Model name: model_name=EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0687795132398605
cohesive_energy=3.92492861332292
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.12213247092092e-19, 1.8597745932145197e-19, 2.3821803064965597e-19, 2.85562350184356e-19, 3.3062517019224e-19, 3.6983844330938997e-19, 4.0327907401423796e-19, 4.3302668757771594e-19, 4.59791048248686e-19, 4.840271741912039e-19, 5.064816797167139e-19, 5.2677164460969e-19, 5.444052006434939e-19, 5.60439784396566e-19, 5.74659102023316e-19, 5.86707470310996e-19, 5.96735493863202e-19, 6.051084689524859e-19, 6.12108378666432e-19, 6.179835603833099e-19, 6.227308097498519e-19, 6.26104993741056e-19, 6.28123736299896e-19, 6.28793446132908e-19, 6.2809169276721595e-19, 6.2585024765625e-19, 6.2178872988906e-19, 6.153656037633539e-19, 6.05784587492034e-19, 5.922606145244399e-19, 5.73946133421186e-19, 5.502611562407639e-19, 5.20407799019442e-19, 4.832260858742039e-19, 4.36557884879052e-19, 3.7654034816941197e-19, 2.98807544417634e-19, 1.99105694660448e-19, 7.351090810352459e-20, -8.49637473363468e-20, -2.8274091713188196e-19, -5.28062998976694e-19, -8.4528435944889e-19, -1.270868936561676e-18, -1.85649013111482e-18, -2.6715494283632994e-18, -3.803567329115999e-18, -5.375238520004639e-18, -7.65379004181408e-18, -1.1115228572505719e-17, -1.65498437585664e-17, -2.4993154402083e-17, -3.914918605179e-17, -6.43240272841686e-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: -1.68098410881603e-21 eV

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

Energy: 0.011949964344214966
Energy: 0.07042117337557784
Energy: 0.418632925983619
Energy: 0.07042117337896112
Energy: 0.07042117337992383
Energy: 0.4435378066953818
Energy: 0.07042117338091407
Energy: 0.4435378066982974
Energy: 0.41863292610362923
Energy: 0.07042117337461512
Energy: 0.01194996434471008
Energy: 0.0704211733736524
Energy: 0.07042117337750328
Energy: 0.4435378067055591
Energy: 0.07042117338041895
Energy: 0.44353780670459636

minimum gb energy = 0.011949964344214966 eV
minimum distance =  2.7678295881896 Angstroms
sigma value = 1


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

Energy: 0.8267537323014402
Energy: 0.6073784119985344
Energy: 0.6068257431244459
Energy: 0.6073784119973334
Energy: 0.5660562422397936
Energy: 0.6118937984810048
Energy: 0.5665163951228765
Energy: 0.6118937984810048
Energy: 0.6083461200036566
Energy: 0.6060974475822888
Energy: 0.5686304222089061
Energy: 0.6060974475822888
Energy: 0.5676444162480304
Energy: 0.5673029088744764
Energy: 0.5664245042520203
Energy: 0.5673029088750768
Energy: 0.5920280115408705
Energy: 0.5651927016080059
Energy: 0.5665251233657077
Energy: 0.5651927016092069
Energy: 0.5926355378087859
Energy: 0.5814920231229527
Energy: 0.5659736218929031
Energy: 0.5814920231229527
Energy: 0.5908209345166828
Energy: 0.5815975315199432
Energy: 0.5916488491670446
Energy: 0.5815975315193427
Energy: 0.5949156088736506
Energy: 0.5888492764247243
Energy: 0.6080303609151004
Energy: 0.5888492764241239
Energy: 0.6069749794453807
Energy: 0.5822980322808168
Energy: 0.6071289223433812
Energy: 0.5822980322814173
Energy: 0.6136365781422914
Energy: 0.5839481808386718
Energy: 0.6092060004948391
Energy: 0.5839481808380714
Energy: 0.6059856344332812
Energy: 0.5825174125344438
Energy: 0.6062559677199196
Energy: 0.5825174125344438
Energy: 0.5934846138622974
Energy: 0.5815897698843173
Energy: 0.616248187816549
Energy: 0.5815897698837168
Energy: 0.5943465262654851
Energy: 0.5813062018509182
Energy: 0.573814176268251
Energy: 0.5813062018491169
Energy: 0.5931335344534877
Energy: 0.5814450190083595
Energy: 0.5723275504575847
Energy: 0.5814450190083595
Energy: 0.5722641418141292
Energy: 0.5647809178670057
Energy: 0.5658549358008361
Energy: 0.5647809178670057
Energy: 0.5589460920505452
Energy: 0.5671544969533918
Energy: 0.5658393316675805
Energy: 0.5671544969527913
Energy: 0.6058511279392708
Energy: 0.606247005649789
Energy: 0.5600756494486936
Energy: 0.6062470056503894
Energy: 0.5668162063157604
Energy: 0.566886622278421
Energy: 0.5737537019952929
Energy: 0.5668866222778206
Energy: 0.5671300380080224
Energy: 0.6064199599049032
Energy: 0.6088025316380481
Energy: 0.6064199599049032
Energy: 0.5916360467394988
Energy: 0.5673136222455333
Energy: 0.567233176826423
Energy: 0.5673136222455333
Energy: 0.5674916203211868
Energy: 0.5674263137755596
Energy: 0.5905680372034522
Energy: 0.5674263137749592
Energy: 0.5662363022542711
Energy: 0.5652713147807482
Energy: 0.5927982368510831
Energy: 0.5652713147813486
Energy: 0.5936895859114054
Energy: 0.5944361335284474
Energy: 0.5897486767805167
Energy: 0.5944361335284474
Energy: 0.6085514114129101
Energy: 0.5857599983993993
Energy: 0.5928974264925645
Energy: 0.5857599983987989
Energy: 0.6071939552552199
Energy: 0.5823121799406374
Energy: 0.6113156060986783
Energy: 0.5823121799400369
Energy: 0.6076627009717482
Energy: 0.581890391888018
Energy: 0.6151515381781965
Energy: 0.5818903918886185
Energy: 0.6070101429285272
Energy: 0.5828615582325472
Energy: 0.6043227473620294
Energy: 0.5828615582325472
Energy: 0.608198298424134
Energy: 0.5816613107426736
Energy: 0.5930661156722244
Energy: 0.5816613107426736
Energy: 0.5715826942871319
Energy: 0.5831791300351244
Energy: 0.5950252590715208
Energy: 0.5831791300357249
Energy: 0.5727062107020059
Energy: 0.5934402536553144
Energy: 0.5943981337573291
Energy: 0.5934402536559149
Energy: 0.5652751521245559
Energy: 0.5652249336868533
Energy: 0.5726605439605839
Energy: 0.5652249336868533
Energy: 0.5658568366008618
Energy: 0.5670858980213734
Energy: 0.5584583192900019
Energy: 0.5670858980213734
Energy: 0.5595101554324826
Energy: 0.5676492016666652
Energy: 0.604913209704309
Energy: 0.5676492016666652

minimum gb energy = 0.5584583192900019 eV
minimum distance =  2.5486234366338 Angstroms
sigma value = 1


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

Energy: 0.949157515577365
Energy: 0.6338136138010511
Energy: 0.6346955661541139
Energy: 0.6338136138024204
Energy: 0.5896415805501163
Energy: 0.6360529294487335
Energy: 0.5889501584628722
Energy: 0.6360529294480489
Energy: 0.6345755681660764
Energy: 0.6326410138953475
Energy: 0.5924112692186626
Energy: 0.6326410138940093
Energy: 0.5900543633651955
Energy: 0.5925186425141947
Energy: 0.5892721299495948
Energy: 0.5925186425155641
Energy: 0.5891308592704813
Energy: 0.5896828630398218
Energy: 0.5890872668559778
Energy: 0.5896828630363986
Energy: 0.6188242946099847
Energy: 0.623683185871806
Energy: 0.5888969494254944
Energy: 0.62368318587386
Energy: 0.6207208754002351
Energy: 0.6250833793228496
Energy: 0.6177640140028756
Energy: 0.6250833793214803
Energy: 0.6197427583766323
Energy: 0.6127549271989987
Energy: 0.6393086662630509
Energy: 0.6127549271955754
Energy: 0.6187393934272308
Energy: 0.6104807086540587
Energy: 0.627913050830204
Energy: 0.6104807086540587
Energy: 0.6384584811123897
Energy: 0.6110891905013491
Energy: 0.6229043245801656
Energy: 0.6110891905047723
Energy: 0.5980745678155045
Energy: 0.6235648730489355
Energy: 0.6188870803905535
Energy: 0.6235648730489355
Energy: 0.5988770673765075
Energy: 0.6233352346587169
Energy: 0.6189778522971562
Energy: 0.623335234654609
Energy: 0.58952017309382
Energy: 0.5895400357354734
Energy: 0.6019330068167154
Energy: 0.5895400357361582
Energy: 0.5894070945691577
Energy: 0.591413937355673
Energy: 0.5780895472254516
Energy: 0.5914139373584115
Energy: 0.5791436933832864
Energy: 0.630908643846127
Energy: 0.6320936997726803
Energy: 0.6309086438406498
Energy: 0.5987421127639214
Energy: 0.5909326959646753
Energy: 0.588616574803903
Energy: 0.5909326959639907
Energy: 0.6356289422422133
Energy: 0.6334788687536884
Energy: 0.5900849084566568
Energy: 0.6334788687516346
Energy: 0.5895835466480203
Energy: 0.5914185928313596
Energy: 0.6238340478126327
Energy: 0.5914185928327289
Energy: 0.5888854558289619
Energy: 0.5908692589330394
Energy: 0.5913671905796027
Energy: 0.5908692589296163
Energy: 0.6180990413846164
Energy: 0.5900385535433771
Energy: 0.5892675660247599
Energy: 0.5900385535385848
Energy: 0.6183437651279958
Energy: 0.6237007790716041
Energy: 0.6183804270661653
Energy: 0.6237007790722888
Energy: 0.6181622388788924
Energy: 0.6148120217373254
Energy: 0.615827016663321
Energy: 0.6148120217332176
Energy: 0.6185189884259904
Energy: 0.6107583101361092
Energy: 0.6281682272674826
Energy: 0.6107583101299474
Energy: 0.6202440047089721
Energy: 0.6107812561224139
Energy: 0.6182070482258603
Energy: 0.6107812561230984
Energy: 0.5999796047536984
Energy: 0.6113719460263456
Energy: 0.619187065903839
Energy: 0.6113719460283994
Energy: 0.5982828787441232
Energy: 0.6243347663246039
Energy: 0.6196633837252066
Energy: 0.6243347663218655
Energy: 0.5892787999657585
Energy: 0.5891732337058956
Energy: 0.6014566048913632
Energy: 0.5891732337079495
Energy: 0.5892942506799731
Energy: 0.5896738322519646
Energy: 0.5781782773489378
Energy: 0.5896738322533338
Energy: 0.5792219626494393
Energy: 0.5908374442015901
Energy: 0.6305886813143886
Energy: 0.5908374442015901

minimum gb energy = 0.5780895472254516 eV
minimum distance =  2.53990949519938 Angstroms
sigma value = 25


