Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762046966
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9334106313131598e-19, 2.7468517301612997e-19, 3.36628526039838e-19, 3.8688079616524797e-19, 4.28971578517062e-19, 4.64897185181244e-19, 4.95928142228556e-19, 5.2293443157126e-19, 5.46548912979786e-19, 5.67249035091066e-19, 5.857413578006939e-19, 6.02661945232368e-19, 6.17296226607324e-19, 6.29796408705792e-19, 6.40489335561108e-19, 6.49632957611346e-19, 6.573874925199059e-19, 6.638634904745339e-19, 6.69152275543368e-19, 6.733371609113759e-19, 6.76488642350454e-19, 6.786708069259619e-19, 6.79942935173358e-19, 6.8035629674493e-19, 6.79914095993946e-19, 6.784849544364179e-19, 6.7590224570241e-19, 6.719640955360379e-19, 6.6643338179547e-19, 6.590265192164879e-19, 6.494038463526839e-19, 6.37156808162388e-19, 6.2178872988906e-19, 6.02695590941682e-19, 5.7914519659851595e-19, 5.50224306178182e-19, 5.148017829770759e-19, 4.71454894144206e-19, 4.1838759967285797e-19, 3.5329917391660796e-19, 2.73217579219386e-19, 1.74251128537206e-19, 5.1228796783833e-20, -1.0282801680544679e-19, -2.9750817916745996e-19, -5.464095236126279e-19, -8.70488200078344e-19, -1.3048495007921819e-18, -1.9129027703979595e-18, -2.8195905493449e-18, -4.2964769705660996e-18, -7.00445989558656e-18, -1.27711902761091e-17, -2.7399783924014397e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01647673139908313
Energy: 0.016928221302843504
Energy: 1.0535977294928915
Energy: 0.10999467062203054
Energy: 0.016928221302843504
Energy: 1.2510589539729968
Energy: 0.10999467062203054
Energy: 1.2510589539729968
Energy: 1.0535977294953454
Energy: 0.10999467062203054
Energy: 0.01647673139908313
Energy: 0.016928221302843504
Energy: 0.10999467062203054
Energy: 1.2510589539711388
Energy: 0.016928221302843504
Energy: 1.2510589539717698

minimum gb energy = 0.01647673139908313 eV
minimum distance =  2.50712570454438 Angstroms
sigma value = 1


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

Energy: 0.9792008178963134
Energy: 0.7554401720990742
Energy: 0.7910543606697381
Energy: 0.788453671469553
Energy: 0.881174997850084
Energy: 0.8429569018277794
Energy: 0.777109712840458
Energy: 0.8429569018277794
Energy: 0.7779849063838319
Energy: 0.775734311030735
Energy: 0.8265032383703219
Energy: 0.775734311030735
Energy: 0.819063839752564
Energy: 0.8199746195407065
Energy: 0.7774716305924783
Energy: 0.8199746195414717
Energy: 0.8897226392384516
Energy: 0.8201796387164016
Energy: 0.8185364720061971
Energy: 0.8201796387164016
Energy: 0.8165899056060911
Energy: 0.9846852336115657
Energy: 0.8174544187413528
Energy: 0.9846852336092702
Energy: 0.817775426533157
Energy: 0.9863038599799177
Energy: 0.8866869283109867
Energy: 0.9863038599806828
Energy: 0.8942579538160595
Energy: 0.9865926026595185
Energy: 0.8219266195543729
Energy: 0.9865926026587534
Energy: 0.8223544848906126
Energy: 1.0773214999674263
Energy: 0.8201153722419856
Energy: 1.077321499966661
Energy: 0.8830310402147983
Energy: 1.0760477982281984
Energy: 0.8926722672608015
Energy: 1.0760477982274332
Energy: 0.8821790806986561
Energy: 1.0769485447342302
Energy: 0.8213833237494508
Energy: 1.0769485447342302
Energy: 0.8910620527334254
Energy: 1.0754299374070535
Energy: 0.8238228778330634
Energy: 1.0754299374070535
Energy: 0.8173407592083146
Energy: 0.986070485627456
Energy: 0.8822465109522148
Energy: 0.9860704856266909
Energy: 0.8187148648867464
Energy: 0.9893417568674114
Energy: 0.8828122535653793
Energy: 0.9893417568666464
Energy: 0.8848277502131627
Energy: 0.8198625031976723
Energy: 0.818277275054884
Energy: 0.8198625031984375
Energy: 0.8112721268858418
Energy: 0.8200982063516872
Energy: 0.8174345085156438
Energy: 0.8200982063516872
Energy: 0.7768145559772818
Energy: 0.774792644191601
Energy: 0.7547016538027372
Energy: 0.7747926441908358
Energy: 0.778476473293489
Energy: 0.8186267568172344
Energy: 0.7971693444204484
Energy: 0.8186267568187647
Energy: 0.8263360274811278
Energy: 0.7788945926331678
Energy: 0.7795222349646723
Energy: 0.7788945926316374
Energy: 0.8219986577261948
Energy: 0.8176023185813609
Energy: 0.8190567440587374
Energy: 0.8176023185790654
Energy: 0.8204918099062434
Energy: 0.8174030425336116
Energy: 0.8900122684062111
Energy: 0.8174030425343768
Energy: 0.8174818401740855
Energy: 0.8191687707231241
Energy: 0.7761305553564226
Energy: 0.8191687707238893
Energy: 0.8860718796002666
Energy: 0.9865420254090173
Energy: 0.8809358441164333
Energy: 0.9865420254097823
Energy: 0.8213774884144157
Energy: 0.9843905421103183
Energy: 0.8937476573818093
Energy: 0.9843905421118485
Energy: 0.8197909830358271
Energy: 1.0787609626104537
Energy: 0.8225862754635364
Energy: 1.0787609626104537
Energy: 0.8954243817039517
Energy: 1.0763258845141812
Energy: 0.8853902910140566
Energy: 1.0763258845149462
Energy: 0.8216811510457879
Energy: 1.077285595909796
Energy: 0.88206261706923
Energy: 1.0772855959105614
Energy: 0.8760648741951439
Energy: 1.0763462883068704
Energy: 0.8881281783223048
Energy: 1.0763462883068704
Energy: 0.8820256905495709
Energy: 0.9864029717795795
Energy: 0.8179655804868432
Energy: 0.9864029717795795
Energy: 0.8835623488350257
Energy: 0.9902051557480753
Energy: 0.8176758093817968
Energy: 0.9902051557488405
Energy: 0.8193013773548915
Energy: 0.8188096355225906
Energy: 0.8851508547117902
Energy: 0.818809635524121
Energy: 0.817443800176211
Energy: 0.819653865481747
Energy: 0.75208426126464
Energy: 0.819653865481747
Energy: 0.7547729555514582
Energy: 0.7747279006081713
Energy: 0.7756334356316528
Energy: 0.7747279006074062

minimum gb energy = 0.75208426126464 eV
minimum distance =  2.25395688533976 Angstroms
sigma value = 1


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

Energy: 1.8820770264264437
Energy: 0.811176499585722
Energy: 0.8479866112868709
Energy: 0.8457556419826238
Energy: 0.9554631030170334
Energy: 0.904644560070441
Energy: 0.8331799574213571
Energy: 0.9046445600695684
Energy: 0.8314067701017006
Energy: 0.8310671677125159
Energy: 0.9507436315401344
Energy: 0.8310671677116435
Energy: 0.8813351723262282
Energy: 0.8854228143573488
Energy: 0.833615656352893
Energy: 0.8854228143564764
Energy: 0.9456480874347328
Energy: 0.8842578301140739
Energy: 0.8821549987955912
Energy: 0.8842578301140739
Energy: 0.8811239225277635
Energy: 1.0316665652343973
Energy: 0.8819753854503067
Energy: 1.0316665652326524
Energy: 0.8808034999359359
Energy: 1.067654527436468
Energy: 0.8838572782622971
Energy: 1.0676545274355955
Energy: 0.965961339074022
Energy: 1.0674935155101934
Energy: 0.8812228878045708
Energy: 1.067493515513683
Energy: 0.8826417027157308
Energy: 1.1540715204653273
Energy: 0.8070013429699653
Energy: 1.1540715204600926
Energy: 0.8830617455579706
Energy: 1.153726039718789
Energy: 0.9659891613872721
Energy: 1.1537260397196614
Energy: 0.9464623775724028
Energy: 1.0681635080390381
Energy: 0.8807569558095042
Energy: 1.068163508040783
Energy: 0.9518273690370683
Energy: 1.0677349138883456
Energy: 0.8298699335339181
Energy: 1.0677349138866006
Energy: 0.8821033507317138
Energy: 0.8832363298011916
Energy: 0.9512658164998435
Energy: 0.883236329805554
Energy: 0.8816727979006289
Energy: 0.8837269883537326
Energy: 0.8055490046430208
Energy: 0.8837269883511153
Energy: 0.9437442108975056
Energy: 0.828067653641925
Energy: 0.8314059951158556
Energy: 0.8280676536393077
Energy: 0.8529363708734085
Energy: 0.8823466407631968
Energy: 0.8338706295508307
Energy: 0.8823466407614519
Energy: 0.8358444589009535
Energy: 0.835744343678967
Energy: 0.9505465098612842
Energy: 0.8357443436772222
Energy: 0.8813261267020003
Energy: 0.8824486736624036
Energy: 0.8842363524540731
Energy: 0.882448673661531
Energy: 0.9456353833350196
Energy: 0.8816673713925544
Energy: 0.882438049933149
Energy: 0.8816673713951717
Energy: 0.8333883012407551
Energy: 0.8839666178996624
Energy: 0.8818996119208672
Energy: 0.8839666178979176
Energy: 0.8811957441743837
Energy: 1.0677154035707033
Energy: 0.8841706495241064
Energy: 1.0677154035698306
Energy: 0.9645884863756107
Energy: 1.067201197592638
Energy: 0.8815042407184631
Energy: 1.0672011975908933
Energy: 0.8835772738114929
Energy: 1.154861073256978
Energy: 0.8102471432129235
Energy: 1.154861073256978
Energy: 0.8815326870926973
Energy: 1.1533536089139371
Energy: 0.9547466561384312
Energy: 1.1533536089139371
Energy: 0.9457261779863674
Energy: 1.0684324736699686
Energy: 0.8806244006480162
Energy: 1.0684324736717135
Energy: 0.952271356587908
Energy: 1.0668824129402052
Energy: 0.8823388624278643
Energy: 1.0668824129393328
Energy: 0.8832749909090243
Energy: 0.8832296305382108
Energy: 0.9500734209507479
Energy: 0.8832296305390832
Energy: 0.8828145304253137
Energy: 0.8828354829268723
Energy: 0.8716852350320333
Energy: 0.882835482926
Energy: 0.8773512367150474
Energy: 0.8285599832108927
Energy: 0.8308766113140637
Energy: 0.8285599832091478

minimum gb energy = 0.8055490046430208 eV
minimum distance =  2.25011469682545 Angstroms
sigma value = 25


