Model name: model_name=SNAP_ZuoChenLi_2019_Mo__MO_014123846623_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=3.169258482754231
cohesive_energy=5.496712243166805
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=[-1.1677896984600179e-20, 2.5115080043930398e-20, 6.31654933601232e-20, 1.1418776957583359e-19, 1.81605119287266e-19, 2.5950454940898e-19, 3.40875896296572e-19, 4.2033264210653395e-19, 4.94428504899132e-19, 5.612889380125859e-19, 6.201561118990139e-19, 6.710043917322719e-19, 7.14253547790468e-19, 7.5057168772998e-19, 7.807278563351279e-19, 8.055071201565721e-19, 8.25652889152488e-19, 8.418348731558879e-19, 8.54639468814816e-19, 8.645585443559099e-19, 8.7194457863865e-19, 8.76892100084442e-19, 8.79702317900478e-19, 8.806011389921518e-19, 8.79646241718288e-19, 8.76554040814668e-19, 8.708935507667459e-19, 8.620735683965759e-19, 8.492898010338898e-19, 8.314495642142999e-19, 8.071076946139378e-19, 7.743752259813179e-19, 7.308681194850479e-19, 6.736527897082739e-19, 5.99241298118778e-19, 5.03633009661462e-19, 3.82365862410636e-19, 2.3061730469796e-19, 4.2700410561051e-20, -1.8834547638650397e-19, -4.72949724943728e-19, -8.30595604068378e-19, -1.297864010667942e-18, -1.93472441615304e-18, -2.82372416506062e-18, -4.05929074166874e-18, -5.745261213626939e-18, -8.06011805796282e-18, -1.1407737960575098e-17, -1.651844109654e-17, -2.58572082607992e-17, -4.5812318237269193e-17, -9.29267254249902e-17, -2.27662890984864e-16]
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: -5.3546056935499 eV

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

Energy: 0.013790351925832379
Energy: 0.014235677764497516
Energy: 4.676998679842288
Energy: 0.014235677764497516
Energy: 0.014235677764497516
Energy: 0.22577548373024303
Energy: 1.4894809602690418
Energy: 0.22577548372944964
Energy: 4.676998679842288
Energy: 1.4894809602690418
Energy: 1.555960146022752
Energy: 1.4894809602690418
Energy: 0.014235677764497516
Energy: 0.22577548373024303
Energy: 1.4894809602690418
Energy: 0.22577548372944964

minimum gb energy = 0.013790351925832379 eV
minimum distance =  2.69474946662459 Angstroms
sigma value = 1


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

Energy: 2.708646972283061
Energy: 1.8492186953985614
Energy: 1.6246844170944086
Energy: 1.8492186954015306
Energy: 2.794314589380009
Energy: 1.6182695636146698
Energy: 1.6172005331902224
Energy: 1.6182695636146698
Energy: 2.790377547229437
Energy: 1.6172772383633343
Energy: 1.617618199386438
Energy: 1.6172772383633343
Energy: 2.6145765866119577
Energy: 1.6188954811667415
Energy: 1.6190105088510536
Energy: 1.6188954811667415
Energy: 2.5003283157655805
Energy: 1.6188443477751582
Energy: 2.0914597179035184
Energy: 1.6188443477751582
Energy: 2.788552957254113
Energy: 1.7600429244523348
Energy: 1.8771706788166527
Energy: 1.7600429244523348
Energy: 2.5286490785603277
Energy: 1.760740097177508
Energy: 1.8622784760028985
Energy: 1.760740097177508
Energy: 2.335498707754981
Energy: 1.7670057699186028
Energy: 1.896765883587535
Energy: 1.7670057699176132
Energy: 2.124581169428826
Energy: 1.762809915368641
Energy: 2.3724803825020877
Energy: 1.762809915368641
Energy: 2.335848423338071
Energy: 1.7791620158852608
Energy: 2.3342670370652994
Energy: 1.7791620158852608
Energy: 2.3150385273521037
Energy: 1.769671701910337
Energy: 2.290305302328072
Energy: 1.769671701910337
Energy: 1.8763827826037438
Energy: 1.761861676733629
Energy: 2.336138318555626
Energy: 1.761861676733629
Energy: 1.8607997098285307
Energy: 1.789917737545333
Energy: 2.334821938005736
Energy: 1.789917737545333
Energy: 1.8765319793278357
Energy: 1.760304619250365
Energy: 2.788820142510869
Energy: 1.760304619250365
Energy: 1.8894687639746788
Energy: 1.6199129739771552
Energy: 2.4537407973295515
Energy: 1.6199129739771552
Energy: 1.6175544197921465
Energy: 1.6184771672602132
Energy: 2.768286619171821
Energy: 1.6184771672602132
Energy: 1.6202821511331098
Energy: 1.6182845458745017
Energy: 2.788003046079526
Energy: 1.6182845458745017
Energy: 1.6174779251122042
Energy: 1.6187837282024171
Energy: 2.7894032497094563
Energy: 1.6187837282024171
Energy: 1.6532560342386156
Energy: 1.6529727978896969
Energy: 2.6124564276314364
Energy: 1.6529727978896969
Energy: 1.6938354625376255
Energy: 1.6846423454822044
Energy: 2.613400562597561
Energy: 1.6846423454812147
Energy: 1.6951723905593123
Energy: 1.6844338861270345
Energy: 2.79457804517359
Energy: 1.6844338861270345
Energy: 1.6888269673754353
Energy: 1.6849898677094939
Energy: 2.617181520872435
Energy: 1.6849898677094939
Energy: 1.690866205466604
Energy: 1.6953482944752472
Energy: 2.5004037002517383
Energy: 1.6953482944752472
Energy: 2.097976575529459
Energy: 1.77856383715628
Energy: 2.6182461077811383
Energy: 1.77856383715628
Energy: 2.0994416861994107
Energy: 1.7786897945293128
Energy: 2.6142207436436555
Energy: 1.7786897945293128
Energy: 2.0960458464564398
Energy: 1.779238148270448
Energy: 2.1019477836705556
Energy: 1.779238148270448
Energy: 2.0976938243648227
Energy: 1.7790091874993366
Energy: 2.1278843356325785
Energy: 1.7790091874993366
Energy: 2.6116151369839335
Energy: 1.7785568682721375
Energy: 2.100722420829381
Energy: 1.7785568682721375
Energy: 2.4543383837549104
Energy: 1.6896442158902474
Energy: 2.097474753081265
Energy: 1.6896442158902474
Energy: 2.4665785786301764
Energy: 1.68590655641716
Energy: 1.6896893758696439
Energy: 1.68590655641716
Energy: 2.6152924339121837
Energy: 1.6970587771634136
Energy: 1.6906575728380615
Energy: 1.6970587771634136
Energy: 2.790150723676724
Energy: 1.6846717310370203
Energy: 1.6902295152406694
Energy: 1.6846717310360309
Energy: 2.766129693032534
Energy: 1.6199985806051471
Energy: 1.7089096736809444
Energy: 1.6199985806041572

minimum gb energy = 1.6172005331902224 eV
minimum distance =  2.5283839718371 Angstroms
sigma value = 1


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

Energy: 3.056569256608449
Energy: 1.8526429979919457
Energy: 1.6729565245902884
Energy: 1.8526429979919457
Energy: 2.633719156035788
Energy: 1.673899384883218
Energy: 1.6719047672323617
Energy: 1.673899384883218
Energy: 2.6617073013564676
Energy: 1.672475284647445
Energy: 1.6698073721249285
Energy: 1.672475284647445
Energy: 2.6624235268299192
Energy: 1.674314013671385
Energy: 1.6724632330341134
Energy: 1.674314013671385
Energy: 2.364658692024144
Energy: 1.6744410535321117
Energy: 1.8777603531785507
Energy: 1.6744410535321117
Energy: 2.662494722400969
Energy: 1.7719455369936634
Energy: 1.8852282788919317
Energy: 1.771945536992535
Energy: 2.6620164006781706
Energy: 1.7742446071980997
Energy: 1.8861555106161645
Energy: 1.7742446071980997
Energy: 2.366703308735416
Energy: 1.772969218471417
Energy: 1.8899044836109857
Energy: 1.7729692184702885
Energy: 2.3695265476628964
Energy: 1.7718181272664582
Energy: 2.188854647271461
Energy: 1.7718181272664582
Energy: 2.367046284111194
Energy: 1.827331421566097
Energy: 2.3673376746747805
Energy: 1.827331421566097
Energy: 2.1871975764586415
Energy: 1.8266894587757079
Energy: 2.091364822200807
Energy: 1.8266894587745794
Energy: 1.8848348069267664
Energy: 1.7727853690568514
Energy: 2.081019544864897
Energy: 1.7727853690568514
Energy: 1.8801089131948854
Energy: 1.7747885819467182
Energy: 2.3662340507473787
Energy: 1.77478858194559
Energy: 1.8856958415346528
Energy: 1.7722268268696044
Energy: 2.6626619161903697
Energy: 1.7722268268696044
Energy: 1.8777812614369267
Energy: 1.6746496170630074
Energy: 2.6332307351165105
Energy: 1.6746496170630074
Energy: 1.6745734502823781
Energy: 1.6740138691819115
Energy: 2.6335163497284664
Energy: 1.6740138691819115
Energy: 1.6709412287860363
Energy: 1.6727058829831405
Energy: 2.6624172023877137
Energy: 1.6727058829831405
Energy: 1.6720037434227109
Energy: 1.674613860436627
Energy: 2.662431141882333
Energy: 1.674613860436627
Energy: 1.6716337869631697
Energy: 1.6758265145187963
Energy: 2.3634602595514353
Energy: 1.6758265145187963
Energy: 1.8850883269494318
Energy: 1.7719709701533264
Energy: 2.66277354220706
Energy: 1.7719709701533264
Energy: 1.8843394059441676
Energy: 1.7741880210809495
Energy: 2.6620414584817587
Energy: 1.7741880210809495
Energy: 1.887428395226529
Energy: 1.7747255800512227
Energy: 2.365308514143957
Energy: 1.7747255800512227
Energy: 1.8854115096170856
Energy: 1.7718583816280429
Energy: 2.3681485148593113
Energy: 1.7718583816280429
Energy: 2.3708170619287308
Energy: 1.8293929192423681
Energy: 2.366630195662562
Energy: 1.8293929192423681
Energy: 2.0951908023720685
Energy: 1.8274434355208349
Energy: 2.3654472882351323
Energy: 1.8274434355208349
Energy: 2.0812838572798085
Energy: 1.7726456981667267
Energy: 1.8850904247165277
Energy: 1.7726456981667267
Energy: 2.365654147353332
Energy: 1.7742231066675285
Energy: 1.8794954785585503
Energy: 1.7742231066675285
Energy: 2.663572246791724
Energy: 1.7725178842672424
Energy: 1.8859983894650747
Energy: 1.7725178842672424
Energy: 2.6337778495953805
Energy: 1.6749343802502565
Energy: 1.8776929913241363
Energy: 1.6749343802502565

minimum gb energy = 1.6698073721249285 eV
minimum distance =  2.52951314302009 Angstroms
sigma value = 25


