Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645777106285
cohesive_energy=4.290547129999928
mass=55.845
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=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.341272375363839e-19, 5.56621797477744e-19, 5.76557681334606e-19, 5.942344961375279e-19, 6.098909662049759e-19, 6.23717750556396e-19, 6.35873464678554e-19, 6.465103153516799e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
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: 0.013185823180567456
Energy: 0.013477228916123062
Energy: 1.9735357510852143
Energy: 1.1063672842521388
Energy: 0.013477228916123062
Energy: 0.22578313087388466
Energy: 1.1051518613204352
Energy: 0.22578313087388466
Energy: 1.9735357510803277
Energy: 1.1051518613155487
Energy: 1.434893666681434
Energy: 1.1051518613165205
Energy: 1.106367284254082
Energy: 0.22578313087388466
Energy: 1.1051518613194635
Energy: 0.22578313087388466

minimum gb energy = 0.013185823180567456 eV
minimum distance =  2.43810929242406 Angstroms
sigma value = 1


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

Energy: 2.156592760503599
Energy: 1.0261474686296743
Energy: 1.1659549888053355
Energy: 1.0062885625876679
Energy: 1.860184640980824
Energy: 0.8957601364205806
Energy: 0.8967005852036384
Energy: 0.8957601364205806
Energy: 1.8497410833239418
Energy: 0.8959368116766282
Energy: 0.8963883331245968
Energy: 0.8959368116754161
Energy: 1.861019120072847
Energy: 0.8958768410708795
Energy: 0.8959444881920214
Energy: 0.8958768410708795
Energy: 1.5329436358764317
Energy: 0.9028885293238968
Energy: 1.2141435656321415
Energy: 0.9028885293238968
Energy: 1.861140306361319
Energy: 0.895258443439424
Energy: 1.1700699798595677
Energy: 0.895258443439424
Energy: 1.6686412070319705
Energy: 0.8951983064101245
Energy: 1.1728418130985165
Energy: 0.8951983064089123
Energy: 1.5396500416977397
Energy: 0.8951225613337271
Energy: 1.1744449353946018
Energy: 0.8951225613349393
Energy: 1.3471863635529577
Energy: 0.8979132329178544
Energy: 1.578339159160451
Energy: 0.8979132329166423
Energy: 1.5379224385551455
Energy: 0.9639158337411073
Energy: 1.5491475004657362
Energy: 0.9639158337411073
Energy: 1.492116846515896
Energy: 0.8969442405636598
Energy: 1.4423079615625032
Energy: 0.896944240564872
Energy: 1.1734949792192804
Energy: 0.8949369992010503
Energy: 1.535198428125801
Energy: 0.894936999199838
Energy: 1.1729216131836313
Energy: 0.8952386292356486
Energy: 1.5357916275727388
Energy: 0.8952386292344363
Energy: 1.1571294273985417
Energy: 0.8952237538058867
Energy: 1.8611791468094974
Energy: 0.8952237538058867
Energy: 1.1801246804039613
Energy: 0.902549317389472
Energy: 1.625053972806677
Energy: 0.9025493173906842
Energy: 0.8960603314397071
Energy: 0.8960866113153442
Energy: 1.8527423057970283
Energy: 0.8960866113165563
Energy: 0.8957464319059313
Energy: 0.896097421000976
Energy: 1.8554669656646354
Energy: 0.896097421000976
Energy: 0.8949152908589805
Energy: 0.8955372559891152
Energy: 1.8623787425286067
Energy: 0.8955372559891152
Energy: 0.8956881710507575
Energy: 0.8957594414293962
Energy: 1.7359371764958222
Energy: 0.8957594414390939
Energy: 0.9787202359609124
Energy: 0.8954222336812581
Energy: 1.8536951025703787
Energy: 0.8954222336788334
Energy: 0.9951444591462185
Energy: 0.8954812595321392
Energy: 1.8582731057569875
Energy: 0.8954812595333516
Energy: 0.9959859662543962
Energy: 0.8952319805924284
Energy: 1.7408412276496443
Energy: 0.8952319805924284
Energy: 1.0023503712357549
Energy: 0.8952899220368336
Energy: 1.5341233776863934
Energy: 0.8952899220380457
Energy: 1.3506025657799634
Energy: 0.8955900824663467
Energy: 1.7401713096293232
Energy: 0.8955900824663467
Energy: 1.3489264619600134
Energy: 0.8959444290198878
Energy: 1.740601012821785
Energy: 0.8959444290198878
Energy: 1.3503035688393261
Energy: 0.9671906753710551
Energy: 1.3482156671195977
Energy: 0.9671906753710551
Energy: 1.3493425436666397
Energy: 0.9651985684991776
Energy: 1.347809296665777
Energy: 0.9651985684979654
Energy: 1.7408134374227002
Energy: 0.895571659301494
Energy: 1.3497738415175011
Energy: 0.8955716593099794
Energy: 1.6252946689504977
Energy: 0.895574378747826
Energy: 1.3605691315142896
Energy: 0.8955743787490382
Energy: 1.6245500236751091
Energy: 0.895329256352721
Energy: 0.9954401511169021
Energy: 0.8953292563502966
Energy: 1.741308581431756
Energy: 0.8955414724667938
Energy: 0.9965882135016488
Energy: 0.8955414724643694
Energy: 1.8584180413724116
Energy: 0.9237628317810811
Energy: 0.9813077668659889
Energy: 0.9237628317810811
Energy: 1.8452807755849898
Energy: 0.8955616645591489
Energy: 0.9791656568497566
Energy: 0.8955616645579367

minimum gb energy = 0.8949152908589805 eV
minimum distance =  2.35273817363524 Angstroms
sigma value = 1


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

Energy: 2.4273898275233092
Energy: 1.1128817711405754
Energy: 0.9288726827180281
Energy: 1.055482934721484
Energy: 1.7634594430436326
Energy: 0.9285975572315607
Energy: 0.9282069782792502
Energy: 0.9285975572315607
Energy: 1.78105273822945
Energy: 0.927860631904207
Energy: 0.9266823808214502
Energy: 0.927860631904207
Energy: 1.7823544211819613
Energy: 0.9280038927551527
Energy: 0.9284101291921397
Energy: 0.9280038927551527
Energy: 1.546763149386587
Energy: 0.9281981687145194
Energy: 1.12498402381141
Energy: 0.9281981687159016
Energy: 1.782212296476491
Energy: 0.9276946618216837
Energy: 1.1241492953175598
Energy: 0.9276946618216837
Energy: 1.7822668350993713
Energy: 0.9283047485447999
Energy: 1.1417894953732814
Energy: 0.9283047485447999
Energy: 1.549551789620163
Energy: 0.9303345674025466
Energy: 1.1410557451876127
Energy: 0.9303345674025466
Energy: 1.5494140514796029
Energy: 1.01264153855738
Energy: 1.3939918303509717
Energy: 1.0126415385587622
Energy: 1.548945163092242
Energy: 1.0133438356118967
Energy: 1.5481693454625804
Energy: 1.0133438356105147
Energy: 1.5490421310528801
Energy: 1.0125249011785533
Energy: 1.3234942993879466
Energy: 1.0125249011785533
Energy: 1.1413780724869056
Energy: 0.9286367359882362
Energy: 1.3252764443900718
Energy: 0.928636735986854
Energy: 1.1415760967826998
Energy: 0.9276473833813897
Energy: 1.5486975782549952
Energy: 0.9276473833813897
Energy: 1.125263977142952
Energy: 0.9283378287272237
Energy: 1.7829281333169495
Energy: 0.9283378287272237
Energy: 1.1252221413096932
Energy: 0.9282397671235941
Energy: 1.7643694349851766
Energy: 0.9282397671235941
Energy: 0.9278224888025003
Energy: 0.9278046485080123
Energy: 1.7634103255216358
Energy: 0.9278046485093943
Energy: 0.9273130255299059
Energy: 0.9277248297674027
Energy: 1.7823157317657827
Energy: 0.9277248297674027
Energy: 0.9274169917214158
Energy: 0.9288164383247656
Energy: 1.7826606948894346
Energy: 0.9288164383247656
Energy: 0.9279825679147574
Energy: 0.9283993168616156
Energy: 1.5470645381838524
Energy: 0.9283993168616156
Energy: 1.1243240388435234
Energy: 0.9275564005817509
Energy: 1.7822058570476527
Energy: 0.9275564005817509
Energy: 1.1409379562165032
Energy: 0.9279122621033484
Energy: 1.7812339690083652
Energy: 0.9279122621033484
Energy: 1.1408410011855215
Energy: 0.9301544388375583
Energy: 1.548964210523106
Energy: 0.9301544388375583
Energy: 1.141308248541971
Energy: 1.0121012960737517
Energy: 1.5492370090559238
Energy: 1.0121012960751337
Energy: 1.5486826002579606
Energy: 1.0127968377592467
Energy: 1.5492516143625807
Energy: 1.0127968377592467
Energy: 1.3235048762477468
Energy: 1.0133395949301471
Energy: 1.5506430069167458
Energy: 1.0133395949301471
Energy: 1.3236108384217808
Energy: 0.9286657202143758
Energy: 1.190307421709963
Energy: 0.9286657202143758
Energy: 1.548959454635987
Energy: 0.9276337663158942
Energy: 1.1408815770654526
Energy: 0.9276337663158942
Energy: 1.7826208761151963
Energy: 0.927851582297308
Energy: 1.124973375549053
Energy: 0.927851582297308
Energy: 1.7641160455959903
Energy: 0.9280960137338904
Energy: 1.125348438557744
Energy: 0.9280960137338904

minimum gb energy = 0.9266823808214502 eV
minimum distance =  2.35861589970212 Angstroms
sigma value = 25


