Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.620000052452088
cohesive_energy=3.5402783780697282
mass=63.546
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=[2.2894463229206397e-19, 2.31359112479502e-19, 2.8343786396767197e-19, 3.5391601192069794e-19, 4.1614775673852596e-19, 4.492855760595479e-19, 4.62119010897888e-19, 4.706906558897879e-19, 4.7931997924051195e-19, 4.87808311047444e-19, 4.96823758966962e-19, 5.062605793412219e-19, 5.15751873721038e-19, 5.24908313184348e-19, 5.33362999281966e-19, 5.408756055187919e-19, 5.47346796943518e-19, 5.527974018523859e-19, 5.57304324723828e-19, 5.60942867859642e-19, 5.63740268262606e-19, 5.65691719402818e-19, 5.668116408699839e-19, 5.67170528436e-19, 5.66814845223252e-19, 5.657894521774919e-19, 5.6417445813042e-19, 5.62025939264226e-19, 5.59201301858484e-19, 5.55131773208124e-19, 5.4890251045513195e-19, 5.396066816246639e-19, 5.26598609533218e-19, 5.0940404989713e-19, 4.87547156256102e-19, 4.604911994377439e-19, 4.2753122172309596e-19, 3.8725890985087196e-19, 3.3736712946811197e-19, 2.75827524956172e-19, 2.0641963099465799e-19, 1.359092792912886e-19, 5.43669801568488e-20, -6.71411344597308e-20, -2.0328417132191997e-19, -2.76058238391468e-19, -4.7799337698756e-20, 1.3162682136627e-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: 0.013617062097992448
Energy: 0.09886404365556736
Energy: 0.45058716371505325
Energy: 0.09886404365497663
Energy: 0.09886404365556736
Energy: 0.45191457522036566
Energy: 0.09886404365497663
Energy: 0.45191457521240813
Energy: 0.4505871637168602
Energy: 0.09886404365556736
Energy: 0.013617062097992448
Energy: 0.013886583257096859
Energy: 0.09886404365497663
Energy: 0.451914575208134
Energy: 0.013886583256506123
Energy: 0.4519145752160915

minimum gb energy = 0.013617062097992448 eV
minimum distance =  2.47968052467848 Angstroms
sigma value = 1


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

Energy: 0.8412503300316909
Energy: 0.8043464683353528
Energy: 0.8041225626647233
Energy: 0.8043464683353528
Energy: 0.719517492284314
Energy: 0.7958548771086023
Energy: 0.7202713600131182
Energy: 0.7958548771086023
Energy: 0.8057562370019697
Energy: 0.8022178151011243
Energy: 0.8487126873239833
Energy: 0.8022178151018828
Energy: 0.7220828107077921
Energy: 0.7215181999243665
Energy: 0.720826095887027
Energy: 0.7215181999243665
Energy: 0.8505584728820208
Energy: 0.7208312130336431
Energy: 0.721389744142205
Energy: 0.7208312130344016
Energy: 0.7657505826574642
Energy: 0.7214986744082751
Energy: 0.7199342103373497
Energy: 0.7214986744075166
Energy: 0.7467382270734071
Energy: 0.778111777184479
Energy: 0.7644855537633368
Energy: 0.7781117771829618
Energy: 0.7674067995388401
Energy: 0.8932202074320116
Energy: 0.8031158012865248
Energy: 0.893220207431253
Energy: 0.8158824024294516
Energy: 0.8261898256392962
Energy: 0.8143095435740335
Energy: 0.8261898256400548
Energy: 0.8002379598707086
Energy: 0.8734870467125612
Energy: 0.8039906647184601
Energy: 0.8734870467140783
Energy: 0.8570990191797705
Energy: 0.8251862133990402
Energy: 0.8154659251641934
Energy: 0.8251862133990402
Energy: 0.7662160802767846
Energy: 0.8931121198177714
Energy: 0.8026242696065334
Energy: 0.8931121198177714
Energy: 0.7458088161444675
Energy: 0.7768468442760741
Energy: 0.717111568928544
Energy: 0.7768468442753156
Energy: 0.7657223728527995
Energy: 0.8337108312437013
Energy: 0.7603957069928302
Energy: 0.8337108312861818
Energy: 0.7161390368862801
Energy: 0.7200501554507543
Energy: 0.7211262139988502
Energy: 0.7200501554492372
Energy: 0.7621707460313585
Energy: 0.7220880613867845
Energy: 0.7199446846594361
Energy: 0.7220880613754057
Energy: 0.7991659390822908
Energy: 0.726992608714296
Energy: 0.7197341818234448
Energy: 0.7269926087135373
Energy: 0.7199602092019249
Energy: 0.8790767258068286
Energy: 0.7180212236866675
Energy: 0.8790767258060701
Energy: 0.7195386643125847
Energy: 0.8002930674593828
Energy: 0.7989496568235003
Energy: 0.8002930674631757
Energy: 0.7626241789355427
Energy: 0.795649629669994
Energy: 0.7220423531856298
Energy: 0.7956496296684767
Energy: 0.7238687074913605
Energy: 0.720133255244016
Energy: 0.9232667229549545
Energy: 0.7201332552447746
Energy: 0.7200508572895817
Energy: 0.7198902016576786
Energy: 0.7651377696555258
Energy: 0.7198902016523684
Energy: 0.7636685781735941
Energy: 0.7787547405325024
Energy: 0.7452526450477759
Energy: 0.7787547405325024
Energy: 0.8033683267224574
Energy: 0.8957618025476229
Energy: 0.7642287623286245
Energy: 0.8957618025476229
Energy: 0.795010283894618
Energy: 0.8279485605555216
Energy: 0.8167396572530412
Energy: 0.8279485605562801
Energy: 0.8028725222568257
Energy: 0.8762690064941814
Energy: 0.8006091600496095
Energy: 0.8762690064949401
Energy: 0.815634519962407
Energy: 0.8276456498619743
Energy: 0.8555669673723338
Energy: 0.8276456498634914
Energy: 0.8030293550950343
Energy: 0.8525012717598807
Energy: 0.7655250966495316
Energy: 0.8525012717598807
Energy: 0.7177557580033016
Energy: 0.7772493588015994
Energy: 0.7427300161527134
Energy: 0.7772493588008409
Energy: 0.7162909643273467
Energy: 0.8322919585783848
Energy: 0.7658986790870901
Energy: 0.8322919585776263
Energy: 0.7189628260055383
Energy: 0.7196082285478208
Energy: 0.7161988112701618
Energy: 0.7196082285478208
Energy: 0.719100311305885
Energy: 0.7196382869047868
Energy: 0.7203814157892648
Energy: 0.7196382869047868
Energy: 0.7206319117308327
Energy: 0.7265715265271547
Energy: 0.7975280642789013
Energy: 0.7265715265263961

minimum gb energy = 0.7161390368862801 eV
minimum distance =  2.32670380209347 Angstroms
sigma value = 1


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

Energy: 0.8883144184926405
Energy: 0.8424551822398106
Energy: 0.840917896019893
Energy: 0.8424551822389458
Energy: 0.7507232071079529
Energy: 0.8269624413745669
Energy: 0.7475003576224748
Energy: 0.8269624413737021
Energy: 0.8387585795966807
Energy: 0.8411568326846653
Energy: 0.8820169452464259
Energy: 0.8411568326846653
Energy: 0.7518565261126003
Energy: 0.8294374967358914
Energy: 0.7497271830551735
Energy: 0.8294374967358914
Energy: 0.7477781026798866
Energy: 0.7498902359948608
Energy: 0.7487288562693651
Energy: 0.7498902359965907
Energy: 0.7989964439928612
Energy: 0.7499578305277679
Energy: 0.7485511338918551
Energy: 0.749957830526903
Energy: 0.7864469161859352
Energy: 0.818637147381131
Energy: 0.882138975443737
Energy: 0.8186371473828608
Energy: 0.8012571100887461
Energy: 0.9056558577545573
Energy: 0.8503848148920695
Energy: 0.9056558577606116
Energy: 0.8075283304403421
Energy: 0.8672171853357793
Energy: 0.8176243898710601
Energy: 0.8672171853357793
Energy: 0.8528214058401813
Energy: 0.9055155708781099
Energy: 0.8004822892799872
Energy: 0.9055155708815696
Energy: 0.9390456677086364
Energy: 0.8197653977029106
Energy: 0.7861832305527489
Energy: 0.8197653977003159
Energy: 0.7485603757163145
Energy: 0.8571404795908046
Energy: 0.8010757382058383
Energy: 0.8571404795847897
Energy: 0.7513773103592294
Energy: 0.7489535618942337
Energy: 0.748189311503972
Energy: 0.7489535618925038
Energy: 0.7486659165887263
Energy: 0.8964941650557834
Energy: 0.7452904800527033
Energy: 0.8964941650583782
Energy: 0.7459807341906096
Energy: 0.7569227314631142
Energy: 0.8360266416124457
Energy: 0.7569227314622491
Energy: 0.7506848600994137
Energy: 0.827927039845232
Energy: 0.7491662559331755
Energy: 0.8279270398426372
Energy: 0.836150139132917
Energy: 0.8390797386457897
Energy: 0.747381371974499
Energy: 0.8390797386570336
Energy: 0.7520996735241273
Energy: 0.8270177094655609
Energy: 0.7986989894420546
Energy: 0.827017709464696
Energy: 0.7486862055842898
Energy: 0.7506450973550475
Energy: 0.7486095762865456
Energy: 0.7506450973576422
Energy: 0.8001763306532278
Energy: 0.7482328286217433
Energy: 0.7486256323895141
Energy: 0.748232828626068
Energy: 0.7865256497676408
Energy: 0.8227651644834381
Energy: 0.8044065014801348
Energy: 0.8227651644877626
Energy: 0.7995172679616986
Energy: 0.8070507653816174
Energy: 0.8006561188513596
Energy: 0.8070507653945911
Energy: 0.8071926456422931
Energy: 0.8699679382214129
Energy: 0.8180251727074683
Energy: 0.8699679382179533
Energy: 0.8517070526014808
Energy: 0.864025816071434
Energy: 0.8006493268283382
Energy: 0.8640258160748936
Energy: 0.7503679026529324
Energy: 0.8186198183788863
Energy: 0.78622520613129
Energy: 0.8186198183788863
Energy: 0.7486718529735096
Energy: 0.8518533098032017
Energy: 0.8012614349039324
Energy: 0.851853309801472
Energy: 0.7485404623315103
Energy: 0.748831211134993
Energy: 0.7485630034299129
Energy: 0.7488312111280737
Energy: 0.7484340185769588
Energy: 0.7480935692707557
Energy: 0.7452020438694883
Energy: 0.7480935692672961
Energy: 0.7461486683368055
Energy: 0.7573882934937856
Energy: 0.8355364729501493
Energy: 0.7573882934963803

minimum gb energy = 0.7452020438694883 eV
minimum distance =  2.32670649263313 Angstroms
sigma value = 25