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

Energy: 2.9440452967076864
Energy: 1.9057649643589627
Energy: 1.7959265603112657
Energy: 1.9057649643589627
Energy: 2.5662645682577105
Energy: 1.7873950361011979
Energy: 1.7980763308141074
Energy: 1.7873950361011979
Energy: 2.599326598244104
Energy: 1.7845865483449788
Energy: 1.7803139896328068
Energy: 1.7845865483449788
Energy: 2.5945912411406633
Energy: 1.788032184332876
Energy: 1.7803647330702397
Energy: 1.788032184332876
Energy: 2.4459130299098346
Energy: 1.7871923239204266
Energy: 2.2343749930986507
Energy: 1.7871923239204266
Energy: 2.595006775405249
Energy: 1.8591003432561146
Energy: 2.166825137381514
Energy: 1.8591003432561146
Energy: 2.5948027263668787
Energy: 1.91929697005223
Energy: 2.1680503740547716
Energy: 1.91929697005223
Energy: 2.168940892000834
Energy: 1.9197498982165275
Energy: 2.1668399395941575
Energy: 1.9197498982165275
Energy: 2.164680435606858
Energy: 1.9201296177387916
Energy: 2.168671580607762
Energy: 1.9201296177387916
Energy: 2.16703682141537
Energy: 1.9225347869008298
Energy: 2.5950084327304404
Energy: 1.9225347869008298
Energy: 2.1602113932001377
Energy: 1.786868892721882
Energy: 2.6004780099345366
Energy: 1.786868892721882
Energy: 1.7812948766794452
Energy: 1.7873562605707025
Energy: 2.600173150734827
Energy: 1.7873562605707025
Energy: 1.7812686620632276
Energy: 1.7844423130083544
Energy: 2.5957150046461965
Energy: 1.7844423130083544
Energy: 1.7962097332139784
Energy: 1.7864921873662531
Energy: 2.59532546664826
Energy: 1.7864921873662531
Energy: 1.7822398989016326
Energy: 1.7854451447610435
Energy: 2.4441735544504146
Energy: 1.7854451447623552
Energy: 1.9297056375796395
Energy: 1.7886746951117376
Energy: 2.591264451850604
Energy: 1.7886746951117376
Energy: 1.9144505991357204
Energy: 1.8650469095253954
Energy: 2.594437517207647
Energy: 1.8650469095253954
Energy: 1.9181399337097655
Energy: 1.8638478263748623
Energy: 2.447619285020539
Energy: 1.8638478263748623
Energy: 1.9142008631284717
Energy: 1.8633056211766237
Energy: 2.1954472058327217
Energy: 1.8633056211766237
Energy: 2.4526134757377656
Energy: 1.8653808835761854
Energy: 2.4503737943540997
Energy: 1.8653808835761854
Energy: 2.2879924270984535
Energy: 1.8646972580882644
Energy: 2.4486583479424313
Energy: 1.8646972580882644
Energy: 2.2869718198021807
Energy: 1.86394505393396
Energy: 1.9134956908762644
Energy: 1.86394505393396
Energy: 2.4486714245890586
Energy: 1.8660118119060483
Energy: 1.8976327294551545
Energy: 1.8660118119060483
Energy: 2.594753053660366
Energy: 1.8635480836948495
Energy: 1.9141856958691934
Energy: 1.8635480836948495
Energy: 2.598358106140113
Energy: 1.8261021497130843
Energy: 1.9091925022216156
Energy: 1.8261021497130843

minimum gb energy = 1.7803139896328068 eV
minimum distance =  2.50842601545104 Angstroms
sigma value = 9


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

Energy: 2.6717112105504297
Energy: 1.9841231518409115
Energy: 1.8111900049813223
Energy: 1.9841231518409115
Energy: 2.4118929496561115
Energy: 1.8182006394116215
Energy: 1.8115774934057796
Energy: 1.8182006394116215
Energy: 2.472913435466678
Energy: 1.8193742435852598
Energy: 1.8094015644381547
Energy: 1.819374243583695
Energy: 2.4715464127922853
Energy: 1.8182847342161848
Energy: 1.8061348383841203
Energy: 1.8182847342161848
Energy: 2.125996381682226
Energy: 1.8183933547410072
Energy: 2.1131296824833954
Energy: 1.8183933547410072
Energy: 2.4716947640965206
Energy: 1.817353751002931
Energy: 2.1402802587854026
Energy: 1.817353751002931
Energy: 2.4730085585654873
Energy: 1.8947226798228995
Energy: 1.7934704959507095
Energy: 1.8947226798228995
Energy: 2.1410761993255
Energy: 1.8918895316343678
Energy: 2.1389018373344713
Energy: 1.8918895316343678
Energy: 2.139160283331158
Energy: 1.89410233520151
Energy: 2.4736630367109944
Energy: 1.89410233520151
Energy: 2.1401370423101724
Energy: 1.8958007514805595
Energy: 2.471382522621413
Energy: 1.8958007514805595
Energy: 2.113467141403731
Energy: 1.819332958816422
Energy: 2.412217722949145
Energy: 1.819332958816422
Energy: 1.810680702688369
Energy: 1.8184766163132775
Energy: 2.4115797109566195
Energy: 1.8184766163132775
Energy: 1.811386442926767
Energy: 1.8189029301257646
Energy: 2.4743586002552345
Energy: 1.8189029301257646
Energy: 1.807709063536593
Energy: 1.820134921664235
Energy: 2.471539495616824
Energy: 1.820134921664235
Energy: 1.8083867282072148
Energy: 1.8187045742844155
Energy: 2.1257296117325613
Energy: 1.8187045742844155
Energy: 2.139729910524438
Energy: 1.819047603156187
Energy: 2.4715650100447113
Energy: 1.819047603156187
Energy: 1.7933487884759118
Energy: 1.8947455718539257
Energy: 2.4731471540298173
Energy: 1.8947455718539257
Energy: 1.7932377341441663
Energy: 1.8945689806269188
Energy: 2.139638610342936
Energy: 1.8945689806269188
Energy: 2.1397235906021486
Energy: 1.8942841022180243
Energy: 2.140018329949594
Energy: 1.8942841022180243
Energy: 2.471266527315532
Energy: 1.8920873639880247
Energy: 2.1402206475300094
Energy: 1.8920873639880247
Energy: 2.4116661385190388
Energy: 1.8191003769062686
Energy: 2.115883350520038
Energy: 1.8191003769062686

minimum gb energy = 1.7932377341441663 eV
minimum distance =  2.51061886011513 Angstroms
sigma value = 25


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

Energy: 2.520039113672073
Energy: 2.0430347948539698
Energy: 2.022294312516394
Energy: 2.0430347948539698
Energy: 2.4315393936919483
Energy: 1.9798044853739236
Energy: 1.9935674033742843
Energy: 1.9798044853739236
Energy: 2.471850054099334
Energy: 1.9800773632721236
Energy: 1.9920552240283669
Energy: 1.9800773632721236
Energy: 2.462201792529976
Energy: 1.9844524760786741
Energy: 1.9933690336258414
Energy: 1.9844524760786741
Energy: 2.223763412369033
Energy: 1.9799103808336185
Energy: 2.3993136440995224
Energy: 1.9799103808336185
Energy: 2.462770220994733
Energy: 2.031422969959314
Energy: 2.4685272903554205
Energy: 2.031422969959314
Energy: 2.399761722044957
Energy: 1.9799398966030246
Energy: 2.4314029359522813
Energy: 1.9799398966030246
Energy: 1.9963937575149016
Energy: 1.9895393365537768
Energy: 2.431614860150369
Energy: 1.9895393365537768
Energy: 1.997186704005151
Energy: 1.981197131200918
Energy: 2.468338820314778
Energy: 1.981197131200918
Energy: 1.9942283416062432
Energy: 1.979792625660673
Energy: 2.400644905001145
Energy: 1.9797926256587381
Energy: 2.0091252678906155
Energy: 1.9865768186139783
Energy: 2.4616698567514033
Energy: 1.9865768186139783
Energy: 2.2453213195228536
Energy: 1.9805099530313393
Energy: 2.4582806786488347
Energy: 1.9805099530313393
Energy: 2.2295447170441856
Energy: 2.02869915942157
Energy: 2.4008320341555267
Energy: 2.02869915942157
Energy: 2.2289942271283913
Energy: 2.0316164525693123
Energy: 2.2307544123986047
Energy: 2.0316164525712477
Energy: 2.230472658104153
Energy: 2.027263315884507
Energy: 2.2308525232331693
Energy: 2.027263315884507
Energy: 2.400033903942064
Energy: 2.024715263458452
Energy: 2.2317772548879113
Energy: 2.024715263458452
Energy: 2.4316865475599214
Energy: 2.0100262008112195
Energy: 2.2488451424748934
Energy: 2.0100262008112195

minimum gb energy = 1.9797926256587381 eV
minimum distance =  2.47651644308502 Angstroms
sigma value = 17