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

Energy: 2.2883794510983084
Energy: 1.1127968324309583
Energy: 0.990990462652779
Energy: 1.0863233125792886
Energy: 1.664488497777075
Energy: 0.9908729465158675
Energy: 0.9915552594639645
Energy: 0.9908729465158675
Energy: 1.6794632813721586
Energy: 0.9901210467290795
Energy: 0.990060032987737
Energy: 0.9901210467290795
Energy: 1.6795396404691034
Energy: 0.9907918447243853
Energy: 0.9910099074861063
Energy: 0.9907918447243853
Energy: 1.5631509833862738
Energy: 1.0162877738122562
Energy: 1.3046908111993807
Energy: 1.0162877738106493
Energy: 1.6791827117241316
Energy: 0.9913563857469325
Energy: 1.3177636270135324
Energy: 0.9913563857469325
Energy: 1.6793981721776554
Energy: 1.0796219761117742
Energy: 1.3550911754864103
Energy: 1.0796219761117742
Energy: 1.3538647516185438
Energy: 1.0801629008830713
Energy: 1.3510386423944982
Energy: 1.0801629008830713
Energy: 1.355448012574532
Energy: 1.080244370386003
Energy: 1.4818009121008542
Energy: 1.080244370386003
Energy: 1.3189315594428608
Energy: 1.0081524108287627
Energy: 1.6787602587736836
Energy: 1.0081524108287627
Energy: 1.3329364149539107
Energy: 1.016394479415704
Energy: 1.6778086488833792
Energy: 1.016394479414097
Energy: 0.9902525929990132
Energy: 0.990651571065182
Energy: 1.6769805292033417
Energy: 0.990651571065182
Energy: 0.9893602819280181
Energy: 0.9902640934385224
Energy: 1.6829546731717655
Energy: 0.9902640934385224
Energy: 0.9908214288097379
Energy: 1.0350962811883828
Energy: 1.6813091076114668
Energy: 1.0350962811883828
Energy: 0.9900715369588086
Energy: 1.0083825086773226
Energy: 1.5620457985581617
Energy: 1.0083825086773226
Energy: 1.1092481211789913
Energy: 0.9907634053957404
Energy: 1.6769435462391813
Energy: 0.9907634053941335
Energy: 1.1262832613663394
Energy: 0.9899808335401011
Energy: 1.6820185656238211
Energy: 0.9899808335401011
Energy: 1.1270418576200696
Energy: 0.9905835873092247
Energy: 1.5599199666305303
Energy: 0.9905835873092247
Energy: 1.1461427078990423
Energy: 0.9901981568799937
Energy: 1.3528303838082483
Energy: 0.9901981568783869
Energy: 1.559988004819794
Energy: 1.0839470873559234
Energy: 1.5604321577392701
Energy: 1.0839470873543167
Energy: 1.447068122332513
Energy: 0.9901631706836683
Energy: 1.5603902330185122
Energy: 0.9901631706820615
Energy: 1.446859848871936
Energy: 0.990284066516116
Energy: 1.1278034043855196
Energy: 0.990284066516116
Energy: 1.5606760465525369
Energy: 0.990406773146385
Energy: 1.126066953184857
Energy: 0.990406773146385
Energy: 1.6826888024858635
Energy: 0.9902867104659161
Energy: 1.121680292235126
Energy: 0.9902867104675228
Energy: 1.676073738135274
Energy: 0.9906701747165739
Energy: 1.0930979057346017
Energy: 0.9906701747165739

minimum gb energy = 0.9893602819280181 eV
minimum distance =  2.34208350982105 Angstroms
sigma value = 9


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

Energy: 2.0285873279444218
Energy: 1.2051444844387325
Energy: 1.019801220299741
Energy: 1.0174773576962708
Energy: 1.5335168425702965
Energy: 1.091732603445942
Energy: 1.019913627789005
Energy: 1.091732603445942
Energy: 1.5666431398420217
Energy: 1.0196616371894014
Energy: 1.015768144616556
Energy: 1.0196616371895975
Energy: 1.5639762658410101
Energy: 1.017323517429793
Energy: 1.0173346102603142
Energy: 1.0173235174288344
Energy: 1.305112983618174
Energy: 1.0208554535251484
Energy: 1.272867897071289
Energy: 1.020855453524974
Energy: 1.5655230826323834
Energy: 1.0893252119020889
Energy: 1.2744042026669267
Energy: 1.0893252119020889
Energy: 1.5666907040834717
Energy: 1.017317909073569
Energy: 1.0003664032483135
Energy: 1.017317909073939
Energy: 1.3158905808137351
Energy: 1.1379397160797926
Energy: 1.3133512965340288
Energy: 1.1379397160803808
Energy: 1.314722408843172
Energy: 1.141119830916351
Energy: 1.5667508853668293
Energy: 1.141119830916351
Energy: 1.365133818153465
Energy: 1.0174883204709662
Energy: 1.5657947355827209
Energy: 1.017488320470574
Energy: 1.2730018069681956
Energy: 1.0207683752913965
Energy: 1.5323506785950856
Energy: 1.0207683752915926
Energy: 1.0159425399862227
Energy: 1.0173314874159842
Energy: 1.5338529258564189
Energy: 1.0173314874163766
Energy: 1.0172664455056366
Energy: 1.01961706206053
Energy: 1.5653935166743862
Energy: 1.019617062060726
Energy: 1.0193422367157146
Energy: 1.0941034340371685
Energy: 1.565859512235858
Energy: 1.0941034340373645
Energy: 1.0201225242142749
Energy: 1.0213066578081778
Energy: 1.30503086242381
Energy: 1.0213066578081778
Energy: 1.2724928490607283
Energy: 1.0904829373429152
Energy: 1.563887321169601
Energy: 1.0904829373433071
Energy: 1.0004591223088428
Energy: 1.019819211621488
Energy: 1.5667869812488557
Energy: 1.0198192116212919
Energy: 1.0007011312832126
Energy: 1.1413036630796674
Energy: 1.3652249696888688
Energy: 1.1413036630798636
Energy: 1.3143550665166635
Energy: 1.1413528222224436
Energy: 1.3138162284344939
Energy: 1.1413528222220735
Energy: 1.5669275244732368
Energy: 1.1407202947204556
Energy: 1.366296118373146
Energy: 1.1407202947198678
Energy: 1.533785407337794
Energy: 1.0202371918537643
Energy: 1.2732544719894785
Energy: 1.0202371918541562

minimum gb energy = 1.0003664032483135 eV
minimum distance =  2.35631507571549 Angstroms
sigma value = 25


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

Energy: 1.7744301972106402
Energy: 1.1456705984851163
Energy: 1.1233086623181334
Energy: 1.1226109065031613
Energy: 1.377748054417139
Energy: 1.2289828345678748
Energy: 1.2293840614668365
Energy: 1.2289828345671747
Energy: 1.3794131862451262
Energy: 1.121285129919998
Energy: 1.120791119173034
Energy: 1.121285129919998
Energy: 1.4307784288575578
Energy: 1.1388438158147633
Energy: 1.1384289172918376
Energy: 1.1388438158147633
Energy: 1.3133748815810897
Energy: 1.1614703216103153
Energy: 1.3786410057437264
Energy: 1.1614703216098303
Energy: 1.3789593950225887
Energy: 1.1918207472995683
Energy: 1.3811811747709675
Energy: 1.1918207472995683
Energy: 1.3789714652129728
Energy: 1.1612488353349655
Energy: 1.4455773938254544
Energy: 1.1612488353344805
Energy: 1.1215250426980585
Energy: 1.1223049789273436
Energy: 1.4474915702829367
Energy: 1.1223049789275594
Energy: 1.1200832700929881
Energy: 1.1212743627704918
Energy: 1.4317928991096496
Energy: 1.121274362770734
Energy: 1.2290913983280825
Energy: 1.1538470306300939
Energy: 1.4334253284872756
Energy: 1.1538470306300939
Energy: 1.1371334204202876
Energy: 1.1227777298817316
Energy: 1.4260524262791945
Energy: 1.1227777298814894
Energy: 1.2650568536856754
Energy: 1.1531282301991197
Energy: 1.4272205799982014
Energy: 1.153128230199335
Energy: 1.3171113697421608
Energy: 1.1211824813460594
Energy: 1.4318660850565326
Energy: 1.1211824813460594
Energy: 1.3170155216689012
Energy: 1.1214136075209187
Energy: 1.3200430448467324
Energy: 1.1214136075213763
Energy: 1.379389974241563
Energy: 1.1214500056740053
Energy: 1.3174893818387232
Energy: 1.12145000567379
Energy: 1.4324418313681586
Energy: 1.1214771432208848
Energy: 1.3793591731856538
Energy: 1.1214771432211275
Energy: 1.3777235488332469
Energy: 1.1215154881493865
Energy: 1.2633239831146033
Energy: 1.1215154881493865

minimum gb energy = 1.1200832700929881 eV
minimum distance =  2.32067013713207 Angstroms
sigma value = 17


