.9766289748938388
Energy: 2.077835568054687
Energy: 2.334327640607346
Energy: 2.077835568021608
Energy: 2.1486993595582677
Energy: 1.9946450178365145
Energy: 2.320185480075388
Energy: 1.9946496961103528
Energy: 2.4956091483073193
Energy: 2.1019508848926356
Energy: 2.1884371261140334
Energy: 2.0933889365082203
Energy: 2.771861204196289
Energy: 2.4610272763623926
Energy: 3.131329342790081
Energy: 2.387395960630072
Energy: 2.3555985473853838
Energy: 2.0046406086639337
Energy: 2.2278737907060333
Energy: 2.0763442565475363
Energy: 2.4875885362617196
Energy: 2.1203597691819005
Energy: 2.7489814648756368
Energy: 2.1203597799660354
Energy: 2.2958992142105
Energy: 2.3635123934486058
Energy: 2.7840879785196737
Energy: 2.3544665738559236
Energy: 2.0399496576077527
Energy: 2.285672945995415
Energy: 2.3019200520202316
Energy: 2.285672687983948
Energy: 2.3239521433288215
Energy: 2.0645755643250516
Energy: 2.035324429883831
Energy: 2.0646525294266107
Energy: 2.3235700099836927
Energy: 2.0167832998142954
Energy: 1.9485282599098765
Energy: 2.0167832998243194
Energy: 2.246449124399399
Energy: 2.177215502811823
Energy: 2.0783272919561835
Energy: 2.1772059655962117
Energy: 2.468868392045878
Energy: 2.050123820654729
Energy: 1.9285060267769538
Energy: 2.050123861167099
Energy: 2.6687173412445717
Energy: 2.21202092204091
Energy: 2.0159612344270137
Energy: 2.212020865057243
Energy: 2.409544497625822
Energy: 2.0768432537741965
Energy: 2.3028733874651315
Energy: 2.090788643770918
Energy: 2.683101362716408
Energy: 2.0137423853806036
Energy: 2.8328725100106995
Energy: 2.101679536403803
Energy: 2.944832559958965
Energy: 2.7545595716440303
Energy: 2.866206576257066
Energy: 2.7568899287185857
Energy: 2.3686645443766743
Energy: 2.0955415808822546
Energy: 2.1993753693127314
Energy: 2.1521220339665805
Energy: 2.810053510574796
Energy: 2.160878155026431
Energy: 2.396869915055437
Energy: 2.1611330766812373
Energy: 2.755629087710175
Energy: 2.097744754423675
Energy: 2.049700986879977
Energy: 2.0977262097613645
Energy: 2.2461138808152104
Energy: 2.0301115018332383
Energy: 2.1236908033887025
Energy: 2.025568991393696
Energy: 2.09859664791317
Energy: 2.0125470007049877
Energy: 2.110056327222481
Energy: 2.0125470008672863
Energy: 2.0748565673894457
Energy: 2.009975470636459
Energy: 2.1465963008981723
Energy: 2.0099754582401337
Energy: 2.000787849883304
Energy: 2.313113041539204
Energy: 2.274132491476698
Energy: 2.3131130415371994
Energy: 2.026789833259848
Energy: 2.1827602259561667
Energy: 2.61457212560471
Energy: 2.182760166449575
Energy: 2.2291801359742607
Energy: 2.1730192815432883
Energy: 2.6071540785460754
Energy: 2.173019271928463
Energy: 2.295251211612695
Energy: 2.3136738038359987
Energy: 2.284119351007459
Energy: 2.313677910413748
Energy: 2.989731654945941
Energy: 2.7330493673654974
Energy: 2.7117002459588417
Energy: 2.7835919184523807

minimum gb energy = 1.9285060267769538 eV
minimum distance =  2.42190811795481 Angstroms
sigma value = 1