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

Energy: 1.1441278753216193
Energy: 0.8769412147542135
Energy: 0.9184949219170695
Energy: 0.9169901062893896
Energy: 0.9928874686126667
Energy: 0.9789875496691125
Energy: 0.9023368592902333
Energy: 0.9789875496701267
Energy: 0.8973875076320418
Energy: 0.8966258656885833
Energy: 0.9620628852697817
Energy: 0.8966258656885833
Energy: 0.8956760829745835
Energy: 0.9614379848019934
Energy: 0.9041176332676129
Energy: 0.9614379848030076
Energy: 0.9531658089647014
Energy: 0.9618098467223954
Energy: 0.9600565092912672
Energy: 0.9618098467213813
Energy: 0.9596654474209437
Energy: 1.1718544757047653
Energy: 0.9601216420949444
Energy: 1.1718544757047653
Energy: 0.9589801553859093
Energy: 1.166627656857218
Energy: 0.9612527001182026
Energy: 1.166627656857218
Energy: 1.0561027736963016
Energy: 1.1654397934947367
Energy: 1.0107272646100853
Energy: 1.1654397934947367
Energy: 0.9589468634812596
Energy: 1.166742112056379
Energy: 0.8693202050220682
Energy: 1.166742112055365
Energy: 1.0344692881177011
Energy: 1.1666964266188933
Energy: 0.9597686282459532
Energy: 1.1666964266199074
Energy: 1.013101277670099
Energy: 0.962094903783328
Energy: 0.9599626593480765
Energy: 0.962094903783328
Energy: 0.9445498043476556
Energy: 0.9599055716871666
Energy: 0.9605436972733391
Energy: 0.9599055716871666
Energy: 0.8990276745933384
Energy: 0.8960355395277063
Energy: 1.020839607316179
Energy: 0.8960355395266921
Energy: 0.9022599452102203
Energy: 0.9598813536286215
Energy: 0.9238743540580546
Energy: 0.9598813536286215
Energy: 0.9608697059040897
Energy: 0.9030709912893119
Energy: 0.9056629166768183
Energy: 0.9030709912893119
Energy: 1.0405117973220441
Energy: 0.9591619995003777
Energy: 0.8991645031733215
Energy: 0.9591619995003777
Energy: 0.9604800289621258
Energy: 0.9594313913617459
Energy: 0.9540975117684303
Energy: 0.95943139136276
Energy: 0.9602444367367876
Energy: 0.9616241235993895
Energy: 0.8971376269215889
Energy: 0.9616241236014179
Energy: 0.9610698100413998
Energy: 1.177252398112717
Energy: 0.9589999442508905
Energy: 1.177252398112717
Energy: 0.947044451944235
Energy: 1.1672172810503891
Energy: 0.959322413172614
Energy: 1.1672172810514034
Energy: 0.8693473624512545
Energy: 1.1685369428551535
Energy: 0.9586965994682848
Energy: 1.1685369428551535
Energy: 0.9643302983196937
Energy: 1.1669239570061283
Energy: 0.9590765366376134
Energy: 1.1669239570061283
Energy: 0.9610685012648436
Energy: 0.9616470808154053
Energy: 1.0135649111800424
Energy: 0.9616470808154053
Energy: 0.9596809396119964
Energy: 0.9619984821795716
Energy: 0.9440912215361633
Energy: 0.961998482180586
Energy: 1.0208602721275462
Energy: 0.8962236461756505
Energy: 0.8975491475903196
Energy: 0.8962236461766648

minimum gb energy = 0.8693202050220682 eV
minimum distance =  2.24887629717001 Angstroms
sigma value = 9


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

Energy: 1.2171499407605841
Energy: 0.955942783225838
Energy: 1.001954630523143
Energy: 0.9744735956652144
Energy: 1.0952955231520696
Energy: 1.06456832301363
Energy: 0.9867939564685269
Energy: 1.0645683230148397
Energy: 0.9756929005574912
Energy: 0.9757751511355146
Energy: 1.0592169442228585
Energy: 0.9757751511367246
Energy: 0.9749600559313795
Energy: 1.060177454888613
Energy: 1.058650007613567
Energy: 1.060177454888613
Energy: 1.1449132076405515
Energy: 1.0591415564143822
Energy: 1.059146556331016
Energy: 1.0591415564131723
Energy: 1.1354409922657946
Energy: 1.1328419395723384
Energy: 1.0589662413366434
Energy: 1.1328419395723384
Energy: 1.1674278279962622
Energy: 1.318364828363411
Energy: 1.056899489009861
Energy: 1.318364828363411
Energy: 1.0783713660311873
Energy: 1.3207088182037894
Energy: 1.1315750469555281
Energy: 1.3207088182037894
Energy: 1.059016131753526
Energy: 1.0592238302609849
Energy: 0.9438383042211427
Energy: 1.0592238302597747
Energy: 1.058816204999827
Energy: 1.0596885483628768
Energy: 1.0254366604204503
Energy: 1.0596885483628768
Energy: 1.10324766524831
Energy: 0.9753396512697702
Energy: 0.9755252177828393
Energy: 0.9753396512697702
Energy: 1.0942431425108246
Energy: 1.06081421700812
Energy: 0.9866740114506549
Energy: 1.0608142170069104
Energy: 0.9883253352246024
Energy: 0.9862011617404072
Energy: 1.0598500786867893
Energy: 0.9862011617416171
Energy: 0.9747205340328784
Energy: 1.0573369877074434
Energy: 1.0601090530187474
Energy: 1.0573369877062333
Energy: 1.1450773974757598
Energy: 1.057307048297596
Energy: 1.0596431488876354
Energy: 1.057307048297596
Energy: 1.1337121819097216
Energy: 1.05975744820678
Energy: 1.059478998963704
Energy: 1.05975744820678
Energy: 1.1634248625289405
Energy: 1.3227684968246414
Energy: 1.0569282763364403
Energy: 1.3227684968246414
Energy: 1.1632660664372834
Energy: 1.3199490831878324
Energy: 1.1335746311017656
Energy: 1.3199490831878324
Energy: 1.0601508855582378
Energy: 1.0601012872460411
Energy: 0.957964811605175
Energy: 1.0601012872460411
Energy: 1.0594022781296855
Energy: 1.060225887371166
Energy: 1.025513044450787
Energy: 1.060225887371166
Energy: 1.0332512476188302
Energy: 0.9756457924866889
Energy: 0.9768715162232426
Energy: 0.9756457924854791

minimum gb energy = 0.9438383042211427 eV
minimum distance =  2.24962421270675 Angstroms
sigma value = 25


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

Energy: 1.3288461597786598
Energy: 1.0598080135049082
Energy: 1.1305088016289437
Energy: 1.0927996270518672
Energy: 1.098268892224025
Energy: 1.136540263867074
Energy: 1.1041125522747415
Energy: 1.136540263867074
Energy: 1.0935392191285387
Energy: 1.0927538007339912
Energy: 1.1115209447450456
Energy: 1.0927538007339912
Energy: 1.0918626615984162
Energy: 1.1371682003494914
Energy: 1.076519067665383
Energy: 1.1371682003479948
Energy: 1.078679794807982
Energy: 1.2588969822007217
Energy: 1.0767677529912347
Energy: 1.2588969822007217
Energy: 1.0502563655243065
Energy: 1.2579824653419218
Energy: 1.0771453305702374
Energy: 1.2579824653419218
Energy: 1.0469743932003688
Energy: 1.2578835932172645
Energy: 1.0790692293479685
Energy: 1.257883593215768
Energy: 1.0467236463825005
Energy: 1.2583647140554481
Energy: 1.0789806937167523
Energy: 1.2583647140554481
Energy: 1.0934058071710637
Energy: 1.092894556611129
Energy: 1.1329945301105318
Energy: 1.092894556611129
Energy: 1.104277408593613
Energy: 1.0929031591167573
Energy: 1.0984450553361698
Energy: 1.0929031591167573
Energy: 1.0993829986459753
Energy: 1.0920560945185616
Energy: 1.1070728737304885
Energy: 1.0920560945170654
Energy: 1.0976867869717992
Energy: 1.0919928305576867
Energy: 1.093034528583341
Energy: 1.0919928305576867
Energy: 1.0769020312576674
Energy: 1.2649171109003923
Energy: 1.0783935055293126
Energy: 1.2649171109003923
Energy: 1.0769419883041713
Energy: 1.2583917066528705
Energy: 1.0514130789144014
Energy: 1.2583917066543668
Energy: 1.0770727534783409
Energy: 1.2575595492869938
Energy: 1.0462668833992488
Energy: 1.2575595492869938
Energy: 1.0770754952627837
Energy: 1.257911554119505
Energy: 1.0467535007024653
Energy: 1.2579115541209671
Energy: 1.1296540035748244
Energy: 1.0923526538562403
Energy: 1.0928063789098499
Energy: 1.0923526538577364

minimum gb energy = 1.0462668833992488 eV
minimum distance =  2.25543623625014 Angstroms
sigma value = 17