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

Energy: 1.6280423112617117
Energy: 1.1801756466246183
Energy: 1.1905653533331462
Energy: 1.1920214875081478
Energy: 1.3668218501266385
Energy: 1.3159683725577838
Energy: 1.3160924085249117
Energy: 1.3159683725577838
Energy: 1.391442642777677
Energy: 1.190509242129312
Energy: 1.1905766097339983
Energy: 1.190509242129312
Energy: 1.3828746513493948
Energy: 1.1945732567682972
Energy: 1.194464963846921
Energy: 1.1945732567682972
Energy: 1.3804445237191283
Energy: 1.2277241481390464
Energy: 1.3800615747900526
Energy: 1.227724148137704
Energy: 1.3916432242583459
Energy: 1.1640603767638507
Energy: 1.3820628706319678
Energy: 1.1640603767638507
Energy: 1.338173323418097
Energy: 1.16277389300045
Energy: 1.3758710133095309
Energy: 1.1627738930017926
Energy: 1.2205079782397508
Energy: 1.2208416888892735
Energy: 1.407060319319657
Energy: 1.220841688890616
Energy: 1.176889648429181
Energy: 1.1619035385168484
Energy: 1.3908605336862834
Energy: 1.1619035385168484
Energy: 1.1814172803459086
Energy: 1.1750484381466777
Energy: 1.3908033726895035
Energy: 1.1750484381480202
Energy: 1.1865185756350285
Energy: 1.1649795824897904
Energy: 1.3773407779190119
Energy: 1.1649795824897904
Energy: 1.3886263341236773
Energy: 1.1827522457920132
Energy: 1.3931254700069537
Energy: 1.1827522457920132
Energy: 1.3789239274513667
Energy: 1.1831745912800078
Energy: 1.3873452271740367
Energy: 1.183174591278665
Energy: 1.3787646127956135
Energy: 1.1625796076487582
Energy: 1.1853589094507386
Energy: 1.1625796076487582
Energy: 1.39100911072285
Energy: 1.161905001527898
Energy: 1.1808047831352138
Energy: 1.1619050015265555
Energy: 1.3909738776599005
Energy: 1.1624537636172225
Energy: 1.2011567865881585
Energy: 1.1624537636158803
Energy: 1.395645085912689
Energy: 1.1615865717042113
Energy: 1.163060736682812
Energy: 1.1615865717042113
Energy: 1.3953097585187253
Energy: 1.1739150171469361
Energy: 1.3524592042741983
Energy: 1.1739150171455937
Energy: 1.38088683987462
Energy: 1.1624681038756
Energy: 1.3790892866105968
Energy: 1.1624681038742575
Energy: 1.1909728231542624
Energy: 1.227398484172444
Energy: 1.3657985678469253
Energy: 1.227398484172444
Energy: 1.193840118206282
Energy: 1.1940990883163856
Energy: 1.377552038880412
Energy: 1.1940990883163856
Energy: 1.1918059590022003
Energy: 1.1907857430701814
Energy: 1.3783528077013165
Energy: 1.1907857430701814
Energy: 1.3169943431907092
Energy: 1.3014104447517505
Energy: 1.3875652137904082
Energy: 1.3014104447517505
Energy: 1.2586960517139911
Energy: 1.191986869181332
Energy: 1.3946436460223557
Energy: 1.1919868691826743
Energy: 1.3270364278742286
Energy: 1.1911584732704135
Energy: 1.3779880715498323
Energy: 1.1911584732717557
Energy: 1.2948326958861156
Energy: 1.1903532390515115
Energy: 1.379145252338837
Energy: 1.190353239050169
Energy: 1.3086898863019487
Energy: 1.2293794561605542
Energy: 1.2986562038237923
Energy: 1.2293794561605542
Energy: 1.3923347803689556
Energy: 1.1905966732281195
Energy: 1.2952279213849032
Energy: 1.1905966732281195
Energy: 1.3784568594603401
Energy: 1.1908726640932543
Energy: 1.4218124419935751
Energy: 1.1908726640945968
Energy: 1.401710342112934
Energy: 1.1921886853877266
Energy: 1.2446847822449496
Energy: 1.1921886853877266

minimum gb energy = 1.1615865717042113 eV
minimum distance =  2.30647008775708 Angstroms
sigma value = 53


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

Energy: 1.131108707808761
Energy: 1.1386779834466987
Energy: 1.1712298915262653
Energy: 1.1695317150014064
Energy: 1.1341279238270188
Energy: 1.1719045420017435
Energy: 1.222286794723828
Energy: 1.1719045420014276
Energy: 1.3109457809333005
Energy: 1.1774859570622143
Energy: 1.2202119429920133
Energy: 1.1774859570618983
Energy: 1.3089520793851432
Energy: 1.222825240453113
Energy: 1.3074232965445955
Energy: 1.2228252404524809
Energy: 1.308374923039106
Energy: 1.1745759477662416
Energy: 1.223222233466282
Energy: 1.1745759477659257
Energy: 1.309478181475777
Energy: 1.174738281374057
Energy: 1.3046836853307435
Energy: 1.174738281373425
Energy: 1.3091182653149311
Energy: 1.1784802833389003
Energy: 1.1347781431676491
Energy: 1.1784802833395325
Energy: 1.2205417061044543
Energy: 1.175657394223535
Energy: 1.1351904298038373
Energy: 1.175657394223535
Energy: 1.2228429348929486
Energy: 1.1751106922626784
Energy: 1.3091705037326071
Energy: 1.1751106922623624
Energy: 1.2203771089869262
Energy: 1.1782334054899288
Energy: 1.310737855909201
Energy: 1.1782334054890156
Energy: 1.2206879680897194
Energy: 1.1694847706830762
Energy: 1.3084567453902156
Energy: 1.1694847706833569
Energy: 1.3084231511243667
Energy: 1.2202068399087997
Energy: 1.3086531902495844
Energy: 1.2202068399093968
Energy: 1.1351290670487093
Energy: 1.1786318535867577
Energy: 1.3106785845024933
Energy: 1.1786318535864768

minimum gb energy = 1.131108707808761 eV
minimum distance =  2.32553958117422 Angstroms
sigma value = 9


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

Energy: 2.0022537837459793
Energy: 1.3571570355032907
Energy: 1.4070124044188248
Energy: 1.3752661340674266
Energy: 1.474230661388889
Energy: 1.3594230377741918
Energy: 1.4395330567101419
Energy: 1.3594230377730478
Energy: 1.3533096538080989
Energy: 1.3214196388140604
Energy: 1.3346430541245473
Energy: 1.3214196388140604
Energy: 1.3524469294622172
Energy: 1.324461282416093
Energy: 1.332279351151411
Energy: 1.3244612824172368
Energy: 1.3311037449253265
Energy: 1.319248056503354
Energy: 1.3690174545734812
Energy: 1.319248056503354
Energy: 1.4273337395088959
Energy: 1.3481936149427924
Energy: 1.4115786611167414
Energy: 1.3481936149427924
Energy: 1.4395524058102993
Energy: 1.4406800633983112
Energy: 1.6421793670247848
Energy: 1.4406800633971673
Energy: 1.534380386998296
Energy: 1.4389811925232312
Energy: 1.5801696497854734
Energy: 1.438981192525519
Energy: 1.5196755555051094
Energy: 1.2541107935974187
Energy: 1.4406959318601718
Energy: 1.2541107935997065
Energy: 1.394021098269483
Energy: 1.2535530220355866
Energy: 1.2546340958765032
Energy: 1.2535530220332989
Energy: 1.5030817564422965
Energy: 1.2542274856209845
Energy: 1.2515296628349963
Energy: 1.2542274856221283
Energy: 1.4773055209398898
Energy: 1.3290476265074063
Energy: 1.3315959373608777
Energy: 1.3290476265074063
Energy: 1.5817507549850072
Energy: 1.3283704322586554
Energy: 1.3279904661035813
Energy: 1.3283704322575114
Energy: 1.5811523829240295
Energy: 1.3285297286045163
Energy: 1.5282839997492976
Energy: 1.3285297286022286
Energy: 1.4793910320414234
Energy: 1.2597126988357277
Energy: 1.52723846127635
Energy: 1.2597126988368716
Energy: 1.3458148428516212
Energy: 1.2467869721647689
Energy: 1.5532709661279729
Energy: 1.2467869721647689
Energy: 1.245058563023727
Energy: 1.2460586596609293
Energy: 1.6021634785881633
Energy: 1.246058659663217
Energy: 1.3233838621666008
Energy: 1.3177527788215886
Energy: 1.5498234916077134
Energy: 1.3177527788227326
Energy: 1.2682908767343224
Energy: 1.2706439124303779
Energy: 1.5855125184386782
Energy: 1.2706439124303779
Energy: 1.3710156726075937
Energy: 1.2966788193484047
Energy: 1.5984596774744628
Energy: 1.2966788193484047
Energy: 1.4943005233231523
Energy: 1.2794689465935127
Energy: 1.493745113906373
Energy: 1.279468946592369
Energy: 1.5272590331517706
Energy: 1.2707727169335317
Energy: 1.4930128284377018
Energy: 1.2707727169335317
Energy: 1.5246803918539307
Energy: 1.2710381489793745
Energy: 1.270335075794588
Energy: 1.2710381489793745
Energy: 1.5278027060711263
Energy: 1.294623813120418
Energy: 1.2706517409432474
Energy: 1.294623813119274
Energy: 1.6058467067711781
Energy: 1.2459814721194005
Energy: 1.2432029696423694
Energy: 1.2459814721194005
Energy: 1.4753997538569266
Energy: 1.2462329302103197
Energy: 1.2463457395997866
Energy: 1.2462329302103197
Energy: 1.5492768349935395
Energy: 1.2455128564416083
Energy: 1.4994320520235944
Energy: 1.2455128564416083
Energy: 1.5266941289690092
Energy: 1.333785520026136
Energy: 1.636068585840046
Energy: 1.333785520026136
Energy: 1.3276802558633307
Energy: 1.337853768553568
Energy: 1.6439254508732444
Energy: 1.3378537685558038
Energy: 1.326930258671044
Energy: 1.3757524327488693
Energy: 1.5609188109657335
Energy: 1.3757524327477255
Energy: 1.2539685215097622
Energy: 1.3277898088162414
Energy: 1.5127766633654076
Energy: 1.3277898088162414
Energy: 1.2544539827050478
Energy: 1.254779540630455
Energy: 1.488901578923668
Energy: 1.2547795406293112
Energy: 1.2534445353874666
Energy: 1.2548585671095716
Energy: 1.476012295286024
Energy: 1.2548585671107153
Energy: 1.4237489773731002
Energy: 1.3488165112453305
Energy: 1.5226230219739032
Energy: 1.3488165112464745
Energy: 1.6429424970270865
Energy: 1.422238103248603
Energy: 1.4829491895671487
Energy: 1.4222381032474591

minimum gb energy = 1.2432029696423694 eV
minimum distance =  2.2916775372104 Angstroms
sigma value = 73