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

Energy: 3.051158504557791
Energy: 3.2448049572426014
Energy: 3.0235894568876547
Energy: 1.944556960840492
Energy: 2.2704034304423693
Energy: 1.936495522957293
Energy: 2.387794952081017
Energy: 1.9356693374649505
Energy: 1.9774320329636283
Energy: 1.91929852297401
Energy: 2.1498802639837153
Energy: 1.9285040706725487
Energy: 1.9106328114888336
Energy: 1.9412635642406844
Energy: 1.948711440046068
Energy: 1.9413056500357273
Energy: 1.9327842492293974
Energy: 2.105955427715716
Energy: 2.0897565264158033
Energy: 2.1059554277115584
Energy: 1.9467541311337457
Energy: 1.9387502217690433
Energy: 2.107240791069298
Energy: 1.934426076694439
Energy: 1.9293639368908693
Energy: 1.9461930154851501
Energy: 2.3900563913639696
Energy: 1.9455789049436505
Energy: 2.110334891483727
Energy: 1.9026443284906336
Energy: 2.1622344717750206
Energy: 1.9111053872084462
Energy: 2.3209426672700295
Energy: 1.9316315562989177
Energy: 1.9787735634547718
Energy: 1.9321750026285194
Energy: 2.373355601855871
Energy: 2.5641304495002792
Energy: 2.361110935463777
Energy: 2.4284201144381137
Energy: 2.057388395851893
Energy: 1.9539055467409576
Energy: 2.146125520315088
Energy: 1.9539054970307512
Energy: 3.1743149229011753
Energy: 1.9182468328087627
Energy: 2.7243059489844583
Energy: 1.9558794353101046
Energy: 2.9692220006628
Energy: 2.3379459515975802
Energy: 2.7732070756612752
Energy: 2.333664455631541
Energy: 2.038751412854496
Energy: 2.27657417017902
Energy: 2.1955828246042164
Energy: 2.2765795711760477
Energy: 1.9400261462855302
Energy: 1.9594193955835415
Energy: 1.9744944022836761
Energy: 1.9594193989929645
Energy: 1.9446816220627625
Energy: 1.9254118414189765
Energy: 1.910631843770353
Energy: 1.925411833024947
Energy: 2.1339494114645907
Energy: 1.9291840477854865
Energy: 1.9930323191774237
Energy: 1.908151816492179
Energy: 2.1377123966748255
Energy: 1.9499348581052125
Energy: 1.9078467324801192
Energy: 1.9499348580719484
Energy: 2.3914129580972303
Energy: 1.945338079132166
Energy: 1.9594834153837366
Energy: 1.9448202840124516
Energy: 2.1119626194951637
Energy: 2.264069744250117
Energy: 2.146146228680044
Energy: 2.2640697455440386
Energy: 2.3354323647213326
Energy: 1.915531488684357
Energy: 2.344259537131139
Energy: 1.9212878612463888
Energy: 2.458200082562023
Energy: 2.40790463811836
Energy: 2.352399883470943
Energy: 2.4080007770607494
Energy: 2.0958545100969728
Energy: 2.0003551511839044
Energy: 2.2334486387406582
Energy: 2.0243557509423864
Energy: 2.7797796923445537
Energy: 2.366765313798073
Energy: 2.3766734819043496
Energy: 2.3522319284248043

minimum gb energy = 1.9026443284906336 eV
minimum distance =  2.44329060898986 Angstroms
sigma value = 17


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

Energy: 3.265055377357767
Energy: 3.2005321992829114
Energy: 3.712415290657148
Energy: 3.12135923687863
Energy: 2.441136774246018
Energy: 1.9980104875998506
Energy: 2.275235096110612
Energy: 1.9813340678018585
Energy: 2.136265237924967
Energy: 2.047052633482177
Energy: 2.5606750926009356
Energy: 2.047547030949049
Energy: 1.9648388343073495
Energy: 2.078210487070453
Energy: 2.6206300405735194
Energy: 2.0786757397962186
Energy: 2.0020960744983913
Energy: 2.133719358579436
Energy: 2.2237241924147018
Energy: 2.1390791871661117
Energy: 2.0878465258738332
Energy: 1.9808615344347802
Energy: 2.1138382680411563
Energy: 1.9808614809047866
Energy: 2.053159183830149
Energy: 1.984244869055238
Energy: 2.0644342830225275
Energy: 1.9842448694217307
Energy: 2.116046701266707
Energy: 1.9956470247093085
Energy: 2.0792956270115974
Energy: 1.9947395608302867
Energy: 2.3040273269233906
Energy: 2.0589856834828706
Energy: 1.9493968338700742
Energy: 2.0585807843354593
Energy: 2.478605769137556
Energy: 2.252583511349848
Energy: 2.0159820980954466
Energy: 2.252583577159766
Energy: 2.2544206966721667
Energy: 2.097271646102008
Energy: 2.2686532515791713
Energy: 2.0972369474516768
Energy: 2.561944032250294
Energy: 1.976568617438492
Energy: 2.3039747091503595
Energy: 2.0332894542954234
Energy: 2.912425166466262
Energy: 2.509617808900756
Energy: 2.94615809698857
Energy: 2.5144901415982384
Energy: 2.1927479258323506
Energy: 2.4272585730462786
Energy: 2.419072854754607
Energy: 2.4272586278205255
Energy: 2.580629445393894
Energy: 2.265303950380002
Energy: 2.236104914063324
Energy: 2.265248362769811
Energy: 2.917309657567164
Energy: 2.0740411048494214
Energy: 2.130838176787919
Energy: 2.0768754097767923
Energy: 2.2292041068968897
Energy: 1.9986216841342381
Energy: 2.2029862245995355
Energy: 1.9857256215621166
Energy: 2.012089069787812
Energy: 2.078659392443231
Energy: 2.2284362004088503
Energy: 2.0786593924363777
Energy: 1.962619553542806
Energy: 1.9829923402898475
Energy: 2.1754344385509006
Energy: 1.9829925214348891
Energy: 2.115437097344305
Energy: 2.2323761903536323
Energy: 2.2088487863745474
Energy: 2.2323760960888093
Energy: 1.918052063537761
Energy: 2.0071032418683523
Energy: 2.4480044944109403
Energy: 2.007103767557157
Energy: 2.000450774603669
Energy: 2.0580404795888083
Energy: 2.4515209856680644
Energy: 2.058040108368635
Energy: 2.31146923324412
Energy: 2.4863158055330974
Energy: 2.081280331794378
Energy: 2.4863158056186845
Energy: 2.752579168442777
Energy: 2.5110566144411877
Energy: 2.402146792003448
Energy: 2.5036032436291698
Energy: 2.3365471674017155
Energy: 1.9841480423939344
Energy: 2.535226513235785
Energy: 1.9870736492150152
Energy: 2.304071526563365
Energy: 2.011203237997435
Energy: 2.5032520170742845
Energy: 2.036611612372179
Energy: 3.049801070408894
Energy: 2.5463697396598253
Energy: 2.9774972675980287
Energy: 2.528153280637402
Energy: 2.384767006787545
Energy: 1.9958337366031638
Energy: 2.343445855275352
Energy: 1.9915114448838045
Energy: 2.3144458037101976
Energy: 2.042695396688497
Energy: 2.1544084553698086
Energy: 2.012339102834365
Energy: 2.4096730571488734
Energy: 2.022033955393333
Energy: 1.9253776811138696
Energy: 2.022023008861245
Energy: 2.271337831914601
Energy: 2.113114826719721
Energy: 1.9345314674227614
Energy: 2.1131148670331537
Energy: 2.1527953228087737
Energy: 1.9889863927170666
Energy: 1.9722079160069665
Energy: 1.990412314525895
Energy: 2.314841542945544
Energy: 1.9884170524257951
Energy: 1.9613343373121264
Energy: 1.9884146883645348
Energy: 2.2137522889324615
Energy: 1.983955625390597
Energy: 2.1454232788232597
Energy: 1.983673139606202
Energy: 2.0010577458333487
Energy: 2.058787652767259
Energy: 2.2633167090915025
Energy: 2.058740461773428
Energy: 2.4192597758150978
Energy: 2.6653882755661984
Energy: 2.891553789071447
Energy: 2.6653882739050645
Energy: 2.2607057917143614
Energy: 2.0568567542073324
Energy: 2.260023633646766
Energy: 2.0369496990921987
Energy: 2.384065148450945
Energy: 1.9704380320615338
Energy: 3.003139002116342
Energy: 1.9865159764960645

