Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.242432836483997
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016431904875355237
Energy: 0.017087244095021742
Energy: 1.123493816749779
Energy: 0.017087244095021742
Energy: 0.017087244095021742
Energy: 1.212873562415643
Energy: 0.017087244095021742
Energy: 1.212873562415643
Energy: 1.1234938167503727
Energy: 0.017087244095021742
Energy: 0.016431904875355237
Energy: 0.017087244095021742
Energy: 0.017087244095021742
Energy: 1.212873562415643
Energy: 0.017087244095021742
Energy: 1.212873562415643

minimum gb energy = 0.016431904875355237 eV
minimum distance =  2.48771660872803 Angstroms
sigma value = 1


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

Energy: 0.9939254404328599
Energy: 1.097745031729393
Energy: 0.8634229222519834
Energy: 1.0977450317301554
Energy: 0.9571499339603077
Energy: 1.0882750719111465
Energy: 0.9569434836074249
Energy: 1.0882750719111465
Energy: 0.9005376213938935
Energy: 1.0848106066055616
Energy: 0.9473092394952617
Energy: 1.0848106066055616
Energy: 0.9372183947433819
Energy: 1.1064852231916864
Energy: 0.9477601958451821
Energy: 1.106485223192449
Energy: 0.9418526094326077
Energy: 1.1009164032810803
Energy: 0.9465188047934275
Energy: 1.1009164032803178
Energy: 0.8945612529204051
Energy: 1.2905269940284771
Energy: 0.9269455427213299
Energy: 1.2905269940284771
Energy: 0.9602471029558556
Energy: 1.0863152633180797
Energy: 0.8963639416697358
Energy: 1.0863152633173174
Energy: 0.8170817906341056
Energy: 1.0988002821491443
Energy: 0.9167338128996787
Energy: 1.0988002821491443
Energy: 0.9496952247133782
Energy: 0.9530665068048157
Energy: 0.9537590036181122
Energy: 0.9530665068032911
Energy: 0.9289844367450008
Energy: 1.0850819892324683
Energy: 0.8017838326749266
Energy: 1.0850819892317063
Energy: 0.9517984106363595
Energy: 1.0447312537525628
Energy: 0.948891705769069
Energy: 1.044731253753325
Energy: 0.9000658851762716
Energy: 1.0987050871902384
Energy: 0.9439078724715817
Energy: 1.0987050871910005
Energy: 0.9565878239245259
Energy: 1.0843905519869934
Energy: 0.9591118345716767
Energy: 1.0843905519869934
Energy: 0.9493691278923031
Energy: 1.0922157508626045
Energy: 0.9430328684627511
Energy: 1.092215750863367
Energy: 0.9393954784441119
Energy: 1.0983363701571118
Energy: 0.9482519385231463
Energy: 1.0983363701571118
Energy: 0.9495643061191501
Energy: 1.097561252768127
Energy: 0.9483593766361553
Energy: 1.097561252768127
Energy: 0.947819606592877
Energy: 1.0847744728866793
Energy: 0.8746912677377525
Energy: 1.0847744728859168
Energy: 0.9575491636136922
Energy: 1.0840180176828091
Energy: 0.9565946550997946
Energy: 1.0840180176828091
Energy: 0.8576144256615502
Energy: 1.0989830565242078
Energy: 0.947385208600421
Energy: 1.0989830565242078
Energy: 0.9616929927478128
Energy: 0.9528718493938813
Energy: 0.9493917632824017
Energy: 0.9528718493938813
Energy: 0.9259564510890318
Energy: 1.0846522674729282
Energy: 0.8010486412766894
Energy: 1.0846522674729282
Energy: 0.9480435006983425
Energy: 1.1072452288981842
Energy: 0.9406256870734439
Energy: 1.1072452289004713
Energy: 0.94857961264443
Energy: 1.1008354436459076
Energy: 0.8798652466994743
Energy: 1.1008354436459076
Energy: 0.935090016274469
Energy: 1.0845182445951114
Energy: 0.8955646869391061
Energy: 1.0845182445958739
Energy: 0.8960887816975182
Energy: 1.2939490520629082
Energy: 0.9595007473105612
Energy: 1.2939490520636705
Energy: 0.9377176649472241
Energy: 1.0991279619481376
Energy: 0.8806321331132234
Energy: 1.0991279619473753
Energy: 0.93924071627481
Energy: 1.0891721614728176
Energy: 0.9472642489470129
Energy: 1.0891721614728176
Energy: 0.8701527275737212
Energy: 1.0839327338582925
Energy: 0.9487650642175094
Energy: 1.0839327338582925
Energy: 0.9544292348013298
Energy: 1.0946011414191001
Energy: 0.9518121677616882
Energy: 1.094601141418338
Energy: 0.962590817414982
Energy: 1.098339754262935
Energy: 0.9001941996542064
Energy: 1.098339754262935
Energy: 0.9602373851971456
Energy: 1.0909755073702465
Energy: 0.9551777389722995
Energy: 1.0909755073702465
Energy: 0.9403169465490119
Energy: 1.0857722022787872
Energy: 0.9583458214344722
Energy: 1.0857722022795497
Energy: 0.941075332244374
Energy: 1.1060496366022046
Energy: 0.9499258057649572
Energy: 1.1060496366022046

minimum gb energy = 0.8010486412766894 eV
minimum distance =  2.28834848698389 Angstroms
sigma value = 1


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

Energy: 1.0639342611776144
Energy: 1.1839889768190106
Energy: 0.9529687379219326
Energy: 1.1839889768164034
Energy: 1.0095989507052405
Energy: 1.1212208145099876
Energy: 1.0110651066999887
Energy: 1.1212208145099876
Energy: 0.9278861005898746
Energy: 1.183272139624661
Energy: 1.0050597342889613
Energy: 1.1832721396255301
Energy: 1.0038189241168043
Energy: 1.1038453598572007
Energy: 0.9529863812236161
Energy: 1.1038453598572007
Energy: 1.0035448369727575
Energy: 1.1613249837076969
Energy: 1.010736183910565
Energy: 1.1613249837042203
Energy: 0.988796815573622
Energy: 1.1610728811592639
Energy: 0.9763567999612072
Energy: 1.1610728811583948
Energy: 1.0093651931276846
Energy: 1.1052863622547198
Energy: 0.9803956228849734
Energy: 1.1052863622547198
Energy: 0.8538800176174483
Energy: 1.1832889519922758
Energy: 0.9597051327101024
Energy: 1.1832889519905374
Energy: 1.0038111248653743
Energy: 1.0262975025632244
Energy: 1.0154749990358636
Energy: 1.0262975025649628
Energy: 1.006915699528991
Energy: 1.1836124091660964
Energy: 0.8690816755212579
Energy: 1.1836124091678346
Energy: 1.0091197228982536
Energy: 1.1049523766945915
Energy: 1.0199514924648938
Energy: 1.1049523766963298
Energy: 0.9305106213444925
Energy: 1.1720791413452338
Energy: 1.0142086365315823
Energy: 1.1720791413426261
Energy: 1.0300635435834091
Energy: 1.161786213360948
Energy: 1.0030942937632361
Energy: 1.161786213360948
Energy: 1.021233413082947
Energy: 1.1617957516927557
Energy: 0.9744279659054272
Energy: 1.1617957516936248
Energy: 0.930496864870873
Energy: 1.1716642641538466
Energy: 1.0049807743377641
Energy: 1.1716642641538466
Energy: 1.0092036796997683
Energy: 1.1049692250789949
Energy: 1.0115479465839523
Energy: 1.1049692250798642
Energy: 1.0069658110636541
Energy: 1.1833300865291978
Energy: 0.8819542727892303
Energy: 1.1833300865283285
Energy: 1.003745313452443
Energy: 1.026297445612791
Energy: 1.0156515172725493
Energy: 1.0262974456119218
Energy: 0.8538288245425437
Energy: 1.1831692370305738
Energy: 0.9600850302394667
Energy: 1.1831692370314428
Energy: 1.0091972482202518
Energy: 1.105979095675845
Energy: 0.9528354239815148
Energy: 1.105979095675845
Energy: 0.9885452929975105
Energy: 1.1613405263435193
Energy: 0.9655663004073379
Energy: 1.1613405263443883
Energy: 1.0038560593372157
Energy: 1.1610534994736146
Energy: 1.006373115274266
Energy: 1.1610534994727453
Energy: 1.00391514775149
Energy: 1.103637638149229
Energy: 0.9445416629739941
Energy: 1.1036376381518365
Energy: 0.9278251379836006
Energy: 1.1830044156823258
Energy: 1.0052445889473447
Energy: 1.1830044156823258
Energy: 1.0096113176367145
Energy: 1.121105963393798
Energy: 1.0110105941628513
Energy: 1.1211059633955365
Energy: 1.0639342611784834
Energy: 1.1839889768190106
Energy: 0.9366267326350057
Energy: 1.1839889768164034
Energy: 1.0095989507052405
Energy: 1.1212208145099876
Energy: 1.0110651066999887
Energy: 1.1212208145091185
Energy: 0.9278861005890054
Energy: 1.183272139624661
Energy: 1.020996032100095
Energy: 1.1832721396255301
Energy: 1.0038189241176736
Energy: 1.1038453598572007
Energy: 0.9552941813513979
Energy: 1.1038453598580698

minimum gb energy = 0.8538288245425437 eV
minimum distance =  2.27541696198232 Angstroms
sigma value = 25