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

Energy: 1.784110770466972
Energy: 1.3800503195500164
Energy: 1.4138472657696946
Energy: 1.407426705620844
Energy: 1.5217233731499866
Energy: 1.3472559146348095
Energy: 1.4286320989550787
Energy: 1.3472559146351806
Energy: 1.357201254214009
Energy: 1.3155457134302417
Energy: 1.3546755421230874
Energy: 1.3155457134300559
Energy: 1.3554853631822004
Energy: 1.3173916236834229
Energy: 1.3510550230151273
Energy: 1.3173916236837735
Energy: 1.3495693018938324
Energy: 1.327254647715558
Energy: 1.3790576160325694
Energy: 1.3272546477157434
Energy: 1.4118782019801899
Energy: 1.359142265118085
Energy: 1.458624036268561
Energy: 1.359142265118456
Energy: 1.4299106975138514
Energy: 1.4305769639348693
Energy: 1.588716443872831
Energy: 1.430576963935406
Energy: 1.5750358078243336
Energy: 1.4300040872393536
Energy: 1.5886778457944601
Energy: 1.4300040872393536
Energy: 1.5598407186283052
Energy: 1.2401095697815498
Energy: 1.4578029178750456
Energy: 1.2401095697815498
Energy: 1.4427924822517908
Energy: 1.2424660407727868
Energy: 1.2401147081686943
Energy: 1.2424660407726014
Energy: 1.5576436384753527
Energy: 1.2398791225689214
Energy: 1.2365501891184367
Energy: 1.2398791225691068
Energy: 1.4970924497881386
Energy: 1.3745575386731055
Energy: 1.2718550871036631
Energy: 1.3745575386732913
Energy: 1.550829761573935
Energy: 1.2721675220182558
Energy: 1.2721276565048727
Energy: 1.2721675220182558
Energy: 1.550587124026447
Energy: 1.272902117067905
Energy: 1.508594521550958
Energy: 1.2729021170671833
Energy: 1.5665668580827117
Energy: 1.3317407015981666
Energy: 1.5667118625346395
Energy: 1.3317407015977956
Energy: 1.5941368868769386
Energy: 1.272466064245887
Energy: 1.639922441484783
Energy: 1.2724660642460726
Energy: 1.2718910680529683
Energy: 1.2719358075496647
Energy: 1.6396487255178784
Energy: 1.2719358075496647
Energy: 1.2889179247055222
Energy: 1.341356198446466
Energy: 1.4978256629979132
Energy: 1.3413561984462805
Energy: 1.2390028613431896
Energy: 1.2401683718718597
Energy: 1.5697339955631882
Energy: 1.2401683718722307
Energy: 1.2408653398315102
Energy: 1.240835159577626
Energy: 1.5600797667738446
Energy: 1.2408351595778113
Energy: 1.4582047826497384
Energy: 1.2409261156725104
Energy: 1.5636582189018553
Energy: 1.2409261156721392
Energy: 1.6352402317375567
Energy: 1.4537716790737587
Energy: 1.5754197490518127
Energy: 1.4537716790737587

minimum gb energy = 1.2365501891184367 eV
minimum distance =  2.28867752089661 Angstroms
sigma value = 7


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

Energy: 2.419276627935738
Energy: 1.3118060509022826
Energy: 1.4089853098293932
Energy: 1.4087811124394625
Energy: 1.6804815617387816
Energy: 1.3103692479613418
Energy: 1.4371121177377748
Energy: 1.3103692479613418
Energy: 1.4714895833160304
Energy: 1.291212819226326
Energy: 1.3701652334262255
Energy: 1.291212819226326
Energy: 1.3710115585814657
Energy: 1.291510628138454
Energy: 1.3665055982122836
Energy: 1.291510628138454
Energy: 1.3669383197495828
Energy: 1.2946868532822715
Energy: 1.3735523981273376
Energy: 1.2946868532822715
Energy: 1.4038467928101637
Energy: 1.311491187518745
Energy: 1.4709555475556448
Energy: 1.3114911875200281
Energy: 1.439538537907938
Energy: 1.440878674080354
Energy: 1.6555057157482047
Energy: 1.440878674080354
Energy: 1.64394866271215
Energy: 1.4391812072385632
Energy: 1.6557847214591772
Energy: 1.4391812072385632
Energy: 1.608375743364342
Energy: 1.2553461089383764
Energy: 1.5548963552067256
Energy: 1.2553461089383764
Energy: 1.4933611655831014
Energy: 1.260614234167399
Energy: 1.256168542885765
Energy: 1.260614234167399
Energy: 1.6068444426764126
Energy: 1.2557077903636422
Energy: 1.2514491133831918
Energy: 1.2557077903636422
Energy: 1.55047180247426
Energy: 1.261027189635468
Energy: 1.2556202256231332
Energy: 1.2610271896367513
Energy: 1.6088243328142895
Energy: 1.2562601280418602
Energy: 1.25702521884431
Energy: 1.2562601280418602
Energy: 1.6081734680240451
Energy: 1.2574351673806567
Energy: 1.4517554034533782
Energy: 1.25743516738194
Energy: 1.6462313952998655
Energy: 1.3096211178487196
Energy: 1.5558574521508988
Energy: 1.3096211178487196
Energy: 1.6306071567810956
Energy: 1.4586650644423267
Energy: 1.6799112431898393
Energy: 1.4586650644410437
Energy: 1.4392026400274613
Energy: 1.3117443417063834
Energy: 1.6789778732075253
Energy: 1.3117443417063834
Energy: 1.3916503021507838
Energy: 1.2951227145695665
Energy: 1.4708494840435398
Energy: 1.2951227145695665
Energy: 1.3695827782289904
Energy: 1.2964370338403013
Energy: 1.373144648690755
Energy: 1.2964370338403013
Energy: 1.3724523219545477
Energy: 1.2958140427552696
Energy: 1.3712138248440406
Energy: 1.2958140427552696
Energy: 1.4716945104619121
Energy: 1.2947061262390003
Energy: 1.406066479305747
Energy: 1.2947061262390003
Energy: 1.6555316808876488
Energy: 1.4397054084969938
Energy: 1.440635445456893
Energy: 1.4397054084969938
Energy: 1.6556584817541826
Energy: 1.4401357895708338
Energy: 1.6467487830183445
Energy: 1.4401357895708338
Energy: 1.5555213538225108
Energy: 1.2553796533716939
Energy: 1.6196633299536656
Energy: 1.2553796533716939
Energy: 1.4518563200874512
Energy: 1.260793277637501
Energy: 1.4935406280403931
Energy: 1.2607932776362178
Energy: 1.2526183237535913
Energy: 1.2557668681131426
Energy: 1.4906175522624918
Energy: 1.2557668681131426
Energy: 1.2562488061547148
Energy: 1.2596150350237016
Energy: 1.5456167676839905
Energy: 1.2596150350249848
Energy: 1.2529884522380572
Energy: 1.2556854729866607
Energy: 1.6081157741462502
Energy: 1.2556854729866607
Energy: 1.2560935017091397
Energy: 1.2582939666653963
Energy: 1.608408071583949
Energy: 1.2582939666653963
Energy: 1.5559055455880817
Energy: 1.2554034125514522
Energy: 1.619863644212712
Energy: 1.2554034125501687
Energy: 1.678879421485484
Energy: 1.310921692576574
Energy: 1.6272258994053392
Energy: 1.310921692575291

minimum gb energy = 1.2514491133831918 eV
minimum distance =  2.29829957588727 Angstroms
sigma value = 29


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

Energy: 1.6986874850346028
Energy: 1.1404625895937417
Energy: 1.3161519408528883
Energy: 1.312576590138505
Energy: 1.4826343910727688
Energy: 1.1991905784994423
Energy: 1.3137903083930633
Energy: 1.1991905784994423
Energy: 1.3230562906292214
Energy: 1.1964960933274944
Energy: 1.316452217733037
Energy: 1.1964960933274944
Energy: 1.3163526097260774
Energy: 1.1945447147992034
Energy: 1.1136536524223597
Energy: 1.1945447147996504
Energy: 1.318647307722514
Energy: 1.1941894667231334
Energy: 1.3534511541530871
Energy: 1.1941894667231334
Energy: 1.3109300037207852
Energy: 1.192567391025479
Energy: 1.3541930844547552
Energy: 1.192567391025479
Energy: 1.3736513179888106
Energy: 1.3728493505708417
Energy: 1.3041603155356665
Energy: 1.3728493505708417
Energy: 1.3702705758321456
Energy: 1.200354090463304
Energy: 1.376324820564409
Energy: 1.2003540904628571
Energy: 1.4861026032554057
Energy: 1.1996561744070982
Energy: 1.3549346601244787
Energy: 1.1996561744070982

minimum gb energy = 1.1136536524223597 eV
minimum distance =  2.36495481010774 Angstroms
sigma value = 5


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

Energy: 1.667656103648726
Energy: 1.5280525541080527
Energy: 1.4940251383979661
Energy: 1.5803570503887814
Energy: 1.2891503082368099
Energy: 1.2192559054092273
Energy: 1.4649038039917703
Energy: 1.2192559054080152
Energy: 1.2121276309070974
Energy: 1.2152532766818445
Energy: 1.4138030535008235
Energy: 1.2152532766818445
Energy: 1.2074716726064785
Energy: 1.2169703641577376
Energy: 1.4464296688035208
Energy: 1.2169703641577376
Energy: 1.208926864898471
Energy: 1.2177324764957516
Energy: 1.287135401827388
Energy: 1.2177324764957516
Energy: 1.2339091907326765
Energy: 1.2457293204367965
Energy: 1.2504149109655978
Energy: 1.2457293204380089
Energy: 1.233116856936352
Energy: 1.2463287626776929
Energy: 1.396125993928788
Energy: 1.2463287626776929
Energy: 1.2375302172995113
Energy: 1.2435247549498614
Energy: 1.4036058578428796
Energy: 1.2435247549498614
Energy: 1.2372448753304925
Energy: 1.2447953457430967
Energy: 1.3609731472516216
Energy: 1.2447953457430967
Energy: 1.409779716025482
Energy: 1.438505362311599
Energy: 1.5152697025425954
Energy: 1.4385053623103867
Energy: 1.2375465590398391
Energy: 1.2641679053546835
Energy: 1.452800168392314
Energy: 1.2641679053534713
Energy: 1.5270298569602825
Energy: 1.2923999036198721
Energy: 1.3800530592336215
Energy: 1.2923999036198721
Energy: 1.4173981361336818
Energy: 1.3578327405018844
Energy: 1.5243453848116177
Energy: 1.3578327405030965
Energy: 1.250835639411975
Energy: 1.2460844519931784
Energy: 1.2374152433714012
Energy: 1.2460844519943906
Energy: 1.3961327697712151
Energy: 1.2454740958662076
Energy: 1.2369914732786216
Energy: 1.2454740958674198
Energy: 1.3937757718218713
Energy: 1.243660703697623
Energy: 1.237319568685365
Energy: 1.243660703696411
Energy: 1.3148103871385537
Energy: 1.2476601846407693
Energy: 1.2714547953340587
Energy: 1.2476601846407693
Energy: 1.4873737322105864
Energy: 1.2155691886049516
Energy: 1.207438215426647
Energy: 1.2155691886049516
Energy: 1.4908987621723828
Energy: 1.2557811196915192
Energy: 1.2113246667918192
Energy: 1.2557811196915192
Energy: 1.4881918111074475
Energy: 1.2164687030108894
Energy: 1.211955932740578
Energy: 1.2164687030108894
Energy: 1.5677302994794655
Energy: 1.3296988713867093
Energy: 1.3223735081947534
Energy: 1.3296988713879216
Energy: 1.6771985751697265
Energy: 1.4797486193649776
Energy: 1.3230928245398128
Energy: 1.4797486193649776
Energy: 1.3266667400541237
Energy: 1.2182587619294993
Energy: 1.2122912768239664
Energy: 1.2182587619294993
Energy: 1.5287129900189587
Energy: 1.2586908527919627
Energy: 1.3187608309292356
Energy: 1.258690852793175
Energy: 1.5257632369837775
Energy: 1.2161136305479026
Energy: 1.2561058770628881
Energy: 1.2161136305491147
Energy: 1.296387935150712
Energy: 1.2616888023487591
Energy: 1.302682564094823
Energy: 1.2616888023475468
Energy: 1.2931285995642245
Energy: 1.2615892240466127
Energy: 1.2957426437970843
Energy: 1.2615892240454003
Energy: 1.2965208527415149
Energy: 1.2581516021517658
Energy: 1.293037860431518
Energy: 1.2581516021517658
Energy: 1.2272599623063634
Energy: 1.2608018961619962
Energy: 1.2988067506749115
Energy: 1.2608018961619962
Energy: 1.2553780962782721
Energy: 1.2571379907018327
Energy: 1.411222192558431
Energy: 1.2571379907030447
Energy: 1.3190378885462568
Energy: 1.2578204647545168
Energy: 1.4109512060592988
Energy: 1.2578204647545168
Energy: 1.21284869715519
Energy: 1.2186736660858557
Energy: 1.3288170140921507
Energy: 1.2186736660858557
Energy: 1.2457894945929813
Energy: 1.5701259800236715
Energy: 1.5609982985119373
Energy: 1.5701259800224594