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

Energy: 0.9161764932367036
Energy: 0.8814238647093459
Energy: 0.8816209556307522
Energy: 0.8814238647093459
Energy: 0.7845095876588226
Energy: 0.857470793843962
Energy: 0.7812699066668936
Energy: 0.857470793843962
Energy: 0.8789869419926045
Energy: 0.8809051715908276
Energy: 0.8779216721832778
Energy: 0.8809051715898222
Energy: 0.7847440809545533
Energy: 0.8578929165850939
Energy: 0.7801462904114008
Energy: 0.8578929165850939
Energy: 0.77688823523423
Energy: 0.7803829951020934
Energy: 0.7798612353069294
Energy: 0.7803829951010879
Energy: 0.8098244374858812
Energy: 0.7805857553039455
Energy: 0.7797454522005884
Energy: 0.7805857552767986
Energy: 0.8363222918068168
Energy: 0.8686922550035204
Energy: 0.8377470098132036
Energy: 0.8686922550035204
Energy: 0.8088296776552564
Energy: 0.9237790387035154
Energy: 0.7922197194359984
Energy: 0.923779038704521
Energy: 0.8382529167076255
Energy: 0.8678861661584697
Energy: 0.886937848670563
Energy: 0.867886166159475
Energy: 0.8095087875593027
Energy: 0.8799536166379649
Energy: 0.7797482310953109
Energy: 0.8799536166379649
Energy: 0.7699892644856533
Energy: 0.7801269973443178
Energy: 0.7792780563732691
Energy: 0.7801269973443178
Energy: 0.7687080347024455
Energy: 0.7841357037440377
Energy: 0.7793584837525989
Energy: 0.7841357037440377
Energy: 0.8770718329899402
Energy: 0.7936073551212257
Energy: 0.7677678501347067
Energy: 0.7936073551212257
Energy: 0.7786552914915323
Energy: 0.913717511341458
Energy: 0.7858974936280725
Energy: 0.913717511341458
Energy: 0.7753803093238356
Energy: 0.87716136592281
Energy: 0.8781360528062689
Energy: 0.8771613659238156
Energy: 0.8065993501779528
Energy: 0.8574626978215897
Energy: 0.783188862110661
Energy: 0.8574626978195787
Energy: 0.7795251931064963
Energy: 0.7809533502270309
Energy: 0.7768520081616662
Energy: 0.7809533502270309
Energy: 0.7799608343621851
Energy: 0.7808144001037572
Energy: 0.8104836919414589
Energy: 0.7808144001037572
Energy: 0.8395229081831853
Energy: 0.8699128979085389
Energy: 0.8102377272025973
Energy: 0.8699128979085389
Energy: 0.792372702562269
Energy: 0.8449501061130631
Energy: 0.8116229526830095
Energy: 0.8449501061120577
Energy: 0.884215581929726
Energy: 0.8684171928418107
Energy: 0.8386245883028093
Energy: 0.8684171928418107
Energy: 0.7859548501945322
Energy: 0.8776814852086375
Energy: 0.809142186563825
Energy: 0.8776814852076321
Energy: 0.7796346686619952
Energy: 0.779441992237278
Energy: 0.7698161771850789
Energy: 0.7794419922352671
Energy: 0.7788024425072653
Energy: 0.7846325600692788
Energy: 0.7690943811749764
Energy: 0.7846325600692788
Energy: 0.767390110264523
Energy: 0.7840482109582201
Energy: 0.8763774058136988
Energy: 0.7840482109582201

minimum gb energy = 0.767390110264523 eV
minimum distance =  2.32931707304673 Angstroms
sigma value = 9


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

Energy: 0.9256534363676892
Energy: 0.9208091680118486
Energy: 0.9205029360150806
Energy: 0.9208091680082505
Energy: 0.8225147533391851
Energy: 0.8808132658339561
Energy: 0.830479266506158
Energy: 0.8808132658315575
Energy: 0.9149861372710885
Energy: 0.9187426802731083
Energy: 1.3861542215016809
Energy: 0.9187426802731083
Energy: 0.8120062771465337
Energy: 0.8816882483056471
Energy: 0.830019512548168
Energy: 0.8816882483104447
Energy: 0.8265111370462823
Energy: 0.8100356108416401
Energy: 0.8116945531132699
Energy: 0.810035610844039
Energy: 0.8108825650153286
Energy: 0.8103919185022769
Energy: 0.8105634401565877
Energy: 0.8103919185058751
Energy: 0.8252505883933801
Energy: 0.9282134546280015
Energy: 0.8303390830983626
Energy: 0.9282134546268022
Energy: 0.8279228010630506
Energy: 0.9141863359446447
Energy: 0.8105157815729558
Energy: 0.9141863359434452
Energy: 0.8094932280185683
Energy: 0.810053761178255
Energy: 0.785252004669659
Energy: 0.8100537611794545
Energy: 0.8309063482819561
Energy: 0.8175293606956301
Energy: 0.7848838063908522
Energy: 0.8175293606992284
Energy: 0.7823281773931104
Energy: 0.8148097720241927
Energy: 0.918370290351066
Energy: 0.8148097720217939
Energy: 0.8261949126580649
Energy: 0.8804594344460583
Energy: 0.8297759939316947
Energy: 0.8804594344460583
Energy: 0.9172470716449102
Energy: 0.9177755283662897
Energy: 0.9210548316313273
Energy: 0.9177755283615192
Energy: 0.8133794299407331
Energy: 0.8813663365574746
Energy: 0.8228551110019061
Energy: 0.8813663365550758
Energy: 0.825941993207679
Energy: 0.8120774495600244
Energy: 0.8107921736979458
Energy: 0.8120774495600244
Energy: 0.8113139698021604
Energy: 0.8112987807208253
Energy: 0.80990433967189
Energy: 0.8112987807232243
Energy: 0.8276236628166194
Energy: 0.9269745264492619
Energy: 0.8306573218804462
Energy: 0.926974526445691
Energy: 0.8281461998808537
Energy: 0.9150952231780642
Energy: 0.83078455329371
Energy: 0.9150952231780642
Energy: 0.8080935395068825
Energy: 0.8116078015456376
Energy: 0.7848004876154626
Energy: 0.8116078015432389
Energy: 0.8314559765430383
Energy: 0.8160552220827244
Energy: 0.7850477404562233
Energy: 0.8160552220827244
Energy: 0.782217222221991
Energy: 0.8154597270122127
Energy: 0.9180036283641241
Energy: 0.8154597270146116

minimum gb energy = 0.782217222221991 eV
minimum distance =  2.33497991677483 Angstroms
sigma value = 25


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

Energy: 0.8895404267410243
Energy: 0.9477953498593155
Energy: 0.9472067449161261
Energy: 0.9477953498607988
Energy: 0.786308084082664
Energy: 0.8557272195138159
Energy: 0.8051892862411014
Energy: 0.8557272195152992
Energy: 0.944472468243119
Energy: 0.9542742116923004
Energy: 0.9450746005665152
Energy: 0.9542742116923004
Energy: 0.7899363231254455
Energy: 0.8562942108754745
Energy: 0.8052758470468888
Energy: 0.8562942108739912
Energy: 0.83654426544878
Energy: 0.8937714468819795
Energy: 0.8184905468648889
Energy: 0.8937714468819795
Energy: 0.7889046364830571
Energy: 0.8045908829028646
Energy: 0.8018936512018524
Energy: 0.8045908829013813
Energy: 0.7878506828107812
Energy: 0.893845404719998
Energy: 0.8073586280967527
Energy: 0.893845404719998
Energy: 0.7869361296027667
Energy: 0.8597933084591329
Energy: 0.8068787391557278
Energy: 0.8597933084546829
Energy: 0.9480239577461635
Energy: 0.9499462512137894
Energy: 1.4772148629449386
Energy: 0.9499462512123061
Energy: 0.8054282853486897
Energy: 0.860161961570368
Energy: 0.7883412385593024
Energy: 0.8601619615718513
Energy: 0.9439525884799522
Energy: 0.9523217380708084
Energy: 0.947473057435707
Energy: 0.9523217380722581
Energy: 0.9555458803513208
Energy: 0.8584297659660608
Energy: 0.7879051146345732
Energy: 0.8584297659675441
Energy: 0.8031139378048744
Energy: 0.888736423242335
Energy: 0.8395272037317917
Energy: 0.8887364232438183
Energy: 0.8064046595495383
Energy: 0.8433465029022645
Energy: 0.7909245039948909
Energy: 0.8433465029007814
Energy: 0.8114983828640657
Energy: 0.9041261077576965
Energy: 0.7869007861833826
Energy: 0.9041261077576965
Energy: 0.8037802801844144
Energy: 0.9059200550111072
Energy: 0.7873674597050404
Energy: 0.9059200550111072
Energy: 0.7889174826001412
Energy: 0.9486414198891792
Energy: 0.7892224430951923
Energy: 0.9486414198906625

minimum gb energy = 0.786308084082664 eV
minimum distance =  2.33878701676265 Angstroms
sigma value = 17