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

Energy: 0.908152476973584
Energy: 0.663122589720043
Energy: 0.6641227077062009
Energy: 0.663122589720043
Energy: 0.6170099365091222
Energy: 0.6586199403910734
Energy: 0.6153809469567502
Energy: 0.6586199403918692
Energy: 0.6624995456595391
Energy: 0.6605105405280347
Energy: 0.703412470311299
Energy: 0.6605105405280347
Energy: 0.6179841126154288
Energy: 0.6377114622767254
Energy: 0.6156517571990646
Energy: 0.6377114622775213
Energy: 0.615247741953871
Energy: 0.6324248012602911
Energy: 0.6158692770295988
Energy: 0.6324248012602911
Energy: 0.6476048675408764
Energy: 0.6754412314454692
Energy: 0.6161797874833538
Energy: 0.6754412314446734
Energy: 0.6437579275922772
Energy: 0.6549845885833218
Energy: 0.6423379722737176
Energy: 0.6549845885833218
Energy: 0.6445224828173527
Energy: 0.6489827559002845
Energy: 0.6344073741295382
Energy: 0.6489827559018763
Energy: 0.643442574778437
Energy: 0.6541110328186915
Energy: 0.6313694295758542
Energy: 0.6541110328170997
Energy: 0.6458910047242418
Energy: 0.6550740904445153
Energy: 0.616381065086093
Energy: 0.6550740904445153
Energy: 0.5966553347521041
Energy: 0.6183546348813321
Energy: 0.6148551399564968
Energy: 0.6183546348805362
Energy: 0.5967132494675023
Energy: 0.6379835914935583
Energy: 0.6154839261505126
Energy: 0.6379835914935583
Energy: 0.6600143282667262
Energy: 0.6592294851570483
Energy: 0.5971106371853787
Energy: 0.6592294851570483
Energy: 0.6162285111420869
Energy: 0.6380066061201406
Energy: 0.6320327291164974
Energy: 0.6380066061201406
Energy: 0.6163738882063241
Energy: 0.6631871924436699
Energy: 0.6641121126854899
Energy: 0.6631871924444658
Energy: 0.6169777967467379
Energy: 0.637718302786516
Energy: 0.6169899339838151
Energy: 0.637718302786516
Energy: 0.6185625963913718
Energy: 0.6361842279925537
Energy: 0.61519896941031
Energy: 0.6361842279925537
Energy: 0.6159175851872277
Energy: 0.6174105786761556
Energy: 0.6166581994776694
Energy: 0.6174105786761556
Energy: 0.6421894574433754
Energy: 0.6562591469166335
Energy: 0.6483492598530807
Energy: 0.6562591469174294
Energy: 0.6163858378523148
Energy: 0.6492235381783362
Energy: 0.646448851213617
Energy: 0.6492235381783362
Energy: 0.6322513863341123
Energy: 0.6538981853993225
Energy: 0.6447024014018754
Energy: 0.6538981853993225
Energy: 0.6315032427662259
Energy: 0.6534877035540153
Energy: 0.6438236522602917
Energy: 0.6534877035540153
Energy: 0.6153568426966871
Energy: 0.6170116316899243
Energy: 0.5972416816876001
Energy: 0.6170116316907202
Energy: 0.6156530214384933
Energy: 0.6168668658750203
Energy: 0.596286668878732
Energy: 0.6168668658750203
Energy: 0.5975026681285921
Energy: 0.6184378778682017
Energy: 0.6587431309386538
Energy: 0.6184378778689976

minimum gb energy = 0.596286668878732 eV
minimum distance =  2.53456362375528 Angstroms
sigma value = 9


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

Energy: 0.8479657769169143
Energy: 0.6930106092003679
Energy: 0.6946769989680109
Energy: 0.6930106092013174
Energy: 0.6499906324893902
Energy: 0.680382121108124
Energy: 0.649814220786029
Energy: 0.680382121108124
Energy: 0.6931700931583792
Energy: 0.6914716553345527
Energy: 0.6958840097592229
Energy: 0.6914716553326538
Energy: 0.6439936400472651
Energy: 0.6555088676388358
Energy: 0.6493180708194853
Energy: 0.6555088676388358
Energy: 0.6457469094433324
Energy: 0.6627338740508582
Energy: 0.6470135158416785
Energy: 0.6627338740508582
Energy: 0.6449844413457398
Energy: 0.655221058905484
Energy: 0.6510851023268528
Energy: 0.6552210589045346
Energy: 0.6731486101918974
Energy: 0.6991029412457301
Energy: 0.6502122035850426
Energy: 0.6991029412457301
Energy: 0.6511175027705476
Energy: 0.6990807059090334
Energy: 0.6503214229194938
Energy: 0.6990807059080838
Energy: 0.6510379551709967
Energy: 0.6544025900992638
Energy: 0.6149962250383694
Energy: 0.6544025900983144
Energy: 0.6492315617356379
Energy: 0.6593520451427852
Energy: 0.6140569492925058
Energy: 0.6593520451427852
Energy: 0.616596833123886
Energy: 0.6892345397979106
Energy: 0.6902902472060529
Energy: 0.6892345397969613
Energy: 0.6705528506371364
Energy: 0.6618376123171071
Energy: 0.650358088350586
Energy: 0.6618376123152081
Energy: 0.6954082243909985
Energy: 0.6942838785520318
Energy: 0.694047809015765
Energy: 0.6942838785510823
Energy: 0.6439160003386916
Energy: 0.6541995279371126
Energy: 0.6420496116286916
Energy: 0.6541995279352137
Energy: 0.6454483349636678
Energy: 0.6676447653951743
Energy: 0.6488312383167067
Energy: 0.6676447653932753
Energy: 0.6435901354106054
Energy: 0.6551186660002778
Energy: 0.6481836481542732
Energy: 0.6551186660002778
Energy: 0.6702853081950043
Energy: 0.7001212754299124
Energy: 0.6497151222013537
Energy: 0.700121275428963
Energy: 0.6689343235449781
Energy: 0.6990216271106813
Energy: 0.6519129746056894
Energy: 0.6990216271116305
Energy: 0.6474659128456798
Energy: 0.6545877655266549
Energy: 0.6143370169986035
Energy: 0.6545877655285538
Energy: 0.6509492995852503
Energy: 0.6543950478552927
Energy: 0.6142585713354106
Energy: 0.6543950478543433
Energy: 0.6144715355823215
Energy: 0.6444528278303499
Energy: 0.6889705314155974
Energy: 0.6444528278312993

minimum gb energy = 0.6140569492925058 eV
minimum distance =  2.55561428601072 Angstroms
sigma value = 25


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

Energy: 0.7122240604187281
Energy: 0.7266588726566995
Energy: 0.7276394903167934
Energy: 0.7266588726578737
Energy: 0.738584339457425
Energy: 0.6817682965288662
Energy: 0.6602581654756484
Energy: 0.6817682965276921
Energy: 0.726614516262548
Energy: 0.7256716488182132
Energy: 0.7247544385777961
Energy: 0.7256716488182132
Energy: 0.6431239559948602
Energy: 0.6824191336502484
Energy: 0.6581072399482959
Energy: 0.6824191336490742
Energy: 0.6535986817530045
Energy: 0.711998056636563
Energy: 0.6590128823214081
Energy: 0.711998056636563
Energy: 0.642535006136141
Energy: 0.7110006695849636
Energy: 0.6553603036648582
Energy: 0.7110006695861376
Energy: 0.640387191687333
Energy: 0.7050890686865622
Energy: 0.6595371262827479
Energy: 0.7050890686865622
Energy: 0.6398422934446604
Energy: 0.7121856459450671
Energy: 0.6591153754224606
Energy: 0.7121856459438928
Energy: 0.7248225543542577
Energy: 0.7261203555831016
Energy: 0.8051839151960851
Energy: 0.7261203555842757
Energy: 0.6587955411562093
Energy: 0.7124670250918573
Energy: 0.6403180210988088
Energy: 0.7124670250906833
Energy: 0.7332279303724226
Energy: 0.729552206651594
Energy: 0.730718755568147
Energy: 0.72955220665042
Energy: 0.7244707828844454
Energy: 0.6840711067805285
Energy: 0.7281163348772413
Energy: 0.6840711067817026
Energy: 0.656154430359583
Energy: 0.7107346752047574
Energy: 0.7030487105853813
Energy: 0.7107346752047574
Energy: 0.6582952549192298
Energy: 0.7052576255395633
Energy: 0.6441210677838287
Energy: 0.7052576255383891
Energy: 0.659285288340262
Energy: 0.704691083861632
Energy: 0.6401530693556715
Energy: 0.704691083861632
Energy: 0.6564206061689339
Energy: 0.7107324005629791
Energy: 0.6398928668884809
Energy: 0.7107324005629791
Energy: 0.8029023031271374
Energy: 0.6440402824466409
Energy: 0.7249974559881673
Energy: 0.644040282447815

minimum gb energy = 0.6398422934446604 eV
minimum distance =  2.6207269066284 Angstroms
sigma value = 17