minimum gb energy = 1.918052063537761 eV
minimum distance =  2.39555755424996 Angstroms
sigma value = 89


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

Energy: 3.4379944008844263
Energy: 3.074974734319196
Energy: 2.9297746592310343
Energy: 2.341317354049149
Energy: 2.429395506166163
Energy: 1.9599264275486996
Energy: 2.40637373485595
Energy: 2.034733733966955
Energy: 1.997618124501167
Energy: 2.017729395873723
Energy: 2.099587863953872
Energy: 2.01775156580167
Energy: 1.9179271161058835
Energy: 2.0057891748425654
Energy: 2.155838420265145
Energy: 2.0057891865041304
Energy: 1.9532236693220704
Energy: 1.9973194315348317
Energy: 2.0316910244923108
Energy: 1.9917350674892842
Energy: 1.976105430478505
Energy: 1.9133961287568786
Energy: 1.9844450500166615
Energy: 1.9133963018971794
Energy: 1.9738130200869688
Energy: 1.8850576846475953
Energy: 2.0112242473701287
Energy: 1.8850576853286913
Energy: 1.9958303454198796
Energy: 1.878287037082129
Energy: 2.007629721117463
Energy: 1.8782862479145177
Energy: 2.059040599246316
Energy: 1.9877301318714338
Energy: 1.9143996593190378
Energy: 1.9738412824261544
Energy: 2.5980086127613795
Energy: 2.007178443684768
Energy: 1.9510613702162385
Energy: 1.983099435622848
Energy: 2.02387457373633
Energy: 2.0117305201829465
Energy: 1.9900911275395043
Energy: 2.011425792774994
Energy: 2.414576470740617
Energy: 1.9676722291724649
Energy: 2.0171548046762835
Energy: 1.9803495814746601
Energy: 2.4499383521837634
Energy: 1.9990695947004566
Energy: 2.52763061840761
Energy: 1.9992651883903243
Energy: 2.097192376805948
Energy: 1.9946133960113062
Energy: 2.040633078412992
Energy: 2.1286705789140816
Energy: 2.905876639303652
Energy: 1.9619944284845383
Energy: 2.937973422022649
Energy: 1.9923091934441266

minimum gb energy = 1.8782862479145177 eV
minimum distance =  2.42540112386554 Angstroms
sigma value = 13