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

Energy: 1.9731192471471732
Energy: 1.1532489154659609
Energy: 1.2188152513712853
Energy: 1.172751485436835
Energy: 1.1486477546119784
Energy: 1.1181676892425063
Energy: 1.1888411714052927
Energy: 1.1181676892425063
Energy: 1.118566121434097
Energy: 1.1185551096802195
Energy: 1.1744458330785488
Energy: 1.1185551096802195
Energy: 1.1186655202462121
Energy: 1.343602542707582
Energy: 1.1173784525313963
Energy: 1.3436025427084293
Energy: 1.2092039998711173
Energy: 1.3957684110914588
Energy: 1.2522929623399834
Energy: 1.3957684110914588
Energy: 1.1204807433282487
Energy: 1.3289720680741703
Energy: 1.1209125731928404
Energy: 1.3289720680741703
Energy: 1.1423608115348938
Energy: 1.117698410000039
Energy: 1.1210453768174573
Energy: 1.117698410000039
Energy: 1.1982990907031426
Energy: 1.1175439443253359
Energy: 1.1399849539564453
Energy: 1.1175439443253359
Energy: 1.1885899857325166
Energy: 1.1707727153705278
Energy: 1.179040632067675
Energy: 1.170772715368833
Energy: 1.1721556125099826
Energy: 1.1703917317273411
Energy: 1.1933594070197837
Energy: 1.1703917317273411
Energy: 1.2088173167074747
Energy: 1.1822574020287513
Energy: 1.1159731872431484
Energy: 1.1822574020287513
Energy: 1.1703029637419315
Energy: 1.1809909957421432
Energy: 1.176381036401875
Energy: 1.1809909957421432
Energy: 1.1392328809484584
Energy: 1.1816832175526082
Energy: 1.1770946718337856
Energy: 1.1816832175517609
Energy: 1.139070842401925
Energy: 1.1815605723812783
Energy: 1.116022837106891
Energy: 1.1815605723821259
Energy: 1.1707394351039462
Energy: 1.169186670839899
Energy: 1.2043388835389888
Energy: 1.1691866708407466
Energy: 1.1899444359423688
Energy: 1.1694439631196505
Energy: 1.2044381633675745
Energy: 1.1694439631204978
Energy: 1.1750448398392555
Energy: 1.1186077664560434
Energy: 1.140766659761073
Energy: 1.1186077664560434
Energy: 1.1744730742062772
Energy: 1.118249616107477
Energy: 1.118811728346001
Energy: 1.1182496161057822
Energy: 1.117813012423112
Energy: 1.3203933720973584
Energy: 1.2093723548683546
Energy: 1.3203933720973584
Energy: 1.2602113329099063
Energy: 1.3284265880565576
Energy: 1.1177145357187797
Energy: 1.3284265880557102
Energy: 1.1184543502115583
Energy: 1.118173664523239
Energy: 1.1981644323937901
Energy: 1.118173664523239
Energy: 1.1423407286357508
Energy: 1.1406714453378266
Energy: 1.1424560471283958
Energy: 1.1406714453361315
Energy: 1.1579974215791544
Energy: 1.1704826265467603
Energy: 1.1889583694418537
Energy: 1.170482626548455
Energy: 1.1792229091059088
Energy: 1.1702847515918635
Energy: 1.1703820823926605
Energy: 1.1702847515901689
Energy: 1.1158600181987615
Energy: 1.1805195656350422
Energy: 1.171333910046328
Energy: 1.1805195656350422
Energy: 1.1765591478862787
Energy: 1.1807364270894782
Energy: 1.210844528833342
Energy: 1.1807364270894782
Energy: 1.1152140306883842
Energy: 1.256200285358296
Energy: 1.1406950119279011
Energy: 1.256200285358296
Energy: 1.177099443689345
Energy: 1.1838816266773242
Energy: 1.1388903677231834
Energy: 1.1838816266773242
Energy: 1.1777525683857768
Energy: 1.342722571096004
Energy: 1.1390844340393629
Energy: 1.3427225710951567
Energy: 1.2040603863947408
Energy: 1.1700824923313256
Energy: 1.1690762686982836
Energy: 1.1700824923330204

minimum gb energy = 1.1152140306883842 eV
minimum distance =  2.2598080218338 Angstroms
sigma value = 53


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

Energy: 1.7845760215103936
Energy: 1.1189626217425308
Energy: 1.165399755940506
Energy: 1.1666048530494686
Energy: 1.2198971179976343
Energy: 1.1654940605691377
Energy: 1.1679826711646477
Energy: 1.1654940605691377
Energy: 1.1657665093253404
Energy: 1.1667761038255597
Energy: 1.1862156282281335
Energy: 1.1667761038255597
Energy: 1.167435766777436
Energy: 1.1803328570173603
Energy: 1.1661770840709629
Energy: 1.1803328570193112
Energy: 1.184907942399222
Energy: 1.1799638397548882
Energy: 1.1012620481945266
Energy: 1.1799638397548882
Energy: 1.1651911899973226
Energy: 1.1812011572132113
Energy: 1.1015288206973668
Energy: 1.1812011572132113
Energy: 1.2156524023168835
Energy: 1.1657318562577743
Energy: 1.1658736298678454
Energy: 1.1657318562558234
Energy: 1.2161281491831262
Energy: 1.1662071909812832
Energy: 1.1651783328259162
Energy: 1.166207190983234
Energy: 1.1673369959522204
Energy: 1.1663801207069775
Energy: 1.1887602429805562
Energy: 1.1663801207069775
Energy: 1.1666855894152603
Energy: 1.1652875301479266
Energy: 1.1658442865168657
Energy: 1.1652875301479266
Energy: 1.1854229135084347
Energy: 1.183110345560553
Energy: 1.1019041414205664
Energy: 1.183110345560553
Energy: 1.1679726793951593
Energy: 1.1798972369710066
Energy: 1.1048858785343698
Energy: 1.1798972369710066
Energy: 1.2161173459453722
Energy: 1.165940884165548
Energy: 1.1652853941184165
Energy: 1.1659408841635972

minimum gb energy = 1.1012620481945266 eV
minimum distance =  2.25734921613076 Angstroms
sigma value = 9


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

Energy: 1.685876010590631
Energy: 1.1843410969872652
Energy: 1.2900891983441423
Energy: 1.212705545662204
Energy: 1.236955421695926
Energy: 1.1548933721506183
Energy: 1.2950206216147726
Energy: 1.1548933721506183
Energy: 1.1565758902590808
Energy: 1.1573223590802975
Energy: 1.2109090279184804
Energy: 1.1573223590802975
Energy: 1.1598933997476062
Energy: 1.1563287091912577
Energy: 1.2781538443805296
Energy: 1.1563287091905359
Energy: 1.1578049402118151
Energy: 1.1552853897035782
Energy: 1.2494139832633677
Energy: 1.1552853897028563
Energy: 1.2128628657547862
Energy: 1.1556240399212694
Energy: 1.2489118884080403
Energy: 1.1556240399212694
Energy: 1.2936233058719806
Energy: 1.2094408095877935
Energy: 1.288593033788046
Energy: 1.2094408095885154
Energy: 1.2939663570437445
Energy: 1.2094328862948298
Energy: 1.2103570992546966
Energy: 1.209432886294108
Energy: 1.1513327128093311
Energy: 1.259029398425794
Energy: 1.1890464701745769
Energy: 1.2590293984243501
Energy: 1.1795980589823236
Energy: 1.1902042374419086
Energy: 1.2124860660839674
Energy: 1.1902042374433526
Energy: 1.1480044002728131
Energy: 1.148461593238203
Energy: 1.321197489516255
Energy: 1.1484615932374809
Energy: 1.2364358459058833
Energy: 1.2010829252042747
Energy: 1.253178159854511
Energy: 1.2010829252049968
Energy: 1.290353230204331
Energy: 1.1489749335395378
Energy: 1.3120354296522387
Energy: 1.1489749335395378
Energy: 1.2902367200447373
Energy: 1.1487480960694276
Energy: 1.1521660434330645
Energy: 1.1487480960694276
Energy: 1.2079976777813208
Energy: 1.189586065438304
Energy: 1.1848509198404045
Energy: 1.189586065438304
Energy: 1.1658301486822924
Energy: 1.3734157299278056
Energy: 1.185132844666481
Energy: 1.3734157299278056
Energy: 1.214212533272472
Energy: 1.2347006656903416
Energy: 1.151670351751433
Energy: 1.2347006656910635
Energy: 1.2075620314193525
Energy: 1.2097616661586914
Energy: 1.2579256473989753
Energy: 1.2097616661594137
Energy: 1.2932832204463622
Energy: 1.2088975248135572
Energy: 1.2893993769601066
Energy: 1.2088975248135572
Energy: 1.2118216917160747
Energy: 1.157810468946994
Energy: 1.1573124426772117
Energy: 1.157810468946994
Energy: 1.2791120057005123
Energy: 1.1561765202647196
Energy: 1.1592598177484041
Energy: 1.1561765202647196
Energy: 1.2491377799245365
Energy: 1.1551204887761954
Energy: 1.1562721071015776
Energy: 1.1551204887761954
Energy: 1.2492634266997487
Energy: 1.1557835252688624
Energy: 1.212063151631416
Energy: 1.1557835252674182
Energy: 1.288366149739688
Energy: 1.2092371176714274
Energy: 1.2937067222094767
Energy: 1.2092371176721493
Energy: 1.211657576506327
Energy: 1.2090177172281573
Energy: 1.2938648926532383
Energy: 1.2090177172281573
Energy: 1.1875390250153652
Energy: 1.2600118664672955
Energy: 1.1498939114176365
Energy: 1.2600118664651296
Energy: 1.2143479244249518
Energy: 1.1893546820780079
Energy: 1.1791846392431717
Energy: 1.1893546820765637
Energy: 1.3211268177558175
Energy: 1.1483740057113816
Energy: 1.1490080973661618
Energy: 1.1483740057121037
Energy: 1.2531247004526305
Energy: 1.2346651137450722
Energy: 1.187648947369833
Energy: 1.2346651137443503
Energy: 1.3142539934523432
Energy: 1.1490220802459807
Energy: 1.290546999353498
Energy: 1.1490220802459807
Energy: 1.1532027038021013
Energy: 1.1493402111666053
Energy: 1.2137445638632567
Energy: 1.1493402111673274
Energy: 1.156204360745613
Energy: 1.1524144204309463
Energy: 1.208587170073756
Energy: 1.1524144203702953
Energy: 1.185857695813758
Energy: 1.3714923938936916
Energy: 1.1656395519081306
Energy: 1.3714923938936916
Energy: 1.1503040597614802
Energy: 1.2351956608397532
Energy: 1.172813073873458
Energy: 1.2351956608397532
Energy: 1.2577965862769631
Energy: 1.2100723009236225
Energy: 1.2163041949879045
Energy: 1.2100723009236225

minimum gb energy = 1.1480044002728131 eV
minimum distance =  2.26552606528543 Angstroms
sigma value = 73


