Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0501993894577035
cohesive_energy=3.5802841752733885
mass=26.981538
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=[2.12357297600262e-19, 2.8429823282013e-19, 3.3137498885695197e-19, 3.69139894296966e-19, 4.0317012600312595e-19, 4.3350093186138e-19, 4.590892948829939e-19, 4.799672586006479e-19, 4.96905469975296e-19, 5.107242434435459e-19, 5.220852779552399e-19, 5.31483646090284e-19, 5.393070745941059e-19, 5.458631813804339e-19, 5.51403508180806e-19, 5.56126724897838e-19, 5.60186640488394e-19, 5.636825899037819e-19, 5.66662638443022e-19, 5.69131592636016e-19, 5.710750328930579e-19, 5.724705287412719e-19, 5.73305262767586e-19, 5.735792349719999e-19, 5.7328763882461195e-19, 5.72364785083428e-19, 5.7076741497933e-19, 5.68489119805782e-19, 5.65142172817356e-19, 5.603084059125779e-19, 5.5382439707478e-19, 5.455203155807579e-19, 5.352135132942359e-19, 5.22684492016356e-19, 5.07651268659534e-19, 4.89726116478342e-19, 4.68341864944344e-19, 4.426493604415199e-19, 4.1143094872803e-19, 3.73036387870854e-19, 3.2537323518598797e-19, 2.6584916887962e-19, 1.9120696385482797e-19, 9.712635081803099e-20, -2.256665788989e-20, -1.7674091102644197e-19, -3.7763944134033597e-19, -6.432723163743659e-19, -1.0025347917227218e-18, -1.502623786669776e-18, -2.23665460283034e-18, -3.3806567848053597e-18]
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: 0.011000890717644832
Energy: 0.04630807498326677
Energy: 0.19689824939563727
Energy: 0.046308074982767095
Energy: 0.04630807498229518
Energy: 0.14903743472697106
Energy: 0.046308074982767095
Energy: 0.14903743472747072
Energy: 0.1968982493946657
Energy: 0.04630807498229518
Energy: 0.011000890717644832
Energy: 0.04630807498423834
Energy: 0.046308074983766434
Energy: 0.14903743472747072
Energy: 0.04630807498229518
Energy: 0.14903743472747072

minimum gb energy = 0.011000890717644832 eV
minimum distance =  2.81569272362981 Angstroms
sigma value = 1


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

Energy: 0.43056545170449845
Energy: 0.34586584530462555
Energy: 0.3465273374803765
Energy: 0.3458658453040196
Energy: 0.31981677298437383
Energy: 0.34671671444324575
Energy: 0.3203960447284388
Energy: 0.34671671444324575
Energy: 0.3464308418788071
Energy: 0.3456961696732666
Energy: 0.47061204813825197
Energy: 0.34569616967447864
Energy: 0.3192881020150162
Energy: 0.31556244675423223
Energy: 0.3199074611351518
Energy: 0.31556244675483824
Energy: 0.4003194005608155
Energy: 0.31499861572382315
Energy: 0.31637804800031466
Energy: 0.3149986157226111
Energy: 0.31852908488525045
Energy: 0.32068585598578436
Energy: 0.3204751625538759
Energy: 0.3206858559869964
Energy: 0.3216791260444323
Energy: 0.3215715683437364
Energy: 0.40031320099872386
Energy: 0.3215715683437364
Energy: 0.3198878387416587
Energy: 0.3250494542244026
Energy: 0.3295224806066911
Energy: 0.3250494542244026
Energy: 0.3496088484630102
Energy: 0.31318216536005394
Energy: 0.3288615335830894
Energy: 0.3131821653606599
Energy: 0.3402935396452394
Energy: 0.31941681654305787
Energy: 0.31646247533536553
Energy: 0.3194168165442699
Energy: 0.31504021685277706
Energy: 0.3130842131257587
Energy: 0.35014905960215764
Energy: 0.31308421312515267
Energy: 0.3213851316020557
Energy: 0.3135074997924102
Energy: 0.3283848449095545
Energy: 0.3135074997930162
Energy: 0.3215049035871205
Energy: 0.3216952225770631
Energy: 0.31865355835855047
Energy: 0.3216952225758511
Energy: 0.32267757239556055
Energy: 0.32081044485942734
Energy: 0.3186657377425302
Energy: 0.3208104448588214
Energy: 0.3184837987814471
Energy: 0.31502762877728213
Energy: 0.3155883433940951
Energy: 0.31502762877728213
Energy: 0.31690252036255384
Energy: 0.31532669184845663
Energy: 0.3197441822672944
Energy: 0.3153266918496686
Energy: 0.34560469411508576
Energy: 0.34514382260769827
Energy: 0.3166471997566061
Energy: 0.34514382260830434
Energy: 0.31606548105930893
Energy: 0.3150466346345636
Energy: 0.3187734555586099
Energy: 0.31504663463335164
Energy: 0.31846618666036497
Energy: 0.34521620933284874
Energy: 0.34745823239066265
Energy: 0.3452162093316368
Energy: 0.31739096782230325
Energy: 0.3149410206180677
Energy: 0.31973307598876616
Energy: 0.31494102061746176
Energy: 0.3177153095678215
Energy: 0.3149473070333285
Energy: 0.39974786727941175
Energy: 0.3149473070339345
Energy: 0.3219262983155994
Energy: 0.3407779922150383
Energy: 0.3183543491742199
Energy: 0.34077799221443233
Energy: 0.40006618534913896
Energy: 0.3212661577401509
Energy: 0.32206117653339245
Energy: 0.32126615773772693
Energy: 0.3314102459966321
Energy: 0.3180195441995569
Energy: 0.31896743927656834
Energy: 0.318019544197739
Energy: 0.32676037796128293
Energy: 0.3133874173474327
Energy: 0.3496574154975318
Energy: 0.3133874173474327
Energy: 0.31758201405850117
Energy: 0.3121263731326678
Energy: 0.3412944188017969
Energy: 0.31212637313327385
Energy: 0.3501629334911368
Energy: 0.31317293528368095
Energy: 0.3151269336442094
Energy: 0.31317293528368095
Energy: 0.3278499503405355
Energy: 0.312908966069654
Energy: 0.320377588649784
Energy: 0.31290896607086605
Energy: 0.31858977170901104
Energy: 0.31621155630214026
Energy: 0.32113759152930194
Energy: 0.3162115563015343
Energy: 0.3118768297603422
Energy: 0.31947173803581025
Energy: 0.32074710616940244
Energy: 0.31947173803520423
Energy: 0.315563487506376
Energy: 0.3145989999205853
Energy: 0.3183388696890074
Energy: 0.3145989999217973
Energy: 0.31949109474602216
Energy: 0.3150348161839196
Energy: 0.31711248391653485
Energy: 0.3150348161851316
Energy: 0.31667211082297675
Energy: 0.3155386880220672
Energy: 0.3455048242358793
Energy: 0.31553868802327917

minimum gb energy = 0.3118768297603422 eV
minimum distance =  2.49922654882507 Angstroms
sigma value = 1


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

Energy: 0.4956234297600765
Energy: 0.3574457798194471
Energy: 0.35864650012113036
Energy: 0.3574457798194471
Energy: 0.3258782956015486
Energy: 0.35515308066866086
Energy: 0.3263830548668092
Energy: 0.35515308066520623
Energy: 0.3583750714387155
Energy: 0.35661285983337476
Energy: 0.45150442803334373
Energy: 0.3566128598368294
Energy: 0.32501750038819915
Energy: 0.32295220063204255
Energy: 0.3266363987596437
Energy: 0.32295220062720603
Energy: 0.45180788668779465
Energy: 0.3226227777014102
Energy: 0.3238831155104385
Energy: 0.32262277769864645
Energy: 0.3266277860003982
Energy: 0.33085788025891744
Energy: 0.3274633287451313
Energy: 0.3308578802602993
Energy: 0.33506605212953633
Energy: 0.33174445795560153
Energy: 0.3780844068734183
Energy: 0.3317444579521783
Energy: 0.32760600780948085
Energy: 0.3256173429193426
Energy: 0.33925298295991474
Energy: 0.325617342914506
Energy: 0.3785920421614961
Energy: 0.32591501084780794
Energy: 0.3470958912323857
Energy: 0.3259150108505716
Energy: 0.33854685742017754
Energy: 0.3262033280227938
Energy: 0.32631680445216243
Energy: 0.32620332802003005
Energy: 0.3259060832202572
Energy: 0.3317166082414902
Energy: 0.33516228801788284
Energy: 0.33171660824563576
Energy: 0.32605731145782296
Energy: 0.3307482696993358
Energy: 0.3294831734052547
Energy: 0.33074826969726295
Energy: 0.3234244573888812
Energy: 0.32228691921153235
Energy: 0.3253879826587786
Energy: 0.32228691921153235
Energy: 0.32580191418243853
Energy: 0.32267234230872216
Energy: 0.3244172847647435
Energy: 0.32267234230388564
Energy: 0.32262510680474865
Energy: 0.3563832298077137
Energy: 0.3572595412579591
Energy: 0.3563832298077137
Energy: 0.3257132480149016
Energy: 0.32282895695004193
Energy: 0.3265881578762914
Energy: 0.3228289569534652
Energy: 0.3572397303610415
Energy: 0.3561825809040118
Energy: 0.3249607186918653
Energy: 0.3561825809060846
Energy: 0.32518329429344905
Energy: 0.322738353079274
Energy: 0.3250798364901602
Energy: 0.3227383530778921
Energy: 0.3257630545953202
Energy: 0.32259565568429704
Energy: 0.3254196721888244
Energy: 0.32259565568084236
Energy: 0.32591395184811317
Energy: 0.3222504919511705
Energy: 0.32804934666576496
Energy: 0.3222504919490977
Energy: 0.334005740097071
Energy: 0.3321604833419823
Energy: 0.3777627176741961
Energy: 0.3321604833385276
Energy: 0.3273207884083919
Energy: 0.3311727734731233
Energy: 0.3407184372290509
Energy: 0.3311727734696686
Energy: 0.37875340745962155
Energy: 0.32643890336340675
Energy: 0.3431781525278178
Energy: 0.32643890336202486
Energy: 0.33869348178954534
Energy: 0.32534534659754155
Energy: 0.32844842165801036
Energy: 0.3253453466009962
Energy: 0.3257870826740663
Energy: 0.331868781647585
Energy: 0.3350739492452785
Energy: 0.33186878165103967
Energy: 0.3261219183592811
Energy: 0.3297440420160645
Energy: 0.32787817658980295
Energy: 0.3297440420146826
Energy: 0.32317385884647243
Energy: 0.3221973632289895
Energy: 0.32525776064830386
Energy: 0.32219736322484394
Energy: 0.3256767711334734
Energy: 0.3220906826175254
Energy: 0.3232184878389963
Energy: 0.32209068261199797
Energy: 0.3222267293408876
Energy: 0.3234249303294947
Energy: 0.35679325096862996
Energy: 0.32342493033294933

minimum gb energy = 0.32209068261199797 eV
minimum distance =  2.4905686434064 Angstroms
sigma value = 25