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

Energy: 1.1321729328740633
Energy: 1.258419112456852
Energy: 0.9796045625122644
Energy: 1.258419112456852
Energy: 1.1012338877849919
Energy: 1.1878005031352952
Energy: 1.0889025757039723
Energy: 1.1878005031342846
Energy: 1.0012120290747997
Energy: 1.289590260238968
Energy: 1.093153050122415
Energy: 1.289590260238968
Energy: 1.0732706228365856
Energy: 1.2132515898785132
Energy: 1.0240079729650555
Energy: 1.2132515898785132
Energy: 1.023912486146219
Energy: 1.2571295502593216
Energy: 1.0149941018039905
Energy: 1.2571295502583113
Energy: 1.0792187942828078
Energy: 1.290424244224385
Energy: 1.0993710877526752
Energy: 1.2904242442253953
Energy: 1.1023839738901575
Energy: 1.098590200024977
Energy: 1.0583963917646373
Energy: 1.098590200024977
Energy: 1.0202961692358403
Energy: 1.2623378619434065
Energy: 0.9483819467421597
Energy: 1.2623378619434065
Energy: 1.0584324377426524
Energy: 1.1867358164637098
Energy: 1.1024979665642947
Energy: 1.1867358164637098
Energy: 1.0965846877568308
Energy: 1.2902179170748516
Energy: 1.0068080667754817
Energy: 1.290217917075862
Energy: 1.078519257713186
Energy: 1.2579159072416464
Energy: 1.0895449009269218
Energy: 1.2579159072416464
Energy: 1.0301242672623991
Energy: 1.2597495310472666
Energy: 1.0888402323622461
Energy: 1.2597495310472666
Energy: 1.0927092325911418
Energy: 1.209469844349195
Energy: 1.0068761270420032
Energy: 1.2094698443481842
Energy: 1.0575089311302588
Energy: 1.100193324738109
Energy: 1.1010382789150672
Energy: 1.100193324738109
Energy: 0.9468890341920821
Energy: 1.2582820999149569
Energy: 0.9460483754433784
Energy: 1.2582820999159672
Energy: 1.0896751653765884
Energy: 1.0985571528440035
Energy: 1.0252662559220143
Energy: 1.0985571528440035
Energy: 0.9161606566177377
Energy: 1.2894934566465808
Energy: 0.9164056118644359
Energy: 1.2894934566465808
Energy: 1.0242051528817295
Energy: 1.2584672327509556
Energy: 1.0756172869702503
Energy: 1.2584672327509556
Energy: 1.0074674281448013
Energy: 1.2138154807902226
Energy: 1.0242959838804344
Energy: 1.2138154807892119
Energy: 1.098262037165971
Energy: 1.2896760832130518
Energy: 1.0936799346864206
Energy: 1.2896760832140621
Energy: 1.1077279106692597
Energy: 1.1865744649515726
Energy: 1.0919520625127177
Energy: 1.1865744649515726
Energy: 1.1291799811400711
Energy: 1.2599705423715046
Energy: 1.0491437915616195
Energy: 1.2599705423715046
Energy: 1.100224393077031
Energy: 1.1937594942260417
Energy: 1.0888620722709457
Energy: 1.1937594942260417
Energy: 0.9993277731113143
Energy: 1.2941815401469958
Energy: 1.0970202112970466
Energy: 1.2941815401459853
Energy: 1.0892025870976678
Energy: 1.1133754504568734
Energy: 1.023616954356855
Energy: 1.1133754504568734

minimum gb energy = 0.9161606566177377 eV
minimum distance =  2.27483126432821 Angstroms
sigma value = 9


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

Energy: 1.4022779955345006
Energy: 1.3285133101255322
Energy: 1.1020482415214332
Energy: 1.3285133101267377
Energy: 1.2020860263577706
Energy: 1.3534654071483911
Energy: 1.1618568140928776
Energy: 1.3534654071483911
Energy: 1.0842203056239352
Energy: 1.2271071753012484
Energy: 1.1688871287537914
Energy: 1.2271071753024538
Energy: 1.2172349545958239
Energy: 1.372740798741548
Energy: 1.0843459162234879
Energy: 1.372740798741548
Energy: 1.1987791051210959
Energy: 1.299510932484946
Energy: 1.1066960842732374
Energy: 1.299510932484946
Energy: 1.0503462315429903
Energy: 1.2119951896124532
Energy: 1.0872053675951636
Energy: 1.211995189611248
Energy: 1.2217058487581385
Energy: 1.0373655792115357
Energy: 1.0414186285106208
Energy: 1.0373655792115357
Energy: 1.0147074326732335
Energy: 1.2113277314230424
Energy: 1.096991623784589
Energy: 1.2113277314218371
Energy: 1.2156470667103285
Energy: 1.3000294843364886
Energy: 1.1623351643720667
Energy: 1.3000294843364886
Energy: 1.2193080551653315
Energy: 1.3287155682279421
Energy: 1.1296657136822121
Energy: 1.3287155682279421
Energy: 1.0933557087833208
Energy: 1.3519851953388746
Energy: 1.2096546291151404
Energy: 1.3519851953400799
Energy: 1.2181288995184714
Energy: 1.214818106238684
Energy: 1.08392148147097
Energy: 1.2148181062374788
Energy: 1.064932402383336
Energy: 1.2267571515959532
Energy: 0.9868406136336985
Energy: 1.2267571515959532
Energy: 1.10836346753584
Energy: 1.307579275637038
Energy: 1.1922294993511822
Energy: 1.3075792756358324
Energy: 1.06482009827192
Energy: 1.226243649476468
Energy: 1.014293213512152
Energy: 1.226243649476468
Energy: 1.2160844480132489
Energy: 1.2145498645905068
Energy: 1.0369406081205992
Energy: 1.2145498645893016
Energy: 1.151756777408794
Energy: 1.3353380238734376
Energy: 1.1681947574682274
Energy: 1.3353380238734376
Energy: 1.1932217162557401
Energy: 1.3330094833067037
Energy: 1.0847266630236931
Energy: 1.3330094833054984
Energy: 1.186176566801573
Energy: 1.2436064375462528
Energy: 1.1223930367678634
Energy: 1.2436064375450475
Energy: 1.067854669203418
Energy: 1.2141229991652698
Energy: 1.0961362361772868
Energy: 1.2141229991652698
Energy: 1.2197120841900693
Energy: 1.2488239756202681
Energy: 1.088845137936389
Energy: 1.2488239756202681

minimum gb energy = 0.9868406136336985 eV
minimum distance =  2.28277264427209 Angstroms
sigma value = 25


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

Energy: 1.1218306314202326
Energy: 1.44059572242768
Energy: 1.2550667649211795
Energy: 1.4405957224261892
Energy: 1.0967489207457244
Energy: 1.4542599047227462
Energy: 1.0730557509165015
Energy: 1.4542599047212557
Energy: 1.0752212761495277
Energy: 1.4745246249181647
Energy: 1.0729186865312021
Energy: 1.4745246249181647
Energy: 1.1180912683877187
Energy: 1.4414953917126747
Energy: 1.1591159366872357
Energy: 1.4414953917126747
Energy: 1.161602497974211
Energy: 1.0938627608241922
Energy: 1.1753773813756656
Energy: 1.0938627608241922
Energy: 1.0786970082252882
Energy: 1.4711754467117923
Energy: 1.0784661627575023
Energy: 1.4711754467117923
Energy: 1.124228990557223
Energy: 1.2785786295038881
Energy: 1.073655881697837
Energy: 1.2785786295038881
Energy: 1.1595047105305625
Energy: 1.4385211731809142
Energy: 1.117043909355919
Energy: 1.4385211731809142
Energy: 1.073134088865946
Energy: 1.2881664731699272
Energy: 1.0979981220479051
Energy: 1.2881664731699272
Energy: 1.2202604368299075
Energy: 1.3125500502277792
Energy: 1.0744742394511013
Energy: 1.3125500502277792
Energy: 1.1398020998985223
Energy: 1.4406570117468747
Energy: 1.2330835467874037
Energy: 1.4406570117468747
Energy: 1.0728476163176162
Energy: 1.1299899326970517
Energy: 1.2259002405486126
Energy: 1.1299899326970517
Energy: 1.1825223370667255
Energy: 1.474840583131826
Energy: 1.0742902274131685
Energy: 1.474840583131826
Energy: 1.0737960399821516
Energy: 1.4405369587008028
Energy: 1.1197826110634452
Energy: 1.4405369587008028
Energy: 1.121455720491284
Energy: 1.4402297585825852
Energy: 1.1626805616697762
Energy: 1.440229758584076
Energy: 1.0957680949635777
Energy: 1.4752401577391578
Energy: 1.0786641207626229
Energy: 1.4752401577391578
Energy: 1.073970460191277
Energy: 1.1754640729104493
Energy: 1.2246534259927278
Energy: 1.1754640729089583

minimum gb energy = 1.0728476163176162 eV
minimum distance =  2.32008290299232 Angstroms
sigma value = 17


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

Energy: 1.3039025220104317
Energy: 1.2994639428038453
Energy: 1.3146874626207616
Energy: 1.2994639428055335
Energy: 1.2654920207199944
Energy: 1.2682927449684773
Energy: 1.1184720074418981
Energy: 1.2682927449684773
Energy: 1.1924746140713232
Energy: 1.2785342624741856
Energy: 1.11806109111389
Energy: 1.2785342624741856
Energy: 1.1217404081033928
Energy: 1.2993999435566108
Energy: 1.2618685353951016
Energy: 1.2993999435566108
Energy: 1.2407769481012165
Energy: 1.3667191344395075
Energy: 1.1844127062829122
Energy: 1.3667191344395075
Energy: 1.1428588787091885
Energy: 1.2925398776035262
Energy: 1.1712596055406483
Energy: 1.2925398776018375
Energy: 1.1249196624991311
Energy: 1.2668105116468895
Energy: 1.1234903440700634
Energy: 1.2668105116468895
Energy: 1.1727587874150478
Energy: 1.2925206705666872
Energy: 1.1365980231931136
Energy: 1.2925206705666872
Energy: 1.1445626392536477
Energy: 1.3416346396288195
Energy: 1.2270255925484443
Energy: 1.3416346396296637
Energy: 1.2854157988925636
Energy: 1.2419681672632297
Energy: 1.1188283867955342
Energy: 1.2419681672640739
Energy: 1.1253933833066494
Energy: 1.298451343576701
Energy: 1.197268943656121
Energy: 1.298451343576701
Energy: 1.1406668206831019
Energy: 1.2684699213021338
Energy: 1.1411632200856274
Energy: 1.2684699213012898
Energy: 1.2531466358427272
Energy: 1.298379627094808
Energy: 1.2986838963515321
Energy: 1.2983796270956522
Energy: 1.118194118290582
Energy: 1.456038856180141
Energy: 1.2082335877846635
Energy: 1.456038856179297
Energy: 1.2193248714547809
Energy: 1.3503332476548118
Energy: 1.1401978943871804
Energy: 1.3503332476556562
Energy: 1.1903069199888365
Energy: 1.2933759923535606
Energy: 1.172127871746308
Energy: 1.2933759923569377
Energy: 1.1234613306911079
Energy: 1.3376113479718181
Energy: 1.32722185960531
Energy: 1.337611347970974
Energy: 1.196574434415285
Energy: 1.2839477084009256
Energy: 1.1425672279303962
Energy: 1.2839477084009256
Energy: 1.276899064731316
Energy: 1.350893683984925
Energy: 1.1835461982091364
Energy: 1.350893683983275
Energy: 1.2739364066623156
Energy: 1.293088336890608
Energy: 1.1220653392869744
Energy: 1.2930883368897639
Energy: 1.1462251765365277
Energy: 1.2840815374171763
Energy: 1.192130627960564
Energy: 1.2840815374163321
Energy: 1.1228519011862705
Energy: 1.2940851355445584
Energy: 1.2868524749019745
Energy: 1.2940851355437144
Energy: 1.2495106530425675
Energy: 1.2992692216410406
Energy: 1.1198714941112686
Energy: 1.2992692216418849
Energy: 1.22877990627862
Energy: 1.3469521115790812
Energy: 1.1932884954199081
Energy: 1.3469521115799254
Energy: 1.2964824375793018
Energy: 1.2785968861329442
Energy: 1.2498216878035031
Energy: 1.2785968861337882
Energy: 1.2810878422142342
Energy: 1.3002623208486792
Energy: 1.121214570939274
Energy: 1.3002623208503679
Energy: 1.1497060059654054
Energy: 1.2925224766059271
Energy: 1.3326443119065972
Energy: 1.2925224766059271
Energy: 1.1706410552120396
Energy: 1.310496535206751
Energy: 1.193548466871439
Energy: 1.3104965352075955
Energy: 1.3268764591286528
Energy: 1.4420104473870232
Energy: 1.1243917719949348
Energy: 1.4420104473870232
Energy: 1.1369741215433486
Energy: 1.3514683927656042
Energy: 1.1973158607268883
Energy: 1.3514683927656042