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

Energy: 2.638464969210564
Energy: 2.742776384257536
Energy: 2.7241267411623658
Energy: 2.3641686033326046
Energy: 2.4012186576063943
Energy: 2.121851466783074
Energy: 2.0846605560537323
Energy: 2.166215013880915
Energy: 2.1473736945211854
Energy: 2.110695248992336
Energy: 2.1383662614531973
Energy: 2.1104013639402712
Energy: 1.9873376721945557
Energy: 2.2712128102264275
Energy: 2.526492135001779
Energy: 2.271212810228306
Energy: 2.039755433296833
Energy: 2.1661267079832847
Energy: 2.2086281096025044
Energy: 2.175413333006557
Energy: 2.127933874920348
Energy: 1.9101420733351366
Energy: 1.9718823102568999
Energy: 1.9101420741173778
Energy: 2.145875261160575
Energy: 1.891116995889598
Energy: 1.96564604322619
Energy: 1.8911169947852446
Energy: 2.0906742442070976
Energy: 1.9354251956654667
Energy: 2.0244186399539355
Energy: 1.9176737000084785
Energy: 2.140619014312816
Energy: 1.938990684914433
Energy: 1.9344010553665072
Energy: 1.9389906836823962
Energy: 2.2081703586897268
Energy: 1.9581114866168836
Energy: 1.9362596824915306
Energy: 1.9581114866056097
Energy: 2.145963583206207
Energy: 2.0407975169998847
Energy: 2.072789549342225
Energy: 2.038157284628215
Energy: 2.005403962178554
Energy: 2.0899257927916732
Energy: 2.4105937544184903
Energy: 2.0899257939899316
Energy: 2.0589642651471025
Energy: 2.0652851866882056
Energy: 2.7558656509292674
Energy: 2.080625489045761
Energy: 2.3635981778670407
Energy: 2.109985834260697
Energy: 2.074145893821979
Energy: 2.2144432304884183
Energy: 2.8092045570331012
Energy: 1.9456997626131445
Energy: 2.502043197587027
Energy: 1.957623689704957
Energy: 2.7885415418166
Energy: 1.980479147046481
Energy: 2.5061832780030437
Energy: 1.9707762123993866
Energy: 2.268102298896239
Energy: 2.6498276334416846
Energy: 2.152933222030373
Energy: 2.649827638016801
Energy: 2.090781029587127
Energy: 2.1726685533049674
Energy: 2.364413076189164
Energy: 2.1726685676640796
Energy: 2.114501554390631
Energy: 2.184763257900917
Energy: 2.085317091036221
Energy: 2.184763257866199
Energy: 2.2986421459658017
Energy: 1.981306119904863
Energy: 2.0166597996380253
Energy: 1.9813061216233339
Energy: 2.875269691237524
Energy: 2.176375932468043
Energy: 2.278917007460578
Energy: 2.17623360643273
Energy: 2.2728999557469987
Energy: 1.934556255680232
Energy: 1.9036506029486777
Energy: 1.9345562845412565
Energy: 2.0440496632879914
Energy: 1.8815307339809744
Energy: 2.1471791727824003
Energy: 1.876572683269341
Energy: 1.9265170065448616
Energy: 1.8661091248904371
Energy: 2.033673374802312
Energy: 1.8661091238170866
Energy: 1.9881635806116364
Energy: 1.9027179456621852
Energy: 2.0955274052409996
Energy: 1.8665094743383035
Energy: 1.951522778208817
Energy: 1.9244475837864312
Energy: 2.099913562700939
Energy: 1.9244510729212343
Energy: 1.934512632973041
Energy: 1.9281992456390793
Energy: 2.407964702301649
Energy: 1.9281992456738402
Energy: 2.07610619384213
Energy: 1.9222900218123025
Energy: 2.131627711380589
Energy: 1.933060466686121
Energy: 2.396064330925686
Energy: 2.1050799041625328
Energy: 1.9974430152911657
Energy: 2.1092463237213166
Energy: 2.2609907862978513
Energy: 2.0825391409186382
Energy: 2.0733217700071456
Energy: 2.09155354836894
Energy: 2.1208682910423176
Energy: 2.1336490635832988
Energy: 2.3724511690896573
Energy: 2.1406039360393367
Energy: 2.4406437529319365
Energy: 2.0644359809437107
Energy: 2.2804999147331144
Energy: 2.074007856152975
Energy: 2.4565189105800473
Energy: 2.1109129778449858
Energy: 2.8400297844984466
Energy: 2.0933950687410228
Energy: 2.3072632829997786
Energy: 2.310054014319088
Energy: 2.2978508224033347
Energy: 2.301070402402647
Energy: 2.903930170001338
Energy: 2.125138680233614
Energy: 2.685931674900514
Energy: 2.1280934896361257

minimum gb energy = 1.8661091238170866 eV
minimum distance =  2.3768835207741 Angstroms
sigma value = 37


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

Energy: 2.8101031422179386
Energy: 2.875906383009071
Energy: 2.6784365015307214
Energy: 2.0517308595392394
Energy: 2.378561464605947
Energy: 2.0412884115806462
Energy: 1.9689443547237733
Energy: 2.0201680225721392
Energy: 2.095260838369802
Energy: 2.0257063218495115
Energy: 2.2947719823156936
Energy: 2.025509518274364
Energy: 1.9310221060775636
Energy: 2.041600914905335
Energy: 2.5093882383121433
Energy: 2.029160632423352
Energy: 1.9338229355664627
Energy: 2.0044880685877406
Energy: 1.8397587718040602
Energy: 1.884631222627203
Energy: 1.9577304042113923
Energy: 1.8065617966866538
Energy: 1.8651122496123167
Energy: 1.8064730700363427
Energy: 1.9795306125814118
Energy: 1.849334246847034
Energy: 1.817733941766125
Energy: 1.8493342468438014
Energy: 2.0152495045834495
Energy: 1.9372463709513428
Energy: 1.9466600696789829
Energy: 1.9290667862767736
Energy: 1.9218741808535913
Energy: 1.7216307680041458
Energy: 1.8786896043449932
Energy: 1.7216307779272642
Energy: 1.9243503551842145
Energy: 1.7248632226798537
Energy: 1.8769466592639308
Energy: 1.7248632226830867
Energy: 2.0342247718829594
Energy: 1.9174350852639834
Energy: 1.983138767548499
Energy: 1.9158870013777485
Energy: 1.8034238612198201
Energy: 1.8534309694700142
Energy: 2.171332308842747
Energy: 1.8534309694780957
Energy: 1.8424399921349615
Energy: 1.8141624176241928
Energy: 2.198919739018867
Energy: 1.8141628168900097
Energy: 2.07971410571213
Energy: 2.299573172958978
Energy: 2.0152119961948456
Energy: 2.299579940367873
Energy: 2.2016803614684046
Energy: 2.009733714523651
Energy: 1.9199990317383968
Energy: 2.009734720949592
Energy: 2.2167837808057556
Energy: 2.032574205108315
Energy: 1.9728413997927075
Energy: 2.0325742877584423
Energy: 2.32033820623452
Energy: 1.9623698616569762
Energy: 2.278396262521508
Energy: 1.9823501304937199
Energy: 2.33719827645122
Energy: 2.35267146361268
Energy: 2.920233519320818
Energy: 2.352528313334467
Energy: 2.0718905362670093
Energy: 1.9886788955539592
Energy: 1.9448434507488042
Energy: 1.9899819977064561
Energy: 1.9488918980121617
Energy: 1.9873686028867332
Energy: 1.9527318133749387
Energy: 1.9964771115428321