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

Energy: 0.4726259345775086
Energy: 0.3687922130019002
Energy: 0.36848841424366746
Energy: 0.368792213001097
Energy: 0.3329121111017459
Energy: 0.3617045173620848
Energy: 0.33322867585028576
Energy: 0.3617045173620848
Energy: 0.368884494243556
Energy: 0.3681403931431798
Energy: 0.42455705737880794
Energy: 0.3681403931415734
Energy: 0.33085784414407376
Energy: 0.3292240208712793
Energy: 0.33298644803453414
Energy: 0.3292240208712793
Energy: 0.3318242512780145
Energy: 0.3294091525993017
Energy: 0.32944116550629693
Energy: 0.3294091525993017
Energy: 0.3369023743212831
Energy: 0.3563123663691883
Energy: 0.3328864175710551
Energy: 0.3563123663699914
Energy: 0.3388805139712862
Energy: 0.3435409290639182
Energy: 0.3545592268867216
Energy: 0.34354092906552464
Energy: 0.3356488214619474
Energy: 0.3401064663609983
Energy: 0.3346850219631237
Energy: 0.3401064663609983
Energy: 0.35600117809324894
Energy: 0.343156591074397
Energy: 0.33355865221679754
Energy: 0.3431565910735938
Energy: 0.3364751151065263
Energy: 0.3424178418259481
Energy: 0.3321129024674239
Energy: 0.3424178418259481
Energy: 0.32673395584644804
Energy: 0.3296539217047695
Energy: 0.3286226060206951
Energy: 0.32965392170396635
Energy: 0.32661915203084757
Energy: 0.33012878951711044
Energy: 0.3325670676701154
Energy: 0.33012878951711044
Energy: 0.36745450251953177
Energy: 0.36737666170853334
Energy: 0.32592482866772454
Energy: 0.3673766617101397
Energy: 0.33311078799792326
Energy: 0.32963872683650397
Energy: 0.3331584863529205
Energy: 0.3296387268357007
Energy: 0.3317966037602023
Energy: 0.3676583776342425
Energy: 0.36981056669900647
Energy: 0.3676583776334393
Energy: 0.3352609672791698
Energy: 0.3289059989574866
Energy: 0.3306212568838348
Energy: 0.3289059989574866
Energy: 0.3317985274741721
Energy: 0.3288227473124783
Energy: 0.33119591116656166
Energy: 0.32882274731488786
Energy: 0.32943660121383966
Energy: 0.32895683700168765
Energy: 0.338287733671525
Energy: 0.32895683700168765
Energy: 0.35451245260833997
Energy: 0.34490964335561564
Energy: 0.3386225675224739
Energy: 0.3449096433572221
Energy: 0.33484870520053417
Energy: 0.34344732983126725
Energy: 0.3370834080352176
Energy: 0.34344732982966086
Energy: 0.333302758309503
Energy: 0.3434492052957258
Energy: 0.35600898400903747
Energy: 0.34344920529652895
Energy: 0.3330002376765669
Energy: 0.3424967522629536
Energy: 0.33607818541393547
Energy: 0.34249675226455994
Energy: 0.33052078004429597
Energy: 0.3297577657691584
Energy: 0.3269966496563492
Energy: 0.3297577657691584
Energy: 0.33236685501088725
Energy: 0.3295153268440651
Energy: 0.3266885297553985
Energy: 0.32951532684486823
Energy: 0.3256588074015582
Energy: 0.33167904180259683
Energy: 0.36754748105204793
Energy: 0.33167904180420316

minimum gb energy = 0.3256588074015582 eV
minimum distance =  2.49300687371826 Angstroms
sigma value = 9


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

Energy: 0.47269266227987783
Energy: 0.38740686146019065
Energy: 0.38794570044095716
Energy: 0.38740686146019065
Energy: 0.35507665708656533
Energy: 0.3731208236580265
Energy: 0.34835766031439264
Energy: 0.3731208236580265
Energy: 0.3892730820615847
Energy: 0.38822630163651706
Energy: 0.5409965073152162
Energy: 0.3882263016355588
Energy: 0.34801838394759194
Energy: 0.37324874691347026
Energy: 0.3484839833388655
Energy: 0.37324874691347026
Energy: 0.33048169186898163
Energy: 0.3535343097184468
Energy: 0.3513176152938414
Energy: 0.35353430971748867
Energy: 0.36628831496272485
Energy: 0.3773781041060189
Energy: 0.3496473056735767
Energy: 0.37737810410506073
Energy: 0.3551773469353906
Energy: 0.3655450677231541
Energy: 0.3485012571051778
Energy: 0.3655450677231541
Energy: 0.3554791461388675
Energy: 0.36616853275158934
Energy: 0.37858396555761503
Energy: 0.36616853275158934
Energy: 0.36509061712234825
Energy: 0.37047683135803666
Energy: 0.3523586269224479
Energy: 0.37047683135899484
Energy: 0.3451619244504595
Energy: 0.35295099666990204
Energy: 0.33380096239366075
Energy: 0.35295099666990204
Energy: 0.3225849362393844
Energy: 0.324068837285482
Energy: 0.3323513000751141
Energy: 0.3240688372845239
Energy: 0.34840477981820733
Energy: 0.32406361254065996
Energy: 0.33196682593684934
Energy: 0.32406361254065996
Energy: 0.40842926693826453
Energy: 0.4082110786283231
Energy: 0.4076936332613275
Energy: 0.40821107862736494
Energy: 0.34785098342057
Energy: 0.36210238574585446
Energy: 0.3421487548121093
Energy: 0.3621023857468125
Energy: 0.330711670773044
Energy: 0.3491344478170927
Energy: 0.348277770392563
Energy: 0.34913444781613445
Energy: 0.35388544880580886
Energy: 0.34941667084992123
Energy: 0.34810513523121234
Energy: 0.34941667085087946
Energy: 0.35366067149032815
Energy: 0.37222218485981495
Energy: 0.3477395303801268
Energy: 0.37222218485981495
Energy: 0.3527695071295323
Energy: 0.3718363559378769
Energy: 0.3480347125779272
Energy: 0.37183635593404435
Energy: 0.345994507393832
Energy: 0.35151108028083916
Energy: 0.3520209305345166
Energy: 0.35151108027892286
Energy: 0.34852822326914
Energy: 0.3517825421728883
Energy: 0.3346017394738309
Energy: 0.35178254217576277
Energy: 0.3335580637960717
Energy: 0.35534313585111443
Energy: 0.3856608621227005
Energy: 0.35534313585111443

minimum gb energy = 0.3225849362393844 eV
minimum distance =  2.47446053728623 Angstroms
sigma value = 25


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

Energy: 0.3910781627164068
Energy: 0.3875956128923866
Energy: 0.3884360412226995
Energy: 0.38759561289120165
Energy: 0.3314238553677119
Energy: 0.34858052004184975
Energy: 0.32931733952910824
Energy: 0.3485805200430347
Energy: 0.3876336653755107
Energy: 0.38748406457746987
Energy: 0.3167566484183762
Energy: 0.3874840645762849
Energy: 0.318605119441525
Energy: 0.3484349484402161
Energy: 0.329521158389018
Energy: 0.34843494843903117
Energy: 0.3502531917059628
Energy: 0.35391332067410297
Energy: 0.3301267473748529
Energy: 0.35391332067410297
Energy: 0.318459857174815
Energy: 0.35404350843840376
Energy: 0.3295412131875454
Energy: 0.35404350843840376
Energy: 0.31582737609432093
Energy: 0.3539104643817808
Energy: 0.35142019249055884
Energy: 0.3539104643817808
Energy: 0.3158821924742902
Energy: 0.3533354394909065
Energy: 0.3309496318234227
Energy: 0.35333543948972157
Energy: 0.38645205189841253
Energy: 0.3856466847355207
Energy: 0.3152490342825233
Energy: 0.3856466847355207
Energy: 0.33048103001916224
Energy: 0.34956411526000397
Energy: 0.316388252345048
Energy: 0.3495641152588191
Energy: 0.31710793138148424
Energy: 0.3868389353359063
Energy: 0.3906491960182389
Energy: 0.3868389353347214
Energy: 0.31704088909041256
Energy: 0.3495478853911822
Energy: 0.31863619240874014
Energy: 0.3495478853911822
Energy: 0.3299435090648393
Energy: 0.35383848663056794
Energy: 0.35048884646239586
Energy: 0.3538384866317529
Energy: 0.3298079757792275
Energy: 0.3539779189619279
Energy: 0.3192900358053229
Energy: 0.353977918960743
Energy: 0.35378397896256625
Energy: 0.35338579662508657
Energy: 0.31580624193211965
Energy: 0.35338579662508657
Energy: 0.3297352813809046
Energy: 0.3538194227021039
Energy: 0.3160041006041421
Energy: 0.35381942270091893
Energy: 0.31543740108750795
Energy: 0.35775180819360203
Energy: 0.38519068233354575
Energy: 0.35775180819360203

minimum gb energy = 0.3152490342825233 eV
minimum distance =  2.55310345857159 Angstroms
sigma value = 17