minimum gb energy = 1.11806109111389 eV
minimum distance =  2.26707052837132 Angstroms
sigma value = 53


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

Energy: 1.1175685979062944
Energy: 1.1153466361260715
Energy: 1.3490802780898525
Energy: 1.1153466361260715
Energy: 1.2635375779965399
Energy: 1.228961225550781
Energy: 1.1367260247312172
Energy: 1.228961225550781
Energy: 1.118275831168711
Energy: 1.1153566086973394
Energy: 1.136618937782735
Energy: 1.1153566086973394
Energy: 1.1185590501385725
Energy: 1.1157638818457383
Energy: 1.1068471360306544
Energy: 1.1157638818437947
Energy: 1.263644420638661
Energy: 1.2289094495178194
Energy: 1.1559828632602531
Energy: 1.228909449519763
Energy: 1.1175685979062944
Energy: 1.1153466361260715
Energy: 1.2522692621861167
Energy: 1.1153466361260715
Energy: 1.2635375779965399
Energy: 1.228961225550781
Energy: 1.2123672927510947
Energy: 1.228961225550781
Energy: 1.118275831168711
Energy: 1.1153566086973394
Energy: 1.1067526468984428
Energy: 1.1153566086973394
Energy: 1.1185590501385725
Energy: 1.1157638818457383
Energy: 1.1367282840110684
Energy: 1.1157638818437947
Energy: 1.2636444206367174
Energy: 1.228909449519763
Energy: 1.261285316552202
Energy: 1.2289094495217066
Energy: 1.1175685979062944
Energy: 1.1153466361260715
Energy: 1.2057826096012296
Energy: 1.1153466361260715
Energy: 1.2635375779965399
Energy: 1.228961225550781
Energy: 1.2069831656962033
Energy: 1.228961225550781
Energy: 1.118275831168711
Energy: 1.1153566086973394
Energy: 1.2689638393907237
Energy: 1.1153566086973394

minimum gb energy = 1.1067526468984428 eV
minimum distance =  2.30877063080159 Angstroms
sigma value = 9


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

Energy: 1.2311730818332973
Energy: 1.2609512777412395
Energy: 1.434532772873879
Energy: 1.2609512777426781
Energy: 1.3430705520711843
Energy: 1.2450669651198158
Energy: 1.1974231768876826
Energy: 1.2450669651198158
Energy: 1.1470305530721427
Energy: 1.2116944165550576
Energy: 1.163820759070668
Energy: 1.2116944165550576
Energy: 1.2051366476832683
Energy: 1.530828674292966
Energy: 1.1576814397847737
Energy: 1.530828674292966
Energy: 1.2509245411465497
Energy: 1.274597922220846
Energy: 1.1750898502338745
Energy: 1.274597922219407
Energy: 1.2135360451326607
Energy: 1.211469924766441
Energy: 1.1997437577497347
Energy: 1.2114699247657217
Energy: 1.377286554199102
Energy: 1.266928543916295
Energy: 1.2092532684256665
Energy: 1.266928543916295
Energy: 1.1628021568230367
Energy: 1.5354584033618128
Energy: 1.2676435068157004
Energy: 1.5354584033625325
Energy: 1.1503518021746701
Energy: 1.545620948976604
Energy: 1.2210306682406753
Energy: 1.5456209489780426
Energy: 1.148469104536733
Energy: 1.2403680535193053
Energy: 1.1986333702422818
Energy: 1.2403680535185861
Energy: 1.1651410714141748
Energy: 1.2215507339876859
Energy: 1.3144535869657454
Energy: 1.2215507339884049
Energy: 1.3339938534308455
Energy: 1.3411578236525032
Energy: 1.152673611321844
Energy: 1.341157823650345
Energy: 1.1495295785907864
Energy: 1.2397766612750418
Energy: 1.2958135596909046
Energy: 1.2397766612743224
Energy: 1.210888857438157
Energy: 1.5382964942523332
Energy: 1.2375611366121253
Energy: 1.538296494253772
Energy: 1.2104417652084514
Energy: 1.3783722016896536
Energy: 1.2298882426414426
Energy: 1.3783722016910922
Energy: 1.15338222052371
Energy: 1.5457415479802321
Energy: 1.195222247817972
Energy: 1.5457415479802321
Energy: 1.2070241750971473
Energy: 1.3780671627503167
Energy: 1.1643787202875582
Energy: 1.3780671627495975
Energy: 1.1682742798922376
Energy: 1.2676480655790812
Energy: 1.3134179356191173
Energy: 1.2676480655783622
Energy: 1.3176617850466663
Energy: 1.24083028012547
Energy: 1.2161147472488136
Energy: 1.2408302801233118
Energy: 1.1920592547641171
Energy: 1.2582759653384699
Energy: 1.2282019629822438
Energy: 1.258275965339189
Energy: 1.2115032422791239
Energy: 1.5293474643540903
Energy: 1.2074710199134102
Energy: 1.5293474643540903
Energy: 1.22793597297016
Energy: 1.2828404025482694
Energy: 1.1481259671180013
Energy: 1.2828404025489886
Energy: 1.2197370179813933
Energy: 1.403628351935589
Energy: 1.1503984231344153
Energy: 1.4036283519370276
Energy: 1.3730259025613387
Energy: 1.2047085990349005
Energy: 1.1625075566950316
Energy: 1.2047085990363393
Energy: 1.1972518769978067
Energy: 1.3397695129519527
Energy: 1.4180512175285707
Energy: 1.3397695129526717
Energy: 1.1791623002688758
Energy: 1.2115498813426235
Energy: 1.1478943389564487
Energy: 1.2115498813433425
Energy: 1.2324174517881685
Energy: 1.380156281736402
Energy: 1.2046894769527996
Energy: 1.3801562817356825
Energy: 1.2520809620263003
Energy: 1.530745571364129
Energy: 1.2054379795497774
Energy: 1.530745571364129
Energy: 1.202007122580562
Energy: 1.2116604257635795
Energy: 1.1465030055915553
Energy: 1.2116604257642987
Energy: 1.1967678312572163
Energy: 1.3436363834778706
Energy: 1.4198635731907334
Energy: 1.34363638347859
Energy: 1.3791946781710303
Energy: 1.205953289865918
Energy: 1.161840797713837
Energy: 1.2059532898651986
Energy: 1.197241078612989
Energy: 1.2698813907214501
Energy: 1.1479436587369172
Energy: 1.2698813907214501
Energy: 1.1978629110606807
Energy: 1.2836354081050871
Energy: 1.1472961100002341
Energy: 1.2836354081050871
Energy: 1.2028111693196981
Energy: 1.5308041539095876
Energy: 1.2046323292606829
Energy: 1.5308041539088681
Energy: 1.1641367290410736
Energy: 1.414231328617313
Energy: 1.3768520763714356
Energy: 1.414231328617313

minimum gb energy = 1.1465030055915553 eV
minimum distance =  2.27741559862685 Angstroms
sigma value = 73