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

Energy: 2.423366816215477
Energy: 2.000269659889253
Energy: 2.405964984282835
Energy: 2.000269659889253
Energy: 2.4085476534220427
Energy: 1.991355238632513
Energy: 2.050322236664925
Energy: 1.991355238632513
Energy: 2.3841122206611733
Energy: 1.9896590426109306
Energy: 2.052901011574789
Energy: 1.9896590426109306
Energy: 2.3784244449794287
Energy: 1.9917249886545947
Energy: 2.050335932922656
Energy: 1.9917249886545947
Energy: 2.3795601679225205
Energy: 2.010301327796673
Energy: 2.3699108207514956
Energy: 2.010301327796673
Energy: 2.383570111896046
Energy: 2.0020785197211843
Energy: 2.3944427203294487
Energy: 2.0020785197211843
Energy: 2.215440213618305
Energy: 1.9807902609891272
Energy: 2.416697070085756
Energy: 1.980790260988031
Energy: 2.029954696129119
Energy: 1.9809972985013677
Energy: 2.324773062113355
Energy: 1.9809972985013677
Energy: 2.029892822824894
Energy: 1.9781084267485545
Energy: 2.3721933398615933
Energy: 1.9781084267485545
Energy: 2.0284591748763248
Energy: 1.9842145488045975
Energy: 2.374436326011436
Energy: 1.9842145488045975
Energy: 2.0290882961817553
Energy: 2.0028449267826316
Energy: 2.3762674847222276
Energy: 2.0028449267826316
Energy: 2.3707928226794124
Energy: 1.9835771918596237
Energy: 2.3731694842522053
Energy: 1.9835771918596237
Energy: 2.4176890186698072
Energy: 1.9893060441661095
Energy: 2.2787128282409057
Energy: 1.9893060441661095
Energy: 2.419211687697819
Energy: 1.9792419962925745
Energy: 2.0276421431424407
Energy: 1.9792419962925745
Energy: 2.376397135712911
Energy: 1.984352281233961
Energy: 2.038348613047716
Energy: 1.984352281233961
Energy: 2.3909095777770224
Energy: 1.9847968370516866
Energy: 2.028261998268256
Energy: 1.9847968370516866
Energy: 2.3708842838339756
Energy: 2.0106039672220795
Energy: 2.0315287412919414
Energy: 2.0106039672220795
Energy: 2.3713319463914457
Energy: 2.010899056561481
Energy: 2.20619805344996
Energy: 2.010899056562577
Energy: 2.382093015960583
Energy: 2.000008459289008
Energy: 2.378123351403038
Energy: 2.000008459289008
Energy: 2.0511117390515565
Energy: 1.9911421411608659
Energy: 2.3511009846706132
Energy: 1.9911421411608659
Energy: 2.0536700592633648
Energy: 1.9906896489622745
Energy: 2.379586728942138
Energy: 1.9906896489622745
Energy: 2.0512899258446926
Energy: 1.989145683237391
Energy: 2.3838245320155282
Energy: 1.989145683237391
Energy: 2.0532087437142925
Energy: 1.9903660718834133
Energy: 2.388308096258703
Energy: 1.9903660718823173
Energy: 2.129602577667692
Energy: 1.9919342786761127
Energy: 2.369954902895028
Energy: 1.9919342786772087
Energy: 2.198524740066645
Energy: 1.99735284971437
Energy: 2.3839314322946614
Energy: 1.99735284971437
Energy: 2.193698908169373
Energy: 1.990607483743987
Energy: 2.385606499108756
Energy: 1.990607483743987
Energy: 2.204877205364952
Energy: 2.0222028432364345
Energy: 2.201267149592121
Energy: 2.0222028432364345
Energy: 2.386109862791669
Energy: 1.9905753445164764
Energy: 2.193676366342519
Energy: 1.9905753445164764
Energy: 2.3844785627270806
Energy: 1.991183092011128
Energy: 2.19789296072924
Energy: 1.991183092011128
Energy: 2.3213526721866105
Energy: 1.9846918562125904
Energy: 2.279710455492364
Energy: 1.9846918562125904

minimum gb energy = 1.9781084267485545 eV
minimum distance =  2.48619617847947 Angstroms
sigma value = 53


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

Energy: 1.8304166410320646
Energy: 1.6766660658080925
Energy: 3.7655967120114338
Energy: 1.6766660658080925
Energy: 1.8331411043511172
Energy: 1.6858776840807348
Energy: 1.8875290007973153
Energy: 1.6858776840807348
Energy: 2.0784977013770702
Energy: 1.7012766561413752
Energy: 1.8859467717439362
Energy: 1.7012766561413752
Energy: 2.077406988760239
Energy: 1.686777916247889
Energy: 1.8853965850105907
Energy: 1.686777916247889
Energy: 2.0780613984025855
Energy: 1.7021182764593847
Energy: 2.077798374843364
Energy: 1.7021182764593847
Energy: 2.0774681677456126
Energy: 1.6844155133606147
Energy: 2.077626774782654
Energy: 1.6844155133606147
Energy: 2.077205566571081
Energy: 1.702222180352821
Energy: 1.8447768295708964
Energy: 1.702222180352821
Energy: 1.884301816328211
Energy: 1.6923801623989163
Energy: 1.8323757555846532
Energy: 1.692380162396393
Energy: 1.8846732075700685
Energy: 1.6904867523018872
Energy: 2.0804456048578728
Energy: 1.6904867523018872
Energy: 1.8862647293746992
Energy: 1.6839367001358256
Energy: 2.0783262968765923
Energy: 1.6839367001358256
Energy: 1.884951593597762
Energy: 1.7028913551572007
Energy: 2.077637584274681
Energy: 1.7028913551572007
Energy: 2.076840052227714
Energy: 1.6899537791656596
Energy: 2.077387071022727
Energy: 1.6899537791656596
Energy: 1.8323616164232488
Energy: 1.7031014234130522
Energy: 2.0768508532958703
Energy: 1.7031014234130522

minimum gb energy = 1.6766660658080925 eV
minimum distance =  2.52686224620606 Angstroms
sigma value = 9


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

Energy: 2.748593594296482
Energy: 1.9618190851905857
Energy: 1.8398295686122363
Energy: 1.9618190847303885
Energy: 2.0409377589292785
Energy: 1.8481051360326954
Energy: 2.1991494294568663
Energy: 1.8481051360326954
Energy: 2.197572862748717
Energy: 1.928369943369601
Energy: 2.2001258568807263
Energy: 1.928369943369601
Energy: 2.2070060014392308
Energy: 1.92925542714871
Energy: 2.196200058478082
Energy: 1.92925542714871
Energy: 2.19707284170395
Energy: 1.8267010151780463
Energy: 2.1989881076771085
Energy: 1.8267010151761787
Energy: 2.198809825183976
Energy: 1.829607515495688
Energy: 2.078915629694792
Energy: 1.829607515495688
Energy: 2.1975894372949076
Energy: 1.8750066268679582
Energy: 2.552978110660153
Energy: 1.8750066268660905
Energy: 2.413161831758734
Energy: 1.851646066161908
Energy: 2.553191036008157
Energy: 1.851646066161908
Energy: 2.3961406089921113
Energy: 1.9296070721218928
Energy: 2.0775930815901487
Energy: 1.9296070721218928
Energy: 2.2899566771393425
Energy: 1.8660070874251216
Energy: 2.0779064489745602
Energy: 1.8660070874251216
Energy: 2.401197336308494
Energy: 1.8266181327967022
Energy: 2.0909835089564552
Energy: 1.8266181327967022
Energy: 2.286854856237819
Energy: 1.8691851701945148
Energy: 2.077778992783711
Energy: 1.8691851701945148
Energy: 2.552969905831782
Energy: 1.8268045413301417
Energy: 2.078364470635738
Energy: 1.8268045413310758
Energy: 2.5532753469525464
Energy: 1.931593514068976
Energy: 2.5396809190932093
Energy: 1.931593514068976
Energy: 2.28780145669873
Energy: 1.852941809128288
Energy: 2.5424208910305883
Energy: 1.852941809128288
Energy: 2.457141437683015
Energy: 1.8265184916097033
Energy: 2.4897433456378937
Energy: 1.8265184916087693
Energy: 2.036187361621008
Energy: 1.8680901905264293
Energy: 2.537804521260326
Energy: 1.8680901905264293
Energy: 2.035396276375558
Energy: 1.8290484159953337
Energy: 2.524952851933651
Energy: 1.8290484159953337
Energy: 2.0347049269662505
Energy: 1.8280114006159318
Energy: 2.550655755934903
Energy: 1.8280114006159318
Energy: 2.4445025227647506
Energy: 1.8391132045660852
Energy: 2.5375928822395033
Energy: 1.8391132045670193
Energy: 2.5491157750518774
Energy: 1.8305085304575275
Energy: 2.550662706910843
Energy: 1.8305085304575275
Energy: 2.5680175029742625
Energy: 1.9402082456587522
Energy: 2.59477145599153
Energy: 1.9402082456587522
Energy: 2.5683397217579045
Energy: 2.040204612009335
Energy: 2.0417285344759866
Energy: 2.040204612009335
Energy: 2.5495422283011537
Energy: 1.830480630916861
Energy: 2.0357062909945802
Energy: 1.830480630916861
Energy: 2.540217564720238
Energy: 1.8292671095295305
Energy: 2.0348586125450976
Energy: 1.8292671095295305
Energy: 2.3957897181539156
Energy: 1.8262357793185071
Energy: 2.0365861236644354
Energy: 1.8262357793175736
Energy: 2.5387975774972373
Energy: 1.8522133098251143
Energy: 2.2521763931348824
Energy: 1.8522133098241804
Energy: 2.5503940129185434
Energy: 1.8317369044900602
Energy: 2.5120870982329833
Energy: 1.8317369044900602
Energy: 2.079062206144849
Energy: 1.8549966932551958
Energy: 2.5680543608111055
Energy: 1.8549966932542619
Energy: 2.076645653585158
Energy: 1.8476656312215438
Energy: 2.4890694937135875
Energy: 1.8476656312224775
Energy: 2.077192569277312
Energy: 1.8517514942615776
Energy: 2.399436566853548
Energy: 1.8517514942615776
Energy: 2.0763598471293245
Energy: 1.82524228873849
Energy: 2.397099542468517
Energy: 1.82524228873849
Energy: 2.0772840390382594
Energy: 1.8735313149427508
Energy: 2.3911816723348696
Energy: 1.8735313149427508
Energy: 2.0758750251429166
Energy: 1.8258220864463404
Energy: 2.4025515839423903
Energy: 1.8258220864463404
Energy: 2.571844992019231
Energy: 2.0042473649675445
Energy: 2.500888037490268
Energy: 2.0042473649666106

minimum gb energy = 1.82524228873849 eV
minimum distance =  2.46190230111921 Angstroms
sigma value = 73