minimum gb energy = 1.207438215426647 eV
minimum distance =  2.29452551048733 Angstroms
sigma value = 1


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

Energy: 2.031642127569349
Energy: 1.1546634592645375
Energy: 1.4298361498489038
Energy: 1.4274035914956151
Energy: 1.2083633385785415
Energy: 1.1905174044400828
Energy: 1.1847569321647897
Energy: 1.1905174044400828
Energy: 1.1914682847067335
Energy: 1.1887556441110445
Energy: 1.2424205182436474
Energy: 1.1887556441110445
Energy: 1.1859505403090294
Energy: 1.1921946470323768
Energy: 1.2089301952036067
Energy: 1.1921946470323768
Energy: 1.1852566868243253
Energy: 1.2301416409437078
Energy: 1.2430005951449816
Energy: 1.2301416409437078
Energy: 1.1845377611186698
Energy: 1.1949215692045199
Energy: 1.2415402690302224
Energy: 1.1949215692045199
Energy: 1.1846723576608642
Energy: 1.193072501680706
Energy: 1.2430118618193418
Energy: 1.1930725016790302
Energy: 1.1909717088696725
Energy: 1.188963099030702
Energy: 1.2394396382045672
Energy: 1.188963099030702
Energy: 1.1899003840897917
Energy: 1.238372422202255
Energy: 1.183348871584551
Energy: 1.238372422202255
Energy: 1.2299344682521314
Energy: 1.438378051676854
Energy: 1.4359539088604505
Energy: 1.438378051676854
Energy: 1.1899986689257493
Energy: 1.2372722347369467
Energy: 1.1899115553434345
Energy: 1.2372722347352705
Energy: 1.1901148587358252
Energy: 1.1897274526943298
Energy: 1.2087996018053424
Energy: 1.1897274526943298
Energy: 1.1803101066151434
Energy: 1.1919498077324584
Energy: 1.2087771776453136
Energy: 1.1919498077324584
Energy: 1.1847055264220703
Energy: 1.235872506363775
Energy: 1.2163306462115608
Energy: 1.235872506363775
Energy: 1.2089478375931348
Energy: 1.1911740754096498
Energy: 1.1904900516173227
Energy: 1.1911740754096498
Energy: 1.2090742319615508
Energy: 1.1883160098197365
Energy: 1.1890491292017238
Energy: 1.1883160098197365
Energy: 1.2387960034851022
Energy: 1.19807955322535
Energy: 1.2112811082277959
Energy: 1.19807955322535
Energy: 1.2411022802857912
Energy: 1.1888366592454789
Energy: 1.1894115500277034
Energy: 1.1888366592454789
Energy: 1.242870251447925
Energy: 1.196444954768682
Energy: 1.1886236442270168
Energy: 1.196444954767006
Energy: 1.2417148925068602
Energy: 1.1922296198043065
Energy: 1.1901051863228362
Energy: 1.1922296198043065
Energy: 1.422069259588532
Energy: 1.1901806735099343
Energy: 1.2302537539602654
Energy: 1.1901806735099343
Energy: 1.4401984011910003
Energy: 1.4245828761023556
Energy: 1.2305906807210591
Energy: 1.4245828761023556
Energy: 1.2162001806351426
Energy: 1.2354765861865142
Energy: 1.1901324158337527
Energy: 1.2354765861865142
Energy: 1.2083676829861245
Energy: 1.1917931428894288
Energy: 1.1900896603699893
Energy: 1.1917931428894288

minimum gb energy = 1.1546634592645375 eV
minimum distance =  2.29530696593321 Angstroms
sigma value = 17


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

Energy: 1.6226933413227551
Energy: 1.5281685602216941
Energy: 1.7301326560775867
Energy: 1.6336364994911474
Energy: 1.1892091579561672
Energy: 1.2202777758894534
Energy: 1.2126862620355665
Energy: 1.2202777758894534
Energy: 1.1883601181481336
Energy: 1.1907922511040072
Energy: 1.4248841406338668
Energy: 1.1907922511040072
Energy: 1.1883046108404451
Energy: 1.1928765275006665
Energy: 1.4276414706993499
Energy: 1.1928765274996305
Energy: 1.189767466869139
Energy: 1.1940439818540112
Energy: 1.3286122875706403
Energy: 1.1940439818560828
Energy: 1.2559018051273032
Energy: 1.2194500596304516
Energy: 1.2672845194883422
Energy: 1.2194500596294158
Energy: 1.256562765432135
Energy: 1.2203829117200093
Energy: 1.2551066569680258
Energy: 1.2203829117189735
Energy: 1.2721269711768868
Energy: 1.2207374214398878
Energy: 1.253828801558602
Energy: 1.2207374214398878
Energy: 1.3271933130372207
Energy: 1.1911514870621935
Energy: 1.1872614872673029
Energy: 1.1911514870632294
Energy: 1.390308448963637
Energy: 1.1950844125300244
Energy: 1.1914665044106214
Energy: 1.1950844125279525
Energy: 1.2122646381740785
Energy: 1.1926465348857898
Energy: 1.1887461964527137
Energy: 1.1926465348837179
Energy: 1.4993910357569604
Energy: 1.2165873656926776
Energy: 1.2124827134787002
Energy: 1.2165873656937138
Energy: 1.51701099539105
Energy: 1.4432019396433826
Energy: 1.2121608383662432
Energy: 1.443201939642347
Energy: 1.215425465026645
Energy: 1.1983926346946157
Energy: 1.1887468821674019
Energy: 1.1983926346935796
Energy: 1.4246734253598194
Energy: 1.1912422992562082
Energy: 1.2968104364597433
Energy: 1.191242299255172
Energy: 1.2236001737256654
Energy: 1.1904205522170188
Energy: 1.262832802386768
Energy: 1.190420552214947
Energy: 1.215201601147391
Energy: 1.2190777041882972
Energy: 1.3223630589268867
Energy: 1.2190777041882972
Energy: 1.2139656657264004
Energy: 1.221725681015456
Energy: 1.3244731470031135
Energy: 1.221725681013384
Energy: 1.2199653181638652
Energy: 1.2150579525996577
Energy: 1.3247467476889638
Energy: 1.2150579526006935
Energy: 1.2415452232698558
Energy: 1.260178384016661
Energy: 1.3456353192862407
Energy: 1.260178384016661
Energy: 1.2013447646472244
Energy: 1.2040386943020571
Energy: 1.3947161843351485
Energy: 1.2040386942999854
Energy: 1.2024118323021096
Energy: 1.2052357147494057
Energy: 1.3976177749545322
Energy: 1.2052357147483697
Energy: 1.1982846044628122
Energy: 1.208764516608192
Energy: 1.1909498422346456
Energy: 1.2087645166061203
Energy: 1.3238515527466965
Energy: 1.431626507567184
Energy: 1.4334385126414588
Energy: 1.431626507567184
Energy: 1.2132209865106007
Energy: 1.2042796531495725
Energy: 1.3129342069370338
Energy: 1.2042796531485367
Energy: 1.1975933851525613
Energy: 1.2055518105775735
Energy: 1.1989241668587112
Energy: 1.2055518105775735
Energy: 1.4918765967968035
Energy: 1.4651761959440972
Energy: 1.221553921691609
Energy: 1.4651761959440972
Energy: 1.197976232903387
Energy: 1.204756820951457
Energy: 1.2051224499499675
Energy: 1.2047568209535289
Energy: 1.3937172772271988
Energy: 1.2042865882505054
Energy: 1.1984752811234538
Energy: 1.2042865882494693
Energy: 1.3608844713895558
Energy: 1.20714844492069
Energy: 1.1963464845417144
Energy: 1.2071484449237977
Energy: 1.3956318593676191
Energy: 1.206727180390243
Energy: 1.1967414761524262
Energy: 1.206727180389207
Energy: 1.3425087382992005
Energy: 1.221933788533828
Energy: 1.2150286428846928
Energy: 1.2219337885327919
Energy: 1.3262919066233156
Energy: 1.2180720007036234
Energy: 1.214992576766099
Energy: 1.2180720007036234
Energy: 1.3398357690269258
Energy: 1.21627475145112
Energy: 1.2156098294361837
Energy: 1.21627475145112
Energy: 1.1862455974542507
Energy: 1.1915631783246068
Energy: 1.215795675126557
Energy: 1.1915631783256428
Energy: 1.2638568790828293
Energy: 1.2968945360567725
Energy: 1.325588466849448
Energy: 1.2968945360557367
Energy: 1.188530883667797
Energy: 1.1920997434021459
Energy: 1.2157355336919133
Energy: 1.1920997434031817
Energy: 1.203315351736343
Energy: 1.2168461715527499
Energy: 1.4370217847003448
Energy: 1.2168461715527499

minimum gb energy = 1.1862455974542507 eV
minimum distance =  2.28756722881321 Angstroms
sigma value = 89