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

Energy: 1.2652215310619415
Energy: 1.2657501212191815
Energy: 1.290943887132616
Energy: 1.2657501212191815
Energy: 1.3038226372722599
Energy: 1.3377018065843311
Energy: 1.211012363256947
Energy: 1.3377018065854724
Energy: 1.1658927199222762
Energy: 1.2085948450251705
Energy: 1.1853683759815878
Energy: 1.2085948450251705
Energy: 1.1264934587640523
Energy: 1.430330287001943
Energy: 1.1901995810633879
Energy: 1.4303302870008017
Energy: 1.1730644266512744
Energy: 1.3104401750963675
Energy: 1.1869245611343453
Energy: 1.3104401750963675
Energy: 1.1975208516583051
Energy: 1.2549442899981949
Energy: 1.2188355114763039
Energy: 1.2549442899993362
Energy: 1.4000554157160683
Energy: 1.3528880767051916
Energy: 1.1589204890136684
Energy: 1.3528880767051916
Energy: 1.1552288488170988
Energy: 1.2311220427364133
Energy: 1.3700609492931832
Energy: 1.2311220427375547
Energy: 1.2899798937710265
Energy: 1.2323514668275237
Energy: 1.2298756085549785
Energy: 1.2323514668275237
Energy: 1.1618835244427481
Energy: 1.253636907158112
Energy: 1.1618562508871642
Energy: 1.2536369071569706
Energy: 1.151935507241398
Energy: 1.2321947986399824
Energy: 1.258085749524239
Energy: 1.2321947986411237
Energy: 1.269971817235472
Energy: 1.4282041630018103
Energy: 1.1258988384221043
Energy: 1.4282041630029516
Energy: 1.1902321531582973
Energy: 1.300391646166816
Energy: 1.3673885352130684
Energy: 1.300391646166816
Energy: 1.2813406703229937
Energy: 1.4080155362007798
Energy: 1.1964769215484847
Energy: 1.4080155362007798
Energy: 1.124308758367436
Energy: 1.4110573890436862
Energy: 1.3742102027931984
Energy: 1.4110573890448275
Energy: 1.257549048335151
Energy: 1.2311942695784168
Energy: 1.1555487128652377
Energy: 1.2311942695772755
Energy: 1.2703413873940637
Energy: 1.2674330432827383
Energy: 1.166188728111831
Energy: 1.2674330432827383
Energy: 1.2174835908080432
Energy: 1.4212480615001037
Energy: 1.1618406432032524
Energy: 1.4212480614989624
Energy: 1.1224095571046946
Energy: 1.231161941523588
Energy: 1.154544901163034
Energy: 1.2311619415247292
Energy: 1.2110416385666252
Energy: 1.2882064720512374
Energy: 1.4435723409564685
Energy: 1.288206472058059
Energy: 1.3058365765662956
Energy: 1.2430975323058882
Energy: 1.196010505299758
Energy: 1.2430975323058882
Energy: 1.2068550522611894
Energy: 1.3082017619116142
Energy: 1.284800969241313
Energy: 1.3082017619116142

minimum gb energy = 1.1224095571046946 eV
minimum distance =  2.28856394425222 Angstroms
sigma value = 7


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

Energy: 1.266554994966601
Energy: 1.2623859093979954
Energy: 1.432410790109262
Energy: 1.2623859093963814
Energy: 1.3521769194950046
Energy: 1.204855249516658
Energy: 1.2054935252189558
Energy: 1.204855249515044
Energy: 1.1778686326750545
Energy: 1.4679888318932846
Energy: 1.1676503258491977
Energy: 1.4679888318924774
Energy: 1.1426666068982445
Energy: 1.3370434765854926
Energy: 1.207065684964778
Energy: 1.3370434765830717
Energy: 1.1831996752930105
Energy: 1.2888286546551497
Energy: 1.1744845265269266
Energy: 1.2888286546575707
Energy: 1.181108992244285
Energy: 1.2628656505770453
Energy: 1.2738379716976314
Energy: 1.2628656505770453
Energy: 1.3861290642193282
Energy: 1.4364442641009247
Energy: 1.1615914940735261
Energy: 1.4364442641122228
Energy: 1.1807463468762553
Energy: 1.2630629677937522
Energy: 1.4097466021691742
Energy: 1.2630629677945593
Energy: 1.2900070835296396
Energy: 1.3165276257761729
Energy: 1.2033666654186221
Energy: 1.3165276257761729
Energy: 1.179451525113066
Energy: 1.2963928517759036
Energy: 1.2697745015239632
Energy: 1.2963928517775176
Energy: 1.148102777589936
Energy: 1.4671112986037913
Energy: 1.161705597226085
Energy: 1.4671112986005632
Energy: 1.232780058801026
Energy: 1.2895481242061666
Energy: 1.1583507209694468
Energy: 1.2895481242069737
Energy: 1.2317347354268113
Energy: 1.2647346382550768
Energy: 1.162024029932872
Energy: 1.2647346382550768
Energy: 1.1680890325291133
Energy: 1.2472745894843458
Energy: 1.1576598463095957
Energy: 1.2472745894843458
Energy: 1.1809029607109711
Energy: 1.3747688869000354
Energy: 1.3871270254113655
Energy: 1.3747688869008425
Energy: 1.3365883733536783
Energy: 1.2471353472691924
Energy: 1.1994379899345982
Energy: 1.2471353472708067
Energy: 1.1817782151724494
Energy: 1.289454831604723
Energy: 1.3236712561791815
Energy: 1.289454831607951
Energy: 1.181734852795088
Energy: 1.2488641132576292
Energy: 1.1581252090866214
Energy: 1.2488641132568221
Energy: 1.180512057153424
Energy: 1.2630495541424052
Energy: 1.1618908053332433
Energy: 1.2630495541432123
Energy: 1.179356067106785
Energy: 1.288821074125695
Energy: 1.1586647636539398
Energy: 1.2888210741265018
Energy: 1.1474360289200474
Energy: 1.4206950527182562
Energy: 1.2034082562477832
Energy: 1.420695052715835
Energy: 1.1799690227933763
Energy: 1.4609880443474128
Energy: 1.349695451305094
Energy: 1.4609880443466057
Energy: 1.336604684232043
Energy: 1.4318446188738891
Energy: 1.1613743553827782
Energy: 1.4318446188698541
Energy: 1.2696795496365334
Energy: 1.2630441298751531
Energy: 1.2656167645653822
Energy: 1.2630441298759603
Energy: 1.2133483618887992
Energy: 1.2894882937184282
Energy: 1.1618497618648738
Energy: 1.2894882937184282
Energy: 1.1419488657120294
Energy: 1.4655004222386627
Energy: 1.166534710921342
Energy: 1.4655004222402765
Energy: 1.1805742198004565
Energy: 1.2965067682552298
Energy: 1.245308382277745
Energy: 1.2965067682544227
Energy: 1.143085799100617
Energy: 1.2893839533278137
Energy: 1.2056871725543405
Energy: 1.2893839533286207
Energy: 1.17703689178028
Energy: 1.2628961658955271
Energy: 1.2378595042753116
Energy: 1.262896165897141
Energy: 1.4033399178324915
Energy: 1.2267362230644123
Energy: 1.206033182870529
Energy: 1.2267362230644123
Energy: 1.177030298263629
Energy: 1.2629423141273892
Energy: 1.3580134590245412
Energy: 1.2629423141281961

minimum gb energy = 1.1419488657120294 eV
minimum distance =  2.27342438607399 Angstroms
sigma value = 29


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

Energy: 1.1917863512367206
Energy: 1.1973736716767065
Energy: 1.082161270862608
Energy: 1.1973736716769874
Energy: 1.1266731028362804
Energy: 1.2122959026379958
Energy: 1.214874864833466
Energy: 1.2122959026374336
Energy: 1.0796042049137615
Energy: 1.2808429359466085
Energy: 1.1255027120990813
Energy: 1.2808429359468896
Energy: 1.2130657134224752
Energy: 1.2372271995289992
Energy: 1.214561831990563
Energy: 1.2372271995287178
Energy: 1.1901847868078508
Energy: 1.2693556477713894
Energy: 1.1197168719531185
Energy: 1.2693556477713894
Energy: 1.0804965649881058
Energy: 1.307087819079376
Energy: 1.0802462208432577
Energy: 1.3070878190790949
Energy: 1.079957821850072
Energy: 1.2693018593388563
Energy: 1.1900568942928165
Energy: 1.2693018593382939
Energy: 1.214722867910854
Energy: 1.2374629647923936
Energy: 1.2128133983894305
Energy: 1.2374629647923936
Energy: 1.1242649370447617
Energy: 1.2810028363053616
Energy: 1.1247412811345054
Energy: 1.281002836305643

minimum gb energy = 1.0796042049137615 eV
minimum distance =  2.30324504797158 Angstroms
sigma value = 5


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

Energy: 1.1496087845308902
Energy: 1.1710199109674824
Energy: 1.0854063200953237
Energy: 1.17101991096672
Energy: 1.396607275386052
Energy: 1.1258435832447184
Energy: 1.095862151670814
Energy: 1.1258435832424314
Energy: 1.0842286181223273
Energy: 1.1535022547692815
Energy: 1.278388459792334
Energy: 1.1535022547700438
Energy: 1.0791159940394075
Energy: 1.2065400323288493
Energy: 1.1249632534563392
Energy: 1.2065400323280868
Energy: 1.1100722292369976
Energy: 1.2144331795247527
Energy: 1.2750271158150623
Energy: 1.2144331795255154
Energy: 1.1160913207602075
Energy: 1.1732916033831333
Energy: 1.1017993016246497
Energy: 1.1732916033831333
Energy: 1.084880078522304
Energy: 1.2138836821094605
Energy: 1.0867580500857943
Energy: 1.2138836821109853
Energy: 1.0856729476944693
Energy: 1.1738927089827602
Energy: 1.0907453631786026
Energy: 1.1738927089835227
Energy: 1.1124262987041633
Energy: 1.2131852405232497
Energy: 1.0767969011257001
Energy: 1.2131852405232497
Energy: 1.1127009677681174
Energy: 1.2157917636325917
Energy: 1.071532229582134
Energy: 1.2157917636325917
Energy: 1.0949424690977376
Energy: 1.2030385493380644
Energy: 1.0881025146511152
Energy: 1.2030385493365396
Energy: 1.0868477519913986
Energy: 1.142786889150346
Energy: 1.1747390571384644
Energy: 1.1427868891518707
Energy: 1.1219883125627195
Energy: 1.1718872944797845
Energy: 1.1704481592972122
Energy: 1.1718872944797845
Energy: 1.1123469195620834
Energy: 1.171555113199043
Energy: 1.380370953778535
Energy: 1.171555113199043
Energy: 1.3076273983793056
Energy: 1.1153039764821742
Energy: 1.0880929235646466
Energy: 1.1153039764829364
Energy: 1.1228382009425169
Energy: 1.1531674814217954
Energy: 1.10085892886018
Energy: 1.1531674814217954
Energy: 1.275288751384844
Energy: 1.1396775194012188
Energy: 1.1014661305426066
Energy: 1.1396775194027435
Energy: 1.112099887361244
Energy: 1.17190498010826
Energy: 1.172332870062785
Energy: 1.1719049801074979
Energy: 1.1090392641638995
Energy: 1.2179464538823888
Energy: 1.0968478054202782
Energy: 1.2179464538823888
Energy: 1.0848386581937421
Energy: 1.2321849704642236
Energy: 1.1251091923318177
Energy: 1.232184970462699
Energy: 1.0721293172856126
Energy: 1.1994608175871804
Energy: 1.1219132588405103
Energy: 1.1994608175871804
Energy: 1.1114722521728897
Energy: 1.2137623656652892
Energy: 1.1111668291363614
Energy: 1.2137623656652892
Energy: 1.0988264447012843
Energy: 1.1729434475597367
Energy: 1.0721957468707173
Energy: 1.172943447560499
Energy: 1.1739209458572686
Energy: 1.2036564649757655
Energy: 1.085060043831258
Energy: 1.2036564649757655
Energy: 1.1804953969250112
Energy: 1.157169353833703
Energy: 1.0939010682203811
Energy: 1.1571693538344656
Energy: 1.1489691931352657
Energy: 1.1719332061846763
Energy: 1.1118441101939842
Energy: 1.1719332061839138
Energy: 1.0977727814023974
Energy: 1.1000405122304453
Energy: 1.1319442152944037
Energy: 1.1000405122304453
Energy: 1.1070474887534134
Energy: 1.2078302742956026
Energy: 1.1228038857780962
Energy: 1.2078302742956026
Energy: 1.0954496676004948
Energy: 1.125793454603595
Energy: 1.4342386973671784
Energy: 1.125793454603595
Energy: 1.2391494690727087
Energy: 1.1717900616727372
Energy: 1.1120641017738326
Energy: 1.1717900616727372
Energy: 1.101039500885848
Energy: 1.1356202055128075
Energy: 1.2661579694902103
Energy: 1.1356202055128075
Energy: 1.2735127778581183
Energy: 1.1569343695914147
Energy: 1.0874491358378862
Energy: 1.1569343695906527
Energy: 1.1239179725458333
Energy: 1.2034669913969949
Energy: 1.0763468297383838
Energy: 1.2034669913947078