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

Energy: 2.8056061135828814
Energy: 1.9474973402020264
Energy: 2.0660060808406087
Energy: 1.947497340203508
Energy: 2.5970781879494202
Energy: 1.8370078315463396
Energy: 2.243319902150227
Energy: 1.8370078315463396
Energy: 2.2405899677632424
Energy: 1.9265068751123227
Energy: 2.2399008504275386
Energy: 1.9265068751123227
Energy: 2.2425771433959505
Energy: 1.9284953167371401
Energy: 2.241758537587659
Energy: 1.9284953167356584
Energy: 2.2409170357064268
Energy: 1.835063520590024
Energy: 2.2415804521003184
Energy: 1.835063520590024
Energy: 2.2447985511874675
Energy: 1.8369335205492119
Energy: 2.3597431713868287
Energy: 1.8369335205492119
Energy: 2.2423972572401003
Energy: 2.075756275732169
Energy: 2.628290331400109
Energy: 2.075756275732169
Energy: 2.55358914420196
Energy: 1.8361950091841297
Energy: 2.628453522810715
Energy: 1.8361950091841297
Energy: 2.5289871505533745
Energy: 1.929609341203134
Energy: 2.35678630632719
Energy: 1.929609341203134
Energy: 2.371525032188571
Energy: 1.8352890829869672
Energy: 2.0668717726941104
Energy: 1.8352890829869672
Energy: 2.5336240622792587
Energy: 1.838018202774899
Energy: 2.065817056764452
Energy: 1.838018202774899
Energy: 2.6384964444890726
Energy: 1.8355440413059858
Energy: 2.065826270925758
Energy: 1.8355440413074675
Energy: 2.522919294841755
Energy: 1.8355247573505988
Energy: 2.067199662613388
Energy: 1.8355247573505988
Energy: 2.5230873901824395
Energy: 2.0326826694420226
Energy: 2.6554449451178987
Energy: 2.0326826694420226
Energy: 2.631428363436444
Energy: 1.8345774824717658
Energy: 2.6317664103060707
Energy: 1.8345774824717658
Energy: 2.6558283056402203
Energy: 2.0325406793139504
Energy: 2.662621175055575
Energy: 2.0325406793139504
Energy: 2.0673066604997707
Energy: 1.8353052529225087
Energy: 2.660373434382912
Energy: 1.8353052529210272
Energy: 2.0676278751362025
Energy: 1.8358651014179985
Energy: 2.642910261862732
Energy: 1.8358651014179985
Energy: 2.0960159170572137
Energy: 1.9368381693553292
Energy: 2.5301792368141958
Energy: 1.9368381693553292
Energy: 2.0656519961027993
Energy: 1.812610775387265
Energy: 2.530681937431056
Energy: 1.812610775387265
Energy: 2.35823642076081
Energy: 1.937458778162504
Energy: 2.5308203825075593
Energy: 1.937458778162504
Energy: 2.65760664318721
Energy: 1.8393523113927561
Energy: 2.6857103543520484
Energy: 1.8393523113927561

minimum gb energy = 1.812610775387265 eV
minimum distance =  2.49208916118599 Angstroms
sigma value = 7


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

Energy: 3.5945689864121353
Energy: 1.906050125480521
Energy: 2.0760896237323183
Energy: 1.906050125480521
Energy: 2.6816912470534384
Energy: 1.8870170425094581
Energy: 2.2549390372339406
Energy: 1.8870170425094581
Energy: 2.2536349415974577
Energy: 1.9051808046614642
Energy: 2.2509750256558974
Energy: 1.9051808046614642
Energy: 2.2508952097897224
Energy: 1.9080400814351983
Energy: 2.256263213902337
Energy: 1.9080400814351983
Energy: 2.253482614121861
Energy: 1.904918989917632
Energy: 2.2526074592048326
Energy: 1.904918989917632
Energy: 2.2562858248850652
Energy: 1.8899823734436274
Energy: 2.3868111748160032
Energy: 1.8899823734436274
Energy: 2.3039320972230883
Energy: 1.8743169216272928
Energy: 2.633590213854144
Energy: 1.8743169216272928
Energy: 2.5876991971793473
Energy: 1.8845815386498173
Energy: 2.632451308621879
Energy: 1.8845815386498173
Energy: 2.58680196061303
Energy: 1.9045017488864127
Energy: 2.3869642545298912
Energy: 1.9045017488864127
Energy: 2.428373886057174
Energy: 1.8870601472301187
Energy: 2.0750193178663117
Energy: 1.8870601472301187
Energy: 2.5937073696797373
Energy: 1.8871767377566813
Energy: 2.1053761910108455
Energy: 1.8871767377566813
Energy: 2.5064674533602966
Energy: 1.8871434535925256
Energy: 2.075172883258899
Energy: 1.8871434535925256
Energy: 2.586115874151199
Energy: 1.9059071616585717
Energy: 2.114984852125338
Energy: 1.9059071616575238
Energy: 2.585870575152383
Energy: 1.8876597438127605
Energy: 2.3903242656959134
Energy: 1.8876597438127605
Energy: 2.5843660804394153
Energy: 1.8892959807187004
Energy: 2.3872075085811453
Energy: 1.8892959807187004
Energy: 2.586426090041619
Energy: 1.8749164535252356
Energy: 2.6733974765021933
Energy: 1.8749164535252356
Energy: 2.255077707488038
Energy: 1.8851573621455484
Energy: 2.428525024489064
Energy: 1.8851573621455484
Energy: 2.251931774980991
Energy: 1.909055482160073
Energy: 2.2531393645652003
Energy: 1.909055482160073
Energy: 2.2761989731503234
Energy: 1.8890744566562105
Energy: 2.2528247460339914
Energy: 1.8890744566562105
Energy: 2.260478923836274
Energy: 1.8875998608036377
Energy: 2.2536302772531602
Energy: 1.8875998608036377
Energy: 2.3859226711963584
Energy: 1.8873977218110942
Energy: 2.2593612977897837
Energy: 1.8873977218110942
Energy: 2.6329266033777246
Energy: 1.884969674834921
Energy: 2.300229976594391
Energy: 1.884969674834921
Energy: 2.6337241852873188
Energy: 1.8847723441788498
Energy: 2.588596876665998
Energy: 1.8847723441788498
Energy: 2.3871386757526456
Energy: 1.8860556782589284
Energy: 2.5912497870654168
Energy: 1.8860556782589284
Energy: 2.3854790823699963
Energy: 1.8793802324100028
Energy: 2.4295356360799185
Energy: 1.8793802324100028
Energy: 2.1156520039107454
Energy: 1.9129446875555405
Energy: 2.42890875133412
Energy: 1.9129446875555405
Energy: 2.0714401395822413
Energy: 1.8841412469526075
Energy: 2.5042864734764025
Energy: 1.8841412469526075
Energy: 2.109311502994509
Energy: 1.9104515947855052
Energy: 2.5877417074273974
Energy: 1.9104515947855052
Energy: 2.385346331672506
Energy: 1.8778819106367366
Energy: 2.5914377109559155
Energy: 1.8778819106367366
Energy: 2.387459381789685
Energy: 1.8862947039983702
Energy: 2.5913667303657055
Energy: 1.8862947039994176
Energy: 2.427410365249
Energy: 1.886357788889981
Energy: 2.5860171122438476
Energy: 1.886357788889981

minimum gb energy = 1.8743169216272928 eV
minimum distance =  2.48778661445101 Angstroms
sigma value = 29


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

Energy: 2.803837538752754
Energy: 1.935432142477056
Energy: 1.9342795612724766
Energy: 1.935432142477056
Energy: 2.377640802234592
Energy: 1.9283111681175868
Energy: 2.17119724386998
Energy: 1.9283111681175868
Energy: 2.174083659298372
Energy: 1.9256252755042114
Energy: 2.1891804578607084
Energy: 1.9256252755042114
Energy: 2.1878372343212966
Energy: 1.9334696030772631
Energy: 1.9330665308107404
Energy: 1.9334696030772631
Energy: 2.1841766391524136
Energy: 1.9331948311362415
Energy: 2.1865238111635064
Energy: 1.9331948311362415
Energy: 2.1727848289857716
Energy: 1.9332005690304646
Energy: 2.170139574224664
Energy: 1.9332005690304646
Energy: 2.1782550295668517
Energy: 1.926960525927817
Energy: 2.1704389673831788
Energy: 1.926960525927817
Energy: 2.181208361873515
Energy: 1.92383557135086
Energy: 2.167243453758385
Energy: 1.92383557135086
Energy: 2.3793298970729437
Energy: 1.9259612567471993
Energy: 2.179550939999943
Energy: 1.9259612567471993

minimum gb energy = 1.92383557135086 eV
minimum distance =  2.50424573113212 Angstroms
sigma value = 5