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

Energy: 1.059890522569329
Energy: 0.7866586715029467
Energy: 0.787038721295184
Energy: 0.7866586715029467
Energy: 0.6757925021051255
Energy: 0.7058795086098103
Energy: 0.7055192396937496
Energy: 0.7058795086071503
Energy: 0.7008448685872665
Energy: 0.699707213635086
Energy: 0.7861313293123747
Energy: 0.6997072136344211
Energy: 0.7016853100882476
Energy: 0.7435404155460752
Energy: 0.705479928525851
Energy: 0.7435404155467402
Energy: 0.7012880268429185
Energy: 0.7495708314665475
Energy: 0.6658267247133987
Energy: 0.7495708314665475
Energy: 0.7063446724334949
Energy: 0.7287978231074893
Energy: 0.699810574796908
Energy: 0.7287978231068244
Energy: 0.7310911332695011
Energy: 0.7009947182299723
Energy: 0.6991797149853867
Energy: 0.7009947182299723
Energy: 0.7420927575806496
Energy: 0.7064306733491402
Energy: 0.6755356139630214
Energy: 0.7064306733498051
Energy: 0.7945962999266752
Energy: 0.7874831457680653
Energy: 0.786313263140658
Energy: 0.7874831457680653
Energy: 0.7896407911151289
Energy: 0.7400209184797161
Energy: 0.7047182571955312
Energy: 0.7400209184797161
Energy: 0.6982417145743068
Energy: 0.6799104031519774
Energy: 0.6733564379764316
Energy: 0.6799104031533072
Energy: 0.7380839329300668
Energy: 0.7010884407003474
Energy: 0.6759022843060711
Energy: 0.7010884407010124
Energy: 0.7316891017334016
Energy: 0.7006410582837143
Energy: 0.6774006471407852
Energy: 0.7006410582843792
Energy: 0.7314573149857193
Energy: 0.728282676779769
Energy: 0.6745577194332667
Energy: 0.728282676779769
Energy: 0.7876988924471852
Energy: 0.7445680132225858
Energy: 0.7423145067919497
Energy: 0.7445680132232507
Energy: 0.7973285098124379
Energy: 0.7396831784617782
Energy: 0.7956467684746116
Energy: 0.7396831784611131
Energy: 0.7377071399126495
Energy: 0.7010676752361215
Energy: 0.7003551834506424
Energy: 0.7010676752354565
Energy: 0.7389308386253433
Energy: 0.6994349871124531
Energy: 0.6978611567005824
Energy: 0.6994349871124531
Energy: 0.7024622059692629
Energy: 0.7510113955529943
Energy: 0.6999027525894379
Energy: 0.7510113955523294
Energy: 0.6653212157996098
Energy: 0.7516184100555523
Energy: 0.6998091824020922
Energy: 0.7516184100548873
Energy: 0.7017034272290739
Energy: 0.7062756756324142
Energy: 0.74280384847134
Energy: 0.706275675633744
Energy: 0.7050904868738128
Energy: 0.7003872340851283
Energy: 0.7313725090416966
Energy: 0.7003872340851283
Energy: 0.7027891496850993
Energy: 0.7397624933116196
Energy: 0.7575066561678715
Energy: 0.7397624933116196
Energy: 0.7854852884488214
Energy: 0.7847168851791828
Energy: 0.7841923998706094
Energy: 0.7847168851791828
Energy: 0.6755306077604243
Energy: 0.7014861448479953
Energy: 0.7385461283399054
Energy: 0.7014861448486605
Energy: 0.6759488010885213
Energy: 0.700563645168558
Energy: 0.6981673249785962
Energy: 0.700563645168558
Energy: 0.673307982078198
Energy: 0.6754385246593907
Energy: 0.7454656088694656
Energy: 0.6754385246600556
Energy: 0.6780050489928621
Energy: 0.6998577726030185
Energy: 0.731509411409411
Energy: 0.6998577726023536
Energy: 0.6762712034238257
Energy: 0.7027583596074812
Energy: 0.7338056130134071
Energy: 0.7027583596088112
Energy: 0.8382168694134359
Energy: 0.7850025778729685
Energy: 0.7873873945153844
Energy: 0.7850025778729685

minimum gb energy = 0.6653212157996098 eV
minimum distance =  2.59148733281884 Angstroms
sigma value = 53


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

Energy: 0.9645448030597927
Energy: 0.7314661727046048
Energy: 0.729972185950852
Energy: 0.7314661727030739
Energy: 0.740137277129619
Energy: 0.6785096943238945
Energy: 0.7545312054235495
Energy: 0.6785096943238945
Energy: 0.727070224408915
Energy: 0.7278092000099949
Energy: 0.7276640133195755
Energy: 0.7278092000084639
Energy: 0.7371860549074921
Energy: 0.6729200183150067
Energy: 0.751759148867706
Energy: 0.6729200183150067
Energy: 0.7312642575192313
Energy: 0.6744151018425696
Energy: 0.6289665543321629
Energy: 0.6744151018456314
Energy: 0.7479323815551863
Energy: 0.6714660206234472
Energy: 0.6276018789244867
Energy: 0.6714660206203854
Energy: 0.8188330486578776
Energy: 0.7297294656079537
Energy: 0.7271163443127514
Energy: 0.729729465603361
Energy: 0.8247770919448539
Energy: 0.6727639350099233
Energy: 0.7368683488906513
Energy: 0.6727639350099233
Energy: 0.7265527854995174
Energy: 0.7281654633522952
Energy: 0.7307850893667249
Energy: 0.7281654633522952
Energy: 0.7316477746873945
Energy: 0.6745929545138869
Energy: 0.7367710000421988
Energy: 0.6745929545169486
Energy: 0.7315233936481461
Energy: 0.6734751737079018
Energy: 0.628078638362239
Energy: 0.6734751737063709
Energy: 0.7473425104096315
Energy: 0.674221810933689
Energy: 0.6310035528059407
Energy: 0.67422181093522
Energy: 0.816149098340893
Energy: 0.6734826158796262
Energy: 0.7377304412565542
Energy: 0.6734826158780953

minimum gb energy = 0.6276018789244867 eV
minimum distance =  2.60366106641341 Angstroms
sigma value = 9


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

Energy: 0.9469726380955595
Energy: 0.8169595415658688
Energy: 0.8172614326790598
Energy: 0.8169595415647356
Energy: 0.6935382873999375
Energy: 0.6982240187127194
Energy: 0.8247255754399725
Energy: 0.6982240187104531
Energy: 0.6851835280528559
Energy: 0.686920657089453
Energy: 0.8123513296301451
Energy: 0.6869206570900197
Energy: 0.6871509043710335
Energy: 0.686659292785531
Energy: 0.8654811704323744
Energy: 0.6866592927860975
Energy: 0.6914604442347089
Energy: 0.6909434140419127
Energy: 0.8813737155957743
Energy: 0.6909434140430459
Energy: 0.6928583522975974
Energy: 0.6910008022810002
Energy: 0.8804104992261986
Energy: 0.6910008022815668
Energy: 0.8233719129222086
Energy: 0.8077806640162801
Energy: 0.8152278773701126
Energy: 0.8077806640174133
Energy: 0.8243338010600554
Energy: 0.7584548396188708
Energy: 0.8121851364743521
Energy: 0.7584548396183043
Energy: 0.7217370955703707
Energy: 0.7178094712791419
Energy: 0.7289408328600616
Energy: 0.7178094712785752
Energy: 0.6978260794016773
Energy: 0.6910459230872643
Energy: 0.8154096389849752
Energy: 0.6910459230872643
Energy: 0.7217907861691205
Energy: 0.7544461087919819
Energy: 0.7552727450000355
Energy: 0.7544461087914154
Energy: 0.7290143669025909
Energy: 0.7228012275560713
Energy: 0.8723460166332225
Energy: 0.7228012275538049
Energy: 0.82290233661473
Energy: 0.7217551969830927
Energy: 0.7232691084678126
Energy: 0.7217551969813928
Energy: 0.8231432734679361
Energy: 0.7211554946206817
Energy: 0.7214271085149225
Energy: 0.7211554946201152
Energy: 0.8144809895426849
Energy: 0.7196875767768829
Energy: 0.7226117871328334
Energy: 0.7196875767763162
Energy: 0.7552314101549457
Energy: 0.7217147746069951
Energy: 0.7235846763232587
Energy: 0.7217147746064284
Energy: 0.8164651591951005
Energy: 0.6983066770298467
Energy: 0.7214033650516345
Energy: 0.6983066770315467
Energy: 0.8107599746179573
Energy: 0.808572170274523
Energy: 0.8725872018136729
Energy: 0.8085721702739563
Energy: 0.8257499253922509
Energy: 0.6890312981153072
Energy: 0.6989895512452017
Energy: 0.6890312981153072
Energy: 0.8141358031773258
Energy: 0.6869491940733454
Energy: 0.6855495401554497
Energy: 0.6869491940722123
Energy: 0.8669389660412437
Energy: 0.6874419923943988
Energy: 0.687698625127739
Energy: 0.6874419923943988
Energy: 0.880864011936832
Energy: 0.6917490204850342
Energy: 0.692371698673811
Energy: 0.691749020483901
Energy: 0.8812353765911987
Energy: 0.6891021390989801
Energy: 0.6918485067975453
Energy: 0.6891021390995468
Energy: 0.8169725878812826
Energy: 0.8064346505692798
Energy: 0.8235153896909825
Energy: 0.8064346505698463
Energy: 0.8099000982857683
Energy: 0.7650440038728068
Energy: 0.8242600273810013
Energy: 0.7650440038716737
Energy: 0.7270010682763234
Energy: 0.7659028357897322
Energy: 0.7216237392405727
Energy: 0.7659028357902987
Energy: 0.8163150986883774
Energy: 0.6917952986084447
Energy: 0.7001282024141032
Energy: 0.6917952986101445
Energy: 0.774203675483089
Energy: 0.7232683568367542
Energy: 0.7218789212596946
Energy: 0.723268356835621
Energy: 0.8729493703412867
Energy: 0.7218034966258964
Energy: 0.7268936400456917
Energy: 0.7218034966236299
Energy: 0.7214780882677869
Energy: 0.7199962666189078
Energy: 0.8250786858751261
Energy: 0.7199962666183412
Energy: 0.7226240771685123
Energy: 0.7198424858248472
Energy: 0.812706036153524
Energy: 0.7198424858248472
Energy: 0.7246933259658235
Energy: 0.7215161996291494
Energy: 0.8142420019159456
Energy: 0.7215161996291494
Energy: 0.7253177697161061
Energy: 0.7605409376959194
Energy: 0.7622431223801683
Energy: 0.7605409376964859
Energy: 0.721274386352274
Energy: 0.6910115110256865
Energy: 0.7578602255613527
Energy: 0.691011511026253
Energy: 0.8729396485054052
Energy: 0.8081211589510152
Energy: 0.8090107225342726
Energy: 0.8081211589521485

minimum gb energy = 0.6851835280528559 eV
minimum distance =  2.5742709660067 Angstroms
sigma value = 73