minimum gb energy = 1.071532229582134 eV
minimum distance =  2.29707452789224 Angstroms
sigma value = 1


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

Energy: 1.113783796117854
Energy: 1.1104564528559684
Energy: 1.126572916772658
Energy: 1.1104564528559684
Energy: 1.3339076506313554
Energy: 1.055930276737006
Energy: 1.0624259335494983
Energy: 1.055930276737006
Energy: 1.0189881710348019
Energy: 1.1111609995819491
Energy: 1.47861606901362
Energy: 1.1111609995840095
Energy: 1.070274352190455
Energy: 1.1632936399327154
Energy: 1.0607917093462995
Energy: 1.1632936399316611
Energy: 1.0198867376655478
Energy: 1.206294361081695
Energy: 1.2841364930981471
Energy: 1.206294361079587
Energy: 1.0225121045411527
Energy: 1.1579147167821338
Energy: 1.060984197511795
Energy: 1.1579147167800259
Energy: 1.020755332826292
Energy: 1.2101914762973327
Energy: 1.0775544995752873
Energy: 1.2101914762973327
Energy: 1.0204922741410714
Energy: 1.1140030053893764
Energy: 1.078174515220189
Energy: 1.1140030053893764
Energy: 1.1168694908844223
Energy: 1.108490880315308
Energy: 1.0768077169509822
Energy: 1.1084908803163618
Energy: 1.1078869821991082
Energy: 1.108380108880328
Energy: 1.080311770109767
Energy: 1.1083801088813818
Energy: 1.0205474724775598
Energy: 1.1139322854513654
Energy: 1.0708118439737133
Energy: 1.1139322854513654
Energy: 1.0200742223716979
Energy: 1.210344976610603
Energy: 1.0803770837561673
Energy: 1.210344976610603
Energy: 1.0226156526407
Energy: 1.1578627588102066
Energy: 1.061210139407216
Energy: 1.1578627588102066
Energy: 1.0197573116874756
Energy: 1.2054011028269385
Energy: 1.2132002552885204
Energy: 1.2054011028258846
Energy: 1.0702168589089505
Energy: 1.16311309372218
Energy: 1.060818333544029
Energy: 1.16311309372218
Energy: 1.0187809864128425
Energy: 1.1111768761541971
Energy: 1.074495316218023
Energy: 1.111176876153143
Energy: 1.3339637314565636
Energy: 1.0559583177464587
Energy: 1.0628215569468717
Energy: 1.0559583177454048
Energy: 1.113783796117854
Energy: 1.1104564528559684
Energy: 1.0460748271093732
Energy: 1.1104564528559684
Energy: 1.3339076506313554
Energy: 1.055930276737006
Energy: 1.0624259335494983
Energy: 1.055930276737006
Energy: 1.0189881710348019
Energy: 1.1111609995819491
Energy: 1.478616069014674
Energy: 1.1111609995830032
Energy: 1.0702743521894011
Energy: 1.1632936399327154
Energy: 1.0607917093452455
Energy: 1.1632936399327154
Energy: 1.0198867376666019
Energy: 1.206294361081695
Energy: 1.2841364930992012
Energy: 1.206294361079587
Energy: 1.0225121045411527
Energy: 1.1579147167800259
Energy: 1.060984197511795
Energy: 1.1579147167800259
Energy: 1.020755332826292
Energy: 1.2101914762973327
Energy: 1.072594086639659
Energy: 1.2101914762973327

minimum gb energy = 1.0187809864128425 eV
minimum distance =  2.30325813309934 Angstroms
sigma value = 17


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

Energy: 1.088570572658495
Energy: 1.0856661624872175
Energy: 1.2643217012933445
Energy: 1.085666162486566
Energy: 1.315054767977253
Energy: 1.068803434897016
Energy: 1.036013251861727
Energy: 1.0688034348963644
Energy: 1.0362744130055273
Energy: 1.0679206529611864
Energy: 1.3153161003698566
Energy: 1.067920652960535
Energy: 1.0582970260427604
Energy: 1.250545549899107
Energy: 1.032562113837047
Energy: 1.2505455498984555
Energy: 1.0177576943663345
Energy: 1.1484876924253746
Energy: 1.3163282356550414
Energy: 1.148487692426026
Energy: 1.006686448720841
Energy: 1.269304061105629
Energy: 1.053834511695745
Energy: 1.2693040611049775
Energy: 1.0359027701953079
Energy: 1.1271710456933588
Energy: 1.0941837603401439
Energy: 1.1271710456933588
Energy: 1.0173384806519703
Energy: 1.278701594908696
Energy: 1.0166494202449778
Energy: 1.278701594907393
Energy: 1.0802209976172912
Energy: 1.2794756419563307
Energy: 1.0584867345940574
Energy: 1.279475641955028
Energy: 1.0843719269572405
Energy: 1.110862576494119
Energy: 1.0362444332062561
Energy: 1.1108625764947704
Energy: 1.0369772345168804
Energy: 1.249422455734441
Energy: 1.017718903815856
Energy: 1.249422455735744
Energy: 1.03901980215922
Energy: 1.1182651060611775
Energy: 1.0194706785840038
Energy: 1.1182651060611775
Energy: 1.0054605561949004
Energy: 1.2675671663038972
Energy: 1.0345501773731267
Energy: 1.2675671663025945
Energy: 1.0179125541941134
Energy: 1.147537734262016
Energy: 1.1129710910597008
Energy: 1.1475377342600617
Energy: 1.0205143603794002
Energy: 1.2592478239744433
Energy: 1.0941678227316372
Energy: 1.259247823975746
Energy: 1.036286305920359
Energy: 1.06818654491596
Energy: 1.312636363076643
Energy: 1.06818654491596
Energy: 1.0473405485664449
Energy: 1.2610975211504551
Energy: 1.0338994683801943
Energy: 1.2610975211498037
Energy: 1.0316371926931323
Energy: 1.0858350304130302
Energy: 1.0328856209404118
Energy: 1.0858350304130302
Energy: 1.205109534026081
Energy: 1.120265715159293
Energy: 1.0368857164551435
Energy: 1.120265715161899
Energy: 1.0540571907296563
Energy: 1.067672087702867
Energy: 1.1968095996113008
Energy: 1.067672087701564
Energy: 1.4558528209471076
Energy: 1.0582971441027373
Energy: 1.0344354290924214
Energy: 1.0582971441014344
Energy: 1.0349163829036367
Energy: 1.086525070936337
Energy: 1.3233138934566577
Energy: 1.0865250709356855
Energy: 1.1888128607858288
Energy: 1.049961698427131
Energy: 1.0535544710119344
Energy: 1.049961698428434
Energy: 1.0373344934944162
Energy: 1.1284380120765194
Energy: 1.220691084825893
Energy: 1.1284380120765194
Energy: 1.046455203307554
Energy: 1.0868796769357973
Energy: 1.031857972587875
Energy: 1.0868796769344944
Energy: 1.0354806721233132
Energy: 1.1492637421141443
Energy: 1.051086982882129
Energy: 1.1492637421121898
Energy: 1.1798137162433666
Energy: 1.10253633402085
Energy: 1.0371961186624552
Energy: 1.102536334022153
Energy: 1.0975907654849317
Energy: 1.2592809805865322
Energy: 1.019181711691135
Energy: 1.2592809805871836
Energy: 1.1098182969870796
Energy: 1.1471543688641033
Energy: 1.0188507453306124
Energy: 1.1471543688621488
Energy: 1.0357396859007846
Energy: 1.2671485219957719
Energy: 1.0610142184405245
Energy: 1.2671485220016352
Energy: 1.0190449194953437
Energy: 1.147171576411011
Energy: 1.0376590796021672
Energy: 1.1471715764116626
Energy: 1.0188748108444599
Energy: 1.2506243870970806
Energy: 1.0347308618031494
Energy: 1.2506243870970806
Energy: 1.0373878554404252
Energy: 1.1105538715174998
Energy: 1.2141723026444666
Energy: 1.1105538715155456
Energy: 1.0631045186116899
Energy: 1.2823192448043224
Energy: 1.0566189071482963
Energy: 1.2823192448043224
Energy: 1.0171865670722178
Energy: 1.0869004451204773
Energy: 1.0509539704553839
Energy: 1.0869004451198259
Energy: 1.0882991906038042
Energy: 1.1285093366429548
Energy: 1.0347309802513487
Energy: 1.1285093366436063
Energy: 1.0532189834129149
Energy: 1.26999202162756
Energy: 1.0056955867689408
Energy: 1.269992021628863
Energy: 1.3156832499242057
Energy: 1.1487322615399598
Energy: 1.0346811948731975
Energy: 1.1487322615399598

minimum gb energy = 1.0054605561949004 eV
minimum distance =  2.29433879667788 Angstroms
sigma value = 89