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

Energy: 2.811637222730574
Energy: 2.4998596985870454
Energy: 3.235265923707548
Energy: 2.499859698588035
Energy: 2.1359652830990044
Energy: 2.0505490138456985
Energy: 2.18362884471054
Energy: 2.0505490138456985
Energy: 2.129327075695585
Energy: 2.1213034550530554
Energy: 2.1463908778928156
Energy: 2.1213034550530554
Energy: 2.1317675967140546
Energy: 2.103154224183131
Energy: 2.155875979267021
Energy: 2.103154224183131
Energy: 2.13123921413302
Energy: 2.14426990817404
Energy: 2.211797536892777
Energy: 2.14426990817305
Energy: 2.105392476124581
Energy: 2.044612835379971
Energy: 2.3141553996579125
Energy: 2.044612835379971
Energy: 2.107602705179668
Energy: 2.0429780868603356
Energy: 2.3167441813541885
Energy: 2.0429780868603356
Energy: 2.1063100075321293
Energy: 2.0620174911085254
Energy: 2.3184757253077803
Energy: 2.0620174911085254
Energy: 2.125813652179535
Energy: 2.0633609581355437
Energy: 2.1159712984186263
Energy: 2.0633609581365335
Energy: 2.2007507484487365
Energy: 2.4023108260779344
Energy: 2.6083156909236074
Energy: 2.4023108260779344
Energy: 2.1163785268204585
Energy: 2.1067284007870586
Energy: 2.108112648909834
Energy: 2.1067284007870586
Energy: 2.450435584924462
Energy: 2.042109384182274
Energy: 2.1237264166328025
Energy: 2.042109384182274
Energy: 2.3875077697865277
Energy: 2.062713078340993
Energy: 2.244211214732748
Energy: 2.062713078337034
Energy: 2.150068518648349
Energy: 2.1472267101965783
Energy: 2.1167787034453727
Energy: 2.1472267101965783
Energy: 2.314583337713427
Energy: 2.0418797448686012
Energy: 2.109269099138508
Energy: 2.0418797448686012
Energy: 2.316113273558424
Energy: 2.0446662431168536
Energy: 2.107689533078581
Energy: 2.0446662431168536
Energy: 2.2151949662081636
Energy: 2.1036132029991506
Energy: 2.1152086769508487
Energy: 2.1036132029991506
Energy: 2.148947986617871
Energy: 2.1016698737852626
Energy: 2.1331557026310657
Energy: 2.1016698737852626
Energy: 2.148677520942003
Energy: 2.100056878694632
Energy: 2.1301962485736494
Energy: 2.100056878694632
Energy: 2.2094335738014537
Energy: 2.1555808784075303
Energy: 2.1287539096208574
Energy: 2.1555808784075303
Energy: 2.3873724758852015
Energy: 2.0270034582963663
Energy: 2.183423025663871
Energy: 2.0270034582963663
Energy: 2.4070023721008877
Energy: 2.0260804156131242
Energy: 2.182510515612169
Energy: 2.0260804156131242
Energy: 2.186925478365518
Energy: 2.029045584898453
Energy: 2.112864083266245
Energy: 2.029045584898453
Energy: 2.2437062689787313
Energy: 2.1063837172170508
Energy: 2.3069595851157256
Energy: 2.1063837172170508
Energy: 2.1246064260930515
Energy: 2.121629934024387
Energy: 2.134789783662152
Energy: 2.121629934024387
Energy: 2.190498246174868
Energy: 2.027052889204624
Energy: 2.171690052691509
Energy: 2.027052889204624
Energy: 2.165553481036099
Energy: 2.028595302820329
Energy: 2.164892717661591
Energy: 2.028595302820329
Energy: 2.164153742984377
Energy: 2.0288547977889073
Energy: 2.1666457170293842
Energy: 2.0288547977889073
Energy: 2.1903204301807224
Energy: 2.0260544719251747
Energy: 2.189890963967842
Energy: 2.0260544719261646
Energy: 2.2533941740338492
Energy: 2.1031222239408605
Energy: 2.147465624538966
Energy: 2.1031222239408605
Energy: 2.307231264802324
Energy: 2.1052314899056515
Energy: 2.149541986150423
Energy: 2.1052314899056515
Energy: 2.1123007912120446
Energy: 2.0258121722308027
Energy: 2.1873951290717852
Energy: 2.0258121722308027
Energy: 2.1019049952804676
Energy: 2.2606937639589453
Energy: 2.5419160064759923
Energy: 2.2606937639579554

minimum gb energy = 2.0258121722308027 eV
minimum distance =  2.45823807170608 Angstroms
sigma value = 1


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

Energy: 3.3997504949770034
Energy: 2.0157622070166386
Energy: 3.4192337915657074
Energy: 2.0157622070166386
Energy: 2.0348025621011874
Energy: 1.995350306138073
Energy: 2.075454678323488
Energy: 1.995350306138073
Energy: 2.063963225005485
Energy: 1.9982138021977345
Energy: 2.1352548429859484
Energy: 1.9982138021963656
Energy: 2.0630986849416226
Energy: 1.9935017026803241
Energy: 2.033214862678564
Energy: 1.9935017026803241
Energy: 2.0647838509140697
Energy: 1.9069384770848032
Energy: 2.1342206828824297
Energy: 1.9069384770861717
Energy: 2.064278269039211
Energy: 1.9062531237496345
Energy: 2.134486227211499
Energy: 1.9062531237496345
Energy: 2.0635224276926545
Energy: 1.9755603612072932
Energy: 2.1335460521075147
Energy: 1.9755603612072932
Energy: 2.064201147798457
Energy: 1.9978210272222658
Energy: 2.1341890917373227
Energy: 1.9978210272222658
Energy: 2.045640628781651
Energy: 1.9955959204081457
Energy: 2.074861430296363
Energy: 1.9955959204081457
Energy: 2.130296553010641
Energy: 2.4601117812660407
Energy: 2.510379457998921
Energy: 2.4601117812660407
Energy: 2.0463359336302944
Energy: 1.9916296942307186
Energy: 2.0646778507743084
Energy: 1.9916296942307186
Energy: 2.0648037942395243
Energy: 1.9965303962592167
Energy: 2.0336306041197707
Energy: 1.9965303962592167
Energy: 2.0641754315360563
Energy: 1.9968733953400009
Energy: 2.03528510138884
Energy: 1.9968733953400009
Energy: 2.1324650013864193
Energy: 2.1696474132461327
Energy: 2.0656733709332267
Energy: 2.1696474132461327
Energy: 2.03326705160631
Energy: 1.9967457013225445
Energy: 2.064267373106001
Energy: 1.9967457013225445
Energy: 2.0346299003983157
Energy: 1.9954680859272678
Energy: 2.0643263716206244
Energy: 1.9954680859272678
Energy: 2.1357300923752804
Energy: 1.9057913778335949
Energy: 2.0470485533723015
Energy: 1.9057913778335949
Energy: 2.1344741349102403
Energy: 1.9961084146404888
Energy: 2.076941973971005
Energy: 1.9961084146404888
Energy: 2.134700907429411
Energy: 1.9745742565804727
Energy: 2.064980789966669
Energy: 1.9745742565804727
Energy: 2.1335665101612604
Energy: 1.906263186784979
Energy: 2.064659101644816
Energy: 1.906263186784979
Energy: 2.0638146416862613
Energy: 1.9964020137315095
Energy: 2.1287707850521405
Energy: 1.9964020137315095
Energy: 2.5128250638073544
Energy: 1.9974248730197965
Energy: 2.1288022778898363
Energy: 1.9974248730197965
Energy: 2.065063380502346
Energy: 1.9032526218219894
Energy: 2.0650714897421554
Energy: 1.9032526218219894
Energy: 2.0340490158316364
Energy: 1.9766326305018347
Energy: 2.0650921643301916
Energy: 1.9766326305018347

minimum gb energy = 1.9032526218219894 eV
minimum distance =  2.47280346618861 Angstroms
sigma value = 17


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

Energy: 2.4741635889754137
Energy: 2.6320705412233405
Energy: 3.098801067698707
Energy: 2.6320705412233405
Energy: 2.0868553996942802
Energy: 1.954134721981747
Energy: 2.0687677611768054
Energy: 1.954134721981747
Energy: 2.1130815892775705
Energy: 2.060192815588147
Energy: 2.1235349083018633
Energy: 2.0601928155873015
Energy: 2.1151534717157756
Energy: 2.036651605196021
Energy: 2.182866084135091
Energy: 2.036651605196021
Energy: 2.1229362794554425
Energy: 1.9789216997419592
Energy: 2.125116539112544
Energy: 1.9789216997419592
Energy: 2.1285469604065494
Energy: 1.9357845532191027
Energy: 2.12543094324316
Energy: 1.9357845532191027
Energy: 2.1308898748641023
Energy: 1.9367088203000726
Energy: 2.125014615993126
Energy: 1.9367088203000726
Energy: 2.124721002983324
Energy: 1.9362004035431863
Energy: 2.126316272939126
Energy: 1.9362004035431863
Energy: 2.1262449094847686
Energy: 2.036933306846481
Energy: 2.1129154747677528
Energy: 2.036933306846481
Energy: 2.2494231320588303
Energy: 2.0346301295409654
Energy: 2.114303751146792
Energy: 2.0346301295409654
Energy: 2.0730884730062105
Energy: 2.034711353848059
Energy: 2.114411992160567
Energy: 2.034711353848059
Energy: 2.2129980772972506
Energy: 1.9574315787616157
Energy: 2.0728562745421844
Energy: 1.9574315787616157
Energy: 2.5119200288100543
Energy: 2.450523071402616
Energy: 2.0683570369950774
Energy: 2.450523071402616
Energy: 2.0688622335295577
Energy: 1.9533752108254792
Energy: 2.1145464589138845
Energy: 1.9533752108254792
Energy: 2.335709809233996
Energy: 2.0369941119393062
Energy: 2.114367638259793
Energy: 2.0369941119393062
Energy: 2.072615587691261
Energy: 2.0405667457260908
Energy: 2.118286336508399
Energy: 2.0405667457260908
Energy: 2.068386040176142
Energy: 1.9516181631792195
Energy: 2.254780095628434
Energy: 1.9516181631783738
Energy: 2.074856783339346
Energy: 1.9545383153535862
Energy: 2.255094551854487
Energy: 1.9545383153535862
Energy: 2.0719210538247355
Energy: 1.9584901712683929
Energy: 2.2592046944184236
Energy: 1.9584901712683929
Energy: 2.11692430419588
Energy: 2.1928057669427
Energy: 2.2566168207273685
Energy: 2.1928057669427
Energy: 2.079872673596998
Energy: 1.9968186259734968
Energy: 2.2606072435180753
Energy: 1.9968186259734968
Energy: 2.0768343835591128
Energy: 1.9850675493711345
Energy: 2.3251425815679325
Energy: 1.9850675493711345
Energy: 2.0787246538133783
Energy: 2.2931037256553206
Energy: 2.0802487309368565
Energy: 2.2931037256553206
Energy: 2.1267100587213594
Energy: 2.162638157446906
Energy: 2.500382647239417
Energy: 2.1626381574460605
Energy: 2.0689383262007586
Energy: 2.005366000901122
Energy: 2.234209128015434
Energy: 2.005366000901122
Energy: 2.076664203573288
Energy: 1.9900269736523009
Energy: 2.076822242701197
Energy: 1.9900269736531082
Energy: 2.552648419960516
Energy: 2.4971302446563604
Energy: 2.0735064858284025
Energy: 2.4971302446555144
Energy: 2.082220291689362
Energy: 1.9909235718431617
Energy: 2.161312754609825
Energy: 1.9909235718431617
Energy: 2.2928006352637724
Energy: 2.007603697787792
Energy: 2.0756759331869152
Energy: 2.007603697787792
Energy: 2.322610523442179
Energy: 1.9815305648720214
Energy: 2.076277301029474
Energy: 1.9815305648720214
Energy: 2.286566857402212
Energy: 1.986973298314825
Energy: 2.078058363561863
Energy: 1.986973298314825
Energy: 2.243766347638669
Energy: 1.9522224936792154
Energy: 2.0690119636259885
Energy: 1.9522224936792154
Energy: 2.2556439648852096
Energy: 1.9545955144799105
Energy: 2.0712290225306553
Energy: 1.9545955144799105
Energy: 2.2576835467012404
Energy: 1.9576897591522635
Energy: 2.0693603312024242
Energy: 1.9576897591522635
Energy: 2.123591468222485
Energy: 2.0346714396099417
Energy: 2.070760832899914
Energy: 2.0346714396099417
Energy: 2.248281389920415
Energy: 2.2160910096202744
Energy: 2.129184885155931
Energy: 2.2160910096202744
Energy: 2.113580243255131
Energy: 2.034973720018398
Energy: 2.1260673440500284
Energy: 2.034973720018398
Energy: 2.0660594127856005
Energy: 1.9566964857021112
Energy: 2.069151133317491
Energy: 1.9566964857021112

minimum gb energy = 1.9357845532191027 eV
minimum distance =  2.45270821216764 Angstroms
sigma value = 89