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

Energy: 1.257403965091452
Energy: 1.1495435022563225
Energy: 1.1628334962913502
Energy: 1.1641089687011767
Energy: 1.175329561625702
Energy: 1.3457875479575292
Energy: 1.1844000004345463
Energy: 1.3457875479575292
Energy: 1.1469823438500069
Energy: 1.151665562362588
Energy: 1.1848441494691757
Energy: 1.1516655623614425
Energy: 1.1517214424394342
Energy: 1.1521622157105613
Energy: 1.2146737067386182
Energy: 1.1521622157117066
Energy: 1.1587200875914778
Energy: 1.1568541199991056
Energy: 1.246481177586866
Energy: 1.1568541199991056
Energy: 1.1805231866304686
Energy: 1.4102390222223942
Energy: 1.2463866338838432
Energy: 1.4102390222212486
Energy: 1.210338672404308
Energy: 1.191717631218166
Energy: 1.2445350520071123
Energy: 1.191717631218166
Energy: 1.2104316487372575
Energy: 1.1903355083173783
Energy: 1.1917001569138748
Energy: 1.1903355083162326
Energy: 1.1612096367416165
Energy: 1.2300617853315872
Energy: 1.1918930514270671
Energy: 1.2300617853315872
Energy: 1.1826638354883976
Energy: 1.3753192302810269
Energy: 1.1933949150202678
Energy: 1.3753192302810269
Energy: 1.162788633002929
Energy: 1.101622849974176
Energy: 1.105547925092621
Energy: 1.1016228499753216
Energy: 1.1749003802283975
Energy: 1.1041437061585961
Energy: 1.2172020335258351
Energy: 1.1041437061585961
Energy: 1.1853052583959756
Energy: 1.3432856003417424
Energy: 1.1974395638486361
Energy: 1.3432856003417424
Energy: 1.185135832100686
Energy: 1.1465256812431388
Energy: 1.1459999602395752
Energy: 1.1465256812431388
Energy: 1.2088615744959847
Energy: 1.1841597276051568
Energy: 1.1485054807155046
Energy: 1.1841597276051568
Energy: 1.2466075370018905
Energy: 1.1821336002473075
Energy: 1.179536652625991
Energy: 1.1821336002461618
Energy: 1.2463881517092321
Energy: 1.1807429343841351
Energy: 1.191106109248772
Energy: 1.1807429343841351
Energy: 1.1919582678414122
Energy: 1.2345490472005354
Energy: 1.211051211247916
Energy: 1.2345490472016811
Energy: 1.1710905328030214
Energy: 1.1692796277343307
Energy: 1.2099947858454982
Energy: 1.1692796277343307
Energy: 1.2189385399177393
Energy: 1.281318207003406
Energy: 1.162848497509303
Energy: 1.281318207003406
Energy: 1.168974169535602
Energy: 1.3871274761005372
Energy: 1.1830860335054465
Energy: 1.3871274760993917
Energy: 1.256436137284905
Energy: 1.1628660993909719
Energy: 1.1655301093519546
Energy: 1.1628660993909719

minimum gb energy = 1.101622849974176 eV
minimum distance =  2.25667772902628 Angstroms
sigma value = 7


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

Energy: 1.3579792958969237
Energy: 1.135527049789808
Energy: 1.270091011191411
Energy: 1.1637511298822194
Energy: 1.2408333310757358
Energy: 1.3472133353144138
Energy: 1.255406956080928
Energy: 1.3472133353144138
Energy: 1.135186870252973
Energy: 1.1826776593242712
Energy: 1.2241463953400373
Energy: 1.1826776593258914
Energy: 1.139738475958914
Energy: 1.1823584571941543
Energy: 1.25175574421389
Energy: 1.1823584571949644
Energy: 1.1356397468021926
Energy: 1.1322529100364034
Energy: 1.2117309486302181
Energy: 1.1322529100364034
Energy: 1.2856643749277286
Energy: 1.1318196786508905
Energy: 1.2168930806677274
Energy: 1.1318196786508905
Energy: 1.254104481509865
Energy: 1.1329095639322064
Energy: 1.2835462221631373
Energy: 1.1329095639322064
Energy: 1.254365791621283
Energy: 1.131914025854237
Energy: 1.1327334676334864
Energy: 1.131914025851807
Energy: 1.253798615188047
Energy: 1.1797553201900126
Energy: 1.1802333308388335
Energy: 1.1797553201932525
Energy: 1.2067636012899627
Energy: 1.4815742954364288
Energy: 1.1338250242444183
Energy: 1.4815742954364288
Energy: 1.2520514332587438
Energy: 1.1628486907268196
Energy: 1.2852016095538625
Energy: 1.1628486907227693
Energy: 1.1702278622024298
Energy: 1.1642892677765488
Energy: 1.258017035855522
Energy: 1.164289267778169
Energy: 1.1679545079463145
Energy: 1.349171001905431
Energy: 1.1655396849007904
Energy: 1.349171001907051
Energy: 1.164963081677142
Energy: 1.2755419211006511
Energy: 1.2174413048497417
Energy: 1.275541921099031
Energy: 1.1656119998179797
Energy: 1.349076946679376
Energy: 1.1220586430814914
Energy: 1.349076946677756
Energy: 1.2950008658767322
Energy: 1.164362110727624
Energy: 1.1699724327839132
Energy: 1.1643621107308644
Energy: 1.2948912210663686
Energy: 1.1620465806755973
Energy: 1.2528356276256993
Energy: 1.1620465806804572
Energy: 1.1351765718394864
Energy: 1.389207058284229
Energy: 1.2257700194453693
Energy: 1.3892070582793687
Energy: 1.180658864364202
Energy: 1.1803031481263542
Energy: 1.2536162194000895
Energy: 1.1803031481263542
Energy: 1.1318987475646727
Energy: 1.1316746656122298
Energy: 1.2916757753067283
Energy: 1.1316746656106098
Energy: 1.2828594732762535
Energy: 1.1330423602234825
Energy: 1.2119804144119704
Energy: 1.1330423602234825
Energy: 1.2539452106606348
Energy: 1.131766597456221
Energy: 1.285490604828565
Energy: 1.131766597458651
Energy: 1.2538896680469653
Energy: 1.1325406455175624
Energy: 1.134368826952367
Energy: 1.1325406455151326
Energy: 1.252350079023438
Energy: 1.1812797895268798
Energy: 1.1835376744972934
Energy: 1.1812797895276899
Energy: 1.206382565191018
Energy: 1.1826769331463958
Energy: 1.1357884452979718
Energy: 1.1826769331455858
Energy: 1.2107024979365668
Energy: 1.1654717577742566
Energy: 1.1950299522210934
Energy: 1.1654717577742566
Energy: 1.1638546472018867
Energy: 1.1656306104660166
Energy: 1.7954126785967537
Energy: 1.1656306104643963
Energy: 1.164694052385002
Energy: 1.348993492820986
Energy: 1.161028178639988
Energy: 1.348993492820986
Energy: 1.2229169296925368
Energy: 1.276670705108676
Energy: 1.1673214088401513
Energy: 1.2766707051078658
Energy: 1.1628652403027373
Energy: 1.3918784545735463
Energy: 1.2172833219055867
Energy: 1.3918784545727365
Energy: 1.2947759999536714
Energy: 1.1623716907209414
Energy: 1.1668264089219675
Energy: 1.1623716907241814

minimum gb energy = 1.1220586430814914 eV
minimum distance =  2.26490429291206 Angstroms
sigma value = 29


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

Energy: 1.162377940714316
Energy: 1.1637576632115063
Energy: 1.0645947470637898
Energy: 1.2077802109016371
Energy: 1.0609195445124338
Energy: 1.1429456120935142
Energy: 1.0628560848920265
Energy: 1.142945612093232
Energy: 1.0636514182987398
Energy: 1.143143844528189
Energy: 1.1171728057178159
Energy: 1.1431438445284714
Energy: 1.0636431139827247
Energy: 1.0633354651049796
Energy: 1.0616412497170504
Energy: 1.0633354651055438
Energy: 1.06337143660512
Energy: 1.0636025259606416
Energy: 1.0657235260740066
Energy: 1.0636025259600774
Energy: 1.0616732465377063
Energy: 1.1433333713607259
Energy: 1.064182860994256
Energy: 1.143333371361008
Energy: 1.1177021742414923
Energy: 1.1433208684500762
Energy: 1.0620838877133187
Energy: 1.1433208684503584
Energy: 1.0630938123012574
Energy: 1.0652485868982053
Energy: 1.062167296763431
Energy: 1.0652485868982053
Energy: 1.0605511148297087
Energy: 1.1157401549157766
Energy: 1.1164264030625701
Energy: 1.1157401549160586

minimum gb energy = 1.0605511148297087 eV
minimum distance =  2.23357717594329 Angstroms
sigma value = 5