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

Energy: 2.1981027708810252
Energy: 1.1409245994540924
Energy: 1.4766585579021765
Energy: 1.406874569813418
Energy: 1.1256911918098413
Energy: 1.147896518926841
Energy: 1.1340956138507545
Energy: 1.1478965189270873
Energy: 1.1390165141400095
Energy: 1.1451058900607258
Energy: 1.263519274853921
Energy: 1.1451058900607258
Energy: 1.1323779221850536
Energy: 1.1459915709587898
Energy: 1.264455374892536
Energy: 1.145991570959067
Energy: 1.1354474790251798
Energy: 1.1500394616070275
Energy: 1.2284547243587798
Energy: 1.1500394616073049
Energy: 1.2027435766634913
Energy: 1.1479481337306991
Energy: 1.198702003958391
Energy: 1.1479481337306991
Energy: 1.2029147874124964
Energy: 1.1459047761365795
Energy: 1.2040030835804767
Energy: 1.1459047761363022
Energy: 1.2277415397626446
Energy: 1.1470918457786177
Energy: 1.1979178640274062
Energy: 1.1470918457770158
Energy: 1.2141915398951622
Energy: 1.1465415388676914
Energy: 1.133048926971601
Energy: 1.1465415388679685
Energy: 1.2146815345909103
Energy: 1.1545551344592444
Energy: 1.136728360490727
Energy: 1.1545551344592444
Energy: 1.2137991563551085
Energy: 1.1453351487156989
Energy: 1.1399475199905524
Energy: 1.1453351487156989
Energy: 1.1344393059680906
Energy: 1.1448143104386026
Energy: 1.208510718172466
Energy: 1.1448143104386026
Energy: 1.4187491699167574
Energy: 1.133726532943016
Energy: 1.2089271825726269
Energy: 1.1337265329427386
Energy: 1.1387422906778344
Energy: 1.2419231417189458
Energy: 1.1387534225335314
Energy: 1.2419231417191923
Energy: 1.1256135353679357
Energy: 1.1466043716174776
Energy: 1.138326361038878
Energy: 1.1466043716172003

minimum gb energy = 1.1256135353679357 eV
minimum distance =  2.30037333960931 Angstroms
sigma value = 13


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

Energy: 1.3354556475426373
Energy: 1.1205865638695984
Energy: 1.410544345785033
Energy: 1.3776213658690175
Energy: 1.1047711478627928
Energy: 1.1165261120831047
Energy: 1.1137960383300562
Energy: 1.1165261120831047
Energy: 1.1149516481214117
Energy: 1.1143028064855984
Energy: 1.2986870876347592
Energy: 1.1143028064855984
Energy: 1.1130440638820935
Energy: 1.1138293005598752
Energy: 1.2914949660385195
Energy: 1.1138293005598752
Energy: 1.1996137116815324
Energy: 1.116623677606398
Energy: 1.185814373796064
Energy: 1.116623677606398
Energy: 1.2353033670109137
Energy: 1.0988093583986123
Energy: 1.1342402112004564
Energy: 1.0988093583986123
Energy: 1.2283677094397683
Energy: 1.0982035971737232
Energy: 1.1492430307154593
Energy: 1.0982035971737232
Energy: 1.2555931056461656
Energy: 1.099626680670701
Energy: 1.1338641711908197
Energy: 1.099626680670701
Energy: 1.214242355827934
Energy: 1.1001861292017763
Energy: 1.1375062380328036
Energy: 1.1001861292017763
Energy: 1.2289553577706889
Energy: 1.100178381580812
Energy: 1.133102361183633
Energy: 1.100178381580812
Energy: 1.2270184218749478
Energy: 1.1040741010674961
Energy: 1.1855506249210856
Energy: 1.1040741010674961
Energy: 1.1128505577619856
Energy: 1.1132445834757414
Energy: 1.2095492281478197
Energy: 1.1132445834757414
Energy: 1.1197379576384012
Energy: 1.1132084589234672
Energy: 1.209751712304309
Energy: 1.1132084589234672
Energy: 1.115071066758989
Energy: 1.119099087570857
Energy: 1.2138214735792805
Energy: 1.119099087570857
Energy: 1.2067686842268621
Energy: 1.113857867370972
Energy: 1.374286155023461
Energy: 1.113857867370972
Energy: 1.2066330086456403
Energy: 1.113609568228576
Energy: 1.115598336229887
Energy: 1.113609568228576
Energy: 1.1150001733474306
Energy: 1.1194614970966195
Energy: 1.1153295540077053
Energy: 1.1194614970966195
Energy: 1.1157576131478137
Energy: 1.1176787786527314
Energy: 1.2890059346637153
Energy: 1.117678778650459
Energy: 1.1178684525243467
Energy: 1.1144629441140292
Energy: 1.1043474882269309
Energy: 1.1144629441140292
Energy: 1.2101301269945166
Energy: 1.1164308574591613
Energy: 1.1147162121365084
Energy: 1.1164308574591613
Energy: 1.3365483613103446
Energy: 1.1156629915639085
Energy: 1.1129948136275716
Energy: 1.1156629915650444
Energy: 1.1850926283903083
Energy: 1.117055473229542
Energy: 1.114988562978993
Energy: 1.1170554732306779
Energy: 1.137463804633312
Energy: 1.1001661704745795
Energy: 1.2305683845362678
Energy: 1.1001661704745795
Energy: 1.1407194925295034
Energy: 1.099071721696047
Energy: 1.159235855710802
Energy: 1.099071721694911
Energy: 1.132793291990687
Energy: 1.1065503809589823
Energy: 1.2143893805761834
Energy: 1.1065503809589823
Energy: 1.1339053232793619
Energy: 1.1029819086225319
Energy: 1.2141788491389705
Energy: 1.102981908621396
Energy: 1.1363404610631203
Energy: 1.1009068690678063
Energy: 1.2288950348731904
Energy: 1.1009068690678063
Energy: 1.1879637679444044
Energy: 1.1019660097068813
Energy: 1.2274809676835883
Energy: 1.101966009705745
Energy: 1.1849687129647222
Energy: 1.1147105789304448
Energy: 1.1130036528965401
Energy: 1.1147105789304448
Energy: 1.2251247944557562
Energy: 1.114791819261385
Energy: 1.1150899772716003
Energy: 1.1147918192602488
Energy: 1.2102746216378342
Energy: 1.1195700212868565
Energy: 1.114923078629151
Energy: 1.1195700212868565
Energy: 1.113990794943041
Energy: 1.1137608637739496
Energy: 1.207374067777194
Energy: 1.1137608637750858
Energy: 1.3833325980197855
Energy: 1.1139068178896672
Energy: 1.2067382942753186
Energy: 1.1139068178908034
Energy: 1.1152771311814587
Energy: 1.1194303933385852
Energy: 1.1154603764915991
Energy: 1.1194303933385852
Energy: 1.104452426453811
Energy: 1.1138067358023547
Energy: 1.1205814391573952
Energy: 1.1138067358000825

minimum gb energy = 1.0982035971737232 eV
minimum distance =  2.31108894084271 Angstroms
sigma value = 37


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

Energy: 1.3183377287577576
Energy: 1.0764432969843487
Energy: 1.3384738361750053
Energy: 1.312476294850962
Energy: 1.0586023176386263
Energy: 1.0664994406911918
Energy: 1.0699241790617762
Energy: 1.0664994406911918
Energy: 1.0712920419816792
Energy: 1.0696522363644927
Energy: 1.2179397979424993
Energy: 1.0696522363644927
Energy: 1.0697333941086031
Energy: 1.0673571879651822
Energy: 1.250746973224442
Energy: 1.0673571879649826
Energy: 1.122469130435245
Energy: 1.0804624502717732
Energy: 1.1276074931274167
Energy: 1.0804624502717732
Energy: 1.1321882115803348
Energy: 1.0363128893085316
Energy: 1.069598115695081
Energy: 1.0363128893081541
Energy: 1.1321546136927896
Energy: 1.0349366745805004
Energy: 1.0696023503455865
Energy: 1.0349366745803006
Energy: 1.171695835556453
Energy: 1.0247989228507484
Energy: 1.0697111719943526
Energy: 1.0247989228509486
Energy: 1.1043997917979498
Energy: 1.0219841758570962
Energy: 1.104301748302736
Energy: 1.0219841758568962
Energy: 1.1040467896200548
Energy: 1.0214003134524834
Energy: 1.104548040631188
Energy: 1.0214003134519059
Energy: 1.1129055852296634
Energy: 1.105700785007703
Energy: 1.1720833057227118
Energy: 1.105700785007703
Energy: 1.0699813108506957
Energy: 1.035770310834048
Energy: 1.165518444351704
Energy: 1.035770310834248
Energy: 1.068413143752431
Energy: 1.0359019630012143
Energy: 1.1661066545349845
Energy: 1.0359019630008144
Energy: 1.1276842192543857
Energy: 1.0371371968950132
Energy: 1.1231913806488927
Energy: 1.037137196895213
Energy: 1.1887566203174655
Energy: 1.0665861193223714
Energy: 1.071602824609831
Energy: 1.0665861193223714
Energy: 1.115394756562153
Energy: 1.0674749745769876
Energy: 1.071310683762118
Energy: 1.0674749745769876
Energy: 1.1271101723732602
Energy: 1.081267388123086
Energy: 1.0721069157458425
Energy: 1.0812673881228863
Energy: 1.312504434094732
Energy: 1.3123327172594685
Energy: 1.1636446803147642
Energy: 1.3123327172590908
Energy: 1.071155707694583
Energy: 1.0690636244394858
Energy: 1.1634300402859723
Energy: 1.0690636244394858
Energy: 1.0586023170126548
Energy: 1.0662606273206778
Energy: 1.0714102808848145
Energy: 1.0662606273203001

minimum gb energy = 1.0214003134519059 eV
minimum distance =  2.30757559029042 Angstroms
sigma value = 25