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

Energy: 0.8984392285473983
Energy: 0.7689203663387677
Energy: 0.7764027420636452
Energy: 0.7689203663387677
Energy: 0.6874614060353146
Energy: 0.6878538011999129
Energy: 0.7836913420630065
Energy: 0.687853801199014
Energy: 0.6827926795403593
Energy: 0.6842084234794052
Energy: 0.7639967124520453
Energy: 0.6842084234794052
Energy: 0.682663325108951
Energy: 0.6850736976684555
Energy: 0.8538586946661563
Energy: 0.6850736976684555
Energy: 0.6859988771453692
Energy: 0.6865444609559339
Energy: 0.8487439965820001
Energy: 0.6865444609559339
Energy: 0.6905050687701617
Energy: 0.6872176440046215
Energy: 0.852419637107332
Energy: 0.6872176440055204
Energy: 0.775511326979158
Energy: 0.7682819137389935
Energy: 0.7720231333336721
Energy: 0.7682819137389935
Energy: 0.7770506528686913
Energy: 0.7699390270596372
Energy: 0.7669279261454574
Energy: 0.7699390270605362
Energy: 0.7676724830685994
Energy: 0.7343355052859715
Energy: 0.768815673992846
Energy: 0.7343355052859715
Energy: 0.6968933692504163
Energy: 0.7354833860744106
Energy: 0.7669158204382102
Energy: 0.7354833860744106
Energy: 0.7671415835051459
Energy: 0.7386257984492463
Energy: 0.7009100154727304
Energy: 0.7386257984492463
Energy: 0.7711354971416106
Energy: 0.7735170642292754
Energy: 0.8484973882199651
Energy: 0.7735170642292754
Energy: 0.7650452117491109
Energy: 0.6872601929719823
Energy: 0.6925277936836137
Energy: 0.6872601929719823
Energy: 0.7640735563347325
Energy: 0.6855237277956275
Energy: 0.6849076537353176
Energy: 0.6855237277956275
Energy: 0.853262207499585
Energy: 0.6847043712041255
Energy: 0.6818880745343798
Energy: 0.6847043712041255
Energy: 0.8486787390045543
Energy: 0.6845011053953922
Energy: 0.684584146193391
Energy: 0.6845011053953922
Energy: 0.8488207302716089
Energy: 0.689653750863522
Energy: 0.6878416592648331
Energy: 0.689653750863522
Energy: 0.7702157554743163
Energy: 0.7712028870907024
Energy: 0.7758345171114014
Energy: 0.7712028870907024
Energy: 0.7666239148904322
Energy: 0.7356690806218933
Energy: 0.7781532500181406
Energy: 0.7356690806218933
Energy: 0.7690622812440767
Energy: 0.7347335933923845
Energy: 0.767619276448283
Energy: 0.7347335933923845
Energy: 0.7679580662843626
Energy: 0.7322486185947773
Energy: 0.6810955761551449
Energy: 0.7322486185938784
Energy: 0.8524159702545376
Energy: 0.7683991782277158
Energy: 0.7654031776023653
Energy: 0.7683991782277158

minimum gb energy = 0.6810955761551449 eV
minimum distance =  2.53871251730864 Angstroms
sigma value = 7


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

Energy: 1.1873105032154134
Energy: 0.780757919453528
Energy: 0.7905030469727854
Energy: 0.7807579194585844
Energy: 0.7022611120278884
Energy: 0.7066073168506967
Energy: 0.8356631841247308
Energy: 0.7066073168519682
Energy: 0.6957479901213395
Energy: 0.6983902191245153
Energy: 0.779017396967382
Energy: 0.6983902191226082
Energy: 0.696743489506473
Energy: 0.6972193352871495
Energy: 0.8353098862470714
Energy: 0.6972193352858781
Energy: 0.6982468298816595
Energy: 0.6984207423280151
Energy: 0.8345384740115275
Energy: 0.6984207423286507
Energy: 0.7050760346901361
Energy: 0.7006073635583036
Energy: 0.8338591036200174
Energy: 0.7006073635595749
Energy: 0.8425289211952316
Energy: 0.6969035877760361
Energy: 0.7057009169105681
Energy: 0.6969035877779433
Energy: 0.836089355769754
Energy: 0.701677412975604
Energy: 0.7019621826580368
Energy: 0.7016774129711543
Energy: 0.7751754725144758
Energy: 0.7052038500701118
Energy: 0.702971858680851
Energy: 0.705203850065691
Energy: 0.8627522620149769
Energy: 0.6990193882092417
Energy: 0.698395884529119
Energy: 0.6990193882079704
Energy: 0.7835244291491281
Energy: 0.7426322353289976
Energy: 0.7671995576252422
Energy: 0.7426322353289976
Energy: 0.7800009544310305
Energy: 0.7717564761430539
Energy: 0.8428287195540005
Energy: 0.7717564761468677
Energy: 0.7702167766229107
Energy: 0.7410281417776287
Energy: 0.7765915411299479
Energy: 0.7410281417744503
Energy: 0.7711773673527987
Energy: 0.7401942836020559
Energy: 0.7064470842349795
Energy: 0.7401942835956992
Energy: 0.776344927853488
Energy: 0.7407532284313175
Energy: 0.7040848500834254
Energy: 0.7407532284332246
Energy: 0.833059084458928
Energy: 0.7718957124925505
Energy: 0.7799711807057962
Energy: 0.7718957124950642
Energy: 0.8335657324921274
Energy: 0.7460826341080571
Energy: 0.7834836936232374
Energy: 0.7460826341055143
Energy: 0.6983920604528487
Energy: 0.6992410697168393
Energy: 0.7886082524326635
Energy: 0.699241069715568
Energy: 0.7021204473961083
Energy: 0.7000661493522679
Energy: 0.8354736155098985
Energy: 0.7000661493535392
Energy: 0.702201638358679
Energy: 0.7014434804879986
Energy: 0.8392435828934591
Energy: 0.7014434804867273
Energy: 0.7064179400455367
Energy: 0.6973001091372012
Energy: 0.8378754896470941
Energy: 0.6973001091359298
Energy: 0.838514096061675
Energy: 0.6995188147942782
Energy: 0.7036848850823892
Energy: 0.699518814794914
Energy: 0.839832715785398
Energy: 0.6978163253847516
Energy: 0.6974134462824416
Energy: 0.6978163253682531
Energy: 0.8352178562376277
Energy: 0.6976400196307465
Energy: 0.6958874852453024
Energy: 0.6976400196288394
Energy: 0.8415565402315871
Energy: 0.6976890138274215
Energy: 0.6963594564395558
Energy: 0.6976890138286929
Energy: 0.833419452542193
Energy: 0.7061121690903736
Energy: 0.704191999494196
Energy: 0.7061121690922806
Energy: 0.7822499502878183
Energy: 0.7790488103857521
Energy: 1.0256688663416127
Energy: 0.7790488103838451
Energy: 0.7707777713898148
Energy: 0.7438605065651592
Energy: 0.7766050600914969
Energy: 0.7438605065702445
Energy: 0.7770303365639134
Energy: 0.7412070452436628
Energy: 0.7691107622178498
Energy: 0.7412070452423913
Energy: 0.7733360302026754
Energy: 0.6992740640242852
Energy: 0.7066663077918033
Energy: 0.6992740640268278
Energy: 0.8331594494473487
Energy: 0.7759321710971624
Energy: 0.7767295194912747
Energy: 0.7759321710946196

minimum gb energy = 0.6957479901213395 eV
minimum distance =  2.54836533443106 Angstroms
sigma value = 29


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

Energy: 0.6663605252611489
Energy: 0.7660459055169347
Energy: 0.7224197641907619
Energy: 0.7660459055162951
Energy: 0.678107720047628
Energy: 0.7128619772010802
Energy: 0.6736339578222383
Energy: 0.7128619772010802
Energy: 0.6699505599043075
Energy: 0.709201311242015
Energy: 0.6726136715568226
Energy: 0.7092013112417935
Energy: 0.6645007580257972
Energy: 0.6708461460299232
Energy: 0.6704526095136049
Energy: 0.6708461460297264
Energy: 0.6683905213958291
Energy: 0.6754792401108294
Energy: 0.6627916702828244
Energy: 0.6754792401110262
Energy: 0.6692078235518752
Energy: 0.7072467098641619
Energy: 0.6633174986839511
Energy: 0.7072467098639406
Energy: 0.6650846463287373
Energy: 0.7089493911212605
Energy: 0.6699921437232161
Energy: 0.7089493911214819
Energy: 0.6742932957373038
Energy: 0.6765485169146329
Energy: 0.6727992624265128
Energy: 0.6765485169142147
Energy: 0.6746609826649893
Energy: 0.6767675583924689
Energy: 0.6782322964930265
Energy: 0.6767675583924689

minimum gb energy = 0.6627916702828244 eV
minimum distance =  2.57208660450727 Angstroms
sigma value = 5