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

Energy: 3.679724522871479
Energy: 1.97786773924207
Energy: 3.157513090702786
Energy: 1.97786773924207
Energy: 1.9499654895680485
Energy: 1.89839229411234
Energy: 2.021733209205657
Energy: 1.89839229411234
Energy: 2.0096449426067813
Energy: 1.9043634123689162
Energy: 2.2386378128211923
Energy: 1.9043634123689162
Energy: 2.009574002803355
Energy: 1.8983372030535406
Energy: 2.2376001558499174
Energy: 1.8983372030535406
Energy: 2.0104899910001346
Energy: 1.8121526939155472
Energy: 2.1270258547552787
Energy: 1.8121526939155472
Energy: 2.103345787915639
Energy: 1.8112638375677639
Energy: 2.1023531189527764
Energy: 1.8112638375677639
Energy: 2.1014523712231314
Energy: 1.8110694936833802
Energy: 2.1022148026303813
Energy: 1.8110694936833802
Energy: 2.127506258373179
Energy: 1.8132895792693817
Energy: 2.1034858149509756
Energy: 1.8132895792693817
Energy: 2.128165897763904
Energy: 1.8992247368428883
Energy: 2.010125120022956
Energy: 1.8992247368428883
Energy: 2.1272075545403357
Energy: 1.896920780035806
Energy: 2.009911001809427
Energy: 1.896920780035806
Energy: 2.127308212121908
Energy: 1.898466425224622
Energy: 2.0102833035804863
Energy: 1.898466425224622
Energy: 2.012125179901032
Energy: 1.909941348258557
Energy: 2.1243657130453566
Energy: 1.909941348258557
Energy: 2.4141042536018946
Energy: 1.8989946138447138
Energy: 2.125286227240323
Energy: 1.8989946138447138
Energy: 2.0118079963372115
Energy: 1.8094536570597493
Energy: 2.011371000571995
Energy: 1.8094536570597493
Energy: 1.9485653495772266
Energy: 1.8996526071474555
Energy: 2.0101614872226605
Energy: 1.8996526071496684

minimum gb energy = 1.8094536570597493 eV
minimum distance =  2.46704354953079 Angstroms
sigma value = 13


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

Energy: 2.4730149139684534
Energy: 1.932009867823781
Energy: 2.926960072135007
Energy: 1.932009867823781
Energy: 1.8916332881493378
Energy: 1.841955330763134
Energy: 1.963225717647571
Energy: 1.841955330763134
Energy: 1.9560403720714068
Energy: 1.8419877779953229
Energy: 2.05869542803031
Energy: 1.8419877779953229
Energy: 1.9544951014789325
Energy: 1.8427723526964568
Energy: 2.0565812892223754
Energy: 1.8427723526964568
Energy: 1.9830086294357951
Energy: 1.7607847423982248
Energy: 1.9766316712388392
Energy: 1.7607847423982248
Energy: 2.1388103234991562
Energy: 1.714242902863951
Energy: 1.9785007033267108
Energy: 1.7142429028630233
Energy: 2.135876610145377
Energy: 1.7113274178425602
Energy: 1.9800629250705157
Energy: 1.7113274178425602
Energy: 2.1148653804696647
Energy: 1.9323161346207263
Energy: 1.978556162582419
Energy: 1.9323161346207263
Energy: 2.1130564025164134
Energy: 1.710457368123619
Energy: 1.9757138394058416
Energy: 1.710457368123619
Energy: 2.139968222104227
Energy: 1.7098190219335756
Energy: 1.9747846567418834
Energy: 1.7098190219335756
Energy: 2.140661222700103
Energy: 1.7126877894180348
Energy: 1.9763998773340683
Energy: 1.7126877894180348
Energy: 1.9551324847353269
Energy: 1.8424496306756135
Energy: 1.9772791285428921
Energy: 1.8424496306756135
Energy: 1.9601911694018417
Energy: 1.8410972074759113
Energy: 1.9781816965907282
Energy: 1.8410972074759113
Energy: 1.955945560813569
Energy: 1.759851137790282
Energy: 1.9764015908486772
Energy: 1.7598511377884267
Energy: 1.97723540708486
Energy: 1.842718573440726
Energy: 1.961911106675904
Energy: 1.842718573440726
Energy: 1.9764277097465315
Energy: 1.85066913192033
Energy: 1.9584260874456416
Energy: 1.85066913192033
Energy: 1.9559574194660072
Energy: 1.842618493853599
Energy: 1.9585039224801029
Energy: 1.842618493853599
Energy: 1.962906832730804
Energy: 1.8435686927722779
Energy: 2.055253997622352
Energy: 1.8435686927722779
Energy: 1.973637451110136
Energy: 1.844047008095867
Energy: 1.8916426342291994
Energy: 1.8440470080967943
Energy: 1.9789614921632406
Energy: 1.8423310979082608
Energy: 1.955603083786835
Energy: 1.8423310979082608
Energy: 2.057060308926111
Energy: 1.843836365806933
Energy: 1.957083385284846
Energy: 1.843836365806933
Energy: 1.9768126341033525
Energy: 1.8424880665058287
Energy: 1.958822973789744
Energy: 1.8424880665058287
Energy: 1.9769260358801786
Energy: 1.7098673252386518
Energy: 2.1138840374702434
Energy: 1.7098673252377243
Energy: 1.978191646110985
Energy: 1.7091629383335356
Energy: 2.0547928616688176
Energy: 1.7091629383335356
Energy: 1.9770306647452
Energy: 1.7104947162739628
Energy: 2.1400233646166678
Energy: 1.7104947162739628
Energy: 1.9746914231498516
Energy: 1.7137619581264578
Energy: 2.1441291255033237
Energy: 1.7137619581264578
Energy: 1.9747179354669646
Energy: 1.710784711552788
Energy: 2.1387012680405344
Energy: 1.710784711552788
Energy: 1.976501426443213
Energy: 1.7105673217720572
Energy: 2.11315963215218
Energy: 1.7105673217711297
Energy: 1.9767717916534053
Energy: 1.8424466242963058
Energy: 1.9555158087466484
Energy: 1.8424466242963058
Energy: 2.114559932391504
Energy: 1.844268027972133
Energy: 1.9618859952290713
Energy: 1.844268027972133
Energy: 1.9765649451130658
Energy: 1.8422918965977408
Energy: 1.9553478383327467
Energy: 1.8422918965977408
Energy: 1.9675894342895526
Energy: 1.8510638201144887
Energy: 1.9782526923234662
Energy: 1.8510638201163438
Energy: 2.3401922070499483
Energy: 1.841828900784755
Energy: 1.9762003180495011
Energy: 1.841828900784755
Energy: 1.959268009522728
Energy: 1.7591355157227142
Energy: 1.9563152366750776
Energy: 1.7591355157217865
Energy: 1.8921694540939764
Energy: 1.842496103772152
Energy: 1.955699538642898
Energy: 1.842496103772152

minimum gb energy = 1.7091629383335356 eV
minimum distance =  2.46888535458499 Angstroms
sigma value = 37


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

Energy: 2.6229430525404807
Energy: 1.8619894816374778
Energy: 2.4261981466462137
Energy: 1.8619894816374778
Energy: 1.8154982675773645
Energy: 1.7728359907310203
Energy: 1.8926061972436736
Energy: 1.7728359907310203
Energy: 1.8800629599773282
Energy: 1.773897014494232
Energy: 1.9138031647292095
Energy: 1.773897014494232
Energy: 1.8797763471501239
Energy: 1.7733876248654203
Energy: 1.9132841539404133
Energy: 1.7733876248654203
Energy: 1.872382084332917
Energy: 1.6269925016384257
Energy: 1.8679805725945207
Energy: 1.6269925016384257
Energy: 2.0431893766511706
Energy: 1.6268897010829597
Energy: 1.867033885351459
Energy: 1.6268897010829597
Energy: 2.1265439328577975
Energy: 1.624927510082105
Energy: 1.8664888176830376
Energy: 1.624927510082105
Energy: 2.0414737640256204
Energy: 1.5718250918792591
Energy: 1.8677913512285897
Energy: 1.5718250918808547
Energy: 2.025950739522309
Energy: 1.5698179244883952
Energy: 2.025229086315316
Energy: 1.5698179244883952
Energy: 2.0253451062204944
Energy: 1.5704820949355285
Energy: 2.0256061452004257
Energy: 1.5704820949355285
Energy: 2.019513598828377
Energy: 1.573667812591519
Energy: 2.0415472460378017
Energy: 1.573667812591519
Energy: 1.8678701532963715
Energy: 1.6258772173952514
Energy: 2.0431938801551635
Energy: 1.6258772173952514
Energy: 1.8671095259441137
Energy: 1.6248537176162594
Energy: 2.0431149731007445
Energy: 1.6248537176162594
Energy: 1.867621530665133
Energy: 1.6247103497813857
Energy: 1.8715879647120661
Energy: 1.6247103497813857
Energy: 2.041151546719255
Energy: 1.7734366842178435
Energy: 1.8821539147344921
Energy: 1.7734366842178435
Energy: 1.8682161515508422
Energy: 1.7818301399272272
Energy: 1.8803117784984609
Energy: 1.7818301399272272
Energy: 1.8685208954030827
Energy: 1.6268322342361454
Energy: 1.8800074205304385
Energy: 1.6268322342361454
Energy: 2.2109758458486355
Energy: 2.17630511718001
Energy: 1.8661454016812902
Energy: 2.17630511718001
Energy: 1.8802356745908684
Energy: 1.7748287800141826
Energy: 1.8664091313912974
Energy: 1.7748287800141826
Energy: 1.8803118355147839
Energy: 1.7729515436699472
Energy: 1.8822300663332723
Energy: 1.7729515436699472

minimum gb energy = 1.5698179244883952 eV
minimum distance =  2.4617737907211 Angstroms
sigma value = 25