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

Energy: 0.5454039547243291
Energy: 0.43256806655645763
Energy: 0.4326263099557633
Energy: 0.43256806655578656
Energy: 0.34817657874145674
Energy: 0.350339070496795
Energy: 0.3488144311980337
Energy: 0.350339070496795
Energy: 0.3562794649422006
Energy: 0.35642799309018725
Energy: 0.37059012882218506
Energy: 0.3564279930935428
Energy: 0.3489166134013512
Energy: 0.379318640576291
Energy: 0.3485018066468694
Energy: 0.3793186405769621
Energy: 0.3773984987519449
Energy: 0.3833005741431562
Energy: 0.36688132618596203
Energy: 0.3833005741424851
Energy: 0.3497482642906858
Energy: 0.38391195555377833
Energy: 0.34913910628223094
Energy: 0.3839119555531072
Energy: 0.3737393212864706
Energy: 0.3557846943208664
Energy: 0.35779029231860965
Energy: 0.3557846943215374
Energy: 0.3703274348602675
Energy: 0.3523363112175701
Energy: 0.34892025086329237
Energy: 0.35233631121824116
Energy: 0.43689936467587576
Energy: 0.4329659791177997
Energy: 0.37063040600596586
Energy: 0.4329659791177997
Energy: 0.42246082470462015
Energy: 0.37521778327611033
Energy: 0.3484653692386726
Energy: 0.37521778327745253
Energy: 0.3758108550872686
Energy: 0.3521795282440076
Energy: 0.3357812902394511
Energy: 0.35217952824467874
Energy: 0.374019176920666
Energy: 0.35225392076907397
Energy: 0.34927965441032804
Energy: 0.35225392077108725
Energy: 0.37167130740002025
Energy: 0.3521404276652773
Energy: 0.34860909293684283
Energy: 0.3521404276639351
Energy: 0.37162907478280394
Energy: 0.35239023688178334
Energy: 0.3363372409715118
Energy: 0.35239023688178334
Energy: 0.4329128520739704
Energy: 0.39412396316760323
Energy: 0.36964397953123757
Energy: 0.3941239631682743
Energy: 0.4401806422467779
Energy: 0.3880049689627945
Energy: 0.37052668852509785
Energy: 0.3880049689627945
Energy: 0.3700932574020865
Energy: 0.3484605295425664
Energy: 0.3555913790518604
Energy: 0.3484605295425664
Energy: 0.3703548270296195
Energy: 0.34829234654856933
Energy: 0.3560134870710649
Energy: 0.34829234654856933
Energy: 0.3524519784347832
Energy: 0.38381883669335026
Energy: 0.3749155805723038
Energy: 0.3838188366940214
Energy: 0.3690924664775772
Energy: 0.38462995572566566
Energy: 0.34984818651467514
Energy: 0.38462995572700787
Energy: 0.3500690830589645
Energy: 0.35075346521004824
Energy: 0.3706139489519373
Energy: 0.35075346520937717
Energy: 0.35545657923025953
Energy: 0.35590208402050416
Energy: 0.3694705140677916
Energy: 0.35590208402184637
Energy: 0.3477225284975645
Energy: 0.36859572954184017
Energy: 0.3487444080378919
Energy: 0.36859572953848474
Energy: 0.370727407895427
Energy: 0.43315153169281223
Energy: 0.43297569903665334
Energy: 0.43315153169214116
Energy: 0.3474886934137834
Energy: 0.3522564439594428
Energy: 0.3716024621818706
Energy: 0.3522564439581006
Energy: 0.34937454455697464
Energy: 0.35218356093233477
Energy: 0.37483648730202057
Energy: 0.3521835609309926
Energy: 0.3357111928718276
Energy: 0.3481016830582134
Energy: 0.3712470029430878
Energy: 0.34810168305754235
Energy: 0.3494679448365077
Energy: 0.35229093592572774
Energy: 0.37174294602378866
Energy: 0.35229093592706995
Energy: 0.3476201084764312
Energy: 0.3528937860763121
Energy: 0.370545183910926
Energy: 0.3528937860756409
Energy: 0.37050217178605555
Energy: 0.4325830883428574
Energy: 0.4320087789925143
Energy: 0.4325830883421863

minimum gb energy = 0.3357111928718276 eV
minimum distance =  2.58909837759402 Angstroms
sigma value = 53


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

Energy: 0.5011905670063358
Energy: 0.38335149332247137
Energy: 0.3846628887283612
Energy: 0.38335149332247137
Energy: 0.3709707686518582
Energy: 0.3243515677339682
Energy: 0.3831696343757943
Energy: 0.32435156773860313
Energy: 0.3836084379593638
Energy: 0.38323100940736926
Energy: 0.3726354492485942
Energy: 0.3832310094058243
Energy: 0.37299535761073777
Energy: 0.3250552952371742
Energy: 0.36730554753818556
Energy: 0.3250552952371742
Energy: 0.3765858959515432
Energy: 0.32439202711352705
Energy: 0.2956993518098991
Energy: 0.32439202711352705
Energy: 0.3661185249015403
Energy: 0.3262661974760858
Energy: 0.29576004750575663
Energy: 0.3262661974760858
Energy: 0.4410890620607538
Energy: 0.38207765111305464
Energy: 0.382995066973694
Energy: 0.38207765111459957
Energy: 0.442041187518614
Energy: 0.32554778342565677
Energy: 0.38221045993171077
Energy: 0.32554778342720175
Energy: 0.3840971742257915
Energy: 0.3828425064210954
Energy: 0.372991712325924
Energy: 0.3828425064210954
Energy: 0.37229205230528584
Energy: 0.3247464278789959
Energy: 0.3721885353344749
Energy: 0.3247464278789959
Energy: 0.37698038184282157
Energy: 0.32696210616667526
Energy: 0.3049138703989944
Energy: 0.3269621061651303
Energy: 0.372539047659714
Energy: 0.3241363522541249
Energy: 0.2980472151301164
Energy: 0.3241363522541249
Energy: 0.44241016876184286
Energy: 0.32573559283034237
Energy: 0.38119975491223146
Energy: 0.32573559283034237

minimum gb energy = 0.2956993518098991 eV
minimum distance =  2.58501017863557 Angstroms
sigma value = 9


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

Energy: 0.5383869602402961
Energy: 0.4539410512727331
Energy: 0.45411377317973933
Energy: 0.4539410512721613
Energy: 0.38804912335857605
Energy: 0.34816390312534806
Energy: 0.47720922710278035
Energy: 0.3481639031242044
Energy: 0.3517508385665029
Energy: 0.34721393875456835
Energy: 0.4557377782309414
Energy: 0.34721393875113743
Energy: 0.35008183122373987
Energy: 0.3483944808735812
Energy: 0.47332856465507966
Energy: 0.3483944808695784
Energy: 0.34813945093027354
Energy: 0.3468756722301847
Energy: 0.4658719209382709
Energy: 0.3468756722359029
Energy: 0.3474623197126833
Energy: 0.3484957028480422
Energy: 0.4779002466854153
Energy: 0.34849570284632675
Energy: 0.4642825691070173
Energy: 0.4380844927441667
Energy: 0.4451737725152521
Energy: 0.4380844927475976
Energy: 0.46319283739063427
Energy: 0.3476996485394065
Energy: 0.43734365123930435
Energy: 0.34769964854112195
Energy: 0.3768395076450407
Energy: 0.38130769508079976
Energy: 0.39142100627519383
Energy: 0.38130769508022794
Energy: 0.35911999599499284
Energy: 0.37937814781887425
Energy: 0.4328719134048857
Energy: 0.37937814782459245
Energy: 0.37554065968769995
Energy: 0.37903324173155273
Energy: 0.47085116488879275
Energy: 0.37903324173269637
Energy: 0.3781051246162652
Energy: 0.37602000165026983
Energy: 0.46685500375226074
Energy: 0.37602000164512345
Energy: 0.4778488026984759
Energy: 0.3800276046883379
Energy: 0.4304988808041817
Energy: 0.38002760468319147
Energy: 0.46868603617527277
Energy: 0.3848241903504696
Energy: 0.387175791040146
Energy: 0.38482419034932597
Energy: 0.416496790532487
Energy: 0.4031141105949165
Energy: 0.3977041980721829
Energy: 0.4031141105949165
Energy: 0.4242404860530303
Energy: 0.4013984219645722
Energy: 0.3951707885871118
Energy: 0.4013984219725777
Energy: 0.42767693661551837
Energy: 0.34550378775702256
Energy: 0.4141520566521597
Energy: 0.34550378775873797
Energy: 0.41222648117438515
Energy: 0.40987538346070734
Energy: 0.46094500403585087
Energy: 0.4098753834589919
Energy: 0.41868100928812324
Energy: 0.345524305044928
Energy: 0.4245500989948361
Energy: 0.3455243050460717
Energy: 0.4690151602338234
Energy: 0.36266120937402097
Energy: 0.3672962637540749
Energy: 0.36266120937287727
Energy: 0.4529775258472773
Energy: 0.372727567565948
Energy: 0.3641760500936806
Energy: 0.37272756756256903
Energy: 0.4729802707796443
Energy: 0.3570490012953671
Energy: 0.3567113027147116
Energy: 0.35704900129079253
Energy: 0.465885287652742
Energy: 0.3566046493674515
Energy: 0.36765389243994573
Energy: 0.35660464937374153
Energy: 0.43798916544718935
Energy: 0.43571771340149024
Energy: 0.46448863012625047
Energy: 0.4357177134037775
Energy: 0.43831364797037004
Energy: 0.3695493282204042
Energy: 0.4633488044923542
Energy: 0.3695493282198324
Energy: 0.39168512396768806
Energy: 0.3842526249209478
Energy: 0.3746419412830004
Energy: 0.3842526249209478
Energy: 0.4395176983514657
Energy: 0.3689938793412019
Energy: 0.3589526559476563
Energy: 0.3689938793366273
Energy: 0.4602299145306235
Energy: 0.3771407840512987
Energy: 0.37512834027406394
Energy: 0.3771407840490114
Energy: 0.4658398022029311
Energy: 0.38971836621664263
Energy: 0.37531700138096763
Energy: 0.3897183662126399
Energy: 0.42025334991542435
Energy: 0.3680971525144517
Energy: 0.463599725789483
Energy: 0.3680971525150235
Energy: 0.37970486642843715
Energy: 0.3742122382569942
Energy: 0.4540584121072051
Energy: 0.3742122382581378
Energy: 0.3790131233482125
Energy: 0.38066338281128503
Energy: 0.4355095876293906
Energy: 0.38066338281300044
Energy: 0.3797513849126132
Energy: 0.38370344863984335
Energy: 0.42329537691499836
Energy: 0.3837034486375561
Energy: 0.3749597952316632
Energy: 0.3479965635449812
Energy: 0.41746011970962393
Energy: 0.3479965635461248
Energy: 0.4660639079885842
Energy: 0.43433585541279895
Energy: 0.4384282590567423
Energy: 0.4343358554139426

minimum gb energy = 0.34550378775702256 eV
minimum distance =  2.49346135401657 Angstroms
sigma value = 73