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

Energy: 0.947811225978626
Energy: 0.945589856889014
Energy: 0.9317048690642824
Energy: 0.945589856889014
Energy: 0.9503686427559895
Energy: 0.9868093975465464
Energy: 0.9537080144858213
Energy: 0.9868093975465464
Energy: 0.9524701499116868
Energy: 1.1172713866674213
Energy: 1.3764375857084177
Energy: 1.117271386669126
Energy: 0.9229261462206129
Energy: 0.9869035383941542
Energy: 0.9536372342861815
Energy: 0.9869035383941542
Energy: 0.9526474314609477
Energy: 1.0307108852804308
Energy: 1.5793284856653664
Energy: 1.0307108852804308
Energy: 0.9495211251728084
Energy: 0.9470208802388277
Energy: 0.9508434664055161
Energy: 0.9470208802388277
Energy: 0.9530317223935889
Energy: 1.1173530731190986
Energy: 0.954145208998922
Energy: 1.1173530731190986
Energy: 0.9083885830395427
Energy: 1.1157459918029748
Energy: 0.9531953128801155
Energy: 1.1157459917961565
Energy: 0.950643536101717
Energy: 1.031311012916562
Energy: 0.9154688238195451
Energy: 1.031311012916562
Energy: 0.987987625851377
Energy: 1.0248806102484742
Energy: 0.9481211943613108
Energy: 1.0248806102484742
Energy: 0.9429226922543572
Energy: 0.9878722811621153
Energy: 0.9535763555143192
Energy: 0.9878722811621153
Energy: 0.9429525457489915
Energy: 1.1205640886393589
Energy: 0.9530211284416946
Energy: 1.1205640886393589
Energy: 0.9487031494980769
Energy: 0.9483825221753073
Energy: 0.9230476549359836
Energy: 0.948382522176973
Energy: 0.9502191512216427
Energy: 1.0292789987933764
Energy: 0.9497443940954974
Energy: 1.0292789987933764
Energy: 0.9072393006199626
Energy: 0.9484005543524995
Energy: 0.9490888692234998
Energy: 0.9484005543524995

minimum gb energy = 0.9072393006199626 eV
minimum distance =  2.31608883061915 Angstroms
sigma value = 13


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

Energy: 0.9217895566209574
Energy: 0.8795894602849691
Energy: 1.1302102036944173
Energy: 0.8795894602863981
Energy: 1.3721854319856959
Energy: 0.9070948382328357
Energy: 0.8632851382962501
Energy: 0.9070948382378369
Energy: 0.8820339793178912
Energy: 0.8801590336764593
Energy: 1.3117756169154022
Energy: 0.8801590336800317
Energy: 0.8880239424041877
Energy: 0.9071262029212462
Energy: 0.8598634085007071
Energy: 0.9071262029241041
Energy: 0.8897914533798149
Energy: 0.9430308340147492
Energy: 0.8899930349526515
Energy: 0.9430308340104625
Energy: 0.8682480905331477
Energy: 0.9075920426728676
Energy: 0.8947702662775548
Energy: 0.9075920426721531
Energy: 0.8898617749564867
Energy: 0.9495751563589061
Energy: 1.2114966071134277
Energy: 0.9495751563624784
Energy: 0.8478163705989988
Energy: 0.9079110657351683
Energy: 0.8945517029146008
Energy: 0.9079110665899907
Energy: 0.8899872334644839
Energy: 0.9484721012662194
Energy: 1.050820959376731
Energy: 0.9484721012662194
Energy: 1.064744568577523
Energy: 0.969227421436893
Energy: 0.8600375000122837
Energy: 0.969227421436893
Energy: 0.8899221610594583
Energy: 0.9699870536339883
Energy: 0.8671379780126532
Energy: 0.9699870536375605
Energy: 1.2064514636746329
Energy: 0.969135368433389
Energy: 0.8592023374760431
Energy: 0.9691353684341034
Energy: 0.929041946302971
Energy: 0.8996792372125122
Energy: 0.8619369098285397
Energy: 0.8996792372146556
Energy: 1.231724652511445
Energy: 0.9693794483413197
Energy: 0.8592871246613812
Energy: 0.9693794483427486
Energy: 0.8900603826371396
Energy: 0.8801366879708631
Energy: 0.8589337298653978
Energy: 0.8801366879680051
Energy: 0.887276583129302
Energy: 0.969943004857485
Energy: 0.8614379326356919
Energy: 0.9699430048632006
Energy: 0.8810967548485756
Energy: 0.8790952649574096
Energy: 0.863937962786526
Energy: 0.8790952649602676
Energy: 0.8782953568219636
Energy: 0.9460225764867332
Energy: 0.9019569299591493
Energy: 0.9460225764824465
Energy: 0.8812228184320816
Energy: 0.946789040178683
Energy: 0.9022124206064116
Energy: 0.9467890401779685
Energy: 0.8812547709394506
Energy: 0.9464652815325665
Energy: 0.9022766205647164
Energy: 0.9464652815339955
Energy: 0.8782760643145733
Energy: 0.9461365797976253
Energy: 0.9023422185802279
Energy: 0.9461365797997687
Energy: 0.8811305622799083
Energy: 0.8789685429880373
Energy: 0.8639923500027226
Energy: 0.8789685430094711
Energy: 0.8871581397279724
Energy: 0.9698111926959402
Energy: 0.8620618355490773
Energy: 0.9698111926959402
Energy: 0.890049659744289
Energy: 0.8802297293897701
Energy: 0.8547001136751764
Energy: 0.8802297293876268
Energy: 1.2319053559759225
Energy: 0.9694477445745754
Energy: 0.8591913965738266
Energy: 0.9694477445731465
Energy: 0.9290699358084903
Energy: 0.8997406890699282
Energy: 0.8677761246824381
Energy: 0.8997406890713572
Energy: 1.206753667776335
Energy: 0.9692320245817102
Energy: 0.8593324497475094
Energy: 0.9692320245852826
Energy: 0.8899482470612442
Energy: 0.970077865704494
Energy: 0.8673599310242273
Energy: 0.970077865704494
Energy: 1.0639674201073652
Energy: 0.9692880395243182
Energy: 0.8600134661236016
Energy: 0.9692880395236037
Energy: 0.8899900679805599
Energy: 0.9486495099492295
Energy: 1.1871222676072666
Energy: 0.9486495099478005
Energy: 0.8528641395912915
Energy: 0.9079191998079774
Energy: 0.8945138287781793
Energy: 0.9079191998115498
Energy: 0.8900802049027322
Energy: 0.9496306916255964
Energy: 1.3452902884941116
Energy: 0.9496306916298833
Energy: 0.8679939095511162
Energy: 0.9077624720257406
Energy: 0.894596825120503
Energy: 0.9077624720214539
Energy: 0.8897593175462227
Energy: 0.9431620944152351
Energy: 0.8776883522906823
Energy: 0.9431620944173784
Energy: 0.8883314852664321
Energy: 0.9069970429066097
Energy: 0.8598539831418983
Energy: 0.9069970429080385

minimum gb energy = 0.8478163705989988 eV
minimum distance =  2.32779024874371 Angstroms
sigma value = 37


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

Energy: 0.8394188150576335
Energy: 0.8370960708910555
Energy: 0.7406786762701127
Energy: 0.8370960708910555
Energy: 1.3629454418953901
Energy: 0.8362883421075918
Energy: 0.7737689410777642
Energy: 0.8362883421075918
Energy: 0.7893140610992577
Energy: 0.9372782640776356
Energy: 1.0845685916320529
Energy: 0.9372782640776356
Energy: 0.7725488447853605
Energy: 0.8363088461244927
Energy: 0.7741926913443978
Energy: 0.8363088461244927
Energy: 0.7734328975854416
Energy: 0.8362902939953792
Energy: 0.7692833070914711
Energy: 0.8362902939953792
Energy: 0.7472715659452723
Energy: 0.8362742658230196
Energy: 0.7711327582189794
Energy: 0.8362742658230196
Energy: 0.7734146376789532
Energy: 0.8806163636149658
Energy: 1.0820421660972201
Energy: 0.880616363616195
Energy: 0.7714467880821898
Energy: 0.8378372617218531
Energy: 0.8417023673810302
Energy: 0.8378372617218531
Energy: 0.7731097053900339
Energy: 0.8362225127713361
Energy: 1.0820075997705605
Energy: 0.8362225127701068
Energy: 1.1272292975928289
Energy: 0.9263743416607627
Energy: 0.7713128763877847
Energy: 0.926374341661992
Energy: 0.7940868091648524
Energy: 0.8801924072758328
Energy: 0.7720105234808176
Energy: 0.8801924072746036
Energy: 1.1422825754831216
Energy: 0.8369344324966428
Energy: 0.7738708548356298
Energy: 0.8369344324966428
Energy: 0.7735649548938127
Energy: 0.8361060894533339
Energy: 0.7477983258573958
Energy: 0.8361060894533339
Energy: 1.082182652286426
Energy: 0.8802283604590895
Energy: 0.7716187995267461
Energy: 0.8802283604922502
Energy: 0.8422154958490403
Energy: 0.8815826429721146
Energy: 0.7720947467878367
Energy: 0.8815826429721146
Energy: 0.8350426134774581
Energy: 0.8365561155562107
Energy: 0.7741764592459881
Energy: 0.8365561155562107
Energy: 0.7732632802660874
Energy: 0.9288270735949214
Energy: 0.7469141577149158
Energy: 0.9288270735949214
Energy: 0.7683566717953633
Energy: 0.8812130568968722
Energy: 0.7726194010433255
Energy: 0.8812130568944139
Energy: 0.7735811339348984
Energy: 0.8384371759881435
Energy: 0.775590746588399
Energy: 0.8384371759881435
Energy: 0.7696278746528157
Energy: 0.8364371912537375
Energy: 0.7675337417884541
Energy: 0.8364371912537375

minimum gb energy = 0.7406786762701127 eV
minimum distance =  2.33584445624838 Angstroms
sigma value = 25