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

Energy: 1.3619681510113633
Energy: 1.0618273720989455
Energy: 1.2364839957803377
Energy: 1.0684574683500196
Energy: 1.2823275111354515
Energy: 1.0517849044642318
Energy: 1.204661206763156
Energy: 1.0517849044627015
Energy: 1.2047661295078627
Energy: 1.1428957804286028
Energy: 1.210054300112809
Energy: 1.142895780429368
Energy: 1.1028259455527083
Energy: 1.07461192757537
Energy: 1.2076656842252125
Energy: 1.07461192757537
Energy: 1.2065343429123592
Energy: 1.0543864201055584
Energy: 1.319898453600193
Energy: 1.0543864201070887
Energy: 1.0558291536760536
Energy: 1.0539893398600628
Energy: 1.3183286036236028
Energy: 1.0539893398592979
Energy: 1.0823095394565845
Energy: 1.0833689727954698
Energy: 1.3101681605658795
Energy: 1.083368972796235
Energy: 1.0526108533415601
Energy: 1.0524778032645052
Energy: 1.3529977939574327
Energy: 1.0524778032660356
Energy: 1.2804467122021657
Energy: 1.284306344460757
Energy: 1.344407765443678
Energy: 1.284306344460757
Energy: 1.2364185970595136
Energy: 1.0507159684967435
Energy: 1.054850046133267
Energy: 1.0507159684967435
Energy: 1.27909156534061
Energy: 1.05096516286285
Energy: 1.05080633132407
Energy: 1.0509651628636154
Energy: 1.3483622059838505
Energy: 1.0520973996768097
Energy: 1.053273976374027
Energy: 1.0520973996775749
Energy: 1.3529107159380576
Energy: 1.0428139601305604
Energy: 1.3117636829988408
Energy: 1.0428139601305604
Energy: 1.2776804119890555
Energy: 1.1005026745385684
Energy: 1.2096029871762026
Energy: 1.1005026745393336
Energy: 1.0650602069475883
Energy: 1.0551598257424886
Energy: 1.2065660544138346
Energy: 1.055159825740958
Energy: 1.052342532629616
Energy: 1.0519196820569168
Energy: 1.314079466906499
Energy: 1.0519196820569168
Energy: 1.051542244015542
Energy: 1.0662748125341752
Energy: 1.071249976237324
Energy: 1.06627481253341
Energy: 1.2035341951163456
Energy: 1.0517515471830379
Energy: 1.2841016535553273
Energy: 1.0517515471830379
Energy: 1.2310676553426192
Energy: 1.143388830540166
Energy: 1.2046223817281059
Energy: 1.1433888305394009
Energy: 1.205802394230812
Energy: 1.0757334730400787
Energy: 1.1036193626346888
Energy: 1.0757334730400787
Energy: 1.317791834122112
Energy: 1.0538383969232323
Energy: 1.2053329947774702
Energy: 1.0538383969224672
Energy: 1.2109616265649186
Energy: 1.0547182268117543
Energy: 1.0580421371620574
Energy: 1.0547182268132846
Energy: 1.311318328027467
Energy: 1.0839421968127658
Energy: 1.0552475064131508
Energy: 1.0839421968127658
Energy: 1.3504857771202727
Energy: 1.0528454542413377
Energy: 1.0524667153931964
Energy: 1.0528454542405723
Energy: 1.3459494485761119
Energy: 1.1084511797278587
Energy: 1.2793101776407159
Energy: 1.1084511797286238
Energy: 1.0519013597546274
Energy: 1.0515113753054235
Energy: 1.2363718101573837
Energy: 1.0515113753061884
Energy: 1.0510579917994525
Energy: 1.0510133826768528
Energy: 1.2800398468194836
Energy: 1.0510133826768528
Energy: 1.0512611455660126
Energy: 1.0506725018529928
Energy: 1.2817213384481416
Energy: 1.0506725018522276
Energy: 1.1679328024378526
Energy: 1.043313451729783
Energy: 1.353218822390576
Energy: 1.0433134517313134
Energy: 1.2080816061497293
Energy: 1.1003067531333783
Energy: 1.2789478223663397
Energy: 1.1003067531341433
Energy: 1.208820077682969
Energy: 1.053942598441645
Energy: 1.0534759635102073
Energy: 1.05394259844088
Energy: 1.3128786150062954
Energy: 1.05344782769887
Energy: 1.053716525233661
Energy: 1.05344782769887
Energy: 1.0692728467469135
Energy: 1.0582838134811718
Energy: 1.0597998369454547
Energy: 1.0582838134811718

minimum gb energy = 1.0428139601305604 eV
minimum distance =  2.27364066418644 Angstroms
sigma value = 1


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

Energy: 1.4284775232061306
Energy: 0.990853061838982
Energy: 1.1821142071112383
Energy: 1.0146465186635334
Energy: 1.327765689160596
Energy: 0.9993407393013379
Energy: 1.2101270619867885
Energy: 0.9993407393023959
Energy: 1.2103373355050406
Energy: 1.1028872740367626
Energy: 1.2085694541395358
Energy: 1.1028872740388784
Energy: 1.033517460770022
Energy: 1.0143014495603415
Energy: 1.2129605465178661
Energy: 1.0143014495624576
Energy: 1.213174621453083
Energy: 1.002037936345856
Energy: 1.3677101009816095
Energy: 1.002037936345856
Energy: 1.0034960422491885
Energy: 1.0017907499719365
Energy: 1.3683523803787783
Energy: 1.0017907499719365
Energy: 1.0120511219055977
Energy: 1.0130099341838548
Energy: 1.3644438323820833
Energy: 1.0130099341849126
Energy: 1.0003663874148319
Energy: 0.9998994923886378
Energy: 1.4045394192020713
Energy: 0.9998994923896958
Energy: 1.3664174184684152
Energy: 1.0667072181970867
Energy: 1.407571161964085
Energy: 1.0667072181981445
Energy: 1.2314774476173254
Energy: 0.9999995247846185
Energy: 1.0010965942639272
Energy: 0.9999995247825024
Energy: 1.364487611416556
Energy: 1.0129470273303167
Energy: 1.0113164321986572
Energy: 1.0129470273292587
Energy: 1.4118242315709792
Energy: 1.0012822294780728
Energy: 1.0018331277872996
Energy: 1.0012822294791306
Energy: 1.4083101538673197
Energy: 1.0027797671472032
Energy: 1.208507527408153
Energy: 1.0027797671461451
Energy: 1.3651107988298088
Energy: 1.013368414311294
Energy: 1.2133310496672636
Energy: 1.013368414309178
Energy: 1.0324548013211907
Energy: 1.1024619664571333
Energy: 1.2108985956951845
Energy: 1.1024619664581912
Energy: 1.010262990613371
Energy: 1.0000671210565706
Energy: 1.368367381101862
Energy: 1.0000671210565706
Energy: 1.0151494924310824
Energy: 1.0126926734905795
Energy: 1.2136060851775865
Energy: 1.0126926734895214
Energy: 1.0001439758531516
Energy: 1.0000190605714387
Energy: 1.3689430230287722
Energy: 1.0000190605693229
Energy: 1.0119790147704646
Energy: 1.012482881519287
Energy: 1.4065206548416211
Energy: 1.012482881519287
Energy: 1.0038277211815394
Energy: 1.0692796712266672
Energy: 1.404511046689698
Energy: 1.0692796712266672
Energy: 1.214380253512251
Energy: 1.0685802179392998
Energy: 1.3646328579459068
Energy: 1.0685802179392998
Energy: 1.2197387693629202
Energy: 1.0003413295493502
Energy: 1.0003010244320691
Energy: 1.0003413295493502
Energy: 1.365446445499883
Energy: 1.01380011536888
Energy: 1.000590977305232
Energy: 1.013800115369938
Energy: 1.4084185506475775
Energy: 1.003703044371116
Energy: 1.0024426453245803
Energy: 1.003703044373232

minimum gb energy = 0.990853061838982 eV
minimum distance =  2.26331183009506 Angstroms
sigma value = 17


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

Energy: 1.5043979264520333
Energy: 0.9842359831079264
Energy: 1.1994621876655551
Energy: 1.0059044180644496
Energy: 1.2076452740876242
Energy: 0.9924083691735678
Energy: 1.1279014187900236
Energy: 0.9924083691748756
Energy: 1.2502225033377246
Energy: 1.2274793774575046
Energy: 1.1366374206199519
Energy: 1.2274793774581585
Energy: 1.257297319251859
Energy: 1.0511766875475625
Energy: 1.1346507581962932
Energy: 1.0511766875475625
Energy: 1.2507636099036017
Energy: 0.9809478766405324
Energy: 1.3775078640430312
Energy: 0.9809478766405324
Energy: 0.9814217865293082
Energy: 0.9817315881396511
Energy: 1.4665582061904927
Energy: 0.981731588140305
Energy: 0.9811777004032954
Energy: 0.9813860249706284
Energy: 1.319604044844527
Energy: 0.9813860249712825
Energy: 0.982949348376328
Energy: 0.9818028792506084
Energy: 1.4999285693963944
Energy: 0.9818028792506084
Energy: 1.3689501975897123
Energy: 0.9820825948216885
Energy: 1.436703492898028
Energy: 0.9820825948229963
Energy: 1.138994701635749
Energy: 1.0505132853107204
Energy: 1.1305463013710553
Energy: 1.0505132853126822
Energy: 1.3694186535583432
Energy: 0.9993822954071101
Energy: 1.012788546340151
Energy: 0.9993822954090719
Energy: 1.465975958817829
Energy: 0.9946523194688345
Energy: 1.132387273856428
Energy: 0.9946523194701422
Energy: 1.4706259121228626
Energy: 0.9990577859983175
Energy: 0.999391805840871
Energy: 0.9990577859996252
Energy: 1.351474431826186
Energy: 0.9992730822490493
Energy: 0.9984363015231997
Energy: 0.9992730822497032
Energy: 1.2554193576322952
Energy: 0.998754733686442
Energy: 0.9932180783879961
Energy: 0.9987547336870958
Energy: 1.493172821932322
Energy: 0.9984183205033612
Energy: 1.4596623323846531
Energy: 0.9984183205020534
Energy: 0.9957160555780767
Energy: 0.9988979380892176
Energy: 1.3796039936969624
Energy: 0.9988979380879098
Energy: 0.9985048612359069
Energy: 0.9997711993543408
Energy: 1.4619370366615376
Energy: 0.9997711993543408
Energy: 0.993242951931082
Energy: 0.9927660314825902
Energy: 1.4351130392750606
Energy: 0.9927660314825902
Energy: 1.1310424991667882
Energy: 1.0000969143878662
Energy: 1.502135719254769
Energy: 1.000096914389174
Energy: 1.1293534061605885
Energy: 0.9973894734050923
Energy: 1.2262622494924391
Energy: 0.9973894734056868
Energy: 1.1311835062887992
Energy: 1.2261140668829726
Energy: 1.2518071182751036
Energy: 1.2261140668842805
Energy: 1.1379573647187449
Energy: 1.0502200686248628
Energy: 1.2550240567010365
Energy: 1.0502200686255168
Energy: 1.3788826540528027
Energy: 0.9811745326220466
Energy: 1.1219642218129315
Energy: 0.9811745326227006
Energy: 1.4640072933632575
Energy: 0.9825139582773924
Energy: 0.9829934579969014
Energy: 0.9825139582787004
Energy: 1.3200565381387905
Energy: 0.9813543637124482
Energy: 0.9803327724122156
Energy: 0.9813543637124482
Energy: 1.502472222016842
Energy: 0.9824587113187555
Energy: 0.984160504241242
Energy: 0.9824587113187555
Energy: 1.4335776347052993
Energy: 0.9819060173286749
Energy: 1.3701818799997696
Energy: 0.9819060173286749
Energy: 1.1303734675367338
Energy: 1.0437781377588953
Energy: 1.1374020062449006
Energy: 1.0437781377575874
Energy: 1.01314858246575
Energy: 0.9995269754673745
Energy: 1.3711205779100815
Energy: 0.9995269754680284
Energy: 1.1341388270513901
Energy: 1.0004522065472166
Energy: 1.4672872372178416
Energy: 1.0004522065465626
Energy: 1.0002661917318623
Energy: 0.9994448229063986
Energy: 1.4684410889444015
Energy: 0.9994448229063986
Energy: 0.9983950238380775
Energy: 0.9992720112504807
Energy: 1.3511822935105744
Energy: 0.9992720112511346
Energy: 0.9940172545206492
Energy: 0.9934772399731112
Energy: 1.258241694851781
Energy: 0.9934772399731112
Energy: 1.4608293378736397
Energy: 0.9987989701026855
Energy: 1.491660864486443
Energy: 0.9987989701039934
Energy: 1.382109174463715
Energy: 0.9934506234857237
Energy: 0.9952617961557307
Energy: 0.9934506234844157
Energy: 1.460141587409448
Energy: 0.9994372125673135
Energy: 0.9982243935071365
Energy: 0.9994372125660057
Energy: 1.4385606296874114
Energy: 0.9933747664071559
Energy: 0.9937735684017244
Energy: 0.9933747664078099

minimum gb energy = 0.9803327724122156 eV
minimum distance =  2.27488649788928 Angstroms
sigma value = 89