minimum gb energy = 1.7216307680041458 eV
minimum distance =  2.42779328237358 Angstroms
sigma value = 25


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

Energy: 2.605873503271091
Energy: 2.55441012473494
Energy: 2.4605813569020962
Energy: 1.9857330599515512
Energy: 2.311561686758851
Energy: 1.776357296534397
Energy: 2.0052053915863763
Energy: 1.7735070343639925
Energy: 1.9920872683947275
Energy: 1.9843102135701312
Energy: 1.9481787160077202
Energy: 1.984304260653248
Energy: 1.8691756907341013
Energy: 1.9530818738064104
Energy: 2.196879436034895
Energy: 1.9533913982067874
Energy: 1.8009473074684879
Energy: 1.9445943348122894
Energy: 1.9017574773781156
Energy: 1.840676278101172
Energy: 2.1125210022085334
Energy: 1.7939913576946143
Energy: 1.822215055085545
Energy: 1.7940298460333994
Energy: 2.160550754594098
Energy: 1.7902802756962577
Energy: 1.746559009180396
Energy: 1.7902801816791747
Energy: 1.8961906036721559
Energy: 2.3107495264759446
Energy: 2.0134058475695173
Energy: 2.31074952683927
Energy: 1.7358825324219642
Energy: 1.6443103110872919
Energy: 2.0153413848004553
Energy: 1.6460145090146219
Energy: 1.7342996316160781
Energy: 1.6718536471767849
Energy: 2.0366972245421877
Energy: 1.6718536472083383
Energy: 1.9207113219758323
Energy: 2.220290403947388
Energy: 1.9314327720179338
Energy: 2.220290403959952
Energy: 1.8677069772934949
Energy: 1.6019857254741519
Energy: 1.8180886277208244
Energy: 1.6019857256318624
Energy: 1.8225780333802328
Energy: 1.6093399581446768
Energy: 1.8246299846523029
Energy: 1.6093399581535117
Energy: 1.9767719477341752
Energy: 1.7819857866315318
Energy: 1.9028578105438665
Energy: 1.724728307493254
Energy: 2.029110670713102
Energy: 1.6509586353528802
Energy: 1.741225932384535
Energy: 1.6509585761555157
Energy: 2.0105955148765955
Energy: 1.6596241188754672
Energy: 1.7693216997947239
Energy: 1.6596241196942554
Energy: 1.8015801578360644
Energy: 2.292383976228894
Energy: 2.1553270294324673
Energy: 2.2923839727557564
Energy: 1.7534274706002249
Energy: 1.8047997149644492
Energy: 2.0751006235228098
Energy: 1.8047996986268973
Energy: 1.9201652108483036
Energy: 1.8111414872055212
Energy: 2.2512887656246954
Energy: 1.8111308935651644
Energy: 2.0119828794759913
Energy: 1.8344451515327558
Energy: 1.9034929017183306
Energy: 1.7717835960249346
Energy: 2.461357599747854
Energy: 2.119195207162775
Energy: 1.871990379163499
Energy: 2.119195207165299
Energy: 2.147283095241249
Energy: 2.0122505949604674
Energy: 2.0063276247096797
Energy: 1.9853780552435176
Energy: 1.9550242188407017
Energy: 1.976401745063383
Energy: 1.7893774882321933
Energy: 1.976402546877507
Energy: 1.9045642131588725
Energy: 1.9306391632242927
Energy: 2.4043712267986526
Energy: 1.9479383978766183
Energy: 2.1133958656995713
Energy: 1.8334288676723287
Energy: 1.9127200967281723
Energy: 1.8644499135752568
Energy: 2.5143107921466137
Energy: 1.9523364668624221
Energy: 1.95223096737601
Energy: 1.9699550507229326

minimum gb energy = 1.6019857254741519 eV
minimum distance =  2.41043219612043 Angstroms
sigma value = 41