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

Energy: 0.8952404496905706
Energy: 0.7177296695564606
Energy: 1.2364713051649034
Energy: 0.7177296695708583
Energy: 1.3778869166992682
Energy: 0.7261404734437058
Energy: 0.7057537255520346
Energy: 0.726140473442746
Energy: 0.8529608920733384
Energy: 0.7156626141101617
Energy: 0.9226125051598909
Energy: 0.7156626141120814
Energy: 1.0427884430722225
Energy: 0.742843350380698
Energy: 0.7064552751248498
Energy: 0.742843350379738
Energy: 0.7199488275011172
Energy: 0.7265469084114536
Energy: 0.6884897911421702
Energy: 0.7265469084124133
Energy: 0.7991421809134385
Energy: 0.7156134979814935
Energy: 0.7209685925443512
Energy: 0.7156134979795737
Energy: 0.7061592996676702
Energy: 0.700228044005785
Energy: 1.0442519189971664
Energy: 0.7002280440048251
Energy: 0.6584272560954342
Energy: 0.7542308887987063
Energy: 0.8412254412475102
Energy: 0.7542308887987063
Energy: 0.7050799578026219
Energy: 0.7301757488639743
Energy: 1.2642934043076859
Energy: 0.7301757488620546
Energy: 0.6646158361339932
Energy: 0.7003457587854072
Energy: 0.7569518998522954
Energy: 0.7003457587863668
Energy: 0.7058555149641096
Energy: 0.7002183276330621
Energy: 1.167453640808583
Energy: 0.7002183276330621
Energy: 0.974466597536796
Energy: 0.8245686272272152
Energy: 0.8414944513378739
Energy: 0.8245686272262552
Energy: 0.7075729973930623
Energy: 0.7429283528862096
Energy: 1.0545103163932874
Energy: 0.7429283528862096
Energy: 1.0000763053537192
Energy: 0.9974326766594377
Energy: 0.7208321163687357
Energy: 0.9974326766603976
Energy: 0.7237587639486543
Energy: 0.7007117857939202
Energy: 0.80525799671086
Energy: 0.7007117857929603
Energy: 1.1033949066520887
Energy: 0.8249378651985069
Energy: 0.7071095716760304
Energy: 0.8249378651985069
Energy: 0.8369776638986706
Energy: 0.7536839995781365
Energy: 0.6587759085154327
Energy: 0.7536839995762169
Energy: 1.0956073706070046
Energy: 0.7263410936720064
Energy: 0.7059929468587419
Energy: 0.7263410936720064
Energy: 0.8962857191229682
Energy: 0.7151247561028835
Energy: 0.6735852844922553
Energy: 0.7151247561038434
Energy: 1.272684103968882
Energy: 0.8281951906234168
Energy: 0.7074325347327796
Energy: 0.8281951906253364
Energy: 0.8375443003448021
Energy: 1.043790739090879
Energy: 0.6578971621936442
Energy: 1.0437907390927985
Energy: 0.8354268721188166
Energy: 0.7432582667147336
Energy: 0.7102793184903778
Energy: 0.7432582667156934
Energy: 0.7209768944100572
Energy: 0.7008248069308499
Energy: 0.9981917059967107
Energy: 0.7008248069308499
Energy: 0.8020149163907717
Energy: 0.8278935188838976
Energy: 0.7242455403075055
Energy: 0.8278935188829378
Energy: 0.7084415357455675
Energy: 0.8240991011663266
Energy: 1.1022242124863755
Energy: 0.8240991011663266
Energy: 0.671266757688697
Energy: 0.7541153667093933
Energy: 0.8393934765427207
Energy: 0.7541153667093933

minimum gb energy = 0.6578971621936442 eV
minimum distance =  2.33640579596548 Angstroms
sigma value = 41


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

Energy: 1.0391167994250483
Energy: 0.645773317709349
Energy: 0.9046489345897798
Energy: 0.6457733177077751
Energy: 1.3487643533385814
Energy: 0.6278892107342176
Energy: 0.6143577148731376
Energy: 0.6278892107350044
Energy: 0.6461305052105976
Energy: 0.6123267929420301
Energy: 0.5818502725197361
Energy: 0.6123267929412431
Energy: 1.0153935000141405
Energy: 0.6284206835502387
Energy: 0.6145695814211721
Energy: 0.6284206835510256
Energy: 0.6117950460344812
Energy: 0.6656919602357886
Energy: 0.5951318325360064
Energy: 0.6656919602357886
Energy: 0.8119121973964506
Energy: 0.6280887740609139
Energy: 0.6141774116095965
Energy: 0.6280887740617008
Energy: 0.6137494776168021
Energy: 0.6285003976279153
Energy: 0.8853004155183548
Energy: 0.6285003976287024
Energy: 0.5891107633036172
Energy: 0.6461663683785529
Energy: 0.612358135935642
Energy: 0.6461663683793399
Energy: 0.6159820201382666
Energy: 0.646179889764905
Energy: 1.0817396211098864
Energy: 0.646179889764905
Energy: 0.59984543966426
Energy: 0.611917481154867
Energy: 0.6465333671525725
Energy: 0.611917481154867
Energy: 0.6139629972177467
Energy: 0.6285459708606091
Energy: 1.1859954611439822
Energy: 0.628545970859822
Energy: 0.6025014579310582
Energy: 0.6456939050518226
Energy: 1.0371306701875331
Energy: 0.6456939050518226
Energy: 0.6159948737190662
Energy: 0.6477958644245124
Energy: 1.1856350729461334
Energy: 0.6477958644213646
Energy: 0.8588917521230715
Energy: 0.7100727149642945
Energy: 0.6466580120164592
Energy: 0.7100727149572122
Energy: 0.6140308995108383
Energy: 0.6287237041029979
Energy: 1.0126245341994402
Energy: 0.628723704102211
Energy: 0.8636427190469481
Energy: 0.6452511621447069
Energy: 0.6124515805071316
Energy: 0.64525116214392
Energy: 0.6158514370933298
Energy: 0.6466297776427272
Energy: 0.9057517929693732
Energy: 0.6466297776143981
Energy: 0.855479139464402
Energy: 0.7099287667640217
Energy: 0.6142568380171549
Energy: 0.7099287667648088
Energy: 0.6139281959059555
Energy: 0.6458048666515459
Energy: 0.5995399608929355
Energy: 0.645804866652333
Energy: 0.8786826824045008
Energy: 0.6451871448686076
Energy: 0.6187708963999101
Energy: 0.6451871448701814
Energy: 0.6483693142661352
Energy: 0.6461686719441627
Energy: 0.5876545954710545
Energy: 0.6461686719496713
Energy: 1.186604719304415
Energy: 0.6675103795057603
Energy: 0.6144889298905102
Energy: 0.6675103794995009
Energy: 1.033854192618293
Energy: 0.6455328250683285
Energy: 0.6002045178108805
Energy: 0.6455328250683285
Energy: 1.0393036558828765
Energy: 0.6471664333070319
Energy: 0.6188599015589402
Energy: 0.6471664333062451
Energy: 0.6484333211634397
Energy: 0.7073969631607175
Energy: 0.5898150778239034
Energy: 0.7073969631607175
Energy: 1.0097803348107675
Energy: 1.1689268642007191
Energy: 0.6146671659426489
Energy: 1.1689268642007191
Energy: 0.6144208542923847
Energy: 0.6452610887618129
Energy: 0.8613821761746014
Energy: 0.645261088760239
Energy: 0.6289136794248303
Energy: 0.6466059506640413
Energy: 0.6185431261806592
Energy: 0.6466059506624674
Energy: 0.6165026128028428
Energy: 0.7079803678691228
Energy: 0.8548872776415342
Energy: 0.7079803678746311
Energy: 0.5977625701128492
Energy: 0.9485431398018966
Energy: 0.6166288597144192
Energy: 0.9485431398018966
Energy: 0.6184381904456898
Energy: 0.6450603343713405
Energy: 0.8766398180913888
Energy: 0.6450603343721274
Energy: 0.5893637393614237
Energy: 0.6470633633293733
Energy: 0.6513749685603913
Energy: 0.6470633633309472

minimum gb energy = 0.5818502725197361 eV
minimum distance =  2.33618827337193 Angstroms
sigma value = 15