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

Energy: 0.5345796772849147
Energy: 0.43593136261270726
Energy: 0.4353850452532381
Energy: 0.43593136261361454
Energy: 0.3567481934500808
Energy: 0.38725519885909687
Energy: 0.4089353264462454
Energy: 0.3872551988600041
Energy: 0.3542717967014748
Energy: 0.3549814531504793
Energy: 0.42495262272116596
Energy: 0.3549814531513866
Energy: 0.3541450790501333
Energy: 0.35539985860069645
Energy: 0.4634684577748293
Energy: 0.35539985860160367
Energy: 0.35894343413656615
Energy: 0.35677977418810913
Energy: 0.45751885618784693
Energy: 0.35677977418810913
Energy: 0.3868423217845131
Energy: 0.3572996423358368
Energy: 0.45696799176705327
Energy: 0.3572996423349295
Energy: 0.40030466410697313
Energy: 0.42278003575035256
Energy: 0.4338486504397737
Energy: 0.42278003574944534
Energy: 0.39963422500937734
Energy: 0.35440946471299567
Energy: 0.42821094304970303
Energy: 0.35440946471299567
Energy: 0.3886999737120111
Energy: 0.39242895679367196
Energy: 0.427432294397591
Energy: 0.39242895679457923
Energy: 0.3716771542047849
Energy: 0.35170396718992325
Energy: 0.42165546425806155
Energy: 0.35170396718901603
Energy: 0.38050104029001486
Energy: 0.3445064278093233
Energy: 0.4509555614206222
Energy: 0.34450642781113777
Energy: 0.3716166000121804
Energy: 0.34724547419815555
Energy: 0.44362290004450666
Energy: 0.34724547419815555
Energy: 0.4251632825392743
Energy: 0.3921581392266661
Energy: 0.3688491145188902
Energy: 0.3921581392266661
Energy: 0.4231361254339558
Energy: 0.3478164778055058
Energy: 0.3779081395435683
Energy: 0.3478164778073203
Energy: 0.42990055920543613
Energy: 0.3844366877487023
Energy: 0.3669696062861399
Energy: 0.3844366877496096
Energy: 0.45779513186599863
Energy: 0.36842310380376675
Energy: 0.36814281367269286
Energy: 0.3684231038028801
Energy: 0.45712016901282554
Energy: 0.38238288683427585
Energy: 0.401472544248132
Energy: 0.38238288683155414
Energy: 0.437816435630626
Energy: 0.41702437650920005
Energy: 0.39998469472042225
Energy: 0.4170243765110146
Energy: 0.4115416039491116
Energy: 0.38162085858502287
Energy: 0.39963278403722435
Energy: 0.38162085858230116
Energy: 0.4110473118038253
Energy: 0.39006727222076126
Energy: 0.4092724810440387
Energy: 0.39006727222076126
Energy: 0.4121069908739076
Energy: 0.3833121536661789
Energy: 0.37225130106892357
Energy: 0.38331215366708615
Energy: 0.4529726255646455
Energy: 0.38348695478355965
Energy: 0.4103756292949849
Energy: 0.38348695478355965

minimum gb energy = 0.3445064278093233 eV
minimum distance =  2.51942239874815 Angstroms
sigma value = 7


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

Energy: 0.654680469173543
Energy: 0.44532370767050444
Energy: 0.4487786293063575
Energy: 0.44532370766922136
Energy: 0.3673241260658724
Energy: 0.3621731853129294
Energy: 0.43902372040215004
Energy: 0.36217318531036335
Energy: 0.3577127380733303
Energy: 0.3632351316070925
Energy: 0.4016849854008275
Energy: 0.36323513160837545
Energy: 0.35980613546674806
Energy: 0.35964252012949316
Energy: 0.4543160755222673
Energy: 0.35964252013590836
Energy: 0.36711831348616353
Energy: 0.3643447212961522
Energy: 0.4390389707417926
Energy: 0.36434472129358614
Energy: 0.4024274916970218
Energy: 0.3658427239070886
Energy: 0.4392787043622087
Energy: 0.36584272390516404
Energy: 0.45729367531499543
Energy: 0.3644067749937305
Energy: 0.3717282632350958
Energy: 0.36440677499501356
Energy: 0.45356355851116853
Energy: 0.36557583273949107
Energy: 0.36431244461151613
Energy: 0.36557583274141564
Energy: 0.4389108559344159
Energy: 0.3606523412896339
Energy: 0.358434724125306
Energy: 0.36065234129027546
Energy: 0.4445044859894604
Energy: 0.39396228932612826
Energy: 0.3656153160826947
Energy: 0.39396228932997734
Energy: 0.45147556063817607
Energy: 0.35904985045561366
Energy: 0.45069385642097215
Energy: 0.3590498504543306
Energy: 0.41530764596847475
Energy: 0.40345697811646014
Energy: 0.4522863587424837
Energy: 0.40345697811710174
Energy: 0.4105044775627545
Energy: 0.3869990680826235
Energy: 0.41298766527046477
Energy: 0.3869990680858311
Energy: 0.4043759350307029
Energy: 0.38449425872625387
Energy: 0.3658105909270097
Energy: 0.38449425872882
Energy: 0.4143236306475847
Energy: 0.38711502058991026
Energy: 0.37372404426660577
Energy: 0.3871150205931178
Energy: 0.4548690243717507
Energy: 0.4032319404793048
Energy: 0.41284720933650004
Energy: 0.40323194048571986
Energy: 0.4519533403866849
Energy: 0.35912780727500454
Energy: 0.45578383422006785
Energy: 0.359127807274363
Energy: 0.3707028955609344
Energy: 0.39403695881071094
Energy: 0.40257322043795496
Energy: 0.39403695880365425
Energy: 0.3590193377724304
Energy: 0.3607936023904429
Energy: 0.4546331619186308
Energy: 0.36079360238980135
Energy: 0.3646334303656258
Energy: 0.36639418871337726
Energy: 0.4288688894930353
Energy: 0.3663941887076036
Energy: 0.3718122992058017
Energy: 0.3640979696301068
Energy: 0.4392138792662013
Energy: 0.3640979696268992
Energy: 0.45408740809808307
Energy: 0.36572240668724454
Energy: 0.4022600620625849
Energy: 0.3657224066891691
Energy: 0.45492283199756806
Energy: 0.3643117284520455
Energy: 0.36670001893446247
Energy: 0.3643117284520455
Energy: 0.45419286681809556
Energy: 0.3606283202648834
Energy: 0.35960808387440363
Energy: 0.36062832026231734
Energy: 0.44223557833018234
Energy: 0.3631182921721504
Energy: 0.3578056859153727
Energy: 0.3631182921708674
Energy: 0.4479354516900109
Energy: 0.3609634014426491
Energy: 0.36442948571809236
Energy: 0.3609634014477813
Energy: 0.4462714399692233
Energy: 0.445060632408923
Energy: 0.5484733317129656
Energy: 0.44506063239737575
Energy: 0.41226664623778947
Energy: 0.39378055559865904
Energy: 0.41247068682375
Energy: 0.393780555596093
Energy: 0.403024359886599
Energy: 0.3942296580376871
Energy: 0.406798437080854
Energy: 0.3942296580344795
Energy: 0.4118845876117554
Energy: 0.38518976320264425
Energy: 0.36552370861113237
Energy: 0.38518976320328574
Energy: 0.45511347349268455
Energy: 0.412148109474687
Energy: 0.41146636991542723
Energy: 0.4121481094740455

minimum gb energy = 0.3577127380733303 eV
minimum distance =  2.56530066588862 Angstroms
sigma value = 29


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

Energy: 0.33505737096699345
Energy: 0.4314148894417454
Energy: 0.4190410699882397
Energy: 0.4314148894428378
Energy: 0.35380892106281414
Energy: 0.3875352606352777
Energy: 0.3525789117225422
Energy: 0.38753526063547633
Energy: 0.35394221463031417
Energy: 0.345084728234181
Energy: 0.34885726202421663
Energy: 0.34508472823244296
Energy: 0.3547309089684819
Energy: 0.3792546202210536
Energy: 0.37128352062048614
Energy: 0.3792546202210536
Energy: 0.3524926580233225
Energy: 0.35379220108039766
Energy: 0.33511323940453935
Energy: 0.35379220107888315
Energy: 0.3706937746784023
Energy: 0.3848588374579665
Energy: 0.3350512721702194
Energy: 0.3848588374575196
Energy: 0.3496558369776543
Energy: 0.3635713602085328
Energy: 0.3550182443336683
Energy: 0.3635713602076638
Energy: 0.3526462424418548
Energy: 0.34437078678985245
Energy: 0.3627759671257544
Energy: 0.3443707867896289
Energy: 0.3615500917355859
Energy: 0.34424152347109077
Energy: 0.3516123264391432
Energy: 0.3442415234704204

minimum gb energy = 0.3350512721702194 eV
minimum distance =  2.55544842067566 Angstroms
sigma value = 5