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

Energy: 1.0150550658592368
Energy: 0.6711098533465835
Energy: 0.7465813202932214
Energy: 0.6711098534972189
Energy: 0.7206876653147146
Energy: 0.6679925825980604
Energy: 0.7803244386520505
Energy: 0.6679925826016632
Energy: 0.7755230501150583
Energy: 0.7222030636007841
Energy: 0.7798579317912623
Energy: 0.7222030636013845
Energy: 0.7389294851792532
Energy: 0.6683280257916974
Energy: 0.7805038432470571
Energy: 0.6683280257971016
Energy: 0.7236247935751846
Energy: 0.6679971286741603
Energy: 0.7392329353462516
Energy: 0.6679971286753613
Energy: 0.6666721372732138
Energy: 0.672951502503058
Energy: 0.7394311911091578
Energy: 0.6729515025054327
Energy: 0.6671381461194891
Energy: 0.6686193692245461
Energy: 0.7800132503912552
Energy: 0.6686193692209433
Energy: 0.6711200082509163
Energy: 0.6683701701522371
Energy: 0.8206369448001986
Energy: 0.6683701701534381
Energy: 0.7062788302102617
Energy: 0.679063138559404
Energy: 0.8184935808184659
Energy: 0.6790631385588036
Energy: 0.8754371381494964
Energy: 0.6512696172172958
Energy: 0.6551870370245286
Energy: 0.6512696172190973
Energy: 0.7058011197557005
Energy: 0.6512138898222952
Energy: 0.649357907605904
Energy: 0.6512138898186924
Energy: 0.8230664379846404
Energy: 0.6516800111623323
Energy: 0.6520088893934134
Energy: 0.6516800111629328
Energy: 0.8244543089888335
Energy: 0.6501903847191115
Energy: 0.6658960482868644
Energy: 0.6501903847155086
Energy: 0.7896663829406853
Energy: 0.6388785341982061
Energy: 0.8235220068581003
Energy: 0.6388785341994071
Energy: 0.7003550388420838
Energy: 0.6438086477314635
Energy: 0.8215476797689716
Energy: 0.6438086477338653
Energy: 0.6964848606427857
Energy: 0.6387093387980779
Energy: 0.68984078332412
Energy: 0.6387093387980779
Energy: 0.6960792225222837
Energy: 0.6402426598811907
Energy: 0.688084382859432
Energy: 0.6402426598805903
Energy: 0.8000512948874073
Energy: 0.6384191034925277
Energy: 0.6917596944652751
Energy: 0.6384191034925277
Energy: 0.8006556527575435
Energy: 0.6976774770189997
Energy: 0.6943238404688399
Energy: 0.6976774770196001
Energy: 0.7990440725767441
Energy: 0.7403551786297676
Energy: 0.7408349408819742
Energy: 0.7403551786315692
Energy: 0.7387585407771412
Energy: 0.6780878115581017
Energy: 0.6898111394272751
Energy: 0.6780878115581017
Energy: 0.7398374311280561
Energy: 0.6744693521560235
Energy: 0.6741423504426538
Energy: 0.6744693521548225
Energy: 0.7856125166717699
Energy: 0.6753473751668236
Energy: 0.6733092988043502
Energy: 0.6753473751674242
Energy: 0.8238466927061585
Energy: 0.674758844795742
Energy: 0.6769936043082709
Energy: 0.6747588447951416
Energy: 0.8219585693532643
Energy: 0.7159874331662599
Energy: 0.6967393704813659
Energy: 0.7159874331686618
Energy: 0.6457809109622933
Energy: 0.6444043611197182
Energy: 0.8756925642505143
Energy: 0.6444043611137134
Energy: 0.643537907508062
Energy: 0.6442282190235376
Energy: 0.6976865961231905
Energy: 0.6442282190247385
Energy: 0.6436923983806075
Energy: 0.6439168754164588
Energy: 0.6822556779534865
Energy: 0.6439168754152579
Energy: 0.6458251388280861
Energy: 0.6428614123417661
Energy: 0.8217947164129041
Energy: 0.6428614123393642
Energy: 0.8224376233561996
Energy: 0.6753481900283639
Energy: 0.69242988755922
Energy: 0.6753481900283639
Energy: 0.8234349817931316
Energy: 0.6674638840501723
Energy: 0.6671481018220725
Energy: 0.6674638840543755
Energy: 0.7206582649641925
Energy: 0.6665894813764908
Energy: 0.6665481515263819
Energy: 0.6665894813806941
Energy: 0.6768084139810798
Energy: 0.6687526494247473
Energy: 0.6685704315389742
Energy: 0.6687526494265488

minimum gb energy = 0.6384191034925277 eV
minimum distance =  2.54831541224694 Angstroms
sigma value = 1


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

Energy: 1.0014021339710835
Energy: 0.629559257650513
Energy: 0.7129913808587722
Energy: 0.6295592576513432
Energy: 0.6360565138931953
Energy: 0.6282727075450344
Energy: 0.6347880967043634
Energy: 0.628272707546695
Energy: 0.6389860312245984
Energy: 0.6993880535642782
Energy: 0.6387062910392501
Energy: 0.6993880535642782
Energy: 0.6534820363128141
Energy: 0.701543382502192
Energy: 0.6316523349765304
Energy: 0.701543382502192
Energy: 0.6302700763981935
Energy: 0.628511123833857
Energy: 0.6327042198544988
Energy: 0.6285111238330268
Energy: 0.6275427188237083
Energy: 0.6283462279737823
Energy: 0.6327202920164727
Energy: 0.6283462279762729
Energy: 0.6264434377745018
Energy: 0.6278710462132562
Energy: 0.6325843441001852
Energy: 0.627871046212426
Energy: 0.6313250663576873
Energy: 0.6286726868031489
Energy: 0.8554976663080697
Energy: 0.6286726868031489
Energy: 0.6326921716973019
Energy: 0.6466929069908699
Energy: 0.6017967298545254
Energy: 0.6466929069925305
Energy: 0.6349425246638547
Energy: 0.6294460176270006
Energy: 0.633647863085328
Energy: 0.6294460176278308
Energy: 0.6328184334437783
Energy: 0.6287383053000688
Energy: 0.6258964068646469
Energy: 0.6287383052975779
Energy: 0.5997328339777519
Energy: 0.6305919365035114
Energy: 0.6272785039191104
Energy: 0.6305919365043416
Energy: 0.5988527954147447
Energy: 0.627582202867065
Energy: 0.6296329646637473
Energy: 0.6275822028678953
Energy: 0.6326540764981203
Energy: 0.6303823022369446
Energy: 0.6377102697436687
Energy: 0.6303823022361142
Energy: 0.6546187549910026
Energy: 0.6984515307689357
Energy: 0.6346126572648885
Energy: 0.6984515307689357
Energy: 0.6571183584221816
Energy: 0.6283289962725017
Energy: 0.6297060829517368
Energy: 0.6283289962716715
Energy: 0.6298770585702416
Energy: 0.6289417585392304
Energy: 0.6328154247590851
Energy: 0.6289417585392304
Energy: 0.6314907858711643
Energy: 0.6288365414327705
Energy: 0.6279424216788392
Energy: 0.6288365414327705
Energy: 0.6266600676497109
Energy: 0.6275391085872738
Energy: 0.734808665767522
Energy: 0.6275391085872738
Energy: 0.6383439298576954
Energy: 0.6335167539945046
Energy: 0.8528596492924173
Energy: 0.6335167539961651
Energy: 0.6329613050059183
Energy: 0.6462398406427508
Energy: 0.6315015727446505
Energy: 0.6462398406435811
Energy: 0.6351826861318106
Energy: 0.6281201796933455
Energy: 0.629152099706339
Energy: 0.6281201796958363
Energy: 0.6858330799641116
Energy: 0.6275659950908321
Energy: 0.626675833379712
Energy: 0.6275659950891715
Energy: 0.5987627411702663
Energy: 0.6275904807794915
Energy: 0.6289372610435128
Energy: 0.6275904807836427

minimum gb energy = 0.5987627411702663 eV
minimum distance =  2.55389120759921 Angstroms
sigma value = 17


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

Energy: 1.0749848443267345
Energy: 0.6280659962686209
Energy: 0.7205774407072791
Energy: 0.6280659963573506
Energy: 0.6273146971704835
Energy: 0.6268456167044919
Energy: 0.7154366121700949
Energy: 0.6268456167055182
Energy: 0.7781760860261918
Energy: 0.6608226078690507
Energy: 0.7321739704286112
Energy: 0.6608226078695637
Energy: 0.8167157177010049
Energy: 0.6567949231695455
Energy: 0.7081624437826814
Energy: 0.6567949231690791
Energy: 0.6899375200288697
Energy: 0.6058760208212045
Energy: 0.7121519728780736
Energy: 0.6058760208222307
Energy: 0.6070907904682438
Energy: 0.606395783548106
Energy: 0.6925668814230342
Energy: 0.606395783548619
Energy: 0.6066551809781137
Energy: 0.6062231273969411
Energy: 0.6467593729309802
Energy: 0.6062231273974542
Energy: 0.6089363381492734
Energy: 0.6069202150555494
Energy: 0.6091357949245523
Energy: 0.6069202150576019
Energy: 0.6901331729591276
Energy: 0.6078250983385178
Energy: 0.7115504235286431
Energy: 0.6078250983374917
Energy: 0.7465266844959765
Energy: 0.6610985595634798
Energy: 0.7143798219214441
Energy: 0.6610985595650194
Energy: 0.6905822675746907
Energy: 0.6239746439150122
Energy: 0.6403332630603482
Energy: 0.6239746439114201
Energy: 0.6936411934818023
Energy: 0.6283150715608912
Energy: 0.7073620156384104
Energy: 0.6283150715603781
Energy: 0.6962910704588604
Energy: 0.6235761506661787
Energy: 0.6246877424330033
Energy: 0.6235761506656654
Energy: 0.6277118823414223
Energy: 0.6253840280759894
Energy: 0.6260234167972172
Energy: 0.6253840280770157
Energy: 0.8157439116620969
Energy: 0.6265505948887174
Energy: 0.6291375065865297
Energy: 0.6265505948887174
Energy: 0.6081005367196628
Energy: 0.6363450176823682
Energy: 0.6262610415496342
Energy: 0.6363450176823682
Energy: 0.6261410894129841
Energy: 0.6284714673528783
Energy: 0.7127466734492837
Energy: 0.628471467351339
Energy: 0.6248010297742844
Energy: 0.624315607557918
Energy: 0.6905018225588009
Energy: 0.6243156075574049
Energy: 0.6332252181018082
Energy: 0.6275890060551339
Energy: 0.7077086608497297
Energy: 0.6275890060551339
Energy: 0.6269241099857461
Energy: 0.6251238677407672
Energy: 0.6085023027527671
Energy: 0.625123867740254
Energy: 0.7137140010245935
Energy: 0.6260693199765759
Energy: 0.6268217784855029
Energy: 0.6260693199765759
Energy: 0.7312465528872509
Energy: 0.6610137691288038
Energy: 0.8116569712487474
Energy: 0.6610137691298301
Energy: 0.6451016217446205
Energy: 0.655568063995694
Energy: 0.8156313040663516
Energy: 0.6555680639962072
Energy: 0.7124898806494033
Energy: 0.606256968216243
Energy: 0.6900665173387206
Energy: 0.606256968216756
Energy: 0.6925374936208195
Energy: 0.6069271562652283
Energy: 0.6074176064346494
Energy: 0.6069271562636891
Energy: 0.6481664122746018
Energy: 0.6065269036658889
Energy: 0.6068486074885344
Energy: 0.6065269036669153
Energy: 0.6104058696129336
Energy: 0.6073542791171848
Energy: 0.6081870731632576
Energy: 0.6073542791176981
Energy: 0.6436993903386675
Energy: 0.6071909621490087
Energy: 0.6922200865738554
Energy: 0.6071909621484957
Energy: 0.7132763994830797
Energy: 0.6605373346707553
Energy: 0.73194861074502
Energy: 0.660537334672808
Energy: 0.6421380536099688
Energy: 0.6245242877934319
Energy: 0.6902185555108507
Energy: 0.6245242877924058
Energy: 0.7063770182003611
Energy: 0.6249657016339134
Energy: 0.6940295703506175
Energy: 0.6249657016349396
Energy: 0.6241899570724108
Energy: 0.6237926630844214
Energy: 0.6947359598566327
Energy: 0.6237926630844214
Energy: 0.6249877364345119
Energy: 0.6244419323420255
Energy: 0.6279774681278145
Energy: 0.624441932343565
Energy: 0.6308334747052725
Energy: 0.6272289355805604
Energy: 0.819275807464663
Energy: 0.6272289355820999
Energy: 0.6270812012126927
Energy: 0.6351566285620486
Energy: 0.6111853272892565
Energy: 0.6351566285625617
Energy: 0.9638567971017805
Energy: 0.6284661488845932
Energy: 0.6295805523303691
Energy: 0.6284661488866459
Energy: 0.6286434663352538
Energy: 0.623790930436543
Energy: 0.6239547247059488
Energy: 0.6237909304283326
Energy: 0.7721928298206453
Energy: 0.6292206903560629
Energy: 0.6279957887944619
Energy: 0.629220690356576

minimum gb energy = 0.6058760208212045 eV
minimum distance =  2.54640254801096 Angstroms
sigma value = 89