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

Energy: 0.9386491467270957
Energy: 0.575159904876277
Energy: 0.8725077322158921
Energy: 0.575159904876277
Energy: 1.342110657091978
Energy: 0.572687572625312
Energy: 0.5736166091977994
Energy: 0.5726875726279785
Energy: 0.5991355222222263
Energy: 0.5722054644156122
Energy: 0.5465346512344229
Energy: 0.5722054644156122
Energy: 1.04993605686194
Energy: 0.5723463811011261
Energy: 0.5737113994060138
Energy: 0.5723463812876618
Energy: 0.5721820821667059
Energy: 0.6281809700018615
Energy: 0.9016345023363561
Energy: 0.6281809700091945
Energy: 0.903186582131826
Energy: 0.5730347886603815
Energy: 0.5737713856846873
Energy: 0.5730347886677144
Energy: 0.5736853167044508
Energy: 0.5858728463428202
Energy: 0.5571984703746397
Energy: 0.5858728463434869
Energy: 0.7336561466992848
Energy: 0.5865922493578137
Energy: 0.5736680685686963
Energy: 0.5865922493578137
Energy: 0.5749529650759719
Energy: 0.5880057385013403
Energy: 0.7378872556730899
Energy: 0.5880057384986738
Energy: 0.5497929816899828
Energy: 0.5731701227049344
Energy: 0.5725191989493166
Energy: 0.5731701226356046
Energy: 0.5736177720691075
Energy: 0.5723297131439398
Energy: 1.0500255877639812
Energy: 0.5723297131446065
Energy: 0.5441326582646534
Energy: 0.5723557685456577
Energy: 0.5998281790990789
Energy: 0.572355768544991
Energy: 0.5747829989739203
Energy: 0.5879188868123998
Energy: 1.2032124531831299
Energy: 0.5879188868084
Energy: 0.5516128886348245
Energy: 0.573513480041797
Energy: 0.9349924858751025
Energy: 0.5735134800411305
Energy: 0.5734635279925585
Energy: 0.5725653384294511
Energy: 1.1975282428216507
Energy: 0.572565338189585
Energy: 0.776272956618882
Energy: 0.5721012741597674
Energy: 0.6001600138588257
Energy: 0.5721012741584343
Energy: 0.5750318594463187
Energy: 0.5866465787117745
Energy: 1.0471909735134077
Energy: 0.5866465787151076
Energy: 0.7752888276428836
Energy: 0.6255702351025759
Energy: 0.5725608717797649
Energy: 0.6255702350972429
Energy: 0.5736146407384383
Energy: 0.5727325749673989
Energy: 0.906490610083483
Energy: 0.5727325749693989
Energy: 0.7699765320238078
Energy: 0.5721849072640565
Energy: 0.5739420419401015
Energy: 0.5721849072687228
Energy: 0.5747727027498833
Energy: 0.6067134567062877
Energy: 0.728395383366202
Energy: 0.6067134566576842
Energy: 0.7861543151005963
Energy: 0.5859116762941208
Energy: 0.5764910859850072
Energy: 0.5859116762941208
Energy: 0.5735909743619058
Energy: 0.5722834470872731
Energy: 0.5476561757998917
Energy: 0.5722834470799402
Energy: 1.0979420490647418
Energy: 0.5718699835168457
Energy: 0.5740532196413815
Energy: 0.5718699835195122
Energy: 0.6007807592477327
Energy: 0.5997866596584271
Energy: 0.5378937206841655
Energy: 0.5997866596524274
Energy: 1.0699182934576816
Energy: 0.5863120781942232
Energy: 0.5767949879284894
Energy: 0.5863120781922233
Energy: 0.93324495536068
Energy: 0.5728192455988987
Energy: 0.5477829652374725
Energy: 0.5728192455988987
Energy: 1.1947295292400513
Energy: 0.5727469347472323
Energy: 0.5737224101952274
Energy: 0.5727469347478988
Energy: 0.6013861938409647
Energy: 0.6550786957170621
Energy: 0.5402434174365592
Energy: 0.6550786957170621
Energy: 0.9232723316570156
Energy: 0.5868159236661884
Energy: 0.5768244743927171
Energy: 0.5868159236648551
Energy: 0.5734189564678811
Energy: 0.6255393821014487
Energy: 0.77645690521171
Energy: 0.6255393820987821
Energy: 0.9018599137732198
Energy: 0.5723929869363875
Energy: 0.5740525141702746
Energy: 0.5723929869423872
Energy: 0.5749303928288879
Energy: 0.6548298739687597
Energy: 0.7675527468130119
Energy: 0.6548298739687597
Energy: 0.5665323357984844
Energy: 0.5999446733347513
Energy: 0.5767302599193032
Energy: 0.5999446733320848
Energy: 0.5522422289753435
Energy: 0.6277222738283585
Energy: 0.7833732216040878
Energy: 0.627722273706365
Energy: 0.5484087382461839
Energy: 0.5722178221620826
Energy: 0.5753953378319677
Energy: 0.5722178221620826
Energy: 0.5750635625446864
Energy: 0.6534147106937527
Energy: 1.094970224463859
Energy: 0.6534147106110904

minimum gb energy = 0.5378937206841655 eV
minimum distance =  2.34128222151694 Angstroms
sigma value = 85


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

Energy: 0.9571588385281844
Energy: 0.5756451424135641
Energy: 1.0821741918694776
Energy: 0.5756451270306425
Energy: 1.3909587505789573
Energy: 0.5607457707720296
Energy: 0.5209775157407104
Energy: 0.5607457707760505
Energy: 0.9236635122658152
Energy: 0.5717773483992472
Energy: 0.6883757213083431
Energy: 0.5717773483992472
Energy: 1.1197349763141384
Energy: 0.5611965446604186
Energy: 0.5210225082817947
Energy: 0.5611965446581058
Energy: 0.6443676848834625
Energy: 0.5313459068844553
Energy: 0.4888030961872519
Energy: 0.5313459068844553
Energy: 0.985554426626592
Energy: 0.5740371689064004
Energy: 0.521252100604626
Energy: 0.5740371688804089
Energy: 0.6053133753699244
Energy: 0.5796022664908181
Energy: 0.5788409532877713
Energy: 0.5796022664908181
Energy: 0.8521348102474551
Energy: 0.5595186025101081
Energy: 0.5320413578536329
Energy: 0.5595186025106863
Energy: 0.5313925894988194
Energy: 0.5396462173329465
Energy: 0.7397037339554499
Energy: 0.5396462173329465
Energy: 0.7042290692008991
Energy: 0.5727856214804593
Energy: 0.6047229254887249
Energy: 0.5727856214804593
Energy: 0.5218703906749527
Energy: 0.560024380934877
Energy: 1.0628344015611875
Energy: 0.5600243809371899
Energy: 0.5393918509275284
Energy: 0.5594357236437373
Energy: 0.6436420268108717
Energy: 0.5594357236558789
Energy: 0.5208532144269234
Energy: 0.5397503621230388
Energy: 1.1215291927565996
Energy: 0.5397503621213043
Energy: 0.45386657526693636
Energy: 0.5730344516906545
Energy: 0.9208374836955264
Energy: 0.5730344516918109
Energy: 0.5219107689318525
Energy: 0.5605910094612504
Energy: 1.25617933205994
Energy: 0.5605910094618287
Energy: 0.45736701397693363
Energy: 0.5593597729401101
Energy: 0.8873854914817894
Energy: 0.5593597729401101
Energy: 0.5209428758094917
Energy: 0.5406636772773482
Energy: 1.187821108163268
Energy: 0.54066367727677
Energy: 0.6650045454219625
Energy: 0.5711420355123816
Energy: 0.9210822858363746
Energy: 0.5711420355065999
Energy: 0.5219609488596724
Energy: 0.5611833403557417
Energy: 1.1194373011575118
Energy: 0.5611833403551635
Energy: 0.6681899471965839
Energy: 0.5594815358013345
Energy: 0.6431378687657618
Energy: 0.5594815358232788
Energy: 0.5216183001273613
Energy: 0.5504602244208072
Energy: 0.9849692056691121
Energy: 0.5504602244208072
Energy: 0.7416279235903986
Energy: 0.5593343613437844
Energy: 0.6048057173096449
Energy: 0.5593343613437844
Energy: 0.5332365886767181
Energy: 0.5593651578267327
Energy: 0.8514531220758349
Energy: 0.5593651578284673
Energy: 0.769473891000849
Energy: 0.5796504086836992
Energy: 0.5319849000223769
Energy: 0.5796504086819647
Energy: 0.6052101988457007
Energy: 0.5595576931358763
Energy: 0.7038160109334527
Energy: 0.5595576931352981
Energy: 1.0395884717899724
Energy: 0.5593205471170531
Energy: 0.5233325629517264
Energy: 0.5593205471165014
Energy: 0.6438984679750366
Energy: 0.5593539598351904
Energy: 0.5421832357616292
Energy: 0.5593539598351904
Energy: 1.059891309313743
Energy: 0.5793084678050376
Energy: 0.5210962409441124
Energy: 0.5793084678050376
Energy: 0.9202784726633926
Energy: 0.570721343052435
Energy: 0.4539061947998417
Energy: 0.5707213430530133
Energy: 1.263923579374393
Energy: 0.5596924113374746
Energy: 0.5233896869499539
Energy: 0.5596924113380528
Energy: 0.9538017970825471
Energy: 0.5704800855643136
Energy: 0.457150837220554
Energy: 0.5704800855215553
Energy: 1.1486941653393796
Energy: 0.5796109386785753
Energy: 0.5214446852792148
Energy: 0.5796109386774189
Energy: 0.9200273874490772
Energy: 0.5703574972600849
Energy: 0.450399593416852
Energy: 0.5703574972618194
Energy: 1.1256542865943489
Energy: 0.5594804562482268
Energy: 0.5234876856472886
Energy: 0.559480456248805
Energy: 0.6439728765075327
Energy: 0.5598403310587793
Energy: 0.6679720824104172
Energy: 0.5598403310599356
Energy: 0.8818633198039834
Energy: 0.5896640499039514
Energy: 0.5225834150158934
Energy: 0.5896640499005087
Energy: 0.6052452548884745
Energy: 0.5592978047345095
Energy: 0.7465767183212685
Energy: 0.5592978047327749
Energy: 0.8513881552800276
Energy: 0.5597797671079882
Energy: 0.5348928076153625
Energy: 0.5597797671079882
Energy: 0.5331521053163555
Energy: 0.7889740946565278
Energy: 0.7695061679198049
Energy: 0.7889740946565278
Energy: 0.5680358743833702
Energy: 0.5991320836644967
Energy: 0.6065392641504807
Energy: 0.5991320836431044
Energy: 0.5252102712912012
Energy: 0.5593134336079704
Energy: 1.0378720477471497
Energy: 0.5593134336073922
Energy: 0.5414144804720809
Energy: 0.5593070591795765
Energy: 0.6455345916379222
Energy: 0.5593070591807328
Energy: 0.5221977595408395
Energy: 0.7890946900563788
Energy: 1.0602667623187332
Energy: 0.7890946900575352

minimum gb energy = 0.450399593416852 eV
minimum distance =  2.28853066034764 Angstroms
sigma value = 113


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

Energy: 0.018592459655775568
Energy: 0.01903571753794274
Energy: 0.7431861784714514
Energy: 0.01903571753794274
Energy: 0.7432705383697994
Energy: -0.5190599849074966
Energy: -0.5189315537209838
Energy: -0.5190599849070522
Energy: 0.01859245965617065
Energy: 0.019035717538387203
Energy: 0.7431911206445616
Energy: 0.01903571753749827
Energy: 0.7432705383697994
Energy: -0.5190599849070522
Energy: -0.5189315537205392
Energy: -0.5190599849070522
Energy: 0.01859245965617065
Energy: 0.01903571753794274
Energy: 0.7432259305251576
Energy: 0.01903571753749827
Energy: 0.7432705383697994
Energy: -0.5190599849066077
Energy: -0.5189315537213788
Energy: -0.5190599849070522

minimum gb energy = -0.5190599849074966 eV
minimum distance =  2.46833605988073 Angstroms
sigma value = 1