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

Energy: 0.52448501885003
Energy: 0.42466992964153805
Energy: 0.4260064565598912
Energy: 0.42466992964153805
Energy: 0.4127672600602298
Energy: 0.3438992150742237
Energy: 0.43305643664455606
Energy: 0.34389921507179977
Energy: 0.4285479342388966
Energy: 0.3769482290892819
Energy: 0.42084976822615305
Energy: 0.3769482290880699
Energy: 0.3556284638910958
Energy: 0.3436842841314794
Energy: 0.415228102697578
Energy: 0.3436842841308734
Energy: 0.39676153666872865
Energy: 0.3431504452722286
Energy: 0.4189348959245898
Energy: 0.3431504452710167
Energy: 0.34481431790365946
Energy: 0.36070408692379974
Energy: 0.4185768460348024
Energy: 0.3607040869250117
Energy: 0.3440168683081126
Energy: 0.3440119923618376
Energy: 0.4220316766891993
Energy: 0.3440119923624436
Energy: 0.3610002854463491
Energy: 0.34420676535661976
Energy: 0.47569215900363954
Energy: 0.3442067653572257
Energy: 0.40009542384146635
Energy: 0.3618956859672275
Energy: 0.47599827145543805
Energy: 0.3618956859672275
Energy: 0.42284341559535343
Energy: 0.33573883787193975
Energy: 0.3395375919803262
Energy: 0.33573883787193975
Energy: 0.3937472569050388
Energy: 0.33312533111266573
Energy: 0.3383705424521278
Energy: 0.3331253311120597
Energy: 0.4763869553527429
Energy: 0.3368111163297133
Energy: 0.33512042998701674
Energy: 0.3368111163297133
Energy: 0.47472093251991715
Energy: 0.3326102052360589
Energy: 0.41342343845114266
Energy: 0.3326102052360589
Energy: 0.39164103454974736
Energy: 0.35215310434063535
Energy: 0.4188156737783374
Energy: 0.3521531043412413
Energy: 0.3444497443841386
Energy: 0.34406984168641774
Energy: 0.41898607778785635
Energy: 0.3440698416870237
Energy: 0.36240614498783835
Energy: 0.3440782846758457
Energy: 0.4141753048761
Energy: 0.3440782846752397
Energy: 0.34497678569867646
Energy: 0.34388259228189194
Energy: 0.3538045708762006
Energy: 0.34388259227946805
Energy: 0.4208922247543289
Energy: 0.3442131257363263
Energy: 0.39637738906085446
Energy: 0.3442131257375383
Energy: 0.4224686833998338
Energy: 0.37755841295614595
Energy: 0.43344389267460726
Energy: 0.37755841295614595
Energy: 0.44064816698059334
Energy: 0.34406414333610846
Energy: 0.3537652280476169
Energy: 0.3440641433336845
Energy: 0.4192911702053358
Energy: 0.35109511067584925
Energy: 0.39606213544431373
Energy: 0.3510951106770613
Energy: 0.4179113579662169
Energy: 0.3429845790076981
Energy: 0.3438368895349246
Energy: 0.3429845790064861
Energy: 0.41496871338603175
Energy: 0.3439945818834858
Energy: 0.34512689379173356
Energy: 0.34399458188409177
Energy: 0.4765407195881374
Energy: 0.34394470177123965
Energy: 0.35111919149473336
Energy: 0.3439447017694216
Energy: 0.4790201190032748
Energy: 0.35553735243094514
Energy: 0.39374451931833654
Energy: 0.35553735242973317
Energy: 0.34110319285415863
Energy: 0.3402645036901094
Energy: 0.42293422946393155
Energy: 0.3402645036882914
Energy: 0.3386532280608192
Energy: 0.3335632771106976
Energy: 0.3993581255998015
Energy: 0.33356327711009165
Energy: 0.3419795349376395
Energy: 0.33669966032973425
Energy: 0.4002523271110868
Energy: 0.33669966033094617
Energy: 0.33918618127037703
Energy: 0.33299961823372487
Energy: 0.4745801116104994
Energy: 0.3329996182319069
Energy: 0.41870909529285
Energy: 0.35210424927599954
Energy: 0.3922226647338515
Energy: 0.35210424927296957
Energy: 0.41869476863434674
Energy: 0.3441045262677116
Energy: 0.3460191022221831
Energy: 0.3441045262664996
Energy: 0.4145736353556579
Energy: 0.34396210737049926
Energy: 0.3460692477088213
Energy: 0.3439621073711052
Energy: 0.3551625557912308
Energy: 0.3438504359135564
Energy: 0.34363539878326355
Energy: 0.3438504359135564

minimum gb energy = 0.3326102052360589 eV
minimum distance =  2.51286716660149 Angstroms
sigma value = 1


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

Energy: 0.6414845535593727
Energy: 0.33383242635048704
Energy: 0.419490709820442
Energy: 0.33383242634881133
Energy: 0.40375102376516836
Energy: 0.32992512438221483
Energy: 0.41464861334187947
Energy: 0.32992512437886334
Energy: 0.3983830889879752
Energy: 0.37142645852707407
Energy: 0.4169917000772676
Energy: 0.3714264585295877
Energy: 0.3861994497663986
Energy: 0.3338562419358771
Energy: 0.43317449169901806
Energy: 0.3338562419342013
Energy: 0.37360926247868015
Energy: 0.33358893622453734
Energy: 0.3848354491008536
Energy: 0.3335889362253751
Energy: 0.33397030658759586
Energy: 0.33530866367749607
Energy: 0.3853555774950033
Energy: 0.33530866367917184
Energy: 0.33334614452931755
Energy: 0.33341451090453433
Energy: 0.4341362417827885
Energy: 0.333414510907048
Energy: 0.336915530297046
Energy: 0.3364229392204125
Energy: 0.4444110986936828
Energy: 0.3364229392204125
Energy: 0.34292028479609965
Energy: 0.3517168618343881
Energy: 0.4446379918937267
Energy: 0.35171686183271234
Energy: 0.4490327721165932
Energy: 0.30881641147260147
Energy: 0.35126163984146824
Energy: 0.30881641147176353
Energy: 0.39896850879591156
Energy: 0.311395325523765
Energy: 0.37980420743651694
Energy: 0.3113953255220892
Energy: 0.4558170732097674
Energy: 0.30980418472784954
Energy: 0.347321742779434
Energy: 0.3098041847270116
Energy: 0.4592236560219629
Energy: 0.30808675782854195
Energy: 0.3486023764237822
Energy: 0.30808675782854195
Energy: 0.39818665135822895
Energy: 0.30802490662271137
Energy: 0.424597008382692
Energy: 0.30802490662438714
Energy: 0.38633101305721773
Energy: 0.34844156768571877
Energy: 0.42422673275312844
Energy: 0.34844156768571877
Energy: 0.3890629599936127
Energy: 0.3492549205714645
Energy: 0.43272187256753686
Energy: 0.3492549205731403
Energy: 0.35434035774273676
Energy: 0.3349369517859392
Energy: 0.3843671096842019
Energy: 0.33493695178677707
Energy: 0.33832130559405554
Energy: 0.33397843851037634
Energy: 0.3864856046274733
Energy: 0.3339784385112142
Energy: 0.3379807032226209
Energy: 0.33445270924101533
Energy: 0.4431473195994313
Energy: 0.3344527092426911
Energy: 0.3401542882111022
Energy: 0.3470611930437029
Energy: 0.4444183714118233
Energy: 0.3470611930437029
Energy: 0.44994204439083335
Energy: 0.348472248544032
Energy: 0.42378233146439076
Energy: 0.3484722485415185
Energy: 0.44994929111020027
Energy: 0.330315771330635
Energy: 0.33005942660108667
Energy: 0.330315771330635
Energy: 0.4045917915414957
Energy: 0.32957198162429274
Energy: 0.3303734185026427
Energy: 0.32957198162177914
Energy: 0.44240863809121056
Energy: 0.3292924307573266
Energy: 0.3299024684700669
Energy: 0.3292924307573266

minimum gb energy = 0.30802490662271137 eV
minimum distance =  2.50702435065152 Angstroms
sigma value = 17


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

Energy: 0.6279591118364356
Energy: 0.4180821281631036
Energy: 0.419872605013788
Energy: 0.41808212816154994
Energy: 0.3847572321977364
Energy: 0.32658832820645256
Energy: 0.38867785640553304
Energy: 0.32658832820645256
Energy: 0.44717952652892967
Energy: 0.3264856934765714
Energy: 0.39433549977005955
Energy: 0.3264856934791608
Energy: 0.45297996750397396
Energy: 0.3463123255248228
Energy: 0.38574538485836385
Energy: 0.346312325523787
Energy: 0.41813551793979087
Energy: 0.31821989770437636
Energy: 0.4882550016833039
Energy: 0.31821989770437636
Energy: 0.31876965940469376
Energy: 0.3181472185723194
Energy: 0.4267747473968345
Energy: 0.31814721857335515
Energy: 0.31889316862530537
Energy: 0.31804682626697983
Energy: 0.35983222514877755
Energy: 0.31804682626490827
Energy: 0.3241592608032797
Energy: 0.3183664583112987
Energy: 0.4175147873501553
Energy: 0.31836645831388805
Energy: 0.42075106729241374
Energy: 0.3182980220237974
Energy: 0.4158591422284877
Energy: 0.31829802202431523
Energy: 0.3934750478036333
Energy: 0.3475857424816844
Energy: 0.3823152667734643
Energy: 0.3475857424837559
Energy: 0.4192009785474158
Energy: 0.3265914750044135
Energy: 0.33300097336147166
Energy: 0.32659147500078833
Energy: 0.4656505436822944
Energy: 0.32701732504850434
Energy: 0.37430926892806876
Energy: 0.3270173250433256
Energy: 0.48448565589989223
Energy: 0.32670673382960685
Energy: 0.3266155613948647
Energy: 0.32670673382908894
Energy: 0.389041392948049
Energy: 0.32627186134692965
Energy: 0.3276178366450665
Energy: 0.32627186134382236
Energy: 0.44877522849748486
Energy: 0.3267423408302303
Energy: 0.33248277260876113
Energy: 0.3267423408317839
Energy: 0.4249293580570272
Energy: 0.33525767036472065
Energy: 0.3779263618868617
Energy: 0.33525767036575643
Energy: 0.33565422077143786
Energy: 0.32903228854189615
Energy: 0.44343007505260335
Energy: 0.3290322885429319
Energy: 0.3290491913945817
Energy: 0.3266524092812217
Energy: 0.4215350003270066
Energy: 0.32665240928173955
Energy: 0.35181134660773694
Energy: 0.32705723943905557
Energy: 0.413963708782039
Energy: 0.32705723943646614
Energy: 0.3325504153950152
Energy: 0.326501172365312
Energy: 0.43236844371204175
Energy: 0.3265011723601332
Energy: 0.38748790321520693
Energy: 0.32631751416498406
Energy: 0.39732241632307125
Energy: 0.3263175141644662
Energy: 0.39459550540881655
Energy: 0.330313458834205
Energy: 0.44827717545871343
Energy: 0.3303134588393838
Energy: 0.3475379550633678
Energy: 0.3756858265115008
Energy: 0.4498651876145755
Energy: 0.3756858265109829
Energy: 0.4415150603104221
Energy: 0.3183745247748563
Energy: 0.36571741380754746
Energy: 0.31837452477433836
Energy: 0.4233682150852144
Energy: 0.31959045563299554
Energy: 0.31760978359687314
Energy: 0.31959045563092403
Energy: 0.35996282366179033
Energy: 0.318199547635914
Energy: 0.32476084282604134
Energy: 0.3181995476379855
Energy: 0.4264115408170463
Energy: 0.3189421920551472
Energy: 0.32724829731905625
Energy: 0.31894219205415847
Energy: 0.4553147816589482
Energy: 0.31822975986799956
Energy: 0.4225159808479105
Energy: 0.318229759870071
Energy: 0.37951308145185253
Energy: 0.34656162218678865
Energy: 0.39415855798291727
Energy: 0.34656162218678865
Energy: 0.33380091414433477
Energy: 0.32581808495795417
Energy: 0.4170125941025483
Energy: 0.3258180849569184
Energy: 0.37424013643620246
Energy: 0.3251713524462218
Energy: 0.4672693542388999
Energy: 0.32517135244984696
Energy: 0.32663618345616297
Energy: 0.32577008231399557
Energy: 0.42342337482175413
Energy: 0.3257700823145134
Energy: 0.3261985587124376
Energy: 0.32624123354441703
Energy: 0.39012970427366794
Energy: 0.3262412335459706
Energy: 0.33226335808221114
Energy: 0.32703127945922644
Energy: 0.45132637500767986
Energy: 0.327031279457155
Energy: 0.3770947399467619
Energy: 0.3372654833425652
Energy: 0.43235846012907586
Energy: 0.3372654833420473
Energy: 0.4368905833520858
Energy: 0.32740963635063003
Energy: 0.32671276427976836
Energy: 0.32740963635373727
Energy: 0.3780269295429394
Energy: 0.3265849905785608
Energy: 0.3283803338838601
Energy: 0.32658499057959656
Energy: 0.4315189827604966
Energy: 0.3271519743430774
Energy: 0.32750416392366327
Energy: 0.3271519743451489

minimum gb energy = 0.31760978359687314 eV
minimum distance =  2.51431800616982 Angstroms
sigma value = 89