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

Energy: 1.5802665599699028
Energy: 1.0486389460047787
Energy: 1.048137779362614
Energy: 1.0486389460056187
Energy: 0.817150832297818
Energy: 0.9001172037073771
Energy: 0.8772465788591657
Energy: 0.9001172037065371
Energy: 0.8732378339688727
Energy: 0.8736155480712817
Energy: 1.05033336308004
Energy: 0.8736155480712817
Energy: 0.878177966342683
Energy: 0.9177073020166538
Energy: 0.8749344639983038
Energy: 0.9177073020174938
Energy: 0.8836151073442966
Energy: 0.9261772894692697
Energy: 0.8390495807402838
Energy: 0.9261772894684297
Energy: 0.8725707823135407
Energy: 0.9214148359578811
Energy: 0.8802935007250079
Energy: 0.921414835957041
Energy: 1.035648343314626
Energy: 0.8769065632099285
Energy: 0.8808273789408684
Energy: 0.8769065632107687
Energy: 0.952752403003318
Energy: 0.898802741902871
Energy: 0.808340937284316
Energy: 0.8988027419020309
Energy: 1.0494558596984835
Energy: 1.046735878618837
Energy: 1.0574736640457776
Energy: 1.0467358786221974
Energy: 1.035130139978349
Energy: 0.9200513827453547
Energy: 0.8775073154121178
Energy: 0.9200513827453547
Energy: 0.8761545566453807
Energy: 0.8090302750104843
Energy: 0.8034577297244153
Energy: 0.8090302750104843
Energy: 0.9546141498871695
Energy: 0.8103302538103064
Energy: 0.8103599473164812
Energy: 0.8103302538111465
Energy: 0.9657305983868277
Energy: 0.809497899763674
Energy: 0.8112816202694788
Energy: 0.8094978997619938
Energy: 1.3382867912811465
Energy: 0.8999828253497419
Energy: 0.8044694643187791
Energy: 0.8999828253497419
Energy: 1.036297850983795
Energy: 0.9202580733389829
Energy: 0.9366129932042689
Energy: 0.9202580733398229
Energy: 1.0513743849913337
Energy: 1.0420107557232186
Energy: 0.9426752665838757
Energy: 1.0420107557232186
Energy: 1.0367426552870764
Energy: 0.898809684985319
Energy: 0.8752653263541561
Energy: 0.8988096849861592
Energy: 1.03643065545157
Energy: 0.8993441340966413
Energy: 0.8742617673673189
Energy: 0.8993441340974813
Energy: 0.8792683035872008
Energy: 0.9223192232732057
Energy: 0.8795619412215055
Energy: 0.9223192232715255
Energy: 0.8664967845903956
Energy: 0.8570576407961104
Energy: 0.8807961090507972
Energy: 0.8570576408053513
Energy: 0.8782692664467158
Energy: 0.8989249343055923
Energy: 0.9462041716735501
Energy: 0.8989249343064322
Energy: 0.8738403369378687
Energy: 0.8750990786812104
Energy: 0.9564601720508545
Energy: 0.8750990786828905
Energy: 0.9608498805367043
Energy: 0.9195739120462659
Energy: 0.9634784993548698
Energy: 0.9195739120445857
Energy: 1.0484442012864617
Energy: 1.0469247514778655
Energy: 1.0463111758385466
Energy: 1.0469247514778655
Energy: 0.8085482361494613
Energy: 0.8992421477364622
Energy: 0.9518195600020554
Energy: 0.8992421477364622
Energy: 0.8228980183804114
Energy: 0.8088846166898673
Energy: 0.876657806844277
Energy: 0.8088846166907074
Energy: 0.8020063872871981
Energy: 0.80733351434832
Energy: 0.9456369492702915
Energy: 0.8073335143474799
Energy: 0.819773526131869
Energy: 0.808900242565241
Energy: 0.9536892651444808
Energy: 0.8089002425870829
Energy: 0.8098928695489787
Energy: 0.8990768632829433
Energy: 0.9564847438176676
Energy: 0.8990768632821035
Energy: 1.5771294315129494
Energy: 1.046762276740292
Energy: 1.0465272683661198
Energy: 1.0467622767419722

minimum gb energy = 0.8020063872871981 eV
minimum distance =  2.31693628155685 Angstroms
sigma value = 53


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

Energy: 1.2231242662081858
Energy: 0.9311374497629847
Energy: 0.9280669112929674
Energy: 0.9311374497571828
Energy: 1.1209209051032296
Energy: 0.7835822981420323
Energy: 0.9335274010052147
Energy: 0.7835822981400983
Energy: 0.928007426123603
Energy: 0.9317004112849028
Energy: 0.9165100276974915
Energy: 0.9317004112887707
Energy: 0.9233352861322173
Energy: 0.7848552319588185
Energy: 0.9332898376985311
Energy: 0.7848552319568847
Energy: 0.9325049454440096
Energy: 0.8141784464833303
Energy: 0.716648001233251
Energy: 0.8141784464852643
Energy: 0.930018265492163
Energy: 0.7890516694513948
Energy: 0.7146205257125745
Energy: 0.7890516694513948
Energy: 1.1101781614754924
Energy: 0.9281888557619068
Energy: 0.9267824676134985
Energy: 0.9281888557619068
Energy: 1.1189720174949978
Energy: 0.7859433311481386
Energy: 0.931191131756526
Energy: 0.7859433311500726
Energy: 0.9246112099463857
Energy: 0.9236794897014395
Energy: 0.917808655320717
Energy: 0.9236794897014395
Energy: 0.9212526595930051
Energy: 0.7845593078938937
Energy: 0.9328387087029466
Energy: 0.7845593078938937
Energy: 0.9301448354463651
Energy: 0.7860963181694268
Energy: 0.7161877749016574
Energy: 0.7860963181674928
Energy: 0.9294217833575946
Energy: 0.784832886877455
Energy: 0.7190466334374256
Energy: 0.7848328868813229
Energy: 1.118357623961703
Energy: 0.7860907811178763
Energy: 0.9296557635474704
Energy: 0.7860907811178763

minimum gb energy = 0.7146205257125745 eV
minimum distance =  2.39671335909083 Angstroms
sigma value = 9


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

Energy: 1.1976642516989309
Energy: 1.0809548126165376
Energy: 1.085323554431967
Energy: 1.0809548126143902
Energy: 0.9286241879555669
Energy: 0.8105145666945656
Energy: 1.0706187601600854
Energy: 0.8105145666924182
Energy: 0.8202732791208628
Energy: 0.8085156402122575
Energy: 1.076116743243914
Energy: 0.8085156401764674
Energy: 0.8079363517642029
Energy: 0.8090496073319413
Energy: 1.1534552009496954
Energy: 0.8090496073297939
Energy: 0.820641563721203
Energy: 0.8133145305260119
Energy: 1.1463298247531044
Energy: 0.8133145305260119
Energy: 0.8181091378798966
Energy: 0.812640703059214
Energy: 1.1468980936290027
Energy: 0.8126407030570666
Energy: 1.0661690864283462
Energy: 1.0571213166076836
Energy: 1.0695675772413467
Energy: 1.057121316606968
Energy: 1.0672237992287612
Energy: 0.8111629617357702
Energy: 1.0631598043028625
Energy: 0.8111629617393492
Energy: 0.8888898234973909
Energy: 0.9399256375510043
Energy: 0.8891650942589062
Energy: 0.9399256375502886
Energy: 0.826496906195372
Energy: 0.9325665195318419
Energy: 1.0565917018861024
Energy: 0.9325665195332733
Energy: 0.8952641360699496
Energy: 0.8630024066102521
Energy: 0.9973870537625106
Energy: 0.8630024066116837
Energy: 0.8986069160769395
Energy: 0.8895560843386399
Energy: 1.1787348087956915
Energy: 0.8895560843400714
Energy: 1.0655648106452085
Energy: 0.86123801599405
Energy: 0.8928088411711845
Energy: 0.8612380159961974
Energy: 1.0697042473893992
Energy: 0.8981595316574995
Energy: 0.9015036293276385
Energy: 0.8981595316567839
Energy: 1.060399268725664
Energy: 0.8655977558494304
Energy: 0.8874422346656853
Energy: 0.8655977557764181
Energy: 0.9714702862653778
Energy: 0.9214963669107173
Energy: 0.8884507910716554
Energy: 0.9214963669085698
Energy: 1.0566539158447885
Energy: 0.8111124582558075
Energy: 0.8987237664697647
Energy: 0.8111124582565232
Energy: 1.082887478596962
Energy: 1.062372063615536
Energy: 1.1803282385678768
Energy: 1.0623720636126726
Energy: 1.0846953576829672
Energy: 0.8099269895548864
Energy: 0.9705318351981153
Energy: 0.8099269895556022
Energy: 1.0796640350690538
Energy: 0.808116982711736
Energy: 0.8222610588729503
Energy: 0.8081169827124518
Energy: 1.0639538898873724
Energy: 0.8091660592312363
Energy: 0.8095748010794088
Energy: 0.8091660592326679
Energy: 1.1434353493518135
Energy: 0.8126568285161967
Energy: 0.8382791966159432
Energy: 0.8126568285169123
Energy: 1.1466120045816564
Energy: 0.8867243201635622
Energy: 0.8153663959879794
Energy: 0.8867243201642779
Energy: 1.0708372857449333
Energy: 1.0584365009951957
Energy: 1.0891061060182385
Energy: 1.0584365009951957
Energy: 1.0589000726382933
Energy: 0.8117442308329909
Energy: 1.0695519026425169
Energy: 0.8117442308329909
Energy: 0.8882342743786361
Energy: 0.9412277470423818
Energy: 0.8907589258242941
Energy: 0.9412277470445292
Energy: 1.0574217534848074
Energy: 0.9334088588340008
Energy: 0.8275335411893053
Energy: 0.9334088588347166
Energy: 0.9986379109864055
Energy: 0.8624186368195085
Energy: 0.8924508053578392
Energy: 0.8624186368202242
Energy: 1.1788443861279974
Energy: 0.8906298113827489
Energy: 0.8946860071234518
Energy: 0.8906298113841805
Energy: 0.8916348685857896
Energy: 0.8616364418315043
Energy: 1.0678678434008912
Energy: 0.8616364418322201
Energy: 0.9028413110669314
Energy: 0.8881107868492712
Energy: 1.073154404274316
Energy: 0.8881107868478396
Energy: 0.8875431212132415
Energy: 0.8624895340188655
Energy: 1.0645765729108205
Energy: 0.8624895340167182
Energy: 0.8907966989452056
Energy: 0.9261123917137979
Energy: 0.9688361618763264
Energy: 0.9261123917123661
Energy: 0.8906250106909674
Energy: 0.8118475503094578
Energy: 0.9642574447309509
Energy: 0.8118475503409531
Energy: 1.1786155324464958
Energy: 1.058808242732735
Energy: 1.0784741890459113
Energy: 1.0588082427262926

minimum gb energy = 0.8079363517642029 eV
minimum distance =  2.33362810846928 Angstroms
sigma value = 73