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

Energy: 2.695189690477387
Energy: 2.100882773694466
Energy: 2.2677639384105546
Energy: 1.9846589359126454
Energy: 2.693583702513434
Energy: 1.7450068762492599
Energy: 1.870710224798408
Energy: 1.7320261659238505
Energy: 1.88126474132708
Energy: 1.9552764561741396
Energy: 2.3551957777260126
Energy: 1.894750460704229
Energy: 1.7943235122679977
Energy: 1.914913311486635
Energy: 2.2821810591548974
Energy: 1.914966920058815
Energy: 1.8167616837304417
Energy: 1.7352001752625315
Energy: 1.9345208323018461
Energy: 1.8306557406720003
Energy: 2.2111250546548393
Energy: 1.7511428894292218
Energy: 1.7406657922674105
Energy: 1.7511856827693306
Energy: 2.2490195253417697
Energy: 1.7334877445698775
Energy: 1.6750973429837988
Energy: 1.7327899204052606
Energy: 1.7558750877331093
Energy: 2.2045828914866696
Energy: 1.9789777356765859
Energy: 2.240906151468954
Energy: 1.6770631537580432
Energy: 1.613047838623454
Energy: 2.01342417601536
Energy: 1.6130481649459023
Energy: 1.708655491138343
Energy: 1.6035596863861283
Energy: 2.009287332268808
Energy: 1.6035598964840865
Energy: 1.9618195968633068
Energy: 1.7603188221941408
Energy: 1.8375220797746294
Energy: 1.7852776391951826
Energy: 1.952139818390224
Energy: 1.5242433065906746
Energy: 1.6787699865057137
Energy: 1.5242433059576885
Energy: 1.8909285714621826
Energy: 1.5358445393423599
Energy: 1.6894670241554468
Energy: 1.5358488167500053
Energy: 1.8212247566566955
Energy: 1.5079778975053033
Energy: 1.780184711706177
Energy: 1.5244918687525206
Energy: 1.7966165502969291
Energy: 1.4949161984574526
Energy: 1.8019351469627836
Energy: 1.4949161860717988
Energy: 1.7596700232792744
Energy: 1.5112341743256918
Energy: 1.7614463477074103
Energy: 1.5112341501015325
Energy: 1.6998682147070105
Energy: 1.5417288387774217
Energy: 1.8965205032860557
Energy: 1.532029165823985
Energy: 1.6944264601824937
Energy: 1.5231651444291752
Energy: 1.949356327715025
Energy: 1.5231651444446965
Energy: 1.7281283222789419
Energy: 1.5374266827323362
Energy: 1.9429712569780053
Energy: 1.5374321623139493
Energy: 2.043143861516611
Energy: 1.5950106159522683
Energy: 1.664240320075488
Energy: 1.594105797783104
Energy: 2.188584556144423
Energy: 1.5938784959679135
Energy: 1.638122053536342
Energy: 1.5938784930139784
Energy: 2.0582115641772414
Energy: 1.630685603180995
Energy: 1.7199194681183696
Energy: 1.6318336849564243
Energy: 1.7099641732962403
Energy: 1.7502107307707646
Energy: 2.3043741575952073
Energy: 1.7502107305762782
Energy: 1.6901420301278458
Energy: 1.766589528758772
Energy: 2.176452398667415
Energy: 1.7665895286832352
Energy: 1.796503122301122
Energy: 1.7879891961450658
Energy: 1.7936329440497507
Energy: 1.7427107339643928
Energy: 2.3375381622685856
Energy: 1.9108124499573576
Energy: 1.7924906351513052
Energy: 1.9050613011589543
Energy: 2.4223953307199704
Energy: 1.9118698342925569
Energy: 1.823240444858255
Energy: 1.9126205751340024
Energy: 1.871364724995569
Energy: 2.4757801101485284
Energy: 1.9921229339795261
Energy: 1.7659252793036906
Energy: 1.8110391967354857
Energy: 1.9285349584305973
Energy: 2.4825275424243087
Energy: 1.9101305279806808
Energy: 1.8611092895905865
Energy: 1.888710353420728
Energy: 2.528588879528913
Energy: 1.8887118458627572
Energy: 2.0576110103750858
Energy: 1.8392027130378361
Energy: 2.003618688627015
Energy: 1.8219239331983497
Energy: 2.5870724261878735
Energy: 1.901884999421045
Energy: 2.099338037256856
Energy: 1.908747228824518

minimum gb energy = 1.4949161860717988 eV
minimum distance =  2.43319578867336 Angstroms
sigma value = 15