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

Energy: 0.6793813568104344
Energy: 0.2924437642464315
Energy: 0.2929320099075436
Energy: 0.29244376424507645
Energy: 0.2942081029612905
Energy: 0.3258951977478782
Energy: 0.29355505609616844
Energy: 0.3258951977478782
Energy: 0.2884056972124251
Energy: 0.3254031967309546
Energy: 0.30654621244116603
Energy: 0.32540319673230966
Energy: 0.2906371948477904
Energy: 0.3257386467382253
Energy: 0.2929436181584502
Energy: 0.32573864673687025
Energy: 0.2924770044884529
Energy: 0.29216108112064326
Energy: 0.30403621615294085
Energy: 0.2921610811192883
Energy: 0.2928250327371317
Energy: 0.29267042050715303
Energy: 0.3033994124551639
Energy: 0.292670420505798
Energy: 0.2938478188622717
Energy: 0.2918817101362237
Energy: 0.29307702278924813
Energy: 0.2918817101362237
Energy: 0.2927355016501425
Energy: 0.29284538545208855
Energy: 0.2928967502448508
Energy: 0.2928453854534435
Energy: 0.29362255045158975
Energy: 0.29221676913284567
Energy: 0.2891838226794447
Energy: 0.29221676913284567
Energy: 0.30666587494649494
Energy: 0.3273107419664776
Energy: 0.3075255132484006
Energy: 0.3273107419651226
Energy: 0.29341141150652
Energy: 0.3245714200678175
Energy: 0.28858242461184
Energy: 0.3245714200678175
Energy: 0.3035000851510302
Energy: 0.2935294678885064
Energy: 0.293438518491673
Energy: 0.2935294678885064
Energy: 0.33112146861669295
Energy: 0.29255925262893917
Energy: 0.2931409879747185
Energy: 0.29255925263029425
Energy: 0.29280008501405885
Energy: 0.2926834244001517
Energy: 0.2924391928338337
Energy: 0.2926834244001517
Energy: 0.28912729979065716
Energy: 0.2927918527483513
Energy: 0.29472103907538677
Energy: 0.2927918527483513

minimum gb energy = 0.2884056972124251 eV
minimum distance =  2.55827682708337 Angstroms
sigma value = 13


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

Energy: 0.5907886945978155
Energy: 0.2915007984715173
Energy: 0.3943097829252576
Energy: 0.2915007984522588
Energy: 0.4124036775789015
Energy: 0.28815599299793143
Energy: 0.364838266145468
Energy: 0.2881559929973635
Energy: 0.3095597864321308
Energy: 0.28822346175985475
Energy: 0.3560319719449021
Energy: 0.2882234617592868
Energy: 0.41666001140721787
Energy: 0.28863568601625256
Energy: 0.4003289081925238
Energy: 0.28863568601341283
Energy: 0.40166621936619995
Energy: 0.28847339952348966
Energy: 0.36183232659775216
Energy: 0.2884733995268974
Energy: 0.35729114031338277
Energy: 0.288122773097028
Energy: 0.36214520190085314
Energy: 0.2881227730953242
Energy: 0.35621062153810634
Energy: 0.288059312039553
Energy: 0.412802400930889
Energy: 0.28805931203273766
Energy: 0.3478037144223215
Energy: 0.28922582060219093
Energy: 0.3590883828878923
Energy: 0.2892258206135498
Energy: 0.29588055222570764
Energy: 0.28942125146328324
Energy: 0.35775939520179545
Energy: 0.2894212514627154
Energy: 0.2934538957446179
Energy: 0.28816007108086206
Energy: 0.3589418081604265
Energy: 0.28816007107972613
Energy: 0.29989111362929
Energy: 0.2896201614850787
Energy: 0.5914265986704709
Energy: 0.28962016148053515
Energy: 0.3520942284244094
Energy: 0.28847119889339096
Energy: 0.35868749780103654
Energy: 0.28847119888543976
Energy: 0.3612696831201217
Energy: 0.3048615686195203
Energy: 0.3639075891962355
Energy: 0.30486156862463176
Energy: 0.40011421642987954
Energy: 0.30618396138043097
Energy: 0.41707056758023453
Energy: 0.30618396137304765
Energy: 0.3593130226195081
Energy: 0.28861062851279495
Energy: 0.4001932551759474
Energy: 0.28861062851449876
Energy: 0.3585010463683322
Energy: 0.2884887380900602
Energy: 0.2923536952792297
Energy: 0.28848873809744346
Energy: 0.399373582169726
Energy: 0.28874286823628126
Energy: 0.2911220200914845
Energy: 0.2887428682323057
Energy: 0.3077460995264757
Energy: 0.2888704086153075
Energy: 0.2924595204285587
Energy: 0.28887040861246777
Energy: 0.3927409028605725
Energy: 0.2888786489840786
Energy: 0.3428352395451863
Energy: 0.2888786489840786
Energy: 0.3589208514453188
Energy: 0.2878676417217944
Energy: 0.36104806059069966
Energy: 0.2878676417223624
Energy: 0.4292673725286706
Energy: 0.2897691907806719
Energy: 0.3540809342424798
Energy: 0.289769190779536
Energy: 0.359112364879137
Energy: 0.31168163802087995
Energy: 0.362056146866593
Energy: 0.3116816380265594
Energy: 0.35744362442765165
Energy: 0.2883165969003201
Energy: 0.36152984286009004
Energy: 0.28831659689407274
Energy: 0.2920073599616761
Energy: 0.2880920686528034
Energy: 0.4002229692164816
Energy: 0.288092068656211
Energy: 0.3449670102590458
Energy: 0.2888358072925898
Energy: 0.3583807555493911
Energy: 0.2888358072846386
Energy: 0.28951726825346175
Energy: 0.288069568682774
Energy: 0.3576865931122986
Energy: 0.2880695686742548
Energy: 0.28845097211697796
Energy: 0.28850632153607114
Energy: 0.4021187370254956
Energy: 0.2885063215292558
Energy: 0.288224387486446
Energy: 0.28940633830911106
Energy: 0.3074500978413809
Energy: 0.28940633830967905
Energy: 0.352637306604922
Energy: 0.289145946253516
Energy: 0.39339367765527267
Energy: 0.28914594625743995
Energy: 0.36115759239219075
Energy: 0.3060962425173065
Energy: 0.4123450973183609
Energy: 0.3060962425144668
Energy: 0.39980330275980264
Energy: 0.307802470998867
Energy: 0.4304546886541037
Energy: 0.3078024710011388
Energy: 0.35811564534021867
Energy: 0.28845326236466134
Energy: 0.4000178453761753
Energy: 0.28845326235784596
Energy: 0.3591465045371274
Energy: 0.28925783012106937
Energy: 0.29424976715311135
Energy: 0.2892578301227732
Energy: 0.40022867113592986
Energy: 0.28856213419960197
Energy: 0.288967121379788
Energy: 0.2885621341967622
Energy: 0.39289375616579375
Energy: 0.2888207582459965
Energy: 0.2916958728550833
Energy: 0.2888207582459965

minimum gb energy = 0.2878676417217944 eV
minimum distance =  2.54910767801296 Angstroms
sigma value = 37


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

Energy: 0.5749704758767012
Energy: 0.2738628122336739
Energy: 0.2737852848726233
Energy: 0.2738628122366053
Energy: 0.45908263397687066
Energy: 0.2733805478614949
Energy: 0.3763543351605959
Energy: 0.273380547862472
Energy: 0.41590680263933827
Energy: 0.27422389636471894
Energy: 0.3718485119543082
Energy: 0.2742238963676503
Energy: 0.4165567907727318
Energy: 0.30539271566650644
Energy: 0.3620902191276861
Energy: 0.30539271566650644
Energy: 0.4577429211617969
Energy: 0.26730209827675594
Energy: 0.4133062780085573
Energy: 0.26730209827675594
Energy: 0.3771286840969918
Energy: 0.26717788422888455
Energy: 0.26689626059115246
Energy: 0.26717788422595307
Energy: 0.321150238305089
Energy: 0.26713537815256777
Energy: 0.4513422606368896
Energy: 0.2671353781506135
Energy: 0.3213533944096592
Energy: 0.2614589568989609
Energy: 0.42553643226291527
Energy: 0.26145895689993803
Energy: 0.3114699134743757
Energy: 0.2645729899940552
Energy: 0.4249416508683153
Energy: 0.2645729899930781
Energy: 0.3110297520217017
Energy: 0.2611290631611053
Energy: 0.4214262725438309
Energy: 0.2611290631620824
Energy: 0.33034098788481653
Energy: 0.33049843943245494
Energy: 0.5023448681437517
Energy: 0.33049843943343205
Energy: 0.4056305582383854
Energy: 0.2608581966332529
Energy: 0.42155740788260426
Energy: 0.2608581966322757
Energy: 0.40430595261671404
Energy: 0.26176013081832716
Energy: 0.4156504864575147
Energy: 0.26176013081832716
Energy: 0.40632610816696785
Energy: 0.29158214716132996
Energy: 0.4157995604889625
Energy: 0.2915821471593757
Energy: 0.41330627800758013
Energy: 0.3008760489128834
Energy: 0.4514579021569851
Energy: 0.3008760489109292
Energy: 0.36020342107273634
Energy: 0.29901968488467384
Energy: 0.32137861102193216
Energy: 0.29901968488271957
Energy: 0.45819916204127886
Energy: 0.29155549786857266
Energy: 0.32139020055149115
Energy: 0.2915554978666184
Energy: 0.4255364322717094
Energy: 0.2742728909383298
Energy: 0.26698380388519566
Energy: 0.2742728909393069
Energy: 0.4249416508683153
Energy: 0.2747134250358904
Energy: 0.2739096400400857
Energy: 0.2747134250378447
Energy: 0.4148816430873014
Energy: 0.2737261213463894
Energy: 0.28154877647445486
Energy: 0.2737261213473665

minimum gb energy = 0.2608581966322757 eV
minimum distance =  2.54592922792723 Angstroms
sigma value = 25