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

Energy: 1.1348583450274388
Energy: 0.9960623533687298
Energy: 1.0191000621302848
Energy: 0.9960623533710012
Energy: 0.8942819725331613
Energy: 0.8217906687198816
Energy: 0.9814697214545045
Energy: 0.821790668718746
Energy: 0.8354164647583185
Energy: 0.8175722171429163
Energy: 0.9619542037285694
Energy: 0.8175722171531116
Energy: 0.8136001861974728
Energy: 0.8235685735023837
Energy: 1.1189492807649195
Energy: 0.8235685735023837
Energy: 0.8312035336283992
Energy: 0.8247430198235881
Energy: 1.1148301180211204
Energy: 0.8247430198224525
Energy: 0.8193864190010497
Energy: 0.824323313252081
Energy: 1.1083786488036294
Energy: 0.8243233132509454
Energy: 0.9678495489570147
Energy: 0.9727362737071306
Energy: 0.9732149030429625
Energy: 0.9727362737094019
Energy: 0.9725700512569718
Energy: 0.8944398837582725
Energy: 0.9819081688298191
Energy: 0.8944398837594083
Energy: 0.9677388782507403
Energy: 0.8927724608763202
Energy: 0.9716196343546672
Energy: 0.8927724608763202
Energy: 0.8210994691780157
Energy: 0.89365047611423
Energy: 0.966171828228367
Energy: 0.89365047611423
Energy: 0.9711085774282482
Energy: 0.8231151089897942
Energy: 0.9666332300783634
Energy: 0.8231151089875228
Energy: 0.9778521534290899
Energy: 0.9791382117350014
Energy: 1.114867109061455
Energy: 0.9791382117350014
Energy: 0.9605309810400465
Energy: 0.8206421570518228
Energy: 0.8188131271821183
Energy: 0.8206421570529584
Energy: 0.9612755074506073
Energy: 0.8327764691403288
Energy: 0.8309592711384994
Energy: 0.8327764691403288
Energy: 1.119279854733737
Energy: 0.825749554927552
Energy: 0.8127592556567439
Energy: 0.8257495549400444
Energy: 1.5090585540086805
Energy: 0.8192621032737017
Energy: 0.8326743922013514
Energy: 0.8192621032737017
Energy: 1.1085938772667367
Energy: 0.8205859965089235
Energy: 0.9754938899630896
Energy: 0.8205859965021095
Energy: 1.0217000085176504
Energy: 0.976689765492123
Energy: 0.9690636714940027
Energy: 0.976689765492123
Energy: 0.9684353695711401
Energy: 0.8211250459607105
Energy: 0.9783936377604675
Energy: 0.8211250459618203
Energy: 1.1663903208594208
Energy: 0.8960901066188741
Energy: 1.1658200634420428
Energy: 0.8960901066177385
Energy: 0.9708244922024575
Energy: 0.8943952400637022
Energy: 0.8113770041884882
Energy: 0.8943952400637022
Energy: 1.1095664561521745
Energy: 0.9709275709308081
Energy: 0.9823576402361314
Energy: 0.9709275709330795

minimum gb energy = 0.8113770041884882 eV
minimum distance =  2.28778995972785 Angstroms
sigma value = 7


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

Energy: 1.5477916761063342
Energy: 1.009796090606193
Energy: 1.0306912630976606
Energy: 1.009796090611011
Energy: 0.8972582412887282
Energy: 0.8458466725081977
Energy: 1.0909665822269259
Energy: 0.8458466724994006
Energy: 0.8539876525766076
Energy: 0.8423806358556634
Energy: 0.9682148847684664
Energy: 0.842380635849239
Energy: 0.8402262222291297
Energy: 0.9051642073567295
Energy: 1.0871591311026823
Energy: 0.9051642073567295
Energy: 0.8711233416335257
Energy: 0.845516984660467
Energy: 1.0658604715160238
Energy: 0.8455169846580579
Energy: 0.856152803836333
Energy: 0.8443875266081258
Energy: 1.065464092182903
Energy: 0.8443875266065197
Energy: 0.9835633924067999
Energy: 0.9425589126647761
Energy: 0.8477649168253272
Energy: 0.9425589126639731
Energy: 1.089590553145145
Energy: 0.8451242923196542
Energy: 0.8692657414814015
Energy: 0.845124292317245
Energy: 1.0889141726878169
Energy: 0.8433817373903044
Energy: 0.8425685074340886
Energy: 0.8433817373855227
Energy: 1.3477637218542486
Energy: 0.8998302356153461
Energy: 0.8445403678518719
Energy: 0.8998302356033004
Energy: 1.0883309954176283
Energy: 0.845593892486872
Energy: 0.9703872839134638
Energy: 0.8455938924892811
Energy: 0.9820940318512439
Energy: 0.9703901614631627
Energy: 0.9813774001907699
Energy: 0.9703901614599504
Energy: 0.963343483055742
Energy: 0.8433602683994713
Energy: 0.9696699534150418
Energy: 0.8433602683561431
Energy: 1.1028665566258102
Energy: 0.9094505805806832
Energy: 0.8513933184547059
Energy: 0.909450580584662
Energy: 0.9702906849355304
Energy: 0.8440335369466899
Energy: 0.8513584058664739
Energy: 0.8440335369892153
Energy: 1.1032399061628717
Energy: 0.9692107472267053
Energy: 0.9837575283540705
Energy: 0.9692107472379481
Energy: 0.9882909299996475
Energy: 0.8456781010544033
Energy: 1.0879344787908913
Energy: 0.8456781010584187
Energy: 0.8426883031460259
Energy: 0.9010764085933185
Energy: 0.9653603008414449
Energy: 0.9010764085981368
Energy: 0.8417597611618396
Energy: 0.844601092220444
Energy: 1.0879908522860455
Energy: 0.8446010922244592
Energy: 0.8688448391489798
Energy: 0.9580334667028998
Energy: 1.099976437172444
Energy: 0.9580334667084847
Energy: 0.8475813259319278
Energy: 0.9517001725240495
Energy: 1.068415296575125
Energy: 0.9517001725208372
Energy: 1.0927723970338212
Energy: 0.9232577327924476
Energy: 0.8553990321285024
Energy: 0.9232577327940538
Energy: 1.0904012063966118
Energy: 0.8458310280748524
Energy: 0.8711406249622897
Energy: 0.8458310280732463
Energy: 1.0874840587101693
Energy: 0.9050373112384854
Energy: 0.8408104112529087
Energy: 0.9050373112344702
Energy: 1.0740854640087056
Energy: 0.8424386451735086
Energy: 0.8540670070729213
Energy: 0.8424386451767207
Energy: 1.069353939420599
Energy: 0.8448183950552405
Energy: 0.8812278004111116
Energy: 0.8448183950592558
Energy: 1.0161538279074362
Energy: 1.018432197903274
Energy: 1.4272244779682677
Energy: 1.0184321978952435
Energy: 0.9660972072628042
Energy: 0.8446232325510502
Energy: 0.9850693150084973
Energy: 0.8446232325478379
Energy: 0.9647276045536137
Energy: 0.9155815574375629
Energy: 0.964854597675868
Energy: 0.9155815574327446
Energy: 0.983475139025082
Energy: 0.9782347638775771
Energy: 0.8513148588798454
Energy: 0.9782347638711526
Energy: 1.1024760286257527
Energy: 0.9702367674399831
Energy: 0.9826071678813766
Energy: 0.9702367674423923

minimum gb energy = 0.8402262222291297 eV
minimum distance =  2.31683205053893 Angstroms
sigma value = 29


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

Energy: 0.8286841442485963
Energy: 0.9872313479374978
Energy: 0.9392293261178594
Energy: 0.9872313479347626
Energy: 0.84818698097474
Energy: 0.8857960445821609
Energy: 0.8535582970232448
Energy: 0.8857960445807933
Energy: 0.8389918741978855
Energy: 0.8735417700541147
Energy: 0.8230001265519955
Energy: 0.8735417700489242
Energy: 0.8243851504092907
Energy: 0.8797219053188119
Energy: 0.84635688660364
Energy: 0.8797219053125336
Energy: 0.8256360654358447
Energy: 0.872235505764694
Energy: 0.8177310167729323
Energy: 0.872235505784368
Energy: 0.8368260185157683
Energy: 0.8696608683332432
Energy: 0.8174796306134499
Energy: 0.8696608683291406
Energy: 0.8165497777564873
Energy: 0.8781280083147831
Energy: 0.8505743273365067
Energy: 0.8781280083161507
Energy: 0.8538725788909669
Energy: 0.8769720554471196
Energy: 0.8228514440113242
Energy: 0.8769720554495749
Energy: 0.8232656305431577
Energy: 0.886145724003837
Energy: 0.8346018475897687
Energy: 0.886145724012291

minimum gb energy = 0.8165497777564873 eV
minimum distance =  2.38901652989621 Angstroms
sigma value = 5