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

Energy: 2.345698521612914
Energy: 1.9989365018260574
Energy: 2.1286664774541957
Energy: 1.9406748801328693
Energy: 1.8560722835678034
Energy: 1.6866968514990623
Energy: 1.79205579473164
Energy: 1.7034269834244342
Energy: 1.8519265172440484
Energy: 1.8926813032295111
Energy: 1.9416172187735519
Energy: 1.8548142154169391
Energy: 1.7082856006862923
Energy: 1.829584294125846
Energy: 2.3404788278804425
Energy: 1.829568376056287
Energy: 1.78753427091832
Energy: 1.7120785991301615
Energy: 1.8122896833381237
Energy: 1.6962632281370882
Energy: 2.304810969911153
Energy: 1.6974151228097814
Energy: 1.6610964893436984
Energy: 1.7005384409404671
Energy: 2.088001095893499
Energy: 1.682545293305534
Energy: 1.6050416586965477
Energy: 1.6827623502228772
Energy: 1.8020933912808932
Energy: 2.2842537591384313
Energy: 1.7641179265750755
Energy: 2.2892268215474587
Energy: 1.5951413980417253
Energy: 1.5581365137475975
Energy: 2.0594706858981824
Energy: 1.5581370182997478
Energy: 1.5766017733458777
Energy: 1.565850313832976
Energy: 2.05055396902014
Energy: 1.565850330293962
Energy: 1.9903524272606004
Energy: 1.771575246980802
Energy: 1.7462967607035416
Energy: 1.5001368596615088
Energy: 1.912337784650415
Energy: 1.4767379616029217
Energy: 1.576383011219247
Energy: 1.4767379609238909
Energy: 1.9467671757511285
Energy: 1.4692445483744483
Energy: 1.576695206970084
Energy: 1.4692444992753433
Energy: 1.709798394406284
Energy: 1.4562983211329903
Energy: 1.8750371884690564
Energy: 1.4442492852730717
Energy: 1.6362849991950499
Energy: 1.4089056786057177
Energy: 1.8714714149199818
Energy: 1.408905358878249
Energy: 1.6279127529918411
Energy: 1.4338136742764307
Energy: 1.815547844400087
Energy: 1.4338138410392518
Energy: 1.7144602123488102
Energy: 1.4100694567490322
Energy: 1.754204399708481
Energy: 1.419296867606217
Energy: 1.742876934886105
Energy: 1.4000810722224284
Energy: 1.7630335894335116
Energy: 1.400081072208403
Energy: 1.759896742803195
Energy: 1.4201278876789174
Energy: 1.7158663583617895
Energy: 1.4201340752296268
Energy: 1.8126441395405313
Energy: 1.4372411659870272
Energy: 1.6353659947499035
Energy: 1.4304562963105776
Energy: 1.9984507456296734
Energy: 1.415976620221393
Energy: 1.6364551924312234
Energy: 1.41597662101175
Energy: 1.8390310415985098
Energy: 1.4690876732897502
Energy: 1.7067962102101608
Energy: 1.42107288950217
Energy: 1.5932939678398104
Energy: 1.473036875037165
Energy: 1.9885860657163377
Energy: 1.473045057718423
Energy: 1.5872014987054743
Energy: 1.4648421185050204
Energy: 2.0312927564802328
Energy: 1.4648421318617162
Energy: 1.7037331701502967
Energy: 1.5251277795237879
Energy: 1.9537814191561282
Energy: 1.5072126634344705
Energy: 2.154498826928219
Energy: 1.5521777683986284
Energy: 1.5654729456628085
Energy: 1.5519086340204222
Energy: 1.990599906103803
Energy: 1.546885437216903
Energy: 1.5799231949697745
Energy: 1.5468858556192824
Energy: 2.059809159820794
Energy: 1.8760733860810737
Energy: 1.7487779115682303
Energy: 1.8785322287106117
Energy: 1.6056260822803163
Energy: 1.6793312644596594
Energy: 2.2308083416777738
Energy: 1.6872005532970766
Energy: 1.6649373215814638
Energy: 1.6942997433788418
Energy: 2.157621929407039
Energy: 1.6939133330143616
Energy: 1.7901898515338102
Energy: 1.7011663983664902
Energy: 1.784581489944738
Energy: 2.3436540019530128
Energy: 2.2055193437229503
Energy: 1.8184858331293245
Energy: 1.6970186040252775
Energy: 1.8184882148564867
Energy: 2.353241119099943
Energy: 1.8547336300086188
Energy: 1.820551825865038
Energy: 1.8472012922201981
Energy: 1.814887911260384
Energy: 1.6762584876398519
Energy: 1.94400763015902
Energy: 1.7240405338595626
Energy: 1.9175859810108546
Energy: 1.8066579710170636
Energy: 2.484396303220968
Energy: 1.774431269744928
Energy: 1.8634993424641282
Energy: 1.777245627473257
Energy: 2.547292120639207
Energy: 1.7920259313802305
Energy: 2.334627785957902
Energy: 1.8507425004776616
Energy: 1.8275170403283134
Energy: 1.853003327615018

minimum gb energy = 1.400081072208403 eV
minimum distance =  2.42744612387447 Angstroms
sigma value = 85