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

Energy: 1.2701033787093123
Energy: 1.0002936874316777
Energy: 1.2084158749626752
Energy: 1.2065910210046686
Energy: 0.9916309912745159
Energy: 0.9969360953045545
Energy: 0.9984514635778665
Energy: 0.9969360953045545
Energy: 0.9987278069852319
Energy: 0.9958872696346004
Energy: 1.0040872819218556
Energy: 0.9958872696330742
Energy: 0.9983230805301251
Energy: 0.9908218016402096
Energy: 1.0988313398279377
Energy: 0.9908218016402096
Energy: 1.0015807613795693
Energy: 0.9623056215102702
Energy: 1.0009009729853422
Energy: 0.962305621508744
Energy: 1.1011510558916933
Energy: 0.9609054646006524
Energy: 1.000855493450454
Energy: 0.9609054646006524
Energy: 1.1009790711329748
Energy: 0.959202956019849
Energy: 1.0040282016163993
Energy: 0.9592029560213753
Energy: 1.0419977057194283
Energy: 0.9565411082359412
Energy: 1.0585866309269787
Energy: 0.9565411082359412
Energy: 1.0108569616829495
Energy: 0.9322309233228675
Energy: 1.0756165561667115
Energy: 0.9322309233228675
Energy: 1.0122782325230661
Energy: 0.9325647286964278
Energy: 1.064436926200842
Energy: 0.9325647286964278
Energy: 1.0027043379125111
Energy: 0.9814280154618424
Energy: 1.0688727606855628
Energy: 0.9814280154618424
Energy: 1.0323242726674906
Energy: 0.9230113221884663
Energy: 1.032369690353082
Energy: 0.9230113221899926
Energy: 1.0440090585802668
Energy: 0.9235778713851587
Energy: 1.0322293763444008
Energy: 0.9235778713851587
Energy: 1.0707336769582991
Energy: 0.9350799699025176
Energy: 1.0136353551742043
Energy: 0.935079969904044
Energy: 1.0758472086806847
Energy: 0.9328406945715517
Energy: 1.012174583020291
Energy: 0.9328406945715517
Energy: 1.0756109392939466
Energy: 0.9333393150956926
Energy: 1.011281574697774
Energy: 0.9333393150941663
Energy: 1.0010671407887426
Energy: 0.961360048453591
Energy: 1.041893485535934
Energy: 0.9613600484520647
Energy: 1.0036742053340577
Energy: 0.9595921761428918
Energy: 1.0555511477910942
Energy: 0.9595921761428918
Energy: 1.0007699829972592
Energy: 0.963203229639113
Energy: 1.0624944497159698
Energy: 0.963203229639113
Energy: 1.0014060901353805
Energy: 0.9966985506436276
Energy: 0.9985498918692148
Energy: 0.9966985506421011
Energy: 1.2204456332755078
Energy: 0.9926490465589676
Energy: 0.9992300863266041
Energy: 0.9926490465589676
Energy: 1.0009852890612352
Energy: 0.9948391335808904
Energy: 0.9985395973110016
Energy: 0.9948391335808904
Energy: 1.0007420752241911
Energy: 0.9946840416044506
Energy: 0.9969412886059918
Energy: 0.9946840416044506
Energy: 1.1996781435228447
Energy: 0.9944498483299611
Energy: 0.9942885490126011
Energy: 0.9944498483299611
Energy: 0.9987001334078855
Energy: 0.9969884402846574
Energy: 0.9987934346058271
Energy: 0.996988440283131
Energy: 1.002421294893474
Energy: 0.9921292164149688
Energy: 0.9986279710662817
Energy: 0.9921292164149688

minimum gb energy = 0.9230113221884663 eV
minimum distance =  2.31697260824591 Angstroms
sigma value = 41


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

Energy: 1.2081098641206218
Energy: 0.9326938393374471
Energy: 1.1045875807448855
Energy: 1.1024678387639284
Energy: 0.926621767756728
Energy: 0.898410875494796
Energy: 0.9350688767546326
Energy: 0.898410875494796
Energy: 0.931825480937306
Energy: 0.9261277898271411
Energy: 0.9391649237537772
Energy: 0.9261277898271411
Energy: 0.9330832682766679
Energy: 0.9237518279176153
Energy: 1.0520511507664974
Energy: 0.9237518279176153
Energy: 0.935715292814085
Energy: 0.9019810721715401
Energy: 0.9359302975345914
Energy: 0.9019810721715401
Energy: 1.0542504177551615
Energy: 0.8977158738139704
Energy: 0.9354458377383829
Energy: 0.8977158738139704
Energy: 1.0538909721468714
Energy: 0.8958446237542943
Energy: 0.9368274725239544
Energy: 0.895844623753043
Energy: 0.9706138078294579
Energy: 0.9620091411971542
Energy: 1.0108849262615596
Energy: 0.9620091411971542
Energy: 0.9463244802584204
Energy: 0.8680414868881895
Energy: 0.9581968539713387
Energy: 0.8680414868894409
Energy: 0.9479377135744143
Energy: 0.8684281887776756
Energy: 0.9584907086385125
Energy: 0.8684281887764242
Energy: 0.9500072125198475
Energy: 0.8520442136948777
Energy: 0.9976121832724235
Energy: 0.852044213696129
Energy: 0.9478003385083463
Energy: 0.8514280016923395
Energy: 0.958076359929724
Energy: 0.8514280016935908
Energy: 0.9630627924443059
Energy: 0.8514205494099085
Energy: 0.9594952129033321
Energy: 0.85142054941116
Energy: 0.988676590755488
Energy: 0.8452908353713632
Energy: 0.9314981208281449
Energy: 0.8452908353701117
Energy: 0.92980027154375
Energy: 0.8443354777111457
Energy: 0.9289241749136659
Energy: 0.8443354777111457
Energy: 0.9300693469942218
Energy: 0.84560709223379
Energy: 0.9779647082860884
Energy: 0.84560709223379
Energy: 0.9459025664501589
Energy: 0.8509710506203435
Energy: 0.9886089028479954
Energy: 0.8509710506203435
Energy: 0.938803897083358
Energy: 0.8509913453365414
Energy: 0.9467235724529335
Energy: 0.8509913453365414
Energy: 0.9719419102094424
Energy: 0.8505232689155164
Energy: 0.9465850203425298
Energy: 0.8505232689155164
Energy: 0.9934478225274963
Energy: 0.8684975212538832
Energy: 0.9467817297580906
Energy: 0.8684975212513806
Energy: 1.008600447074468
Energy: 0.8694818089719077
Energy: 0.947930058540737
Energy: 0.8694818089719077
Energy: 1.012738271879741
Energy: 0.8691732649762861
Energy: 0.9708665927556788
Energy: 0.8691732649750347
Energy: 0.9368378243949966
Energy: 0.8966617735363065
Energy: 0.9457078812348569
Energy: 0.8966617735350552
Energy: 0.9359064493242379
Energy: 0.8962041426365128
Energy: 1.0069371436784051
Energy: 0.8962041426352616
Energy: 0.9354493948535365
Energy: 0.8991117172804939
Energy: 1.0059244289112184
Energy: 0.8991117172804939
Energy: 0.9445037529479556
Energy: 0.9256026223193975
Energy: 0.9335291838249169
Energy: 0.9256026223193975
Energy: 0.9335994438479531
Energy: 0.9239617607767662
Energy: 0.931915176219167
Energy: 0.9239617607767662
Energy: 0.9357534108392906
Energy: 0.9577112898744452
Energy: 0.9317394533474818
Energy: 0.9577112898756966
Energy: 0.9350008731050308
Energy: 0.924067341509363
Energy: 0.9327648128102307
Energy: 0.924067341509363
Energy: 0.9317487430862924
Energy: 0.9250744094256963
Energy: 0.9343968796767153
Energy: 0.925074409424445
Energy: 0.9314621513423413
Energy: 0.930771676064168
Energy: 0.9320927475415006
Energy: 0.9307716760654194
Energy: 0.9417638341505083
Energy: 0.924297093819285
Energy: 0.935555117643719
Energy: 0.924297093819285

minimum gb energy = 0.8443354777111457 eV
minimum distance =  2.32645840080171 Angstroms
sigma value = 15