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

Energy: 1.2192348056379811
Energy: 0.9625182844864808
Energy: 0.9633923162777622
Energy: 0.9625182844864808
Energy: 0.898446032596307
Energy: 0.931998142599535
Energy: 0.9985108444453351
Energy: 0.9319981426002935
Energy: 0.9962058717038013
Energy: 0.9316018914366448
Energy: 1.1463108865678429
Energy: 0.9316018914396791
Energy: 0.8673530615395193
Energy: 1.0035379644693994
Energy: 1.0068020798768043
Energy: 1.0035379644686409
Energy: 0.8666625724902989
Energy: 0.8425587998015961
Energy: 1.0043695517724593
Energy: 0.8425587998015961
Energy: 0.8504668833086263
Energy: 0.8428268809346849
Energy: 1.1436883884269575
Energy: 0.8428268809362023
Energy: 0.8419504833749595
Energy: 0.8428504229607147
Energy: 1.0059637814462108
Energy: 0.8428504229607147
Energy: 0.8459678251967413
Energy: 0.8441481356719353
Energy: 1.4396293510139888
Energy: 0.8441481356719353
Energy: 0.8593401428308847
Energy: 0.9645304788100737
Energy: 1.4145386246222231
Energy: 0.9645304788108322
Energy: 1.0422979495418239
Energy: 0.815712189163452
Energy: 0.8193855378352821
Energy: 0.8157121891649691
Energy: 0.8595551751325751
Energy: 0.8141661726274629
Energy: 0.8154367324231492
Energy: 0.8141661726282216
Energy: 1.1388149007186605
Energy: 0.8189257269709216
Energy: 0.8170461412689581
Energy: 0.8189257269716801
Energy: 1.1159252174952268
Energy: 0.8143620286158308
Energy: 0.8323586816848944
Energy: 0.8143620286158308
Energy: 0.8423813426251376
Energy: 0.904309194456331
Energy: 1.1428761724964231
Energy: 0.904309194456331
Energy: 0.8418795016247408
Energy: 0.9071999890346494
Energy: 1.1440201215288266
Energy: 0.9071999890361665
Energy: 0.8439329416108301
Energy: 0.8420286395497047
Energy: 0.8496477445585983
Energy: 0.8420286395489461
Energy: 0.8558817351760348
Energy: 0.8436777728688739
Energy: 0.867968243987489
Energy: 0.8436777728673569
Energy: 0.9976849896595316
Energy: 0.8454372549880044
Energy: 0.8236823864595618
Energy: 0.8454372549872458
Energy: 1.0031227892911463
Energy: 0.9207151794712202
Energy: 1.1596320415164718
Energy: 0.9207151794712202
Energy: 1.0049144009255475
Energy: 0.9246770432783697
Energy: 0.8672293849755043
Energy: 0.9246770432776111
Energy: 1.1436723442244972
Energy: 0.8558713846004595
Energy: 0.863385742422194
Energy: 0.8558713846019768
Energy: 1.0062283705094441
Energy: 0.8424621903436849
Energy: 0.8573791336488924
Energy: 0.8424621903436849
Energy: 0.8536964870967833
Energy: 0.8423652857744208
Energy: 0.8414898096720731
Energy: 0.8423652857721452
Energy: 1.2710738479554204
Energy: 0.8436177987930146
Energy: 0.8449389784924369
Energy: 0.8436177987930146
Energy: 1.1204603795946089
Energy: 0.9643284235858206
Energy: 0.8843822616255528
Energy: 0.9643284235865792
Energy: 0.823056865935661
Energy: 0.8171305483256934
Energy: 1.042476990913507
Energy: 0.8171305483256934
Energy: 0.8179358586956974
Energy: 0.8155300032699814
Energy: 0.8592813134902306
Energy: 0.8155300032684643
Energy: 0.8181888812574509
Energy: 0.8176264944702448
Energy: 0.8907661773977179
Energy: 0.8176264944702448
Energy: 0.8270841524297384
Energy: 0.8203351868369186
Energy: 1.438635082056053
Energy: 0.8203351868452284
Energy: 1.144244217204874
Energy: 0.9031944846663991
Energy: 0.8860870861859181
Energy: 0.9031944846663991
Energy: 1.1437140709288887
Energy: 0.9057051557681591
Energy: 0.8425370230357788
Energy: 0.9057051557681591
Energy: 0.8503339142433066
Energy: 0.8416522167187231
Energy: 0.8422487114071197
Energy: 0.8416522167179645
Energy: 0.8689906655697089
Energy: 0.8432476677238692
Energy: 0.8518251554163072
Energy: 0.8432476677246277

minimum gb energy = 0.8141661726274629 eV
minimum distance =  2.29930198081761 Angstroms
sigma value = 1


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

Energy: 1.623471526463501
Energy: 0.9304475469631598
Energy: 0.9306703269316826
Energy: 0.9304475469379871
Energy: 0.8252961769475615
Energy: 0.8099165456753806
Energy: 0.8207510371216996
Energy: 0.8099165456743318
Energy: 0.9983918224222723
Energy: 0.808423884220053
Energy: 0.8246659279001768
Energy: 0.8084238842231757
Energy: 0.8321743231378839
Energy: 0.8082776825000358
Energy: 0.8071930699076779
Energy: 0.8082776825409175
Energy: 0.8058778897734685
Energy: 0.8040156813762331
Energy: 1.2145972242658776
Energy: 0.8040156813783309
Energy: 0.8062316242930162
Energy: 0.8043530451593355
Energy: 0.8095752700371871
Energy: 0.8043530451582868
Energy: 0.8013702748280184
Energy: 0.8041566223369642
Energy: 0.8082035276948814
Energy: 0.8041566223379891
Energy: 0.8076554094602014
Energy: 0.8073345213117097
Energy: 1.6392077877233524
Energy: 0.8073345213148324
Energy: 0.8096708809510038
Energy: 0.8855160357977426
Energy: 1.5909432361170204
Energy: 0.885516035794596
Energy: 1.2264725264278753
Energy: 0.8081667654019462
Energy: 0.8078169640042958
Energy: 0.8081667653977508
Energy: 0.809088488069349
Energy: 0.8050877640670374
Energy: 0.8022216928380346
Energy: 0.8050877640691351
Energy: 0.7746687028168967
Energy: 0.8073238499586592
Energy: 0.8032980828782682
Energy: 0.8073238499586592
Energy: 0.7732117794916449
Energy: 0.8042163951186421
Energy: 0.8068401747316644
Energy: 0.8042163951196909
Energy: 0.8068426719180318
Energy: 0.8110807884584392
Energy: 0.8216830653793504
Energy: 0.811080788459488
Energy: 0.8352856974727696
Energy: 0.9038416458633213
Energy: 1.2170130205820693
Energy: 0.9038416458643701
Energy: 0.8374838285049576
Energy: 0.8115018901054818
Energy: 0.8072142632332429
Energy: 0.8115018901044329
Energy: 0.8062744648454738
Energy: 0.8115932117097142
Energy: 0.8168878321858556
Energy: 0.8115932117065675
Energy: 0.8112391605614531
Energy: 0.8070795880164416
Energy: 0.8037894329783853
Energy: 0.8070795880185154
Energy: 0.8045384276955557
Energy: 0.806840287332372
Energy: 0.7700457310168323
Energy: 0.8068402873292254
Energy: 0.8078454718288427
Energy: 0.8103053977446728
Energy: 1.6249619650027936
Energy: 0.8103053977415261
Energy: 0.8165606027975344
Energy: 0.8818844464258401
Energy: 0.8082953895619358
Energy: 0.8818844464258401
Energy: 0.81653945057005
Energy: 0.8061747146628186
Energy: 0.8057282905279738
Energy: 0.8061747146638675
Energy: 0.8069722713008067
Energy: 0.8034607740999705
Energy: 0.8022680218820551
Energy: 0.80346077411885
Energy: 0.7685280107722875
Energy: 0.8041472216568297
Energy: 0.8043135740804496
Energy: 0.8041472216589274

minimum gb energy = 0.7685280107722875 eV
minimum distance =  2.30657743191213 Angstroms
sigma value = 17


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

Energy: 1.6044900929448271
Energy: 0.9316358323961079
Energy: 0.9345006108438191
Energy: 0.9316358323967561
Energy: 0.8088648318565571
Energy: 0.8054119242390704
Energy: 1.0683728296777153
Energy: 0.8054119242397186
Energy: 1.3007444365931724
Energy: 0.8473237296818557
Energy: 1.0648502437600622
Energy: 0.8473237296818557
Energy: 1.30916738436314
Energy: 1.0231895053332984
Energy: 0.8243464922618495
Energy: 1.0231895053320017
Energy: 0.7863624411830397
Energy: 0.7820984602079453
Energy: 1.0515385974526676
Energy: 0.7820984602079453
Energy: 0.7821904024072592
Energy: 0.7810000292135522
Energy: 0.9326249161412655
Energy: 0.7810000292122555
Energy: 0.7811579975849389
Energy: 0.7806925857914517
Energy: 0.825601161592692
Energy: 0.7806925857914517
Energy: 0.7881534416676578
Energy: 0.784045908094304
Energy: 0.7864791653263664
Energy: 0.7840459080936556
Energy: 1.0472758406489049
Energy: 0.8910779847033613
Energy: 0.8245214416753365
Energy: 0.8910779847046578
Energy: 1.0685767841776659
Energy: 0.9111189702401307
Energy: 0.9492026411208441
Energy: 0.9111189702414273
Energy: 0.8042071896343453
Energy: 0.8513413038606246
Energy: 0.8192260813721046
Energy: 0.8513413038606246
Energy: 0.8051900197694892
Energy: 0.8074863072742364
Energy: 0.9412263796333923
Energy: 0.8074863072729399
Energy: 0.9141097286542272
Energy: 0.8017503773197833
Energy: 0.8026113021217463
Energy: 0.8017503773197833
Energy: 0.8038450675199704
Energy: 0.801265331856769
Energy: 0.8023189291382163
Energy: 0.8012653318548241
Energy: 1.3015017353587168
Energy: 0.8045804530941562
Energy: 0.8082269067869786
Energy: 0.8045804530928595
Energy: 0.7813823314180474
Energy: 0.8887514743634963
Energy: 0.806492785880095
Energy: 0.8887514743654412
Energy: 0.8093070304553787
Energy: 0.8069528297735751
Energy: 1.4528800365135088
Energy: 0.806952829770982
Energy: 0.8036149347605875
Energy: 0.8027021678066648
Energy: 0.8098713615716604
Energy: 0.8027021678053682
Energy: 0.8157411405647879
Energy: 0.8075376616967251
Energy: 0.8217413014313597
Energy: 0.807537661694132
Energy: 0.8033061159925973
Energy: 0.8044606320107731
Energy: 1.6037918004268983
Energy: 0.8044606320114215
Energy: 1.0656068032770507
Energy: 0.8038514704973166
Energy: 0.802752778720756
Energy: 0.8038514704979649
Energy: 0.9540159185260052
Energy: 0.9076992679891123
Energy: 1.3105102288828405
Energy: 0.907699267988464
Energy: 0.823448689713027
Energy: 0.8864935904596253
Energy: 1.3072922868544563
Energy: 0.8864935904576806
Energy: 0.9326025263913452
Energy: 0.7825867625100549
Energy: 0.7849908593450756
Energy: 0.7825867625094066
Energy: 0.8082631547329443
Energy: 0.786086825224528
Energy: 0.7818804715436632
Energy: 0.7860868252251765
Energy: 0.8263457558439573
Energy: 0.7825094887588752
Energy: 0.7831819355613231
Energy: 0.7825094887575785
Energy: 1.7132392664133065
Energy: 0.7847228377158776
Energy: 0.7923565479999386
Energy: 0.7847228377158776
Energy: 0.8235000824947196
Energy: 0.8877209924047239
Energy: 0.9188979223392799
Energy: 0.8877209924047239
Energy: 0.9371306068047894
Energy: 0.9133738935360356
Energy: 1.063762268823415
Energy: 0.9133738935360356
Energy: 0.8201215015187958
Energy: 0.8551248618073952
Energy: 0.806002569018421
Energy: 0.8551248618054506
Energy: 0.9313352760046696
Energy: 0.8016246892470097
Energy: 0.9205419711213261
Energy: 0.8016246892451238
Energy: 0.802829499767809
Energy: 0.8012289915623274
Energy: 0.9211958500832349
Energy: 0.8012289915629757
Energy: 0.8011497941337148
Energy: 0.8009578501137717
Energy: 0.8046660199444822
Energy: 0.8009578501150683
Energy: 0.8111227526337174
Energy: 0.8059800487733386
Energy: 1.3066919974955804
Energy: 0.8059800487746351
Energy: 0.8078564798953579
Energy: 0.9701986985690441
Energy: 0.7950386047418676
Energy: 0.9701986985696923
Energy: 1.4636421325402045
Energy: 0.810046982941096
Energy: 0.816842523623418
Energy: 0.8100469829423926
Energy: 0.8084727482310166
Energy: 0.8020448868679368
Energy: 0.8016821480194404
Energy: 0.8020448868737713
Energy: 0.8228678332895983
Energy: 0.8104111364464778
Energy: 0.8084575948535053
Energy: 0.810411136444533

minimum gb energy = 0.7806925857914517 eV
minimum distance =  2.29567916030543 Angstroms
sigma value = 89