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

Energy: 1.939585142017912
Energy: 0.895613235763156
Energy: 0.8919620100947586
Energy: 0.891872471775235
Energy: 1.537430159191609
Energy: 0.9750615358008209
Energy: 0.8957582395505653
Energy: 0.9750615358008209
Energy: 0.8924624607965596
Energy: 0.9746869894192064
Energy: 0.8979972563368896
Energy: 0.9746869894192064
Energy: 0.8886525868935257
Energy: 0.9749477873488407
Energy: 0.8920386706440744
Energy: 0.9749477873488407
Energy: 0.8900054915372817
Energy: 0.88965206490851
Energy: 1.2255366319225567
Energy: 0.889652064906799
Energy: 0.8890827620624988
Energy: 0.8899034665318369
Energy: 1.2237596802651602
Energy: 0.8899034665301259
Energy: 0.8883741046735331
Energy: 0.888721267630558
Energy: 0.8940050338577392
Energy: 0.888721267630558
Energy: 0.891393776499879
Energy: 0.8905085374824783
Energy: 1.5324696475370063
Energy: 0.8905085374824783
Energy: 0.8956978114089599
Energy: 0.8901454299975108
Energy: 1.5391077740087127
Energy: 0.8901454299957997
Energy: 0.9002711794425661
Energy: 0.9758872952804726
Energy: 0.89193602323232
Energy: 0.9758872952804726
Energy: 0.8951485020126689
Energy: 0.9764452484565703
Energy: 0.8868834417777992
Energy: 0.9764452484565703
Energy: 1.223347736069882
Energy: 0.8886018715954265
Energy: 0.8911515352380636
Energy: 0.8886018715954265
Energy: 1.2241829822010637
Energy: 0.8897509656014674
Energy: 0.8901707694721767
Energy: 0.8897509656014674
Energy: 0.8918406308933474
Energy: 0.8885212576412879
Energy: 0.8886689959048005
Energy: 0.8885212576429988
Energy: 1.5355128649885812
Energy: 0.8897901177563214
Energy: 0.890177126049347
Energy: 0.8897901177580324

minimum gb energy = 0.8868834417777992 eV
minimum distance =  2.26422561101402 Angstroms
sigma value = 13


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

Energy: 1.4267859355352077
Energy: 0.8116505766864299
Energy: 1.0672327869164353
Energy: 0.8202205371725012
Energy: 1.413495162144477
Energy: 0.8177233331828082
Energy: 0.9838466552347623
Energy: 0.8177233331835253
Energy: 1.4132722997242835
Energy: 0.8157589459454725
Energy: 0.9783489636608399
Energy: 0.815758945948341
Energy: 1.1549717285926318
Energy: 0.8182229761753832
Energy: 1.1321141056239572
Energy: 0.8182229761761004
Energy: 1.1335466033600023
Energy: 0.8164631875757511
Energy: 1.2762202842292976
Energy: 0.8164631875764682
Energy: 0.9798291605035896
Energy: 0.817198282682413
Energy: 1.2749578975880687
Energy: 0.817198282682413
Energy: 0.9795230095599676
Energy: 0.815939667447872
Energy: 1.13032786899278
Energy: 0.8159396674485891
Energy: 0.9817318869203591
Energy: 0.816301653514932
Energy: 1.560897865567139
Energy: 0.8163016535170835
Energy: 0.8205318056870238
Energy: 0.819961487852641
Energy: 1.4017276358382063
Energy: 0.8199614878519237
Energy: 0.8146502643774025
Energy: 0.815367212901701
Energy: 1.278833152117488
Energy: 0.8153672129045697
Energy: 0.8167183853006297
Energy: 0.820485311107225
Energy: 1.425070579014947
Energy: 0.8204853111007707
Energy: 1.2745295569952149
Energy: 0.8674454461219971
Energy: 1.2788586198364664
Energy: 0.86744544612128
Energy: 1.2768913004489146
Energy: 0.8645576679048536
Energy: 1.2728471454386325
Energy: 0.8645576679034191
Energy: 1.2782447552478853
Energy: 0.8677179975541421
Energy: 1.1516237035377603
Energy: 0.8677179975548595
Energy: 1.556646113838105
Energy: 0.8183208898636103
Energy: 1.132413473795154
Energy: 0.8183208898643275
Energy: 1.555013455048625
Energy: 0.8167229217401721
Energy: 0.8208741626523528
Energy: 0.8167229217408892
Energy: 1.274730660213168
Energy: 0.8158518358865302
Energy: 0.8169104752113555
Energy: 0.8158518358872474
Energy: 1.4233938162289976
Energy: 0.8186229894625383
Energy: 0.8166446333086141
Energy: 0.8186229894625383
Energy: 1.6895458043487221
Energy: 0.8201402241685964
Energy: 0.9769789179896742
Energy: 0.8201402241664448
Energy: 1.28029311354427
Energy: 0.8151722683510445
Energy: 0.9866031079055317
Energy: 0.8151722683531959
Energy: 1.159008586433294
Energy: 0.8170739858740218
Energy: 0.9785232374648855
Energy: 0.817073985874739
Energy: 1.2807735821351467
Energy: 0.8153209109878684
Energy: 1.2750539684441058
Energy: 0.8153209109885857
Energy: 0.9827998427292518
Energy: 0.8189049926336124
Energy: 1.2768092144065777
Energy: 0.8189049926350467
Energy: 0.8207446941159618
Energy: 0.8149542359165858
Energy: 1.1320692514312856
Energy: 0.8149542359158686
Energy: 0.979408550011046
Energy: 0.8164068914135159
Energy: 1.5593706019691795
Energy: 0.8164068914127987
Energy: 0.8151792104220607
Energy: 0.8150140462242268
Energy: 1.556155707509133
Energy: 0.8150140462270953
Energy: 0.815658697880285
Energy: 0.8147751098780209
Energy: 1.27897784942446
Energy: 0.8147751098801722
Energy: 0.820955649880729
Energy: 0.8182635729125222
Energy: 1.4234858146210565
Energy: 0.8182635729089365
Energy: 1.272912099395309
Energy: 0.8152144870121295
Energy: 1.1480203855537132
Energy: 0.8152144870157153
Energy: 0.989244074114905
Energy: 0.8676835927816557
Energy: 1.2733518583046446
Energy: 0.8676835927802216
Energy: 1.2749697598377843
Energy: 0.8702270262227377
Energy: 1.1558628988048012
Energy: 0.8702270262220206
Energy: 1.5545683604285137
Energy: 0.8164489039415307
Energy: 1.1319519977806085
Energy: 0.8164489039415307
Energy: 1.5576243479351757
Energy: 0.8180160302098931
Energy: 0.8244770791742848
Energy: 0.8180160302048731
Energy: 1.394537434323829
Energy: 0.8149500777951179
Energy: 0.815173943509974
Energy: 0.8149500777929664
Energy: 1.6942416879135882
Energy: 0.8164523474939551
Energy: 0.8169351493850993
Energy: 0.8164523474910864

minimum gb energy = 0.8116505766864299 eV
minimum distance =  2.26835462379881 Angstroms
sigma value = 37


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

Energy: 1.4025389242314756
Energy: 0.7174526816388375
Energy: 0.71832862499563
Energy: 0.7172471830291238
Energy: 1.395030365314574
Energy: 0.7161854823018394
Energy: 0.9992664265622633
Energy: 0.7161854823030732
Energy: 1.388021258068201
Energy: 0.7152612820203103
Energy: 0.9982257447282135
Energy: 0.7152612820190763
Energy: 1.3876591739203499
Energy: 0.8067957060002309
Energy: 1.134776154985192
Energy: 0.8067957060002309
Energy: 1.272799397555613
Energy: 0.7114920171233285
Energy: 1.1435280628038367
Energy: 0.7114920171220948
Energy: 0.8634771887970221
Energy: 0.7115723043897924
Energy: 1.3808462258507335
Energy: 0.7115723043897924
Energy: 0.8629941568554765
Energy: 0.710816239368399
Energy: 1.2645121736397102
Energy: 0.7108162393696328
Energy: 0.9943496418905083
Energy: 0.7089729569616313
Energy: 1.628352434589305
Energy: 0.7089729569603975
Energy: 0.8533948852811335
Energy: 0.7086548854465089
Energy: 1.6306684464451733
Energy: 0.7086548854465089
Energy: 0.8533461282907638
Energy: 0.7068007031280192
Energy: 1.2619350715928128
Energy: 0.7068007031280192
Energy: 0.8506196307923061
Energy: 0.852357277037787
Energy: 1.2736973089930095
Energy: 0.8523572770365532
Energy: 1.1309735513207184
Energy: 0.7069360735189838
Energy: 1.261263804409033
Energy: 0.7069360735177499
Energy: 1.1318356302349617
Energy: 0.7065856025384285
Energy: 1.3883427797253287
Energy: 0.7065856025384285
Energy: 1.2722442842254267
Energy: 0.7966230424523484
Energy: 1.387638952780349
Energy: 0.7966230424535821
Energy: 1.1435280628038367
Energy: 0.7991132321855577
Energy: 1.2643339852511029
Energy: 0.7991132321855577
Energy: 1.3808462258507335
Energy: 0.7989783831505757
Energy: 0.8573753423063121
Energy: 0.7989783831518097
Energy: 1.272700939570334
Energy: 0.9863966499217568
Energy: 0.8633986091513638
Energy: 0.9863966499205229
Energy: 1.628352434589305
Energy: 0.7202197022480441
Energy: 0.8555386705751205
Energy: 0.720219702249278
Energy: 1.6306684464451733
Energy: 0.7179423685661939
Energy: 0.7151197069824063
Energy: 0.7179423685661939
Energy: 1.3957505453681442
Energy: 0.7164395993212196
Energy: 0.7167275433988191
Energy: 0.7164395993212196

minimum gb energy = 0.7065856025384285 eV
minimum distance =  2.25585022122861 Angstroms
sigma value = 25