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

Energy: 0.6259434774248295
Energy: 0.2459584683557109
Energy: 0.24451189425258193
Energy: 0.24595846835876295
Energy: 0.4705349547336768
Energy: 0.24440812446092008
Energy: 0.3248931502530518
Energy: 0.24440812446168314
Energy: 0.5384905089896433
Energy: 0.2439622654792787
Energy: 0.3243869750905955
Energy: 0.2439622654792787
Energy: 0.4193375711567152
Energy: 0.24373500242635104
Energy: 0.41021287015323216
Energy: 0.24373500242787705
Energy: 0.4101042253004449
Energy: 0.27002630838147373
Energy: 0.47035356773694115
Energy: 0.2700263083807107
Energy: 0.3992708762597775
Energy: 0.26934027685485135
Energy: 0.4700177964246096
Energy: 0.26934027685561435
Energy: 0.40081424238293256
Energy: 0.27062296821797704
Energy: 0.40969886946126727
Energy: 0.2706229682172141
Energy: 0.3221297749172889
Energy: 0.24579220142737102
Energy: 0.46807549521013175
Energy: 0.24579220142584499
Energy: 0.3236819146981729
Energy: 0.2437787448709127
Energy: 0.4698634800003745
Energy: 0.24377874487018436
Energy: 0.3250190909066104
Energy: 0.24481675298579875
Energy: 0.4707366475382032
Energy: 0.24481675298656175
Energy: 0.24395608122292217
Energy: 0.24566327504874408
Energy: 0.5224257052494437
Energy: 0.24566327504798105
Energy: 0.2469109713892293
Energy: 0.24426222256624294
Energy: 0.47057076860289254
Energy: 0.24426222256700597
Energy: 0.24578913610476
Energy: 0.24472355269308044
Energy: 0.4020264574415352
Energy: 0.24472355269384344
Energy: 0.32290879176512993
Energy: 0.245108523968974
Energy: 0.5336679890619827
Energy: 0.24510852396970234
Energy: 0.3239122333344618
Energy: 0.243491803194844
Energy: 0.47170602461529276
Energy: 0.243491803193318
Energy: 0.32516917186903177
Energy: 0.24405806305334082
Energy: 0.5363164635063828
Energy: 0.24405806305406916
Energy: 0.4120307482216899
Energy: 0.24521950290186648
Energy: 0.5363686441308557
Energy: 0.2452195029003405
Energy: 0.3317336774510744
Energy: 0.2700099721772196
Energy: 0.4113665746068714
Energy: 0.2700099721772196
Energy: 0.4694664560729813
Energy: 0.2694923183950959
Energy: 0.4001971978641505
Energy: 0.2694923183958589
Energy: 0.4703435616855133
Energy: 0.26921450825428694
Energy: 0.39938768290322335
Energy: 0.26921450825352394
Energy: 0.5234983551650754
Energy: 0.24465946601977687
Energy: 0.3244299648524912
Energy: 0.2446594660212682
Energy: 0.47062528264857806
Energy: 0.24393997759024427
Energy: 0.24405530286293256
Energy: 0.24393997759177027
Energy: 0.4679082804822546
Energy: 0.24453671657741005
Energy: 0.3219679039172633
Energy: 0.24453671657664705
Energy: 0.46696795468362107
Energy: 0.24501198161732723
Energy: 0.24539229958518077
Energy: 0.24501198161809024
Energy: 0.4715598831660194
Energy: 0.24390427437985368
Energy: 0.2442551862154543
Energy: 0.24390427437985368
Energy: 0.5341373772090954
Energy: 0.24456574037257375
Energy: 0.24723842141068267
Energy: 0.2445657403733368

minimum gb energy = 0.243491803193318 eV
minimum distance =  2.56308536281336 Angstroms
sigma value = 41


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

Energy: 0.7055649976796566
Energy: 0.23150166112789977
Energy: 0.23121532186402416
Energy: 0.23150166106975278
Energy: 0.5371695523662366
Energy: 0.22934147122771345
Energy: 0.2975881588511785
Energy: 0.22934147122583684
Energy: 0.5975498189060497
Energy: 0.22890864571123515
Energy: 0.2975458779955206
Energy: 0.22890864571311176
Energy: 0.47666622821976645
Energy: 0.22934294522122708
Energy: 0.36874975078632594
Energy: 0.22934294522060153
Energy: 0.4841886050422738
Energy: 0.27968066833884947
Energy: 0.42353142943577954
Energy: 0.27968066833884947
Energy: 0.4792225777857487
Energy: 0.31634494412943853
Energy: 0.4208090969251676
Energy: 0.31634494412881303
Energy: 0.4824118869360369
Energy: 0.3178565702146426
Energy: 0.48593677341445757
Energy: 0.3178565702133915
Energy: 0.4196190506699697
Energy: 0.2783945440143843
Energy: 0.4294745454134489
Energy: 0.2783945440137588
Energy: 0.3611015923310725
Energy: 0.31562046117542514
Energy: 0.538257673017324
Energy: 0.31562046117605064
Energy: 0.36043384448468996
Energy: 0.27910239951804405
Energy: 0.5369020467275348
Energy: 0.27910239951929505
Energy: 0.2963869709182405
Energy: 0.23026503239734367
Energy: 0.6170924469749359
Energy: 0.23026503239609258
Energy: 0.2972198774723958
Energy: 0.2311015410537319
Energy: 0.5368530985624518
Energy: 0.23110154105435746
Energy: 0.2957996917678402
Energy: 0.229207732280779
Energy: 0.5358743864087493
Energy: 0.229207732280779
Energy: 0.2292714647441779
Energy: 0.22994872608088401
Energy: 0.5345607516321482
Energy: 0.2299487260821351
Energy: 0.23026581386885403
Energy: 0.22902761353351145
Energy: 0.485015114413024
Energy: 0.22902761353226037
Energy: 0.23277435821688147
Energy: 0.22978430999442848
Energy: 0.47672005677476237
Energy: 0.22978430999442848
Energy: 0.29416112949113915
Energy: 0.22995200833481408
Energy: 0.4779809714564863
Energy: 0.2299520083341885
Energy: 0.3005181373836946
Energy: 0.22930015920211094
Energy: 0.48341448805082726
Energy: 0.2293001592027365
Energy: 0.3007357348754069
Energy: 0.22915561387534614
Energy: 0.4802208252338145
Energy: 0.22915561387534614
Energy: 0.4222475605575436
Energy: 0.22961472616851006
Energy: 0.47922971935722913
Energy: 0.22961472616913559
Energy: 0.44974048482498274
Energy: 0.2810848493618095
Energy: 0.4851016329637659
Energy: 0.2810848493618095
Energy: 0.42234448905806654
Energy: 0.2804585632211637
Energy: 0.4781717522721639
Energy: 0.2804585632211637
Energy: 0.5388819651184164
Energy: 0.316637919415775
Energy: 0.478049313486839
Energy: 0.3166379194120218
Energy: 0.4237836305210527
Energy: 0.28049194587403004
Energy: 0.42187576115394476
Energy: 0.28049194587465565
Energy: 0.5376279280349835
Energy: 0.2815091599080605
Energy: 0.369346546465364
Energy: 0.28150915990993713
Energy: 0.5380101241219264
Energy: 0.22916487418492737
Energy: 0.421965945962133
Energy: 0.2291648741855529
Energy: 0.5358713201054655
Energy: 0.22911678631529947
Energy: 0.30173654808235695
Energy: 0.2291167863140484
Energy: 0.48348046778328574
Energy: 0.22958418341266043
Energy: 0.3011886309122579
Energy: 0.22958418341203488
Energy: 0.5350571293164746
Energy: 0.2297192228573125
Energy: 0.29977745128924166
Energy: 0.22971922285793805
Energy: 0.5381871569142536
Energy: 0.22967731007156525
Energy: 0.23365157680006765
Energy: 0.2296773100721908
Energy: 0.4834817079436147
Energy: 0.22918218213414043
Energy: 0.22993047810756673
Energy: 0.22918218213414043
Energy: 0.47965512143600714
Energy: 0.23024698408027128
Energy: 0.22986469644068533
Energy: 0.23024698408214792

minimum gb energy = 0.22890864571123515 eV
minimum distance =  2.5732705283048 Angstroms
sigma value = 15