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

Energy: 2.0482951951133015
Energy: 0.8838476004938131
Energy: 0.874932700356252
Energy: 0.8838476004938131
Energy: 0.7373028152276057
Energy: 0.7432627560217849
Energy: 0.7526700117416473
Energy: 0.7432627560183923
Energy: 0.7328105401327464
Energy: 0.7418447959179758
Energy: 0.7555811247163876
Energy: 0.7418447959061023
Energy: 0.7331404627375973
Energy: 0.8178000355684998
Energy: 0.7389250612210037
Energy: 0.8178000355752847
Energy: 0.7375488447337589
Energy: 0.7441535270117844
Energy: 0.7495044346347608
Energy: 0.7441535270100882
Energy: 0.7375083192444376
Energy: 0.7376035268627738
Energy: 0.7485497994494443
Energy: 0.7376035268627738
Energy: 0.7358460540097392
Energy: 0.7368651738730106
Energy: 0.7399317319651169
Energy: 0.7368651738713143
Energy: 0.7488590235094197
Energy: 0.7412902423725936
Energy: 0.7314124644774328
Energy: 0.7412902423725936
Energy: 0.7405228803736248
Energy: 0.743899591540016
Energy: 0.7407987648214088
Energy: 0.743899591540016
Energy: 1.3927857343617696
Energy: 0.8170386818478831
Energy: 0.7549178866255025
Energy: 0.8170386818478831
Energy: 0.7395456677050496
Energy: 0.8208617652442688
Energy: 0.7305344629775787
Energy: 0.8208617652442688
Energy: 0.7481820796628791
Energy: 0.7430146545788531
Energy: 0.7396655585511843
Energy: 0.743014654577157
Energy: 0.7497937115442027
Energy: 0.7391651923142749
Energy: 0.7408140773743597
Energy: 0.739165192315971
Energy: 0.7394102160147507
Energy: 0.7361373011508707
Energy: 0.7352642576748866
Energy: 0.7361373011508707
Energy: 0.7318902733004417
Energy: 0.7384038690580295
Energy: 0.7400585527080316
Energy: 0.7384038690563333

minimum gb energy = 0.7305344629775787 eV
minimum distance =  2.32553480863723 Angstroms
sigma value = 13


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

Energy: 1.630214919815497
Energy: 0.71584161317145
Energy: 0.8549735455678358
Energy: 0.715841613172161
Energy: 0.8208290871154573
Energy: 0.712456842655868
Energy: 0.9843475459490414
Energy: 0.7124568426565787
Energy: 0.78799619423667
Energy: 0.8334185228269995
Energy: 0.9800762113330911
Energy: 0.8334185228277103
Energy: 1.3110751321995764
Energy: 0.7113503053505236
Energy: 0.8279687915978428
Energy: 0.7113503053498127
Energy: 0.8230095474922525
Energy: 0.8414027694389291
Energy: 0.7844529779999185
Energy: 0.8414027694446166
Energy: 0.8376283369754132
Energy: 0.7148442774238598
Energy: 0.7807308094137696
Energy: 0.7148442774174613
Energy: 0.8590361631545294
Energy: 0.7127833238233809
Energy: 0.826684085124426
Energy: 0.7127833238240919
Energy: 0.7171614957030243
Energy: 0.8030997215207527
Energy: 0.8772061126403646
Energy: 0.803099721516487
Energy: 0.7117505188170766
Energy: 0.7119515548545511
Energy: 0.8132063685168377
Energy: 0.7119515548538402
Energy: 0.7123830869477812
Energy: 0.7119023560701949
Energy: 0.8373162372497897
Energy: 0.7119023560716168
Energy: 0.7133804796401562
Energy: 0.712349220189286
Energy: 1.6321095970134598
Energy: 0.712349220191419
Energy: 0.7239624440079042
Energy: 0.7144883692749084
Energy: 0.8357291856857739
Energy: 0.7144883692756193
Energy: 1.3069637333409065
Energy: 0.7537880126942155
Energy: 0.82667011327845
Energy: 0.7537880126956374
Energy: 0.7160363096688982
Energy: 0.7558257597184279
Energy: 0.9129846504845707
Energy: 0.7558257597127402
Energy: 0.8788495081802238
Energy: 0.6997818249115437
Energy: 0.7666439092600053
Energy: 0.6997818249150984
Energy: 0.8770964128388181
Energy: 0.6995384502977139
Energy: 0.8344897514300529
Energy: 0.6995384502970028
Energy: 0.7166608360390254
Energy: 0.6976269054359976
Energy: 0.7751238867212852
Energy: 0.6976269054359976
Energy: 1.5465237736839124
Energy: 0.6989696763883639
Energy: 0.7604808228717841
Energy: 0.6989696763904969
Energy: 0.9503186395837154
Energy: 0.697965643679121
Energy: 0.8759012193193694
Energy: 0.6979656436826759
Energy: 0.725514108956178
Energy: 0.8219493947468979
Energy: 0.938266229982054
Energy: 0.8219493947433433
Energy: 1.3095668136464185
Energy: 0.6988986221200901
Energy: 0.8744573467554185
Energy: 0.6988986221243559
Energy: 0.7250121657872645
Energy: 0.9217109788834335
Energy: 0.7767779603771086
Energy: 0.9217109788820116
Energy: 0.7206562181522259
Energy: 0.715690019362877
Energy: 0.7856937115309877
Energy: 0.7156900193671428
Energy: 0.8439417980744386
Energy: 0.7141756359951549
Energy: 0.8289535019043607
Energy: 0.7141756359958658
Energy: 0.7127225902443389
Energy: 0.7123768659477999
Energy: 0.8769726795080063
Energy: 0.7123768659485109
Energy: 0.7119456007076446
Energy: 0.710746861578241
Energy: 0.8763262358192393
Energy: 0.7107468615775301
Energy: 0.7102788096535758
Energy: 0.7101901614994859
Energy: 0.829007352393624
Energy: 0.7101901614987748
Energy: 0.7127125299150442
Energy: 0.7110131055891711
Energy: 0.7739757043014311
Energy: 0.7110131055870381
Energy: 0.8317076004507116
Energy: 0.7126854014382982
Energy: 0.9339880855558464
Energy: 0.7126854014347436
Energy: 1.1033977296644324
Energy: 0.7538775367619367
Energy: 0.8327422659479519
Energy: 0.7538775367605148
Energy: 0.8236127777882283
Energy: 0.8264010432315669
Energy: 1.3099677068826292
Energy: 0.8264010432322779
Energy: 0.8770967107047805
Energy: 0.7141406084454099
Energy: 0.8324775367545785
Energy: 0.7141406084425662
Energy: 0.877214023887278
Energy: 0.713173624629739
Energy: 0.7165664352387128
Energy: 0.7131736246240514
Energy: 0.9173721640993948
Energy: 0.7078217853348183
Energy: 0.70801583731866
Energy: 0.7078217853333965
Energy: 0.9192636633345431
Energy: 0.7091864393332804
Energy: 0.7113740849090451
Energy: 0.7091864393318584

minimum gb energy = 0.6976269054359976 eV
minimum distance =  2.30547077333542 Angstroms
sigma value = 37


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

Energy: 1.3098707337078408
Energy: 0.667941034681413
Energy: 0.8155223944418838
Energy: 0.6679410346789666
Energy: 0.8546192348361218
Energy: 0.668559513931253
Energy: 0.8628821792587621
Energy: 0.6685595139324763
Energy: 0.7497710113626964
Energy: 0.6682285439374509
Energy: 1.1196528083856938
Energy: 0.6682285439374509
Energy: 0.7517383571785231
Energy: 0.8024123972868716
Energy: 0.6770349368040258
Energy: 0.8024123972893179
Energy: 0.8575298058756616
Energy: 0.8048848451305138
Energy: 0.755283159420173
Energy: 0.8048848451292907
Energy: 0.7663370221677434
Energy: 0.6507835987843541
Energy: 0.7499030265087099
Energy: 0.650783598783131
Energy: 0.7651423565349702
Energy: 0.6494652502423959
Energy: 0.644133113327177
Energy: 0.6494652502411727
Energy: 0.7616130385109345
Energy: 0.6487981331695696
Energy: 0.7557805422341264
Energy: 0.6487981331695696
Energy: 0.8699804166962003
Energy: 0.6441927747446611
Energy: 0.7607839554548016
Energy: 0.6441927747446611
Energy: 0.8711807547519487
Energy: 0.644956919441309
Energy: 0.6483594567029761
Energy: 0.644956919441309
Energy: 0.774824517502609
Energy: 0.7745403644323708
Energy: 1.1705992672541599
Energy: 0.7745403644323708
Energy: 1.322075180680998
Energy: 0.6447062676526597
Energy: 0.6491790900151927
Energy: 0.644706267653883
Energy: 1.3215630002526093
Energy: 0.6465127103175734
Energy: 0.7494505773807626
Energy: 0.6465127103175734
Energy: 0.7630058883155814
Energy: 0.6456271624657418
Energy: 0.7503442238045417
Energy: 0.6456271624657418
Energy: 0.755283159377362
Energy: 0.7315522313073854
Energy: 0.6515848212315908
Energy: 0.7315522313086086
Energy: 0.7499030264891392
Energy: 0.6675377057091223
Energy: 0.7657711299560708
Energy: 0.6675377057091223
Energy: 0.8574722295075038
Energy: 0.6675385858138488
Energy: 0.7652186866441867
Energy: 0.6675385858114025
Energy: 0.7557805269586166
Energy: 0.6761160704595147
Energy: 0.6755882806739644
Energy: 0.6761160704607379
Energy: 0.7607839554462393
Energy: 0.666072517731423
Energy: 0.6679531533050721
Energy: 0.6660725177277534
Energy: 0.7515313986628371
Energy: 0.6670300048728895
Energy: 0.6686396529407548
Energy: 0.6670300048716663

minimum gb energy = 0.644133113327177 eV
minimum distance =  2.31197184733045 Angstroms
sigma value = 25