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

Energy: 1.0753881409480914
Energy: 0.8748011183562991
Energy: 1.0197888150070058
Energy: 1.0189857049585536
Energy: 0.870440777127151
Energy: 0.8441867551943827
Energy: 0.8772361864087781
Energy: 0.8441867551943827
Energy: 0.8737745564234792
Energy: 0.8685687195881885
Energy: 0.8826373121473586
Energy: 0.8685687195881885
Energy: 0.8753002398089909
Energy: 0.8675378974482828
Energy: 0.9940317800044258
Energy: 0.8675378974482828
Energy: 0.8778177900474042
Energy: 0.8565386367686028
Energy: 0.8773428103058686
Energy: 0.8565386367696627
Energy: 0.8915798057173875
Energy: 0.8433591352099843
Energy: 0.8851466318659659
Energy: 0.8433591352089242
Energy: 0.902515525146168
Energy: 0.843415775069302
Energy: 0.8781510102645946
Energy: 0.843415775069302
Energy: 0.8877944049720435
Energy: 0.9086991880305899
Energy: 0.8900176431141906
Energy: 0.90869918803165
Energy: 0.888573509221456
Energy: 0.816771873154803
Energy: 0.9041012107798289
Energy: 0.816771873154803
Energy: 0.8872764380047138
Energy: 0.8161344251112963
Energy: 0.9158499337995063
Energy: 0.8161344251112963
Energy: 0.8983046623743334
Energy: 0.7973426548975601
Energy: 0.9089950467421432
Energy: 0.7973426548975601
Energy: 0.8871565543320294
Energy: 0.7973981858790733
Energy: 0.8962197633016619
Energy: 0.7973981858790733
Energy: 0.9241619733195289
Energy: 0.797928054543968
Energy: 0.896244666097658
Energy: 0.797928054543968
Energy: 0.9259067841400513
Energy: 0.7856487745761
Energy: 0.8888130432930718
Energy: 0.7856487745761
Energy: 0.9131335777696112
Energy: 0.7869705551140144
Energy: 0.883977330260266
Energy: 0.7869705551129543
Energy: 0.8901941846759469
Energy: 0.7867671563918079
Energy: 0.9240714622632801
Energy: 0.7867671563928679
Energy: 0.8802409743558933
Energy: 0.7833412458723179
Energy: 0.9267661863279038
Energy: 0.783341245873378
Energy: 0.8747578116303567
Energy: 0.7821733088991736
Energy: 0.8752943408064547
Energy: 0.7821733088991736
Energy: 0.9269297946084208
Energy: 0.7830326181439646
Energy: 0.8818934538792851
Energy: 0.7830326181450247
Energy: 0.9242927055563595
Energy: 0.7871805095391814
Energy: 0.896882957545781
Energy: 0.7871805095381214
Energy: 0.882759310223242
Energy: 0.7871349324570143
Energy: 0.914471137145875
Energy: 0.7871349324559542
Energy: 0.8909472341224365
Energy: 0.785761130065446
Energy: 0.9252336309074815
Energy: 0.785761130065446
Energy: 0.8954390173885461
Energy: 0.7983072231599907
Energy: 0.9243557203650331
Energy: 0.7983072231599907
Energy: 0.897026631436603
Energy: 0.7971562967462975
Energy: 0.8970659647176685
Energy: 0.7971562967441773
Energy: 0.9090202020686058
Energy: 0.7974356471609948
Energy: 0.8877076306316393
Energy: 0.7974356471609948
Energy: 0.9087174285119977
Energy: 0.8156983650983224
Energy: 0.8870988998868335
Energy: 0.8156983650972623
Energy: 0.8951517322100482
Energy: 0.8165871292050734
Energy: 0.8878260078248685
Energy: 0.8165871292061334
Energy: 0.9623195918798297
Energy: 0.8172610318522548
Energy: 0.8893531052034143
Energy: 0.8172610318522548
Energy: 0.8778859986295128
Energy: 0.8432690321869473
Energy: 0.8757421385757732
Energy: 0.8432690321858872
Energy: 0.8837976845840704
Energy: 0.843274959703801
Energy: 0.888593187213287
Energy: 0.843274959704861
Energy: 0.8774266345161542
Energy: 0.8834396938699185
Energy: 0.8881112202754805
Energy: 0.8834396938688585
Energy: 0.8862386506823428
Energy: 0.8675380114801602
Energy: 0.8747966451547838
Energy: 0.8675380114791001
Energy: 0.877403647477805
Energy: 0.8680288888419561
Energy: 0.8740482620381421
Energy: 0.8680288888419561
Energy: 0.8772976424849322
Energy: 0.8443635714148479
Energy: 0.873907934694484
Energy: 0.8443635714148479
Energy: 1.0187585357867823
Energy: 1.0154371749435136
Energy: 0.874640510965018
Energy: 1.0154371749435136
Energy: 0.8736512023834014
Energy: 0.8696637689926758
Energy: 0.8762422061369333
Energy: 0.8696637689916157
Energy: 0.881003657167454
Energy: 0.8688438780453476
Energy: 0.8740133839022882
Energy: 0.8688438780474677

minimum gb energy = 0.7821733088991736 eV
minimum distance =  2.32631003039124 Angstroms
sigma value = 85


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

Energy: 0.8794247879153113
Energy: 0.7511649280388949
Energy: 0.8915893974432454
Energy: 0.8859445948717988
Energy: 0.7585565789193437
Energy: 0.7445923244886858
Energy: 0.7789471276087092
Energy: 0.7445923244896051
Energy: 0.7685987991306127
Energy: 0.7630626646309152
Energy: 0.7699523158671226
Energy: 0.7630626646309152
Energy: 0.7695174961682588
Energy: 0.7605998331381006
Energy: 0.7937538744089054
Energy: 0.7605998331381006
Energy: 0.8102093137655753
Energy: 0.7865749324318856
Energy: 0.778932538230273
Energy: 0.7865749324318856
Energy: 0.8159602462965813
Energy: 0.7457351767644894
Energy: 0.7788597083198106
Energy: 0.7457351767644894
Energy: 0.7663188304323469
Energy: 0.7443321178255814
Energy: 0.7793716066444892
Energy: 0.7443321178255814
Energy: 0.8098432289327421
Energy: 0.8093314189573614
Energy: 0.8085584826072716
Energy: 0.8093314189564418
Energy: 0.795138244411821
Energy: 0.7283308670392417
Energy: 0.7802532871234161
Energy: 0.728330867040161
Energy: 0.7950051423426174
Energy: 0.7284235823942383
Energy: 0.8071782098056178
Energy: 0.7284235823942383
Energy: 0.8022086601506876
Energy: 0.7193962299026142
Energy: 0.8320444619917977
Energy: 0.7193962299026142
Energy: 0.8061847456159029
Energy: 0.7180091453011648
Energy: 0.8112835827363064
Energy: 0.7180091453002455
Energy: 0.8370220960581434
Energy: 0.7186437882229927
Energy: 0.8117159640408853
Energy: 0.7186437882211538
Energy: 0.8387003453761078
Energy: 0.7159281791567721
Energy: 0.8118486235824575
Energy: 0.7159281791558736
Energy: 0.8284636184450369
Energy: 0.7136703779788547
Energy: 0.8080948360048328
Energy: 0.7136703779788547
Energy: 0.8143948720782923
Energy: 0.7147061485020928
Energy: 0.8444300476912399
Energy: 0.7147061485039314
Energy: 0.8122359069384948
Energy: 0.7135211634604249
Energy: 0.8448998235636903
Energy: 0.7135211634604249
Energy: 0.8125430456965734
Energy: 0.7129946551290564
Energy: 0.8436555483482742
Energy: 0.7129946551290564
Energy: 0.8500963797205767
Energy: 0.7134978983288072
Energy: 0.8125524662960963
Energy: 0.7134978983278877
Energy: 0.8502618590036906
Energy: 0.7125420025116981
Energy: 0.8121699997489759
Energy: 0.7125420025116981
Energy: 0.8126032739696861
Energy: 0.7126263566482292
Energy: 0.8122271344733721
Energy: 0.7126263566482292
Energy: 0.81222473267727
Energy: 0.7135686789360629
Energy: 0.8511439645791278
Energy: 0.7135686789360629
Energy: 0.8299108500225097
Energy: 0.712585123572237
Energy: 0.8501062599700437
Energy: 0.7125851235731564
Energy: 0.8436267425682288
Energy: 0.7120955488741046
Energy: 0.8122306061644883
Energy: 0.7120955488750241
Energy: 0.8457559827346993
Energy: 0.7144411780199715
Energy: 0.8120505993508402
Energy: 0.7144411780199715
Energy: 0.8445253621949103
Energy: 0.714049857103199
Energy: 0.8287882490598387
Energy: 0.714049857103199
Energy: 0.8117581332192796
Energy: 0.7138235223027455
Energy: 0.8287872195546885
Energy: 0.7138235223027455
Energy: 0.8115992842568676
Energy: 0.7146340889569862
Energy: 0.8371015391972927
Energy: 0.7146340889569862
Energy: 0.8118392331574739
Energy: 0.7183829201922686
Energy: 0.7954670756097805
Energy: 0.7183829201922686
Energy: 0.8129585298027643
Energy: 0.7188785428275096
Energy: 0.7958693350634714
Energy: 0.7188785428275096
Energy: 0.8319221744071346
Energy: 0.7628911607949423
Energy: 0.8020404605567268
Energy: 0.762891160794023
Energy: 0.7905825516173447
Energy: 0.7275775066000782
Energy: 0.7951119713312248
Energy: 0.7275775066000782
Energy: 0.7797800153421167
Energy: 0.7286286991625828
Energy: 0.7950018677623588
Energy: 0.7286286991625828
Energy: 0.7791972739051929
Energy: 0.7457547037418746
Energy: 0.8096172659558335
Energy: 0.7457547037418746
Energy: 0.779713465622107
Energy: 0.7441709601270107
Energy: 0.7975896166611463
Energy: 0.7441709601260913
Energy: 0.778818352141664
Energy: 0.7456460941095411
Energy: 0.809507045901423
Energy: 0.7456460941086218
Energy: 0.7833298135723782
Energy: 0.7463623811449462
Energy: 0.8096037288970099
Energy: 0.7463623811449462
Energy: 0.75134589359485
Energy: 0.7617190999773573
Energy: 0.7708481469297576
Energy: 0.7617190999782766
Energy: 0.7790511358250768
Energy: 0.7615293368912728
Energy: 0.7686480612782615
Energy: 0.7615293368912728
Energy: 0.7788536143402431
Energy: 0.7467140674372522
Energy: 0.7768075169584735
Energy: 0.7467140674381715
Energy: 0.7685761044837064
Energy: 0.7609828055972521
Energy: 0.7681096866280073
Energy: 0.7609828055972521
Energy: 0.7686166920388527
Energy: 0.7461981294418756
Energy: 0.7687096059760117
Energy: 0.746198129442795
Energy: 0.7669608660727363
Energy: 0.7623174618243144
Energy: 0.7686289345869028
Energy: 0.7623174618243144

minimum gb energy = 0.7120955488741046 eV
minimum distance =  2.31309338918586 Angstroms
sigma value = 113


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

Energy: 0.014918055981982767
Energy: 0.015129672482788431
Energy: 0.9473225723373502
Energy: 0.10911950691156919
Energy: 0.0154963757578307
Energy: 0.10903779759097221
Energy: 0.09481043613672284
Energy: 0.10903779759097221
Energy: 0.09444473882290057
Energy: 0.10933115931604982
Energy: 0.015548667426131552
Energy: 0.10933115931604982
Energy: 0.09417595822013784
Energy: 0.10998841365103663
Energy: 0.016934598467149817
Energy: 0.10998841365032985
Energy: 0.0960359581166364
Energy: 0.10898384421593425
Energy: 0.0952031414243076
Energy: 0.10898384421660176
Energy: 0.015572411469245304
Energy: 0.10938754704635234
Energy: 0.09437971285731796
Energy: 0.10938754704635234

minimum gb energy = 0.014918055981982767 eV
minimum distance =  2.45281937569859 Angstroms
sigma value = 1