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

Energy: 1.4792547722203715
Energy: 0.6167655262269991
Energy: 0.8832853602052754
Energy: 0.6103091056808345
Energy: 1.4769465495630227
Energy: 0.6080880109205341
Energy: 0.8385436896959206
Energy: 0.6080880109186071
Energy: 1.469132792608526
Energy: 0.6076334261370886
Energy: 0.8388686630663947
Energy: 0.6076334261370886
Energy: 1.0737449714812926
Energy: 0.6102275914415354
Energy: 1.0720025555625097
Energy: 0.6102275914415354
Energy: 1.4726099451831027
Energy: 0.6083927223080801
Energy: 1.268984475232941
Energy: 0.6083927223071166
Energy: 1.066878521612051
Energy: 0.6754075662662223
Energy: 1.2680861742076388
Energy: 0.6754075662681494
Energy: 1.0690149791421555
Energy: 0.6087067877050382
Energy: 1.4728810172035036
Energy: 0.6087067877021477
Energy: 1.0699874138068814
Energy: 0.6100381272085607
Energy: 1.2743563165471217
Energy: 0.6100381272085607
Energy: 0.8391222921895537
Energy: 0.6072927365200855
Energy: 1.665806035748014
Energy: 0.6072927365181586
Energy: 0.8393894030618151
Energy: 0.6079733295559249
Energy: 1.4743210115282002
Energy: 0.6079733295578517
Energy: 0.6121071745457853
Energy: 0.6110067581358812
Energy: 1.2773540917064903
Energy: 0.6110067581358812
Energy: 0.6089729224390329
Energy: 0.6084549632172968
Energy: 1.4746035071626724
Energy: 0.6084549632172968
Energy: 0.6083097540761794
Energy: 0.6089745162424727
Energy: 1.670590997808594
Energy: 0.6089745162424727
Energy: 0.8414318239851718
Energy: 0.6116533843360105
Energy: 1.47667371035267
Energy: 0.6116533843360105
Energy: 0.8387967567761998
Energy: 0.6075510738359292
Energy: 1.4730319808617496
Energy: 0.6075510738349656
Energy: 0.8400213411559808
Energy: 0.6082052801507274
Energy: 1.4712359898908205
Energy: 0.6082052801526542
Energy: 1.2688538495642303
Energy: 0.6087321469201218
Energy: 1.4731212183466538
Energy: 0.6087321469201218
Energy: 0.8425922987583212
Energy: 0.6774724522628575
Energy: 1.2716705438238394
Energy: 0.6774724522628575
Energy: 1.2670245819735144
Energy: 0.6762999339466151
Energy: 1.0683870830564302
Energy: 0.6762999339466151
Energy: 1.4750344071973553
Energy: 0.6094241673893298
Energy: 1.067479975299525
Energy: 0.6094241673902933
Energy: 1.274667563419823
Energy: 0.6112075498269126
Energy: 0.8402898418353493
Energy: 0.6112075498269126
Energy: 1.473852911026014
Energy: 0.6071349133971716
Energy: 0.6096359739973091
Energy: 0.6071349133981351
Energy: 1.666382523009147
Energy: 0.6087590621342064
Energy: 0.8388101438331206
Energy: 0.6087590621351698
Energy: 1.2758459949510115
Energy: 0.6099386325025181
Energy: 0.6100083343502463
Energy: 0.6099386325034816
Energy: 1.4733873178276051
Energy: 0.6075946417708217
Energy: 0.6086622936947063
Energy: 0.6075946417708217
Energy: 1.4727076773502557
Energy: 0.6093341365871399
Energy: 0.6083873228289893
Energy: 0.6093341365881033

minimum gb energy = 0.6071349133971716 eV
minimum distance =  2.27150308919835 Angstroms
sigma value = 41


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

Energy: 1.6156463323793457
Energy: 0.5492749223520852
Energy: 0.8339388012309505
Energy: 0.548939818175675
Energy: 1.6109065001638527
Energy: 0.5445540965428133
Energy: 0.7363092706746991
Energy: 0.5445540965428133
Energy: 1.6051430484412723
Energy: 0.5432050571252208
Energy: 0.7377837178309685
Energy: 0.5432050571252208
Energy: 1.2717071472472843
Energy: 0.54571876650787
Energy: 1.1006043100661909
Energy: 0.5457187665086599
Energy: 1.6065572252430855
Energy: 0.541806892402371
Energy: 1.0988374679497215
Energy: 0.541806892402371
Energy: 1.264764659946233
Energy: 0.5986548380303326
Energy: 1.095933706318801
Energy: 0.5986548380311225
Energy: 1.2683051579578102
Energy: 0.5978561424470398
Energy: 1.4346374701237434
Energy: 0.5978561424486195
Energy: 1.2676086034196552
Energy: 0.599891931702462
Energy: 1.1017617164613147
Energy: 0.599891931702462
Energy: 0.9297062312183425
Energy: 0.5421029856880347
Energy: 1.4339244630292893
Energy: 0.542102985699093
Energy: 0.9293388988885596
Energy: 0.5418395122529329
Energy: 1.608106848479991
Energy: 0.5418395122545128
Energy: 0.7394313314062619
Energy: 0.5474528668826173
Energy: 1.4426327590095118
Energy: 0.5474528668834071
Energy: 0.7371489159993916
Energy: 0.5423484599652791
Energy: 1.6080614479586945
Energy: 0.5423484599636993
Energy: 0.7359606510882348
Energy: 0.5451103506793796
Energy: 1.7711709469634576
Energy: 0.5451103506809594
Energy: 0.5467992892937172
Energy: 0.5468662119889699
Energy: 1.4420706413469184
Energy: 0.5468662119881801
Energy: 0.5423097904721487
Energy: 0.5433280656402459
Energy: 1.6071104246532983
Energy: 0.5433280656402459
Energy: 0.5459185424278049
Energy: 0.5435472606387227
Energy: 1.6081891075905885
Energy: 0.5435472606434619
Energy: 0.740076885919606
Energy: 0.5450993512610977
Energy: 1.6112010846414102
Energy: 0.5450993512603077
Energy: 0.7395796766580329
Energy: 0.543569621103903
Energy: 1.6082737588021283
Energy: 0.5435696211054827
Energy: 0.737042737111932
Energy: 0.5442962278650981
Energy: 1.2678755323634112
Energy: 0.5442962278674678
Energy: 1.0965468451834008
Energy: 0.5431219433541569
Energy: 1.2674349439898922
Energy: 0.5431219433549467
Energy: 1.1012478188475217
Energy: 0.5420543308002953
Energy: 1.4344805753362355
Energy: 0.5420543308010852
Energy: 1.0964481153521695
Energy: 0.5999412021249317
Energy: 1.268696675109134
Energy: 0.5999412021241419
Energy: 1.4342038650353228
Energy: 0.5967968200434566
Energy: 1.2635916175533435
Energy: 0.5967968200442465
Energy: 1.1013324557750102
Energy: 0.6008134532681043
Energy: 1.097206945731506
Energy: 0.600813453269684
Energy: 1.4352972339416599
Energy: 0.5420508681257037
Energy: 0.9343302668326721
Energy: 0.5420508681264935
Energy: 1.4375785207345584
Energy: 0.542884150946504
Energy: 1.096096954589213
Energy: 0.5428841509480838
Energy: 1.4396806197448027
Energy: 0.5444651774450959
Energy: 0.7412148424541448
Energy: 0.5444651774474656
Energy: 1.6067383454911377
Energy: 0.541784876955797
Energy: 0.7383942558501808
Energy: 0.541784876955797
Energy: 1.4398455741164122
Energy: 0.5456405118896046
Energy: 0.739335118394086
Energy: 0.5456405118903945
Energy: 1.4392105580868961
Energy: 0.5433855662219746
Energy: 0.545648200208073
Energy: 0.5433855662211847
Energy: 1.6070988686088212
Energy: 0.5435724732153641
Energy: 0.5423639077215313
Energy: 0.5435724732145741
Energy: 1.6125638675182692
Energy: 0.5462551178717716
Energy: 0.5475076861880537
Energy: 0.5462551178701918

minimum gb energy = 0.541784876955797 eV
minimum distance =  2.2755307128043 Angstroms
sigma value = 15