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

Energy: 1.688359642074986
Energy: 0.5844360630454347
Energy: 0.7413247588934394
Energy: 0.5844360630454347
Energy: 0.8406445282455853
Energy: 0.5824503017338662
Energy: 0.9342524029164698
Energy: 0.5824503017329109
Energy: 0.9161778870026152
Energy: 0.5841893572578775
Energy: 0.9334452258876857
Energy: 0.5841893572588327
Energy: 0.9735716681868897
Energy: 0.5923836860157394
Energy: 0.7564821588040039
Energy: 0.5923836860166944
Energy: 0.9285728806957544
Energy: 0.6496158933932068
Energy: 0.9366749601793667
Energy: 0.6496158933941619
Energy: 0.9553382718424611
Energy: 0.6476656865398023
Energy: 0.9285193306798302
Energy: 0.647665686540714
Energy: 1.2824790367597094
Energy: 0.6509081592150917
Energy: 0.9266192118133959
Energy: 0.6509081592150917
Energy: 0.7566994758227039
Energy: 0.5907314551935238
Energy: 0.970055341539302
Energy: 0.590731455196389
Energy: 0.7708310890673147
Energy: 0.5840205106506222
Energy: 0.9327593359012665
Energy: 0.5840205106496671
Energy: 0.752034787441489
Energy: 0.5836542230416935
Energy: 0.9324790728894878
Energy: 0.5836542230416935
Energy: 0.585453916982577
Energy: 0.585200544922729
Energy: 1.1841840876562986
Energy: 0.5852005449217738
Energy: 0.5832860251817298
Energy: 0.5834193558840497
Energy: 0.9318247311714877
Energy: 0.5834193558840497
Energy: 0.5831500769960908
Energy: 0.5832049326804604
Energy: 0.9166070079763209
Energy: 0.5832049326814155
Energy: 0.5900637397647228
Energy: 0.5875097579519667
Energy: 0.915494570502708
Energy: 0.5875097579357295
Energy: 0.9321592115407092
Energy: 0.5825074496474951
Energy: 0.9261383607581659
Energy: 0.5825074496484504
Energy: 0.7719035379246187
Energy: 0.5841155980859173
Energy: 0.9170211797215818
Energy: 0.5841155980849622
Energy: 0.7563744888016872
Energy: 0.5840297854452793
Energy: 0.9180711011862001
Energy: 0.5840297854452793
Energy: 0.7786641193791431
Energy: 0.6498316714377125
Energy: 0.9254586221441768
Energy: 0.6498316714367574
Energy: 0.9357723625285648
Energy: 0.648732149323416
Energy: 1.2835577394509332
Energy: 0.648732149323416
Energy: 0.9290376986106462
Energy: 0.585455831614776
Energy: 0.9557020925298476
Energy: 0.5854558316157311
Energy: 1.1856523062448339
Energy: 0.5838509780868174
Energy: 0.7542141139117066
Energy: 0.5838509780829968
Energy: 0.9300081710976926
Energy: 0.5840967474148573
Energy: 0.5829083214936279
Energy: 0.5840967474167676
Energy: 0.9295426106463557
Energy: 0.5831933163141022
Energy: 0.7497737153192384
Energy: 0.5831933163141022
Energy: 0.9273583978368592
Energy: 0.5827096577039351
Energy: 0.5870467662381637
Energy: 0.5827096577068007
Energy: 0.9266974414456481
Energy: 0.5830836720196386
Energy: 0.5836005934725585
Energy: 0.5830836720186835
Energy: 0.9151272077700895
Energy: 0.5832217356458618
Energy: 0.5854667273962694
Energy: 0.5832217356458618

minimum gb energy = 0.5824503017329109 eV
minimum distance =  2.32723026438375 Angstroms
sigma value = 41


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

Energy: 1.8776351825369042
Energy: 0.7006119402926739
Energy: 0.7020545226751013
Energy: 0.7006119402895418
Energy: 1.0727345167827786
Energy: 0.5363611606250978
Energy: 0.6941509926208657
Energy: 0.5363611606227486
Energy: 1.0061259434169718
Energy: 0.5356587089715859
Energy: 0.8209999532731542
Energy: 0.535658708965357
Energy: 1.0059175964189195
Energy: 0.5422046259951788
Energy: 0.6873885387408948
Energy: 0.5422046259967449
Energy: 1.0691050305088434
Energy: 0.6853146069817554
Energy: 1.197173561856705
Energy: 0.6853146069825385
Energy: 1.0092616079817611
Energy: 0.6840020807623732
Energy: 0.9454826624403961
Energy: 0.6840020807631564
Energy: 1.008205557810049
Energy: 0.6854327829551417
Energy: 0.9567781664499522
Energy: 0.6854327829551417
Energy: 0.9564084772854006
Energy: 0.5329512971529142
Energy: 1.3415933413176875
Energy: 0.5329512971552633
Energy: 1.023794978123055
Energy: 0.5329429450340523
Energy: 0.9451448861571163
Energy: 0.5329429450348354
Energy: 0.8835734123701642
Energy: 0.5327903728370359
Energy: 1.0472974584642278
Energy: 0.5327903728354698
Energy: 0.678828202305135
Energy: 0.5317590027144046
Energy: 1.6849604694342035
Energy: 0.5317590027167538
Energy: 0.7547118402415026
Energy: 0.5318395301622342
Energy: 1.0560982162933479
Energy: 0.5318395301583189
Energy: 0.6714979169401575
Energy: 0.531697687994281
Energy: 0.9994106410066151
Energy: 0.5316976879927149
Energy: 0.6107605417497536
Energy: 0.5308838063330391
Energy: 0.8907544664019009
Energy: 0.5308838063369544
Energy: 0.6707781822393792
Energy: 0.5310909716869631
Energy: 1.0637221690264886
Energy: 0.5310909716830478
Energy: 0.60746709230699
Energy: 0.5304731795412421
Energy: 0.8220447171945767
Energy: 0.5304731795475064
Energy: 0.615168405289806
Energy: 0.5308772823579433
Energy: 0.8228204946468161
Energy: 0.5308772823563771
Energy: 0.9519754326471528
Energy: 0.5312263783320057
Energy: 1.0584851717994197
Energy: 0.5312263780471161
Energy: 0.7518877141923799
Energy: 0.5307877927626713
Energy: 1.0039678255328728
Energy: 0.5307877927642374
Energy: 0.832590089738841
Energy: 0.5303533873075496
Energy: 1.0056281805948268
Energy: 0.5303533873098988
Energy: 1.2008294539016058
Energy: 0.5872149725211899
Energy: 1.057052129228831
Energy: 0.5872149725196238
Energy: 0.9341355462058698
Energy: 0.5309409905875719
Energy: 1.0087812644095655
Energy: 0.5309409905828736
Energy: 1.0749833955451826
Energy: 0.5856634619812804
Energy: 1.1169531652752283
Energy: 0.5856634619758345
Energy: 1.3394994225096986
Energy: 0.5374026677979464
Energy: 0.930554648521258
Energy: 0.5374026677971634
Energy: 1.0684336620804369
Energy: 0.5879420291731157
Energy: 1.0540104761246496
Energy: 0.5879420291770309
Energy: 0.8918808184079171
Energy: 0.5360806736019922
Energy: 0.9306578562572878
Energy: 0.5360806736035583
Energy: 0.8932178638433524
Energy: 0.5358296443390912
Energy: 0.6840647375370523
Energy: 0.5358296443351759
Energy: 1.068077625799214
Energy: 0.5366297761967229
Energy: 0.6956621918345206
Energy: 0.5366297761896756
Energy: 0.7560271021066338
Energy: 0.5361042218559219
Energy: 0.692095650011407
Energy: 0.5361042218645355
Energy: 0.8857897797724881
Energy: 0.5353598424734757
Energy: 0.5383605313071178
Energy: 0.5353598424742586
Energy: 1.06922783919839
Energy: 0.5354178913046415
Energy: 0.536457010593272
Energy: 0.5354178913054244
Energy: 0.882852548339825
Energy: 0.5352806405407694
Energy: 0.5403418901829077
Energy: 0.5352806405392034

minimum gb energy = 0.5303533873075496 eV
minimum distance =  2.3167680366713 Angstroms
sigma value = 15