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

Energy: 2.427102895544093
Energy: 1.7420718032666311
Energy: 2.259186252840383
Energy: 1.7420718032666311
Energy: 1.697478091223719
Energy: 1.664529347942968
Energy: 1.7645149230958839
Energy: 1.664529347942968
Energy: 1.7563097339726348
Energy: 1.6646289368992226
Energy: 1.7381630274670568
Energy: 1.6646289368992226
Energy: 1.7568942518144284
Energy: 1.664137690156112
Energy: 1.8495309619589348
Energy: 1.664137690156112
Energy: 1.7230290482409163
Energy: 1.5232688558369643
Energy: 1.7195569790212013
Energy: 1.5232688558369643
Energy: 1.851818472351614
Energy: 1.5236174122089379
Energy: 1.7186214856420938
Energy: 1.5236174122089379
Energy: 1.8540200030347758
Energy: 1.522474776640469
Energy: 1.7209325749746431
Energy: 1.522474776640469
Energy: 1.7955682695423536
Energy: 1.473102963466686
Energy: 1.719609663410582
Energy: 1.473102963466686
Energy: 1.7985184534852607
Energy: 1.429948539869462
Energy: 1.9342054168623672
Energy: 1.429948539869462
Energy: 1.7979719525386761
Energy: 1.4317565153917706
Energy: 1.9527817618661483
Energy: 1.4317565153917706
Energy: 1.7961230743925602
Energy: 1.400651165256737
Energy: 1.9553737357007936
Energy: 1.400651165256737
Energy: 1.9315854699941
Energy: 1.3977314729031527
Energy: 1.9332742490867376
Energy: 1.3977314729031527
Energy: 1.9319141150229753
Energy: 1.4009630516028748
Energy: 1.9349976123988095
Energy: 1.4009630516028748
Energy: 1.9524180731469591
Energy: 1.431571730931846
Energy: 1.7962854447365335
Energy: 1.431571730931846
Energy: 1.953911015401189
Energy: 1.430378560223096
Energy: 1.796529794415044
Energy: 1.430378560223096
Energy: 1.9518374887716767
Energy: 1.430883254706882
Energy: 1.7953316204188206
Energy: 1.430883254706882
Energy: 1.71939949010023
Energy: 1.5237873579027696
Energy: 1.7974154777847977
Energy: 1.5237873579027696
Energy: 1.7194139196822997
Energy: 1.5219812778960093
Energy: 2.0001533352289624
Energy: 1.5219812778960093
Energy: 1.7187852552622924
Energy: 1.5233269016848539
Energy: 1.7974608041007925
Energy: 1.5233269016848539
Energy: 1.7201322622729698
Energy: 1.665078199006999
Energy: 1.7570831714150952
Energy: 1.665078199006999
Energy: 1.7965222103979686
Energy: 1.6637639430530156
Energy: 1.75958473972852
Energy: 1.6637639430530156
Energy: 1.7203506178454178
Energy: 1.6650056973761482
Energy: 1.7569038493498201
Energy: 1.6650056973761482
Energy: 1.76212865733034
Energy: 1.5232767319960692
Energy: 1.7186683700026057
Energy: 1.5232767319960692
Energy: 2.0208654307593186
Energy: 1.664246736314922
Energy: 1.796220505291231
Energy: 1.664246736314922
Energy: 1.7579837699739465
Energy: 1.6659749022516783
Energy: 1.758330761949713
Energy: 1.665974902250432
Energy: 1.74285173116966
Energy: 1.670884709147588
Energy: 1.7566636948692702
Energy: 1.670884709147588

minimum gb energy = 1.3977314729031527 eV
minimum distance =  2.47178692171802 Angstroms
sigma value = 41


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

Energy: 2.2462340978205058
Energy: 1.6306416419914178
Energy: 2.046350692870985
Energy: 1.6306416419903964
Energy: 1.5948904898471652
Energy: 1.4407548579193874
Energy: 1.6486329716416468
Energy: 1.4407548579183658
Energy: 1.646172733716359
Energy: 1.5650459343056549
Energy: 1.6124767661558468
Energy: 1.5650459343056549
Energy: 1.6472492868948947
Energy: 1.5659340142285725
Energy: 1.684100910073668
Energy: 1.5659340142285725
Energy: 1.6067794536040083
Energy: 1.4421849454440638
Energy: 1.6065411240005485
Energy: 1.4421849454440638
Energy: 1.6860152252565792
Energy: 1.4408013742236068
Energy: 1.6056334420020282
Energy: 1.4408013742236068
Energy: 1.6868752825867215
Energy: 1.4420281838662674
Energy: 1.6061187835721547
Energy: 1.4420281838662674
Energy: 1.648276748111339
Energy: 1.404736842761653
Energy: 1.6042888326707523
Energy: 1.404736842761653
Energy: 1.649768189591542
Energy: 1.34597183934841
Energy: 1.817780517596057
Energy: 1.34597183934841
Energy: 1.6493505952440648
Energy: 1.347860062116127
Energy: 1.8163321737478997
Energy: 1.347860062116127
Energy: 1.6513243765095802
Energy: 1.2966223805018708
Energy: 1.7598743771909287
Energy: 1.2966223805018708
Energy: 1.8320186591982286
Energy: 1.2913827368789412
Energy: 1.73369839634547
Energy: 1.2913827368789412
Energy: 1.8291690751554992
Energy: 1.2946753161888298
Energy: 1.7350700134849688
Energy: 1.2946753161888298
Energy: 1.8292027238152868
Energy: 1.273242404926915
Energy: 1.86504104343725
Energy: 1.273242404926915
Energy: 1.8459543866785577
Energy: 1.2731532986454388
Energy: 1.8461344087990101
Energy: 1.2731532986454388
Energy: 1.8453471616212533
Energy: 1.2726013704704446
Energy: 1.8246366785132446
Energy: 1.2726013704704446
Energy: 1.735230569144187
Energy: 1.2899339476913338
Energy: 1.8308933961106526
Energy: 1.2899339476913338
Energy: 1.7338834580617999
Energy: 1.2910575890934881
Energy: 1.8808402781592513
Energy: 1.2910575890934881
Energy: 1.7605691325643966
Energy: 1.291152460521252
Energy: 1.8903456683140518
Energy: 1.291152460521252
Energy: 1.757227149710893
Energy: 1.345341910864931
Energy: 1.649882114469525
Energy: 1.3453419108639093
Energy: 1.7541263818631208
Energy: 1.3459741987893854
Energy: 1.6487840031404433
Energy: 1.3459741987893854
Energy: 1.7564623972910578
Energy: 1.3457571480456292
Energy: 1.649370746426007
Energy: 1.3457571480456292
Energy: 1.6070807998628482
Energy: 1.4406254688111348
Energy: 1.6501734835625943
Energy: 1.4406254688111348
Energy: 1.6067343649788903
Energy: 1.4417040831222871
Energy: 1.6499304409966977
Energy: 1.4417040831222871
Energy: 1.6053022262514756
Energy: 1.4435632071787534
Energy: 1.650212243337376
Energy: 1.4435632071787534
Energy: 1.6490625918595596
Energy: 1.5658055870467225
Energy: 1.6478037628475057
Energy: 1.5658055870467225
Energy: 1.6489133327514784
Energy: 1.5656419084849365
Energy: 1.64576991211418
Energy: 1.5656419084859579
Energy: 1.604853590502374
Energy: 1.5410307109571415
Energy: 1.6464445137272494
Energy: 1.541030710958163
Energy: 1.6527208128092474
Energy: 1.565056510686985
Energy: 1.6486270722313543
Energy: 1.565056510686985
Energy: 1.6471501873905392
Energy: 1.565455880936278
Energy: 1.64749674333843
Energy: 1.565455880936278
Energy: 1.6466028520443832
Energy: 1.565711211623071
Energy: 1.646250143461846
Energy: 1.565711211623071
Energy: 1.617316544628964
Energy: 1.5650443827883824
Energy: 1.6475859459452373
Energy: 1.5650443827883824

minimum gb energy = 1.2726013704704446 eV
minimum distance =  2.48253021263145 Angstroms
sigma value = 15