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

Energy: 1.1408030863849694
Energy: 0.568993632885449
Energy: 0.6736394189192463
Energy: 0.568993632889477
Energy: 0.5726099466473823
Energy: 0.6255693193790783
Energy: 0.5750055054521768
Energy: 0.6255693193804209
Energy: 0.5782716715455432
Energy: 0.6243473774086654
Energy: 0.5808838153586532
Energy: 0.6243473774073227
Energy: 0.5649455251167014
Energy: 0.6239868811944534
Energy: 0.5680016126556853
Energy: 0.6239868811944534
Energy: 0.5669416847522531
Energy: 0.568166506532998
Energy: 0.5781135358466057
Energy: 0.5681665065343408
Energy: 0.570408110496557
Energy: 0.5673755240093866
Energy: 0.5777030250008757
Energy: 0.5673755240093866
Energy: 0.5690562363629394
Energy: 0.5664383883864557
Energy: 0.5688817251388112
Energy: 0.5664383883877984
Energy: 0.5736581185824708
Energy: 0.5707481520958111
Energy: 0.5631901235069737
Energy: 0.5707481520971538
Energy: 0.5704639612558535
Energy: 0.5672004403721895
Energy: 0.5716722465208967
Energy: 0.5672004403721895
Energy: 0.5816799127499518
Energy: 0.6261220802152185
Energy: 0.5735103761236272
Energy: 0.6261220802152185
Energy: 0.5694993966013997
Energy: 0.6184356279465199
Energy: 0.5617596628141953
Energy: 0.6184356279478626
Energy: 0.5783882404591764
Energy: 0.5668528547926014
Energy: 0.5696411852285665
Energy: 0.5668528547926014
Energy: 0.579090927155794
Energy: 0.5691539747780087
Energy: 0.5720025778089596
Energy: 0.569153974776666
Energy: 0.5685175655798902
Energy: 0.5650247112079666
Energy: 0.5678609267036195
Energy: 0.5650247112079666
Energy: 0.5630014537577562
Energy: 0.568627666128516
Energy: 0.5714261992540267
Energy: 0.568627666128516

minimum gb energy = 0.5617596628141953 eV
minimum distance =  2.57477964471876 Angstroms
sigma value = 13


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

Energy: 1.0019598108623893
Energy: 0.5498457933627324
Energy: 0.6702454812452749
Energy: 0.5498457936744039
Energy: 0.7183596664982818
Energy: 0.5457852462257472
Energy: 0.6372258802466833
Energy: 0.5457852462117292
Energy: 0.5508027497706189
Energy: 0.545523693810929
Energy: 0.6372587572047714
Energy: 0.5455236938137429
Energy: 0.7547044552188823
Energy: 0.5482757828708125
Energy: 0.633722262876829
Energy: 0.5482757828741892
Energy: 0.7226326203061069
Energy: 0.5464922650210311
Energy: 0.6350551602658212
Energy: 0.5464922650210311
Energy: 0.6367355631944963
Energy: 0.5455613786086626
Energy: 0.6319896095784119
Energy: 0.5455613786120392
Energy: 0.6369564946635955
Energy: 0.5452579548940253
Energy: 0.7185014142534187
Energy: 0.5452579548934625
Energy: 0.634255569364042
Energy: 0.5453750968861261
Energy: 0.6336114942998481
Energy: 0.5453750968855634
Energy: 0.5449943256193933
Energy: 0.5450019929576606
Energy: 0.6340769663324562
Energy: 0.5450019929525957
Energy: 0.5446798116331776
Energy: 0.5441817923884066
Energy: 0.7244034683817915
Energy: 0.544181792387281
Energy: 0.545583912858649
Energy: 0.5446375043035353
Energy: 1.0015758002545583
Energy: 0.5446375043063492
Energy: 0.631924307625015
Energy: 0.5437084671878523
Energy: 0.6344270887528005
Energy: 0.5437084671889778
Energy: 0.6355290173055885
Energy: 0.5713507720875093
Energy: 0.720666103054818
Energy: 0.5713507720790677
Energy: 0.6335760761144127
Energy: 0.5723882837039911
Energy: 0.7244392054034191
Energy: 0.572388283714121
Energy: 0.6367082411326801
Energy: 0.5466081760344449
Energy: 0.7192588038199346
Energy: 0.5466081760434492
Energy: 0.6418108213721538
Energy: 0.5453343169860579
Energy: 0.5489178219712421
Energy: 0.5453343169849323
Energy: 0.7198976475366744
Energy: 0.5446706514360178
Energy: 0.5479380815608819
Energy: 0.5446706514393944
Energy: 0.5582595331709652
Energy: 0.5458387118073903
Energy: 0.5485577264026172
Energy: 0.5458387118000744
Energy: 0.7096366035594597
Energy: 0.5450302853740583
Energy: 0.6326247601717399
Energy: 0.54503028537237
Energy: 0.7245988691954236
Energy: 0.5457347742179882
Energy: 0.6386700574420996
Energy: 0.5457347742191138
Energy: 0.7610662615174394
Energy: 0.5447010148936091
Energy: 0.6313009778528604
Energy: 0.5447010148991857
Energy: 0.7239278256775538
Energy: 0.5863042461428831
Energy: 0.6312856626410656
Energy: 0.5863042461468225
Energy: 0.6367864449022251
Energy: 0.5467668511411587
Energy: 0.6342276568452725
Energy: 0.5467668511400332
Energy: 0.5520338101785582
Energy: 0.5458713939600467
Energy: 0.720099423875656
Energy: 0.5458713939656743
Energy: 0.6330963351570896
Energy: 0.5441353139713762
Energy: 0.6415175798793618
Energy: 0.5441353139641114
Energy: 0.5445791373887533
Energy: 0.5439900645269674
Energy: 0.6414688678336045
Energy: 0.5439900645325951
Energy: 0.5444674672955798
Energy: 0.5440075955845072
Energy: 0.7224204447202532
Energy: 0.54400759558507
Energy: 0.5460631965639844
Energy: 0.5475662829198605
Energy: 0.5611026432843735
Energy: 0.5475662829131074
Energy: 0.7202860329797214
Energy: 0.5451057215296216
Energy: 0.7261351485687255
Energy: 0.5451057215363748
Energy: 0.6543358910639497
Energy: 0.5728042403821504
Energy: 0.7195943457125366
Energy: 0.5728042403832759
Energy: 0.7205010077896652
Energy: 0.5742877779363104
Energy: 0.7613839753842254
Energy: 0.5742877779351848
Energy: 0.637622255946412
Energy: 0.545266493918363
Energy: 0.7192987008875802
Energy: 0.5452664939144236
Energy: 0.6379010361243588
Energy: 0.5464721102841226
Energy: 0.5481620540016842
Energy: 0.5464721102784948
Energy: 0.7206433299930812
Energy: 0.5443071913798194
Energy: 0.5471789537028505
Energy: 0.5443071913764428
Energy: 0.7091064584296565
Energy: 0.5441498424593266
Energy: 0.5456836081637102
Energy: 0.5441498424559499

minimum gb energy = 0.5437084671878523 eV
minimum distance =  2.56650747216552 Angstroms
sigma value = 37


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

Energy: 0.866792738553108
Energy: 0.4991322370648718
Energy: 0.503013449565329
Energy: 0.49913223706390364
Energy: 0.7869875062218431
Energy: 0.4982062556686385
Energy: 0.6435598440163333
Energy: 0.4982062556686385
Energy: 0.7821482650261216
Energy: 0.5556172734736635
Energy: 0.645062882378371
Energy: 0.5556172734736635
Energy: 0.7804775618609692
Energy: 0.5532915046027604
Energy: 0.6426643759416154
Energy: 0.5532915046027604
Energy: 0.7862572896606944
Energy: 0.557385624618406
Energy: 0.6450515821097895
Energy: 0.557385624618406
Energy: 0.6446985034840782
Energy: 0.49813872413366783
Energy: 0.6410018530158891
Energy: 0.49813872413366783
Energy: 0.500037952298367
Energy: 0.495814538973701
Energy: 0.7861091127690463
Energy: 0.495814538973701
Energy: 0.5028172494067568
Energy: 0.5003766468712796
Energy: 0.6424462084166601
Energy: 0.5003766468712796
Energy: 0.5003670266209412
Energy: 0.4966269300837493
Energy: 0.6400062562543332
Energy: 0.4966269300827811
Energy: 0.49764737108493606
Energy: 0.49760169751095107
Energy: 0.7871697572294207
Energy: 0.49760169751095107
Energy: 0.5030134495643608
Energy: 0.4991322370648718
Energy: 0.866792738553108
Energy: 0.4991322370648718
Energy: 0.6435598440163333
Energy: 0.49820625566960675
Energy: 0.7869875062228112
Energy: 0.4982062556686385
Energy: 0.6450628823793391
Energy: 0.5556172734746316
Energy: 0.7821482650251533
Energy: 0.5556172734755999
Energy: 0.6426643759416154
Energy: 0.5532915046027604
Energy: 0.7804775618609692
Energy: 0.5532915046027604
Energy: 0.6450515821088213
Energy: 0.557385624618406
Energy: 0.7862572896597262
Energy: 0.557385624618406
Energy: 0.6410018530139526
Energy: 0.4981387241346361
Energy: 0.6446985034840782
Energy: 0.4981387241356043
Energy: 0.7861091127699923
Energy: 0.495814538973701
Energy: 0.500037952298367
Energy: 0.495814538973701
Energy: 0.6424462154302548
Energy: 0.5003766468703114
Energy: 0.5028172494067568
Energy: 0.5003766468712796
Energy: 0.6400062562553014
Energy: 0.4966269300837493
Energy: 0.5003670266209412
Energy: 0.4966269300837493
Energy: 0.787169757230389
Energy: 0.4976016975119192
Energy: 0.4976473710859043
Energy: 0.4976016975119192

minimum gb energy = 0.495814538973701 eV
minimum distance =  2.57869068749775 Angstroms
sigma value = 25