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

Energy: 1.3975726220863234
Energy: 0.6634322772644401
Energy: 0.6640075682186134
Energy: 0.6634322772664301
Energy: 1.1666331338301983
Energy: 0.49339138709791835
Energy: 0.6289934650889719
Energy: 0.4933913871038886
Energy: 1.0073917826139493
Energy: 0.49313894518887536
Energy: 0.7339298342831693
Energy: 0.4931389451902021
Energy: 1.07913797393025
Energy: 0.5017421079568645
Energy: 0.629541247542213
Energy: 0.5017421079621712
Energy: 1.162632986392443
Energy: 0.4975669725679386
Energy: 0.9155274323538575
Energy: 0.49756697256064175
Energy: 1.1172956080849317
Energy: 0.49679607976808093
Energy: 0.8610459025166671
Energy: 0.4967960797647642
Energy: 1.019013164273178
Energy: 0.49333171745828835
Energy: 0.8691696480588667
Energy: 0.49333171745895177
Energy: 1.0643072566802205
Energy: 0.5420554788658134
Energy: 1.1729889390990054
Energy: 0.5420554788731105
Energy: 1.0159203687249796
Energy: 0.7557440923133775
Energy: 1.0593902513641944
Energy: 0.7557440923153677
Energy: 1.0128936295312865
Energy: 0.49381564635930913
Energy: 0.9566006761941555
Energy: 0.49381564636262587
Energy: 0.862816810236414
Energy: 0.49088819994837696
Energy: 1.4584015232435579
Energy: 0.4908881999443967
Energy: 1.0371770190386715
Energy: 0.49314170927838746
Energy: 0.9571907779725084
Energy: 0.4931417092790509
Energy: 0.8542256343756158
Energy: 0.49143608126827854
Energy: 0.9752487675319045
Energy: 0.4914360812669519
Energy: 0.6174401804350986
Energy: 0.49091775355526696
Energy: 1.121765404855542
Energy: 0.4909177535539403
Energy: 0.6284559175445493
Energy: 0.49176679548533897
Energy: 1.1580068327773603
Energy: 0.49176679547538854
Energy: 0.6142079617709963
Energy: 0.48996578799650525
Energy: 0.9044211390500785
Energy: 0.4899657879865548
Energy: 0.5580661632448092
Energy: 0.49085629599652403
Energy: 1.0026396447393273
Energy: 0.4908562959985141
Energy: 0.6080489826285194
Energy: 0.49041422035779436
Energy: 1.1589706868414247
Energy: 0.49041422035381416
Energy: 0.5594070222639804
Energy: 0.48918703402627
Energy: 1.167679606696101
Energy: 0.48918703402693337
Energy: 0.6854865310478676
Energy: 0.49129377025233717
Energy: 0.9547505046441538
Energy: 0.4912937702476937
Energy: 0.8439057205007138
Energy: 0.48994819031186604
Energy: 1.1612821127073585
Energy: 0.48994819032977666
Energy: 0.6874029381391282
Energy: 0.49051211121811483
Energy: 1.0824181356969076
Energy: 0.4905121112154614
Energy: 0.8431742331114063
Energy: 0.4897033419709213
Energy: 1.1158884667110707
Energy: 0.48970334196627785
Energy: 0.859782784481294
Energy: 0.49112093550428226
Energy: 1.1573019986778206
Energy: 0.4911209354989754
Energy: 0.8473175478577211
Energy: 0.49216171009216175
Energy: 1.3113206054553472
Energy: 0.4921617100895082
Energy: 1.0671966830714534
Energy: 0.5399073408927887
Energy: 0.9728984175627355
Energy: 0.5399073408947787
Energy: 0.9084723051437309
Energy: 0.5375293665975978
Energy: 1.0445345640606531
Energy: 0.537529366603568
Energy: 1.065290637002955
Energy: 0.5422746832630368
Energy: 1.0602130709131183
Energy: 0.5422746832617102
Energy: 1.1175248863311231
Energy: 0.6343602070884162
Energy: 0.8739359562729294
Energy: 0.6343602070831094
Energy: 1.1184170635785782
Energy: 0.4978668778575851
Energy: 0.851038462531727
Energy: 0.49786687785493167
Energy: 1.0637488311114998
Energy: 0.49602684102224304
Energy: 1.0371088245326894
Energy: 0.4960268410195896
Energy: 1.1202734094519267
Energy: 0.6222456617529893
Energy: 0.6324862762222037
Energy: 0.6222456617443656
Energy: 0.97513690599903
Energy: 0.49402344038914475
Energy: 0.6786176367698513
Energy: 0.49402344038251117
Energy: 1.1654294315569194
Energy: 0.49351720593132875
Energy: 0.6806288356453182
Energy: 0.49351720593132875
Energy: 1.5442693426873566
Energy: 0.49969015686556395
Energy: 0.4973173751812717
Energy: 0.4996901568755143
Energy: 1.1006429804412254
Energy: 0.49337944343035045
Energy: 0.49401507328461114
Energy: 0.49337944343565726
Energy: 1.0067080225939158
Energy: 0.4939820218368726
Energy: 0.49405472705332304
Energy: 0.49398202183023904

minimum gb energy = 0.48918703402627 eV
minimum distance =  2.3237957892997 Angstroms
sigma value = 85


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

Energy: 1.5814638608408091
Energy: 0.4447132136983465
Energy: 0.44537294794508747
Energy: 0.44471321370812705
Energy: 1.2187867034380229
Energy: 0.44236987347579126
Energy: 0.5611734789268849
Energy: 0.44236987347694184
Energy: 1.2179328800410325
Energy: 0.44171075882010713
Energy: 0.5617229952892402
Energy: 0.44171075882010713
Energy: 1.3307822829270932
Energy: 0.5573591937800313
Energy: 0.5578933443278834
Energy: 0.557359193779456
Energy: 1.2167127253890528
Energy: 0.44200435619387884
Energy: 0.8583857751221363
Energy: 0.44200435619387884
Energy: 1.042077525218094
Energy: 0.44211121353949445
Energy: 0.8641521514850342
Energy: 0.44211121353949445
Energy: 1.037995218763434
Energy: 0.4418507583735864
Energy: 0.7638119108335872
Energy: 0.441850758374737
Energy: 1.0445218284965674
Energy: 0.5985532757715913
Energy: 0.9699412464686576
Energy: 0.5985532757733173
Energy: 1.0380251258150976
Energy: 0.44298583281722237
Energy: 0.9470126959241253
Energy: 0.44298583281607173
Energy: 1.038126763856879
Energy: 0.5226954462793546
Energy: 1.0464256443405124
Energy: 0.5226954462805052
Energy: 0.9520537062530805
Energy: 0.4436536761186302
Energy: 1.1274157323663405
Energy: 0.4436536761220822
Energy: 0.8606433079343565
Energy: 0.5945489918732273
Energy: 1.1268598430863406
Energy: 0.5945489918726519
Energy: 0.9483751195721833
Energy: 0.4430790346087717
Energy: 1.1295273040458444
Energy: 0.4430790346024431
Energy: 0.7679687891700993
Energy: 0.44313017818189554
Energy: 0.9455537932358186
Energy: 0.44313017818074485
Energy: 0.8495203539234667
Energy: 0.4452239386984052
Energy: 1.216702989553644
Energy: 0.4452239386989805
Energy: 0.7633986728963061
Energy: 0.44244006497010113
Energy: 1.0418091604757689
Energy: 0.44244006497010113
Energy: 0.5562057896185005
Energy: 0.44269029441266644
Energy: 1.1251026683929248
Energy: 0.4426902944120912
Energy: 0.646823625760951
Energy: 0.4418736290511141
Energy: 1.216284215754128
Energy: 0.4418736290505388
Energy: 0.5566962889471708
Energy: 0.44344372227629186
Energy: 1.125744604898334
Energy: 0.4434437222774425
Energy: 0.4422039053988384
Energy: 0.4424296577374041
Energy: 1.0415363839726037
Energy: 0.4424296577385547
Energy: 0.4422360360585445
Energy: 0.4432437784233823
Energy: 1.216364232551796
Energy: 0.4432437784233823
Energy: 0.4429726455207619
Energy: 0.44273946920014845
Energy: 1.0363387298762698
Energy: 0.442739469201273
Energy: 0.5573420173198697
Energy: 0.4426616988064718
Energy: 1.0468178090899865
Energy: 0.4426616988064718
Energy: 0.6472381828762022
Energy: 0.44179406129143894
Energy: 1.2177782762259912
Energy: 0.4417940612920143
Energy: 0.5587677129134858
Energy: 0.4432714750064394
Energy: 1.155270730103261
Energy: 0.44327147500759007
Energy: 0.8630454077597498
Energy: 0.4415063475936839
Energy: 1.0480965847163615
Energy: 0.4415063475942593
Energy: 0.858141787757631
Energy: 0.4431523907256334
Energy: 1.2171727217255273
Energy: 0.4431523907256334
Energy: 0.7631110105211644
Energy: 0.4419287879624671
Energy: 1.1576158550699935
Energy: 0.44192878796361773
Energy: 0.9472181347582872
Energy: 0.44288236435413847
Energy: 1.0450730086751088
Energy: 0.44288236435356315
Energy: 0.9506178587798848
Energy: 0.5944690681946899
Energy: 1.041047355687196
Energy: 0.5944690681946899
Energy: 0.9478336031157265
Energy: 0.593518742133156
Energy: 0.8599036918735108
Energy: 0.5935187421325807
Energy: 0.9464122488971881
Energy: 0.4427574489971638
Energy: 0.9533034953196946
Energy: 0.44275744899601316
Energy: 1.131462273069852
Energy: 0.5939578336609994
Energy: 0.8562646102115958
Energy: 0.5939578336609994
Energy: 1.050476335566502
Energy: 0.44292358755471506
Energy: 0.8578180999192803
Energy: 0.44292358752422256
Energy: 1.0329887502263013
Energy: 0.44341054039279004
Energy: 0.7625010454335883
Energy: 0.44341054035309224
Energy: 1.2176698693207988
Energy: 0.44227069568388805
Energy: 0.8592665076943633
Energy: 0.44227069568388805
Energy: 1.04445062242982
Energy: 0.44195250598049274
Energy: 0.7616750006138451
Energy: 0.44195250598106806
Energy: 1.0403348316289984
Energy: 0.44313282941897436
Energy: 0.5578356335628648
Energy: 0.4431328294183991
Energy: 1.2174304988903235
Energy: 0.443934993611145
Energy: 0.6479951099269937
Energy: 0.4439349936117203
Energy: 1.0404137988866815
Energy: 0.4430382586605696
Energy: 0.5563023819200098
Energy: 0.44303825865941904
Energy: 1.0414995838636194
Energy: 0.443045703601822
Energy: 0.4431748878024153
Energy: 0.4430457036023973
Energy: 1.2164674379994778
Energy: 0.44211792543305195
Energy: 0.4420224466665127
Energy: 0.44211792543305195
Energy: 1.0409624137732107
Energy: 0.44306911282611433
Energy: 0.4424056283832051
Energy: 0.44306911282611433

minimum gb energy = 0.4415063475936839 eV
minimum distance =  2.31970821519658 Angstroms
sigma value = 113


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

Energy: 0.015405947128322134
Energy: 0.3065039374210688
Energy: 0.9906741271562164
Energy: 0.3065039374219287
Energy: 0.7945924677432592
Energy: 0.10559123921870431
Energy: 0.7913138679217617
Energy: 0.10559123921914661
Energy: 0.016109749691855614
Energy: 0.1046504077473237
Energy: 0.7893362423940736
Energy: 0.10465040774776599
Energy: 0.01718377691846683
Energy: 0.10807128549689288
Energy: 0.793306069914137
Energy: 0.10807128549777745
Energy: 0.7933213441875391
Energy: 0.1068283144494061
Energy: 0.7927583562270375
Energy: 0.1068283144498484
Energy: 0.01600837002222993
Energy: 0.10442798814242232
Energy: 0.7896673155554176
Energy: 0.10442798814286461

minimum gb energy = 0.015405947128322134 eV
minimum distance =  2.52329349603135 Angstroms
sigma value = 1