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

Energy: 1.9557511611546836
Energy: 1.532224377280675
Energy: 1.8816057970904616
Energy: 1.5322243772815405
Energy: 1.5041559372809021
Energy: 1.369695432850268
Energy: 1.508392212869569
Energy: 1.369695432850268
Energy: 1.5468202734840624
Energy: 1.4743785854176528
Energy: 1.5120269621922169
Energy: 1.4743785854176528
Energy: 1.5473818177998224
Energy: 1.4760302059983241
Energy: 1.5643877376505977
Energy: 1.4760302059983241
Energy: 1.509643900602298
Energy: 1.3698582984044374
Energy: 1.5092686385405574
Energy: 1.369858298403572
Energy: 1.5620071190745082
Energy: 1.3690394250376685
Energy: 1.508191558197502
Energy: 1.3690394250376685
Energy: 1.51110541232491
Energy: 1.368687458080027
Energy: 1.5084078068488194
Energy: 1.3686874580791617
Energy: 1.5379924061695494
Energy: 1.2812442929862686
Energy: 1.5381988095256316
Energy: 1.2812442931497627
Energy: 1.5365177988642587
Energy: 1.2796858033523029
Energy: 1.5106572066736292
Energy: 1.2796858033523029
Energy: 1.536775839918954
Energy: 1.2782555192140057
Energy: 1.5115672929998714
Energy: 1.2782555192140057
Energy: 1.5359579976692865
Energy: 1.2247924984219203
Energy: 1.6207426788242607
Energy: 1.224792498421055
Energy: 1.7124428698281353
Energy: 1.224522446913926
Energy: 1.596352544815314
Energy: 1.224522446913926
Energy: 1.6239457128378199
Energy: 1.2210808580374826
Energy: 1.596586441001676
Energy: 1.2210808580374826
Energy: 1.7041727156920394
Energy: 1.1921582604385939
Energy: 1.6325403749897298
Energy: 1.1921582604385939
Energy: 1.6820051876650741
Energy: 1.1901424454501466
Energy: 1.7185393122791284
Energy: 1.1901424454501466
Energy: 1.676724905414795
Energy: 1.1892187418493037
Energy: 1.709226696055508
Energy: 1.1892187418493037
Energy: 1.7555671411649867
Energy: 1.1730857422014445
Energy: 1.7120215242512222
Energy: 1.1730857422005792
Energy: 1.754527615827405
Energy: 1.1731132821535262
Energy: 1.7559449972640377
Energy: 1.1731132821535262
Energy: 1.7141974030195757
Energy: 1.1716900797562253
Energy: 1.7659960200262856
Energy: 1.1716900797562253
Energy: 1.7099380054248345
Energy: 1.1906664255732498
Energy: 1.6781482970544601
Energy: 1.1906664255732498
Energy: 1.700326313711109
Energy: 1.1875655967631775
Energy: 1.6778098263752386
Energy: 1.1875655967631775
Energy: 1.649206967863104
Energy: 1.189680644514308
Energy: 1.7003048209252725
Energy: 1.189680644514308
Energy: 1.5984851396794508
Energy: 1.2235658248648593
Energy: 1.6933225620185133
Energy: 1.2235658248648593
Energy: 1.596087881167987
Energy: 1.22363961510123
Energy: 1.536665931574951
Energy: 1.22363961510123
Energy: 1.620605982371408
Energy: 1.2237898502361055
Energy: 1.5356899643551412
Energy: 1.2237898502352398
Energy: 1.6224845284287435
Energy: 1.2784010152761127
Energy: 1.5383803828324523
Energy: 1.2784010152761127
Energy: 1.5372435783500924
Energy: 1.2784625820391202
Energy: 1.5371345055573864
Energy: 1.2784625820391202
Energy: 1.508729340245769
Energy: 1.280513625245934
Energy: 1.5381418013579824
Energy: 1.280513625245934
Energy: 1.5095314914135198
Energy: 1.369691981249115
Energy: 1.5089994609200934
Energy: 1.3696919812499804
Energy: 1.509261626310464
Energy: 1.3684849825414902
Energy: 1.5977846446387798
Energy: 1.3684849825414902
Energy: 1.5078084855479545
Energy: 1.3683375586855302
Energy: 1.5100904758141762
Energy: 1.3683375586881266
Energy: 1.5372128926319581
Energy: 1.4754423230358371
Energy: 1.5475478885032399
Energy: 1.4754423230358371
Energy: 1.537317114481135
Energy: 1.4750596380124117
Energy: 1.5477963202220653
Energy: 1.4750596380124117
Energy: 1.50833966782267
Energy: 1.3695574332280396
Energy: 1.5485974492833436
Energy: 1.3695574332254432
Energy: 1.7302454348677185
Energy: 1.7016077928154447
Energy: 1.5352894372879136
Energy: 1.7016077928163105
Energy: 1.5475824625442611
Energy: 1.4744355114139085
Energy: 1.5079670569987724
Energy: 1.4744355114130432
Energy: 1.5115479463884836
Energy: 1.4745532165199982
Energy: 1.5482941502920224
Energy: 1.4745532165199982

minimum gb energy = 1.1716900797562253 eV
minimum distance =  2.47508920072978 Angstroms
sigma value = 85


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

Energy: 2.2994011285584466
Energy: 1.4266558176533661
Energy: 1.4454360867955816
Energy: 1.4266558176533661
Energy: 1.4053117309100205
Energy: 1.2834284287416762
Energy: 1.406408725727088
Energy: 1.2834284287424271
Energy: 1.4416858564061303
Energy: 1.3764698543181861
Energy: 1.445934002356301
Energy: 1.3764698543181861
Energy: 1.4410978206387826
Energy: 1.3761277679550274
Energy: 1.4103888270840808
Energy: 1.3761277679550274
Energy: 1.4089088117730462
Energy: 1.2853951027095607
Energy: 1.4080797733608266
Energy: 1.2853951027088104
Energy: 1.409231465848496
Energy: 1.283981116351744
Energy: 1.4060668784057537
Energy: 1.283981116351744
Energy: 1.409330340758171
Energy: 1.2853270562741315
Energy: 1.4065356562870168
Energy: 1.2853270562741315
Energy: 1.4274207341359262
Energy: 1.2056139247852267
Energy: 1.4288340809118305
Energy: 1.2056139247844762
Energy: 1.426418317454438
Energy: 1.202941553810555
Energy: 1.500317849255528
Energy: 1.202941553810555
Energy: 1.4275752824612864
Energy: 1.2024266304133424
Energy: 1.4080308304057643
Energy: 1.202426630414093
Energy: 1.4264853939247901
Energy: 1.1433968854480347
Energy: 1.4731339337370344
Energy: 1.1433968854480347
Energy: 1.444360952712678
Energy: 1.1433251533240543
Energy: 1.4738666346201457
Energy: 1.1433251533240543
Energy: 1.5667664436641637
Energy: 1.1434670834122287
Energy: 1.4746507655713903
Energy: 1.1434670834122287
Energy: 1.5657364933625344
Energy: 1.1057239506015577
Energy: 1.5721828136495772
Energy: 1.1057239506015577
Energy: 1.536829657023586
Energy: 1.1048091182556257
Energy: 1.590824073726813
Energy: 1.1048091182556257
Energy: 1.5378274524423234
Energy: 1.1040947924068767
Energy: 1.5878138897724214
Energy: 1.1040947924068767
Energy: 1.5953511230355493
Energy: 1.0822895405630863
Energy: 1.587877095253145
Energy: 1.0822895405630863
Energy: 1.5944996707281138
Energy: 1.0833735405709677
Energy: 1.6068233349267176
Energy: 1.0833735405709677
Energy: 1.5930987833223935
Energy: 1.0824798044351986
Energy: 1.6081400203778164
Energy: 1.0824798044351986
Energy: 1.592837226906021
Energy: 1.0748414798144263
Energy: 1.5894124017688036
Energy: 1.0748414798151773
Energy: 1.593385700725325
Energy: 1.0765770882632906
Energy: 1.6484802135312249
Energy: 1.0765770882632906
Energy: 1.5816916688027858
Energy: 1.0760333648714677
Energy: 1.5952764809735853
Energy: 1.0760333648714677
Energy: 1.6079176922768585
Energy: 1.0826561889446324
Energy: 1.592910085843837
Energy: 1.082656188943882
Energy: 1.6067448828013435
Energy: 1.082094118781714
Energy: 1.5945095243427088
Energy: 1.082094118781714
Energy: 1.5874722258989893
Energy: 1.0829619106324455
Energy: 1.574049212585818
Energy: 1.0829619106324455
Energy: 1.4737786238385537
Energy: 1.1050224878615367
Energy: 1.5360936382721149
Energy: 1.1050224878615367
Energy: 1.5882685201463473
Energy: 1.1043139045440045
Energy: 1.5361108775612295
Energy: 1.1043139045440045
Energy: 1.473826843002849
Energy: 1.1079842494289434
Energy: 1.5661047893163433
Energy: 1.1079842494289434
Energy: 1.4743002078993193
Energy: 1.145127023139482
Energy: 1.4264280970322956
Energy: 1.145127023139482
Energy: 1.4727434401077035
Energy: 1.1436049667037653
Energy: 1.4751933347039112
Energy: 1.1436049667037653
Energy: 1.4734671838424809
Energy: 1.2020678481330918
Energy: 1.4265544825313081
Energy: 1.2020678481330918
Energy: 1.4271096337519822
Energy: 1.2017427995367835
Energy: 1.4284532482776509
Energy: 1.2017427995367835
Energy: 1.4737360439001197
Energy: 1.2032853481994763
Energy: 1.4268634486157898
Energy: 1.2032853481994763
Energy: 1.4063973964119811
Energy: 1.2841698135962099
Energy: 1.4273164176264639
Energy: 1.2841698135962099
Energy: 1.4071749737805064
Energy: 1.2833003194076344
Energy: 1.4280269919763007
Energy: 1.2833003194076344
Energy: 1.4069303089985434
Energy: 1.2834460405927457
Energy: 1.427022389888901
Energy: 1.2834460405927457
Energy: 1.4271104678583082
Energy: 1.2836763871533141
Energy: 1.409070213201289
Energy: 1.2836763871533141
Energy: 1.430064094552243
Energy: 1.3770141772732094
Energy: 1.4415662232518363
Energy: 1.3770141772732094
Energy: 1.4080703814369053
Energy: 1.3765941175540843
Energy: 1.4424462834814347
Energy: 1.3765941175540843
Energy: 1.4066193660908746
Energy: 1.2832974843579315
Energy: 1.4278164572579928
Energy: 1.2832974843586822
Energy: 1.4412862197571559
Energy: 1.3764670304590203
Energy: 1.4098621960298694
Energy: 1.3764670304590203
Energy: 1.4421643230694063
Energy: 1.2847668016326963
Energy: 1.442063425441576
Energy: 1.2847668016349483
Energy: 1.4073514257718618
Energy: 1.3766394954690748
Energy: 1.4414433070334118
Energy: 1.3766394954698256

minimum gb energy = 1.0748414798144263 eV
minimum distance =  2.48435719863187 Angstroms
sigma value = 113


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

Energy: 0.015602002178965292
Energy: 0.016016499711384573
Energy: 1.4316148565426017
Energy: 0.016016499711384573
Energy: 0.016681456755631888
Energy: 0.10997014452428719
Energy: 0.26854700317963287
Energy: 0.10997014452428719
Energy: 0.2683215102689455
Energy: 0.10987652593516954
Energy: 0.016121382880170537
Energy: 0.10987652593516954
Energy: 0.26813496833759354
Energy: 0.11021957524881178
Energy: 0.01588397220954026
Energy: 0.11021957524881178
Energy: 0.2688228722678384
Energy: 0.11023123375476773
Energy: 0.26883018902412553
Energy: 0.11023123375476773
Energy: 0.016113076640912466
Energy: 0.11010373377257206
Energy: 0.26791991865465925
Energy: 0.11010373377257206

minimum gb energy = 0.015602002178965292 eV
minimum distance =  2.71576362190874 Angstroms
sigma value = 1