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

Energy: 2.351638398040696
Energy: 1.8097472703547315
Energy: 1.9382181159226919
Energy: 1.6624749827440122
Energy: 1.6182375744942834
Energy: 1.540817893144644
Energy: 1.6310418000970144
Energy: 1.5482528936129647
Energy: 1.6595366510678744
Energy: 1.5400987903114882
Energy: 2.1826488367038435
Energy: 1.5346766595030397
Energy: 1.5717072113464652
Energy: 1.7697621597371256
Energy: 2.1133436071005205
Energy: 1.7697621877250882
Energy: 1.599199879733155
Energy: 1.4941616158768132
Energy: 1.6647362689368124
Energy: 1.599582389176035
Energy: 2.025662099001672
Energy: 1.577494018001724
Energy: 1.571418449471951
Energy: 1.5777550524554027
Energy: 2.11953249914614
Energy: 1.5567600592133795
Energy: 1.4916098124646953
Energy: 1.5630193488368314
Energy: 1.5182506477822404
Energy: 2.2575666227456352
Energy: 1.5184567809018534
Energy: 1.8859550080161613
Energy: 1.4809244579843177
Energy: 1.4412384561795604
Energy: 2.071514034290022
Energy: 1.4426390001913558
Energy: 1.46405651957854
Energy: 1.4596641028694133
Energy: 2.0640085804312602
Energy: 1.459694550308926
Energy: 1.9231893620612526
Energy: 1.3775058347248201
Energy: 1.5889101950995201
Energy: 1.3946108841352274
Energy: 1.9496630360633171
Energy: 1.3820305098760228
Energy: 1.4840574798404766
Energy: 1.3820359700961675
Energy: 1.948975619772044
Energy: 1.4122839493014754
Energy: 1.4907642124383855
Energy: 1.412283761508732
Energy: 1.5937672231865339
Energy: 1.3284378487127662
Energy: 1.8148523519517537
Energy: 1.332464484539416
Energy: 1.5055654370130571
Energy: 1.3282070396759185
Energy: 1.833366708420278
Energy: 1.3283128080489273
Energy: 1.5201888956751248
Energy: 1.3314771327762223
Energy: 1.8193390906643503
Energy: 1.33517613829143
Energy: 1.7233720417392626
Energy: 1.310917662089686
Energy: 1.6099402299284629
Energy: 1.3111051781386769
Energy: 1.870814629123814
Energy: 1.3010098300829032
Energy: 1.5774500490652792
Energy: 1.29996719370059
Energy: 1.7335190791154755
Energy: 1.3131428266366467
Energy: 1.5768164915513168
Energy: 1.310443386657108
Energy: 1.6477544656801035
Energy: 1.2933802078006478
Energy: 1.6383880351880338
Energy: 1.2938449905273082
Energy: 1.6588890204210305
Energy: 1.286907098542576
Energy: 1.6576251988087867
Energy: 1.2869070901689705
Energy: 1.6469336652635715
Energy: 1.29337344527663
Energy: 1.6826719119679927
Energy: 1.3003280378551243
Energy: 1.562896305477496
Energy: 1.3361854194972804
Energy: 1.7234322450464987
Energy: 1.3186280673159587
Energy: 1.564871947460786
Energy: 1.3051596257923546
Energy: 1.7703502014982206
Energy: 1.3051594554269084
Energy: 1.6554137735516994
Energy: 1.3126893138498665
Energy: 1.8109933803969593
Energy: 1.3058906438701516
Energy: 1.8438656912563145
Energy: 1.3485523209458248
Energy: 1.5196905445772844
Energy: 1.3485523225857396
Energy: 1.8729246510257436
Energy: 1.3352567290130848
Energy: 1.5132088586980996
Energy: 1.3352569425702387
Energy: 1.6335273756361248
Energy: 2.024499271716202
Energy: 1.650252193330091
Energy: 2.113515442582619
Energy: 1.4788950511063697
Energy: 1.3725565643151332
Energy: 2.002549177433898
Energy: 1.3728585818118013
Energy: 1.5157256966363637
Energy: 1.3886046270712822
Energy: 2.035061716912622
Energy: 1.3875935234533068
Energy: 1.5472418487468658
Energy: 1.4555203819877536
Energy: 1.5002679534581849
Energy: 1.4679453388141104
Energy: 2.03878708394073
Energy: 1.458875236694771
Energy: 1.4643466554761406
Energy: 1.4588755078380808
Energy: 2.083314896090391
Energy: 1.436828156461934
Energy: 1.4826567032765396
Energy: 1.437106645872819
Energy: 1.5773095133917479
Energy: 1.561412204941423
Energy: 1.4907712507055273
Energy: 1.518142233010279
Energy: 1.4952187770761154
Energy: 1.5899404259292933
Energy: 2.194096975816028
Energy: 1.5899400990783608
Energy: 1.5299683344446706
Energy: 1.5374999520383017
Energy: 2.184979157254716
Energy: 1.5461403069749058
Energy: 1.6247622150430474
Energy: 1.5236903161681628
Energy: 1.5907711921344694
Energy: 1.5403036228529827
Energy: 2.1889405109314084
Energy: 1.6320025671299478
Energy: 1.5839516289162952
Energy: 1.6642733618670043
Energy: 1.563292760518499
Energy: 1.5330343841173975
Energy: 1.8039259578311846
Energy: 1.5237811308666331
Energy: 1.596632137664876
Energy: 1.5337734530123621
Energy: 2.1952883505763023
Energy: 1.5410600577585571
Energy: 1.6030570092340972
Energy: 1.6200206506447874
Energy: 2.126608224593292
Energy: 1.673231724504264
Energy: 1.656222657357265
Energy: 1.6327871199241726
Energy: 1.5688972621200301
Energy: 1.542566271333707
Energy: 2.2044000930093635
Energy: 1.6261275321899118
Energy: 1.63527038494162
Energy: 1.6150662711492094

minimum gb energy = 1.2869070901689705 eV
minimum distance =  2.43285874422301 Angstroms
sigma value = 113


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

Energy: 0.019781680198921008
Energy: 0.16260916020904884
Energy: 1.1779110064866143
Energy: 0.020891832523138188
Energy: 0.28612176903023206
Energy: 0.1670755669940125
Energy: 0.28526314767330574
Energy: 0.16718466549086713
Energy: 0.686974764289174
Energy: 0.16755655617558035
Energy: 0.02071132024377579
Energy: 0.16758430143395
Energy: 0.7011542522490437
Energy: 0.1640853195635985
Energy: 0.019985789970201843
Energy: 0.16408531441986907
Energy: 0.28617094385120323
Energy: 0.8458535687355376
Energy: 0.29683062523989356
Energy: 0.8571590305043415
Energy: 0.02009337014558893
Energy: 0.17555890186659517
Energy: 0.7121340769006476
Energy: 0.17555597745377227

minimum gb energy = 0.019781680198921008 eV
minimum distance =  2.69502923635144 Angstroms
sigma value = 1