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

Energy: 1.0440786349599331
Energy: 0.4522444751124925
Energy: 0.600671196231348
Energy: 0.45224447512153076
Energy: 0.7919871618923425
Energy: 0.4500867128318273
Energy: 0.5719315768366167
Energy: 0.4500867128318273
Energy: 0.8939561320624431
Energy: 0.4496610442602872
Energy: 0.5723801009479144
Energy: 0.4496610442602872
Energy: 0.6983188361271245
Energy: 0.45057079945670825
Energy: 0.6958144129161704
Energy: 0.4505707994597325
Energy: 0.6973123570785931
Energy: 0.4993259751847901
Energy: 0.798832773820399
Energy: 0.4993259751855461
Energy: 0.6925862167828998
Energy: 0.4955149039806184
Energy: 0.7944451862084903
Energy: 0.4955149039806184
Energy: 0.6947499408825553
Energy: 0.4986205920442895
Energy: 0.6965308507161235
Energy: 0.4986205920405092
Energy: 0.6958577244213988
Energy: 0.4508083594994736
Energy: 0.79203452869216
Energy: 0.4508083594994736
Energy: 0.5721601694633849
Energy: 0.4495768493367743
Energy: 0.7925088660382706
Energy: 0.44957684933753034
Energy: 0.5702220969320064
Energy: 0.44975722220103936
Energy: 0.6986216572934615
Energy: 0.4497572222017954
Energy: 0.4522227433204287
Energy: 0.4521788616341029
Energy: 0.8852970369215017
Energy: 0.45217886163259086
Energy: 0.4500044488574806
Energy: 0.44970593416586674
Energy: 0.792072278866383
Energy: 0.44970593416586674
Energy: 0.45049848934454173
Energy: 0.4505019105960158
Energy: 0.6910838048287105
Energy: 0.45050191059677186
Energy: 0.5741007633836491
Energy: 0.4506258628262074
Energy: 0.8881377523781028
Energy: 0.4506258628269635
Energy: 0.5725666510333965
Energy: 0.4497342487227756
Energy: 0.6968364753426545
Energy: 0.44973424872353174
Energy: 0.5716975680125782
Energy: 0.4498272312084345
Energy: 0.8957345827274363
Energy: 0.4498272312084345
Energy: 0.6970350143663935
Energy: 0.4501162125183435
Energy: 0.8887175076858664
Energy: 0.45011621251909956
Energy: 0.5745687303288276
Energy: 0.4983189338851226
Energy: 0.7937562135646083
Energy: 0.4983189338843665
Energy: 0.7922870605956934
Energy: 0.49608300469651545
Energy: 0.6940463176498203
Energy: 0.49608300469575933
Energy: 0.7916700862257855
Energy: 0.49600425550154265
Energy: 0.6926438539852424
Energy: 0.49600425550078664
Energy: 0.8849113059610323
Energy: 0.45126227446195355
Energy: 0.5748491027251857
Energy: 0.45126227446270956
Energy: 0.7919289661424382
Energy: 0.44957771409688824
Energy: 0.4509925715869914
Energy: 0.44957771407647473
Energy: 0.791652451317917
Energy: 0.4505880139255469
Energy: 0.5711075094127908
Energy: 0.4505880139247909
Energy: 0.6976071341800486
Energy: 0.45037613586776165
Energy: 0.4527207836028993
Energy: 0.45037613586776165
Energy: 0.6961764949962178
Energy: 0.4499935506275825
Energy: 0.44945686023437886
Energy: 0.4499935506275825
Energy: 0.8950209371248149
Energy: 0.4499502144639679
Energy: 0.45138473544298036
Energy: 0.44995021446472394

minimum gb energy = 0.44945686023437886 eV
minimum distance =  2.5856046102062 Angstroms
sigma value = 41


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

Energy: 1.159555576935653
Energy: 0.4155458329543135
Energy: 0.5766125021497606
Energy: 0.41554583294997466
Energy: 0.8044789640752497
Energy: 0.4137498451820553
Energy: 0.5134584918145968
Energy: 0.4137498451808157
Energy: 0.9643641706766978
Energy: 0.41309857528014154
Energy: 0.5132763964918685
Energy: 0.41309857528014154
Energy: 0.8056590459819811
Energy: 0.413503153082325
Energy: 0.7120455409279196
Energy: 0.41350315308294483
Energy: 0.8038825133114742
Energy: 0.4128961763285412
Energy: 0.7092818202483093
Energy: 0.4128961763285412
Energy: 0.7996685685409524
Energy: 0.5213085614245159
Energy: 0.7069932437140822
Energy: 0.5213085614238959
Energy: 0.8043343803249811
Energy: 0.4525930770684175
Energy: 0.8042441633827359
Energy: 0.4525930770684175
Energy: 0.7134232148950584
Energy: 0.45526974926343783
Energy: 0.7110275898263005
Energy: 0.45526974926405767
Energy: 0.6135071511057544
Energy: 0.41324418046141825
Energy: 0.8831983633607988
Energy: 0.41324418046017863
Energy: 0.6129038286469294
Energy: 0.41283043812189774
Energy: 0.8042181890567004
Energy: 0.41283043812189774
Energy: 0.5216402569244613
Energy: 0.41457687232718327
Energy: 0.8020676573806483
Energy: 0.41457687232718327
Energy: 0.5150815866030863
Energy: 0.4125816250631129
Energy: 0.8817726636899793
Energy: 0.41258162506249296
Energy: 0.5149592483299008
Energy: 0.4139074424309313
Energy: 0.8811434719129316
Energy: 0.4139074424303115
Energy: 0.4151334744579573
Energy: 0.41356523295689473
Energy: 0.8017407452609541
Energy: 0.41356523295689473
Energy: 0.4123897639364443
Energy: 0.4133534192398056
Energy: 0.805483679363056
Energy: 0.41335341924042546
Energy: 0.41529448278841946
Energy: 0.41289026187276967
Energy: 0.9668553055156256
Energy: 0.41289026187338945
Energy: 0.5169924893699677
Energy: 0.41263469079706866
Energy: 0.9705239790569039
Energy: 0.41263469079644877
Energy: 0.5152891679465332
Energy: 0.4127759606066713
Energy: 0.8027411596809809
Energy: 0.4127759606066713
Energy: 0.5166691020342232
Energy: 0.4140106657096514
Energy: 0.8030707919886025
Energy: 0.4140106657096514
Energy: 0.7076140786927517
Energy: 0.412979745980091
Energy: 0.8008698139487842
Energy: 0.41297974598071086
Energy: 0.7141555478116861
Energy: 0.4136823125336375
Energy: 0.8021442656878348
Energy: 0.4136823125342573
Energy: 0.7089018368298031
Energy: 0.45005273055607437
Energy: 0.804893612712876
Energy: 0.4500527305548347
Energy: 0.8830935921317954
Energy: 0.44997019928967413
Energy: 0.798277092262979
Energy: 0.4499701992890543
Energy: 0.7112277318754281
Energy: 0.4498438362448077
Energy: 0.709152939135567
Energy: 0.4498438362429482
Energy: 0.8802279224679109
Energy: 0.4140419249912252
Energy: 0.6177095630299125
Energy: 0.4140419249943244
Energy: 0.8846476972342195
Energy: 0.41280886870210654
Energy: 0.7074946987000704
Energy: 0.41280886870334615
Energy: 0.8874819373143732
Energy: 0.4140541646513238
Energy: 0.5171607780238376
Energy: 0.414054164650704
Energy: 0.8027781662071515
Energy: 0.4133286696670693
Energy: 0.5154812869145617
Energy: 0.4133286696676892
Energy: 0.8872600954507199
Energy: 0.41260238555675055
Energy: 0.5160912780295821
Energy: 0.41260238555675055
Energy: 0.8850099516313706
Energy: 0.4129121987389885
Energy: 0.4165653012210912
Energy: 0.4129121987389885
Energy: 0.8045373492337297
Energy: 0.41308067405715165
Energy: 0.41274388672806667
Energy: 0.4130806740590112
Energy: 0.8033104745744205
Energy: 0.41343248256325277
Energy: 0.4163783875899354
Energy: 0.41343248256325277

minimum gb energy = 0.4123897639364443 eV
minimum distance =  2.57951553072377 Angstroms
sigma value = 15