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

Energy: 0.6445760975720352
Energy: 0.22341931953818325
Energy: 0.3429079271358904
Energy: 0.22341931953288405
Energy: 0.5864115570002629
Energy: 0.21938756092676778
Energy: 0.27905492021855083
Energy: 0.21938756092676778
Energy: 0.6110917904219134
Energy: 0.22070495801792395
Energy: 0.27898073364272696
Energy: 0.22070495801898382
Energy: 0.5589477332200137
Energy: 0.22018651664970207
Energy: 0.38951961958624903
Energy: 0.2201865166528816
Energy: 0.5413134764901414
Energy: 0.26294676978835824
Energy: 0.3856486334392697
Energy: 0.26294676978676845
Energy: 0.564161380528038
Energy: 0.29983432078116823
Energy: 0.3843426421006267
Energy: 0.29983432077586897
Energy: 0.46230482342218265
Energy: 0.26743960837868047
Energy: 0.4884766948179678
Energy: 0.26743960837236963
Energy: 0.4922724688956076
Energy: 0.3038250721908717
Energy: 0.4133512937110717
Energy: 0.30382507220305993
Energy: 0.4614373419866751
Energy: 0.30039252265993177
Energy: 0.4859994715452009
Energy: 0.30039252266576094
Energy: 0.46001607290398
Energy: 0.2999099454801497
Energy: 0.585164119337477
Energy: 0.2999099454812096
Energy: 0.3881654116517436
Energy: 0.22167560511221293
Energy: 0.5702510805692425
Energy: 0.22167560511963183
Energy: 0.35842206022144407
Energy: 0.22067534327669328
Energy: 0.5848424004928497
Energy: 0.22067534327775312
Energy: 0.38436024194913554
Energy: 0.2205103638585388
Energy: 0.6119384152673729
Energy: 0.22051036386913725
Energy: 0.2749726224676235
Energy: 0.22159017971728312
Energy: 0.516729943786103
Energy: 0.22159017971834297
Energy: 0.27830489002832115
Energy: 0.21952045942922946
Energy: 0.5361822020512355
Energy: 0.21952045943187906
Energy: 0.27494128714101634
Energy: 0.21798092124681256
Energy: 0.6124068471730517
Energy: 0.21798092124363305
Energy: 0.2519934670339066
Energy: 0.21710079127757828
Energy: 0.5397368812012204
Energy: 0.21710079128446724
Energy: 0.24633214692070535
Energy: 0.21810442281226744
Energy: 0.5395426033507944
Energy: 0.2181044228138572
Energy: 0.253446778677171
Energy: 0.2174518331210319
Energy: 0.539639780315418
Energy: 0.21745183311308305
Energy: 0.30833627589079143
Energy: 0.21700276333174165
Energy: 0.534940547038986
Energy: 0.21700276333598104
Energy: 0.30491806381843134
Energy: 0.21859119410142358
Energy: 0.5408280669369555
Energy: 0.21859119410354327
Energy: 0.3070040918680609
Energy: 0.21694128438234778
Energy: 0.5593393337948452
Energy: 0.21694128438446747
Energy: 0.37994263496936154
Energy: 0.21938473548059992
Energy: 0.5614912752098822
Energy: 0.21938473547848023
Energy: 0.3846876111012575
Energy: 0.28767062430433143
Energy: 0.5347792034877464
Energy: 0.2876706242985023
Energy: 0.3842549573616458
Energy: 0.26655032332259704
Energy: 0.46690357407795924
Energy: 0.2665503233188875
Energy: 0.48765600230994666
Energy: 0.2872040814427924
Energy: 0.5349156831191256
Energy: 0.28720408144438214
Energy: 0.4095912675217347
Energy: 0.3003286556002253
Energy: 0.4853914036109354
Energy: 0.30032865559386623
Energy: 0.48995692026603077
Energy: 0.2671793777312592
Energy: 0.46775302116331796
Energy: 0.2671793777301994
Energy: 0.5150893390665282
Energy: 0.30359052550898186
Energy: 0.4667861047286691
Energy: 0.3035905255153409
Energy: 0.512468022300062
Energy: 0.3004273870785193
Energy: 0.38436070590696825
Energy: 0.3004273870779894
Energy: 0.5410247365104128
Energy: 0.2200772555418207
Energy: 0.3585346117291456
Energy: 0.2200772555391711
Energy: 0.5166661606753774
Energy: 0.22086966195187177
Energy: 0.37919311394147365
Energy: 0.22086966194657254
Energy: 0.612497863713883
Energy: 0.22158889519161357
Energy: 0.2795699268187294
Energy: 0.22158889519373323
Energy: 0.5859034494878461
Energy: 0.21963397912733806
Energy: 0.2784431774633387
Energy: 0.21963397912468843
Energy: 0.5393987224376408
Energy: 0.2212780438631351
Energy: 0.23638835574674757
Energy: 0.2212780438652548
Energy: 0.5602023292827547
Energy: 0.21906308287804538
Energy: 0.2234071504674679
Energy: 0.21906308288016507
Energy: 0.6099887222898384
Energy: 0.21899579627774693
Energy: 0.22396723935022017
Energy: 0.2189957962851658

minimum gb energy = 0.21694128438234778 eV
minimum distance =  2.57204324988798 Angstroms
sigma value = 85


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

Energy: 0.6844928512533255
Energy: 0.19666384615897162
Energy: 0.19658584527084755
Energy: 0.19666384616218882
Energy: 0.6085019806798444
Energy: 0.1969671108351485
Energy: 0.24936310758285668
Energy: 0.1969671108351485
Energy: 0.5655955822617472
Energy: 0.19731582812674814
Energy: 0.24970429658948437
Energy: 0.19731582812353093
Energy: 0.49588729794315095
Energy: 0.19691785828234123
Energy: 0.3407835267410965
Energy: 0.19691785828417963
Energy: 0.5686744228364681
Energy: 0.197287075120264
Energy: 0.34242778386230877
Energy: 0.1972870751211832
Energy: 0.498106776974997
Energy: 0.1968947799699619
Energy: 0.3422917424022345
Energy: 0.19689477997501753
Energy: 0.49637355102815583
Energy: 0.1967091866798515
Energy: 0.43172762122024483
Energy: 0.19670918664354292
Energy: 0.5217326903256351
Energy: 0.1966318444800413
Energy: 0.3662702137067519
Energy: 0.19663184442447124
Energy: 0.4976649516232687
Energy: 0.2756058583323611
Energy: 0.431811820541228
Energy: 0.2756058583300632
Energy: 0.4982117632860905
Energy: 0.27520100238424294
Energy: 0.520904399895231
Energy: 0.27520100238424294
Energy: 0.4317814363642877
Energy: 0.2738731227053417
Energy: 0.4963582712562683
Energy: 0.27387312270580133
Energy: 0.40775702390410573
Energy: 0.275119003983021
Energy: 0.5209445251454429
Energy: 0.2751190039834806
Energy: 0.4316368857081194
Energy: 0.2740160185251524
Energy: 0.5426774525793777
Energy: 0.27401601852607155
Energy: 0.33986984552577476
Energy: 0.19634731153313223
Energy: 0.45143285734991817
Energy: 0.19634731153359183
Energy: 0.3240811564643277
Energy: 0.1963340069241543
Energy: 0.5488429693197494
Energy: 0.1963340069232351
Energy: 0.3414876426475481
Energy: 0.1962858445306117
Energy: 0.5403780025229171
Energy: 0.19628584453153092
Energy: 0.24545601448252827
Energy: 0.19624177078739072
Energy: 0.5403349507752894
Energy: 0.19624177078601193
Energy: 0.24852774212399556
Energy: 0.19662963812790699
Energy: 0.5661433985005478
Energy: 0.19662963812836656
Energy: 0.2433200744508025
Energy: 0.19525754700759482
Energy: 0.5654978954207059
Energy: 0.19525754701081202
Energy: 0.220818923648323
Energy: 0.19523053748017985
Energy: 0.5651502911769806
Energy: 0.19523053748109906
Energy: 0.22099805399834144
Energy: 0.19550498593162582
Energy: 0.5654695981838002
Energy: 0.19550498593024704
Energy: 0.2202565812344386
Energy: 0.19650272929118048
Energy: 0.5615598215145875
Energy: 0.1965027292898017
Energy: 0.27107874597290643
Energy: 0.19543476557803122
Energy: 0.5638228307003034
Energy: 0.1954347655812484
Energy: 0.2742563162219174
Energy: 0.1972136116469495
Energy: 0.5640366023730933
Energy: 0.1972136116437323
Energy: 0.26941873030435776
Energy: 0.19557191462874618
Energy: 0.4958046738301178
Energy: 0.19557191463196338
Energy: 0.34171052540325686
Energy: 0.19697368788332165
Energy: 0.5676874621366583
Energy: 0.19697368788561964
Energy: 0.33987226938736553
Energy: 0.19710803241605904
Energy: 0.5865978384979099
Energy: 0.19710803241238223
Energy: 0.38926815061333486
Energy: 0.1951922446232692
Energy: 0.49655224090077443
Energy: 0.19519224462189042
Energy: 0.4306867168810478
Energy: 0.19620946690483962
Energy: 0.5640181342501961
Energy: 0.19620946691219326
Energy: 0.4322765374357902
Energy: 0.27316819208006443
Energy: 0.4985077165049947
Energy: 0.2731681920814433
Energy: 0.4844401306488089
Energy: 0.19696050262232917
Energy: 0.40667009633176254
Energy: 0.19696050261911194
Energy: 0.4522668352959509
Energy: 0.27430269742807395
Energy: 0.5037902393768567
Energy: 0.2743026974262356
Energy: 0.5217522557693607
Energy: 0.27414993126584414
Energy: 0.4078207554916392
Energy: 0.2741499312667634
Energy: 0.5693830348564721
Energy: 0.2740550796400948
Energy: 0.4087803885397916
Energy: 0.2740550796387161
Energy: 0.4945115943923479
Energy: 0.1971843007881942
Energy: 0.34080917287161866
Energy: 0.19718430078497698
Energy: 0.568110519954412
Energy: 0.19744668908111576
Energy: 0.342056528579512
Energy: 0.1974466890806562
Energy: 0.5672168993129808
Energy: 0.1969189192845232
Energy: 0.34211285080603415
Energy: 0.19691891928222516
Energy: 0.5402980385537192
Energy: 0.19680453526600641
Energy: 0.24658035624277233
Energy: 0.19680453526416802
Energy: 0.5687114574885551
Energy: 0.1966946318604967
Energy: 0.24822513511078087
Energy: 0.19669463186187555
Energy: 0.5653589964597913
Energy: 0.1970374986086163
Energy: 0.24640537631741913
Energy: 0.19703749860542
Energy: 0.5398714751800016
Energy: 0.19745748661632595
Energy: 0.19691690560122146
Energy: 0.19745748661678555
Energy: 0.5682958747079917
Energy: 0.19682756492399398
Energy: 0.1968326437979401
Energy: 0.19682756492491318
Energy: 0.5654141539030201
Energy: 0.19747410028242357
Energy: 0.19692691450224775
Energy: 0.19747410028242357

minimum gb energy = 0.19519224462189042 eV
minimum distance =  2.57341790630539 Angstroms
sigma value = 113


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

Energy: 0.012446087100396668
Energy: 0.18340171748505432
Energy: 0.5129613179828122
Energy: 0.18340171748436732
Energy: 0.38313280607042294
Energy: 0.05632989609467753
Energy: 0.38446161750573454
Energy: 0.05632989609467753
Energy: 0.012846374571055044
Energy: 0.05647865319041909
Energy: 0.3825552222624881
Energy: 0.05647865319075278
Energy: 0.013818805153657009
Energy: 0.05590750614826494
Energy: 0.38203818611687446
Energy: 0.05590750614826494
Energy: 0.38234769302644395
Energy: 0.056917810762765544
Energy: 0.38277382288025674
Energy: 0.05691781076243186
Energy: 0.012686756091828096
Energy: 0.0560744127750143
Energy: 0.38250867334703204
Energy: 0.056074412775367614

minimum gb energy = 0.012446087100396668 eV
minimum distance =  2.8256515421823 Angstroms
sigma value = 1