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

Energy: 1.4897574209050872
Energy: 0.5007194244347378
Energy: 0.8008212792183412
Energy: 0.5037188588829176
Energy: 1.7074411014870134
Energy: 0.4969534680091428
Energy: 0.663460321181387
Energy: 0.49695346801248846
Energy: 1.7707255795360624
Energy: 0.4972913744539187
Energy: 0.6651104619352447
Energy: 0.49729137445324956
Energy: 1.4882349240920778
Energy: 0.5006825747718564
Energy: 0.9767596471624164
Energy: 0.5006825747718564
Energy: 1.7036432702809168
Energy: 0.49562548743635876
Energy: 0.9747566251639778
Energy: 0.495625487437697
Energy: 1.4812109061381307
Energy: 0.4963858013223286
Energy: 0.9723857390991629
Energy: 0.4963858013363804
Energy: 1.1916210269265832
Energy: 0.7754160417714931
Energy: 1.2628236329230564
Energy: 0.7754160417701549
Energy: 1.4117524296253197
Energy: 0.5474683733565321
Energy: 1.0476241417041534
Energy: 0.5474683811116602
Energy: 1.190093804618288
Energy: 0.5480625482988547
Energy: 1.2611811897767944
Energy: 0.5480625476861725
Energy: 1.1887869242794415
Energy: 0.49632760864032277
Energy: 1.5534366726934479
Energy: 0.4963276086249328
Energy: 0.9780029953667109
Energy: 0.5017377980184905
Energy: 1.3425100846698799
Energy: 0.5017377980204979
Energy: 0.9024906644259936
Energy: 0.4974999904619717
Energy: 1.55274983197996
Energy: 0.4974999904619717
Energy: 0.9749139874900161
Energy: 0.49930597844416025
Energy: 1.6274590108098543
Energy: 0.49930597844549857
Energy: 0.6587035293818494
Energy: 0.49906269075099124
Energy: 1.3408719341612958
Energy: 0.4990626907516603
Energy: 0.658993827475568
Energy: 0.49585819845546664
Energy: 1.6342244378148572
Energy: 0.49585819845479745
Energy: 0.653255459251771
Energy: 0.49650649780054057
Energy: 1.6313038849785735
Energy: 0.49650649780120965
Energy: 0.5813889311680828
Energy: 0.4973408568206837
Energy: 1.6327513552726036
Energy: 0.49734085681934537
Energy: 0.5797355950800442
Energy: 0.4945267239399936
Energy: 1.6994381451053777
Energy: 0.4945267239393244
Energy: 0.5841305621154005
Energy: 0.49768350170615433
Energy: 1.4125057419165954
Energy: 0.49768350170749265
Energy: 0.746591160696279
Energy: 0.4976605256138389
Energy: 1.7041991100403917
Energy: 0.49766052561651547
Energy: 0.7536824159549487
Energy: 0.4948400467022145
Energy: 1.6979736599594573
Energy: 0.4948400467008762
Energy: 0.7470751283287836
Energy: 0.49838830139275536
Energy: 1.4868219472024455
Energy: 0.49838830138740225
Energy: 0.9606543149942155
Energy: 0.4974827656023071
Energy: 1.4809714108997432
Energy: 0.49748276560297616
Energy: 0.9700238363604194
Energy: 0.4958718947883103
Energy: 1.4851310519383212
Energy: 0.49587189478964855
Energy: 0.964452841492314
Energy: 0.4985854318905425
Energy: 1.19449241687164
Energy: 0.4985854318885351
Energy: 1.2657658715149462
Energy: 0.7756210609064605
Energy: 1.4863947086068459
Energy: 0.7756210609057915
Energy: 1.0456128263106144
Energy: 0.5463186701557906
Energy: 1.2605164516473817
Energy: 0.5463186701404005
Energy: 1.2676605220875217
Energy: 0.5501843579696334
Energy: 1.1941475523548832
Energy: 0.5501843579408606
Energy: 1.3380078103170236
Energy: 0.6835038009775052
Energy: 1.261562836354913
Energy: 0.6835038009741595
Energy: 1.3356214544617957
Energy: 0.49700564859321933
Energy: 0.9721341546672971
Energy: 0.49700564881859544
Energy: 1.6346550529365704
Energy: 0.49537959765022016
Energy: 0.9026612731470436
Energy: 0.49537959764687456
Energy: 1.3412129676487958
Energy: 0.4996297696247824
Energy: 0.975674636223939
Energy: 0.4996297696221058
Energy: 1.6277320437880238
Energy: 0.4972308110547457
Energy: 0.6641301697245205
Energy: 0.49723081105407657
Energy: 1.704818714490875
Energy: 0.4963459640097504
Energy: 0.6655812147090303
Energy: 0.49634596401108866
Energy: 1.6367511800979244
Energy: 0.5013665713454241
Energy: 0.6043479643693833
Energy: 0.5013665713460932
Energy: 1.7081544558599269
Energy: 0.4964686505070979
Energy: 0.497626968092665
Energy: 0.4964686505097744
Energy: 1.7713635371250234
Energy: 0.49702084231364835
Energy: 0.49841232132102015
Energy: 0.4970208423129792

minimum gb energy = 0.4945267239393244 eV
minimum distance =  2.28071600376665 Angstroms
sigma value = 85


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

Energy: 1.503960011639666
Energy: 0.41247893438223326
Energy: 0.42299881261464023
Energy: 0.42337437613381407
Energy: 1.7437468426779668
Energy: 0.42174272884219804
Energy: 0.5746218164806669
Energy: 0.42174272884277836
Energy: 1.4964772921029783
Energy: 0.42177489119223044
Energy: 0.5744964267148047
Energy: 0.42177489119106976
Energy: 1.2320783086504048
Energy: 0.4247244008693169
Energy: 0.8561647573707011
Energy: 0.42472440086873653
Energy: 1.6166318050328154
Energy: 0.4216246002111176
Energy: 0.8563443063820608
Energy: 0.42162460020937653
Energy: 1.2357670256379822
Energy: 0.42225631855734086
Energy: 0.8537157458963938
Energy: 0.42225631855734086
Energy: 1.2390346707172823
Energy: 0.42291150702984553
Energy: 1.1122209220672432
Energy: 0.4229115070281045
Energy: 1.3680871796432172
Energy: 0.42238015973329573
Energy: 0.8484184743180675
Energy: 0.422380159725171
Energy: 1.2420179191532026
Energy: 0.5115850018691104
Energy: 1.1106030898457198
Energy: 0.5115850018691104
Energy: 1.241236569906335
Energy: 0.9165287011494043
Energy: 1.3650456166482021
Energy: 0.9165287011494043
Energy: 1.1138581890545103
Energy: 0.5117156736924836
Energy: 1.1128850159235883
Energy: 0.5117156736878409
Energy: 0.9827262254814595
Energy: 0.42174647792100434
Energy: 1.3651713212544125
Energy: 0.42174647792216496
Energy: 1.1116192198934953
Energy: 0.4219338712646294
Energy: 1.367769260096166
Energy: 0.42193387126288834
Energy: 0.8553414905970966
Energy: 0.4235111489212024
Energy: 1.101827541708361
Energy: 0.4235111489212024
Energy: 0.7207624912709325
Energy: 0.4216371559053086
Energy: 1.6145533628652065
Energy: 0.4216371559053086
Energy: 0.8541565945465436
Energy: 0.4226657546900599
Energy: 1.3663984910455012
Energy: 0.42266575468889916
Energy: 0.575619188989844
Energy: 0.42295074531227145
Energy: 1.3672762402778353
Energy: 0.4229507453128518
Energy: 0.5754123080923681
Energy: 0.42123865014823236
Energy: 1.7353483542554478
Energy: 0.421238650147652
Energy: 0.5750061765763436
Energy: 0.42456890050457635
Energy: 1.628387322866898
Energy: 0.42456890050399604
Energy: 0.42337903649260045
Energy: 0.423650349238286
Energy: 1.6281654300221555
Energy: 0.423650349238286
Energy: 0.4218536128448208
Energy: 0.42101885680352574
Energy: 1.7356983822507783
Energy: 0.421018856804106
Energy: 0.42135821048958905
Energy: 0.42661867729131614
Energy: 1.4989514908928592
Energy: 0.4266186772907359
Energy: 0.5740734600935128
Energy: 0.4229043233819456
Energy: 1.7498426804439
Energy: 0.422904323382526
Energy: 0.5748233158063071
Energy: 0.4212451104118459
Energy: 1.7366896585195397
Energy: 0.4212451104124263
Energy: 0.5765973736424397
Energy: 0.42064158858495554
Energy: 1.2333119312995189
Energy: 0.42064158858495554
Energy: 0.8543335558471318
Energy: 0.4219554728257795
Energy: 1.7409165688237676
Energy: 0.4219554728257795
Energy: 0.8553349337857253
Energy: 0.42164520812347905
Energy: 1.4932062217688327
Energy: 0.42164520812347905
Energy: 1.1137003187373067
Energy: 0.42397277570253755
Energy: 1.2403937992380847
Energy: 0.42397277570253755
Energy: 1.1142512489637317
Energy: 0.42215833497049554
Energy: 1.486912177390993
Energy: 0.4221583349710759
Energy: 1.1122609897179117
Energy: 0.42175621306864136
Energy: 1.238683018370857
Energy: 0.4217562130738644
Energy: 1.365631239687674
Energy: 0.5125001604563653
Energy: 0.9736814055743412
Energy: 0.5125001604546243
Energy: 1.1100666100317769
Energy: 0.512655597857816
Energy: 1.366751107788539
Energy: 0.5126555978537536
Energy: 1.3660790892406276
Energy: 0.42163054740048367
Energy: 0.9795948805307931
Energy: 0.4216305532685928
Energy: 1.6139465684427583
Energy: 0.4216948919636917
Energy: 0.9801712596544294
Energy: 0.4216948919578883
Energy: 1.1035595113574785
Energy: 0.42404524641544966
Energy: 0.9783652753729645
Energy: 0.4240452464148693
Energy: 1.614102788037262
Energy: 0.4217377946450692
Energy: 0.8560117655418256
Energy: 0.4217377946456496
Energy: 1.6208752713331083
Energy: 0.42211610507341685
Energy: 0.8539728924921937
Energy: 0.42211610507341685
Energy: 1.3706729545385663
Energy: 0.424585323834836
Energy: 0.5772301382288763
Energy: 0.4245853238342556
Energy: 1.7360054364199384
Energy: 0.4211196465880154
Energy: 0.5752106985307516
Energy: 0.4211196465880154
Energy: 1.6267842258480876
Energy: 0.42328293433362424
Energy: 0.5742574740431432
Energy: 0.42328293433478487
Energy: 1.3620099170106015
Energy: 0.42583477374644346
Energy: 0.4246303119677978
Energy: 0.42583477374528284
Energy: 1.7356979535176251
Energy: 0.4207354640689256
Energy: 0.4214480200786629
Energy: 0.4207354640689256
Energy: 1.4974147688732302
Energy: 0.42418610133367246
Energy: 0.4236916373279639
Energy: 0.4241861013330921

minimum gb energy = 0.41247893438223326 eV
minimum distance =  2.27040063498818 Angstroms
sigma value = 113


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

Energy: 0.01864129360995987
Energy: 0.019502432185231743
Energy: 1.3729612527115567
Energy: 0.4384412122516149
Energy: 0.01968831344359325
Energy: 0.11372883819692797
Energy: 1.042278549099133
Energy: 0.11372883819692797
Energy: 0.02836072058117107
Energy: 0.11321000167958005
Energy: 1.0418385450239813
Energy: 0.11321000168042274
Energy: 0.020146593826474588
Energy: 0.11431711872472637
Energy: 1.0462632427671854
Energy: 0.11431711872512293
Energy: 1.04813452020797
Energy: 0.1156566660124654
Energy: 1.0444113212650334
Energy: 0.11565666601201927
Energy: 0.024931834181448218
Energy: 0.1133823888203375
Energy: 1.042500166804669
Energy: 0.1133823888203375

minimum gb energy = 0.01864129360995987 eV
minimum distance =  2.50641913186889 Angstroms
sigma value = 1