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

Energy: 0.9994842148760097
Energy: 0.3859265452136251
Energy: 0.5564624608931007
Energy: 0.38592667084833104
Energy: 0.8778826960982361
Energy: 0.3846647954303619
Energy: 0.46908526217564256
Energy: 0.3846647954277364
Energy: 1.0171573479914569
Energy: 0.38581795895666815
Energy: 0.4683814495714249
Energy: 0.38581795895824333
Energy: 0.8815748163711904
Energy: 0.38638534563087906
Energy: 0.6437741270684771
Energy: 0.3863853456282536
Energy: 0.8770539918285933
Energy: 0.38701871807282257
Energy: 0.6391138279368818
Energy: 0.3870187180822743
Energy: 0.8755400863540479
Energy: 0.38495478899673863
Energy: 0.6363643916690512
Energy: 0.3849547889972637
Energy: 0.721426470215256
Energy: 0.388817176021345
Energy: 0.7973842296948
Energy: 0.3888171760187195
Energy: 0.8017775021337633
Energy: 0.417943832300899
Energy: 0.6412987929738259
Energy: 0.417943832300899
Energy: 0.7198470958077984
Energy: 0.41577456631045356
Energy: 0.796181132470855
Energy: 0.4157745663094033
Energy: 0.7186917634689046
Energy: 0.4208777373948119
Energy: 0.943836734981113
Energy: 0.42087773739586204
Energy: 0.6431905831122983
Energy: 0.38554675725306464
Energy: 0.8052825866703568
Energy: 0.3855467572556901
Energy: 0.5541677704163293
Energy: 0.383965924591572
Energy: 0.9439144427112849
Energy: 0.3839659245821681
Energy: 0.6376552609808461
Energy: 0.38594382708383246
Energy: 0.9450214391850352
Energy: 0.3859438270833073
Energy: 0.47551496871631227
Energy: 0.38666324684529124
Energy: 0.802718601016511
Energy: 0.38666324684476616
Energy: 0.46976923138931287
Energy: 0.38596436808317913
Energy: 0.8772546572323748
Energy: 0.385964368082654
Energy: 0.4725642033129566
Energy: 0.38534708761382985
Energy: 0.9468125918128909
Energy: 0.38534708761382985
Energy: 0.3864306186298705
Energy: 0.38586217263478634
Energy: 0.9508890570692673
Energy: 0.38586217263583655
Energy: 0.3851407532961303
Energy: 0.3839022754295293
Energy: 0.8767466806799911
Energy: 0.3839022754300544
Energy: 0.38685819943636107
Energy: 0.3855346207834377
Energy: 0.8785883522373231
Energy: 0.38553462078448786
Energy: 0.47120649990889474
Energy: 0.38525921766946797
Energy: 0.8815579095900924
Energy: 0.38525921766894294
Energy: 0.4741180877016682
Energy: 0.3853979872156838
Energy: 0.877556105308741
Energy: 0.38539798721778423
Energy: 0.4757914069100366
Energy: 0.3860701419593364
Energy: 0.8802419797224912
Energy: 0.3860701419588113
Energy: 0.6370351555560517
Energy: 0.3870470466241578
Energy: 0.8738839438527986
Energy: 0.3870470466241578
Energy: 0.6389738192243695
Energy: 0.38404485384801174
Energy: 0.9430127221611984
Energy: 0.3840448538474866
Energy: 0.6426056816281351
Energy: 0.38434165771103124
Energy: 0.7252086220376823
Energy: 0.38434165771208134
Energy: 0.7975378520966246
Energy: 0.4195615171646577
Energy: 0.8775140619962927
Energy: 0.4195615171646577
Energy: 0.6381593925017092
Energy: 0.41589747782159253
Energy: 0.7969671458871732
Energy: 0.4158974778210675
Energy: 0.8006179816209097
Energy: 0.41779388413634655
Energy: 0.7239479938941171
Energy: 0.41779388413424623
Energy: 0.7993133228109612
Energy: 0.38798403998442904
Energy: 0.797479444872688
Energy: 0.38798403998390396
Energy: 0.7973841452022442
Energy: 0.3845736984190515
Energy: 0.6375989826193084
Energy: 0.3845736984117002
Energy: 0.8768234675546958
Energy: 0.386017848394188
Energy: 0.5542802958231806
Energy: 0.38601784840048914
Energy: 0.801636685477243
Energy: 0.3865483940671822
Energy: 0.6438423185821822
Energy: 0.38654839406823244
Energy: 0.9464651315772021
Energy: 0.3834203669448836
Energy: 0.4686854426910881
Energy: 0.3834203669443585
Energy: 0.8786239325240414
Energy: 0.38543946214558067
Energy: 0.469393597045947
Energy: 0.3854394621450556
Energy: 0.8750267753555023
Energy: 0.3860466782583022
Energy: 0.392032719820958
Energy: 0.38604667825620176
Energy: 0.9430719481431512
Energy: 0.3846240003706138
Energy: 0.38431435454155205
Energy: 0.3846240003695636
Energy: 1.0152985141154667
Energy: 0.3850334128307616
Energy: 0.38470274345440025
Energy: 0.38503341282761094

minimum gb energy = 0.3834203669443585 eV
minimum distance =  2.5769064546815 Angstroms
sigma value = 85


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

Energy: 1.0699812608844148
Energy: 0.3442909556010667
Energy: 0.3439354870530992
Energy: 0.34429095555691214
Energy: 0.9182392331722697
Energy: 0.341944413746074
Energy: 0.41793973798861184
Energy: 0.341944413746074
Energy: 0.9164911764551095
Energy: 0.34232272088807264
Energy: 0.41743626385317834
Energy: 0.3423227208876172
Energy: 0.7773638840205604
Energy: 0.34196133665384426
Energy: 0.56631311196071
Energy: 0.34196133665429973
Energy: 0.9174053216259683
Energy: 0.3418319762713253
Energy: 0.5677000550245321
Energy: 0.34183197627041434
Energy: 0.7788119020777902
Energy: 0.3421250817633585
Energy: 0.5668356557963544
Energy: 0.3421250817638139
Energy: 0.782302905691234
Energy: 0.34201193742389135
Energy: 0.7125774708503786
Energy: 0.34201193742343594
Energy: 0.8512438714370459
Energy: 0.34311389695378325
Energy: 0.5679704557976242
Energy: 0.34311389695378325
Energy: 0.7814779698346541
Energy: 0.3421261871466351
Energy: 0.7091791512497132
Energy: 0.34212618714800136
Energy: 0.7803700501497611
Energy: 0.3970338216118994
Energy: 0.8465646675102032
Energy: 0.39703382161235484
Energy: 0.7095186290240557
Energy: 0.3430686020683225
Energy: 0.7089365693701372
Energy: 0.34306860212067447
Energy: 0.6415191468279009
Energy: 0.3423987670637213
Energy: 0.8470028712598601
Energy: 0.34239876706508754
Energy: 0.7090022452457053
Energy: 0.34202863971905273
Energy: 0.8476619643614269
Energy: 0.3420286397199635
Energy: 0.5669021659440203
Energy: 0.34268881041648386
Energy: 0.708240351676834
Energy: 0.3426888104155731
Energy: 0.49215225907236776
Energy: 0.3417723565281978
Energy: 0.9171526875954088
Energy: 0.3417723565277424
Energy: 0.5692367103870024
Energy: 0.3426367471415107
Energy: 0.8491019205684475
Energy: 0.3426367471415107
Energy: 0.41833220489149586
Energy: 0.34196596547556657
Energy: 0.846683523746429
Energy: 0.34196596547556657
Energy: 0.42002796632631906
Energy: 0.3422545720196978
Energy: 0.9170094197901585
Energy: 0.3422545720206087
Energy: 0.41802270319438045
Energy: 0.34163453651265374
Energy: 0.9158521761275459
Energy: 0.34163453651219833
Energy: 0.34233124305812995
Energy: 0.3436251818306421
Energy: 0.9157249419140944
Energy: 0.3436251818301867
Energy: 0.34103637737869674
Energy: 0.3424038643218918
Energy: 0.9174446972267124
Energy: 0.3424038643223472
Energy: 0.34268965344967584
Energy: 0.3442070668715049
Energy: 0.915280707809997
Energy: 0.3442070668719603
Energy: 0.4195834777061319
Energy: 0.34308895363165043
Energy: 0.9166905618198052
Energy: 0.34308895363073966
Energy: 0.41817400449270464
Energy: 0.341867263168111
Energy: 0.9178020262710637
Energy: 0.341867263168111
Energy: 0.41837335078471916
Energy: 0.34311786989685744
Energy: 0.7771575010083659
Energy: 0.3431178698995899
Energy: 0.5662545064774319
Energy: 0.3418993427457463
Energy: 0.9188826283871271
Energy: 0.3418993427448354
Energy: 0.5671662271397152
Energy: 0.34184371829752896
Energy: 0.9152207976298964
Energy: 0.34184371829752896
Energy: 0.645748027114873
Energy: 0.34143658177210495
Energy: 0.7775088117307771
Energy: 0.3414365817716495
Energy: 0.7122165934069464
Energy: 0.3419910300530117
Energy: 0.9188537056563415
Energy: 0.3419910300530117
Energy: 0.7100055152113367
Energy: 0.3421971013569296
Energy: 0.7786438174584674
Energy: 0.3421971013541971
Energy: 0.8486291418219488
Energy: 0.39788351963358437
Energy: 0.6421065752688664
Energy: 0.3978835196003392
Energy: 0.7143896657303229
Energy: 0.3976570479343777
Energy: 0.7834750780336606
Energy: 0.3976570479343777
Energy: 0.8477288488296278
Energy: 0.3420656746466125
Energy: 0.6393979561366051
Energy: 0.34206567464570176
Energy: 0.9190381556256223
Energy: 0.34180624408804544
Energy: 0.6406138595194993
Energy: 0.34180624408759
Energy: 0.7082356771941385
Energy: 0.34154724496082595
Energy: 0.5681404096662898
Energy: 0.3415472449603706
Energy: 0.9778316366717801
Energy: 0.34182646293245594
Energy: 0.5673963313484437
Energy: 0.34182646293200053
Energy: 0.9781995206734502
Energy: 0.34213845271135007
Energy: 0.5666308247154742
Energy: 0.34213845271089466
Energy: 0.8467102994123532
Energy: 0.34284242882301563
Energy: 0.41866572274117336
Energy: 0.3428424288239264
Energy: 0.9178206886197496
Energy: 0.34182396864567854
Energy: 0.4180079060305278
Energy: 0.34182396864567854
Energy: 0.9160499053555802
Energy: 0.3437411600978942
Energy: 0.42036820522209056
Energy: 0.3437411600978942
Energy: 0.8467512218760234
Energy: 0.3430355266368818
Energy: 0.34261655288947085
Energy: 0.3430355266368818
Energy: 0.917300727879584
Energy: 0.3423662028204122
Energy: 0.3419758613245635
Energy: 0.3423662028199568
Energy: 0.915198763689537
Energy: 0.3438877082032394
Energy: 0.3439953563671384
Energy: 0.34388770820278397

minimum gb energy = 0.34103637737869674 eV
minimum distance =  2.57704859828405 Angstroms
sigma value = 113


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

Energy: 0.013519841310641021
Energy: 0.2815582739755334
Energy: 0.8076706527405684
Energy: 0.2815582739755334
Energy: 0.6111502217729501
Energy: 0.07696505559353892
Energy: 0.6068668283684086
Energy: 0.0769650555942391
Energy: 0.014097944493462836
Energy: 0.07559744928151443
Energy: 0.6081259160413282
Energy: 0.07559744928151443
Energy: 0.01496583830814446
Energy: 0.08100016538203107
Energy: 0.6108060593401229
Energy: 0.08100016538238117
Energy: 0.6164645065602598
Energy: 0.07987696169591604
Energy: 0.6091236166599069
Energy: 0.07987696169659679
Energy: 0.013974321985802823
Energy: 0.07556414692059057
Energy: 0.6079041296270982
Energy: 0.07556414692197153

minimum gb energy = 0.013519841310641021 eV
minimum distance =  2.83745674685565 Angstroms
sigma value = 1