Model name: model_name=Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.182049587368965
cohesive_energy=3.9027539519879038
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3517549722169e-19, 2.8205518553253e-19, 3.2593880353778998e-19, 3.6495661110559198e-19, 3.9796144976599198e-19, 4.2357865196701797e-19, 4.42574058139722e-19, 4.5828500221272605e-19, 4.73678715312198e-19, 4.90339750129164e-19, 5.0855489628111e-19, 5.27455774032408e-19, 5.45834342201022e-19, 5.62714875216846e-19, 5.775974939700719e-19, 5.903091633842279e-19, 6.0080021598365995e-19, 6.091010931244139e-19, 6.15362399410086e-19, 6.197956221563639e-19, 6.22668324861126e-19, 6.243073515577079e-19, 6.250555680457859e-19, 6.2524142053533e-19, 6.251244616410479e-19, 6.2486490902634e-19, 6.243794495062379e-19, 6.2314417132142395e-19, 6.19933409346888e-19, 6.126995818443779e-19, 5.99000971623678e-19, 5.778442291717079e-19, 5.550724926726659e-19, 5.4851318153307e-19, 5.43552842674206e-19, 5.3461429923312e-19, 5.20527962266992e-19, 4.99241443507668e-19, 4.67503926564762e-19, 4.2121544143186797e-19, 3.55390014423978e-19, 2.63087016362604e-19, 1.349796964082418e-19, -4.1238424382526e-20, -2.81989496290536e-19, -6.1590073075911e-19, -1.086453599458374e-18, -1.75489611075288e-18, -2.7109629735596998e-18, -4.06081280947104e-18, -5.854241268271619e-18, -8.20689345940356e-18, -1.1568932951721838e-17, -1.7937649158937198e-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: 0.011246321176030288
Energy: 0.04552445505696684
Energy: 0.25965712824684534
Energy: 0.045524455057435506
Energy: 0.04552445505696684
Energy: 0.24962841469162111
Energy: 0.04552445505696684
Energy: 0.24962841468797606
Energy: 0.2596571282505165
Energy: 0.04552445505696684
Energy: 0.011246321176030288
Energy: 0.01197777573634465
Energy: 0.04552445505696684
Energy: 0.24962841468703872
Energy: 0.011977775735902028
Energy: 0.24962841468888727

minimum gb energy = 0.011246321176030288 eV
minimum distance =  2.83260641552519 Angstroms
sigma value = 1


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

Energy: 0.5255468376976152
Energy: 0.4000417760790781
Energy: 0.4004685830885732
Energy: 0.4000417760790781
Energy: 0.3719060994724333
Energy: 0.4040143108138559
Energy: 0.371865183811052
Energy: 0.4040143108132875
Energy: 0.4002861624993268
Energy: 0.3986799326999145
Energy: 0.5726494248459499
Energy: 0.3986799326999145
Energy: 0.37250411611061274
Energy: 0.371737689273997
Energy: 0.3720727636121082
Energy: 0.371737689273997
Energy: 0.491296951903434
Energy: 0.37159666655563967
Energy: 0.3726840477385985
Energy: 0.3715966665567764
Energy: 0.38579440857962966
Energy: 0.38208591953378335
Energy: 0.3715110887631894
Energy: 0.3820859195332149
Energy: 0.3854156500179857
Energy: 0.39001637887775453
Energy: 0.38526176511326604
Energy: 0.3900163788771861
Energy: 0.38944433483980356
Energy: 0.46142076540033916
Energy: 0.4074435533919431
Energy: 0.46142076540033916
Energy: 0.4053289517894984
Energy: 0.3823282655832729
Energy: 0.4030440301534569
Energy: 0.3823282655832729
Energy: 0.4032539594852278
Energy: 0.45099227300234146
Energy: 0.39851699017718184
Energy: 0.45099227300290984
Energy: 0.3974593755149939
Energy: 0.38231269932139694
Energy: 0.4023610760355739
Energy: 0.38231269932139694
Energy: 0.39142699173774553
Energy: 0.3837102962891655
Energy: 0.406234098132191
Energy: 0.3837102962880287
Energy: 0.38619397601946653
Energy: 0.3901569972229487
Energy: 0.3705350898674661
Energy: 0.3901569972229487
Energy: 0.3857546790021274
Energy: 0.381165087999041
Energy: 0.3868564089003831
Energy: 0.3811650879984726
Energy: 0.37047421096771604
Energy: 0.3725000462203815
Energy: 0.37158283920663937
Energy: 0.3725000462198131
Energy: 0.38485065853058703
Energy: 0.37180853478649906
Energy: 0.37407196521180236
Energy: 0.37180853478649906
Energy: 0.3991329109107854
Energy: 0.39860691513308116
Energy: 0.3720314965573652
Energy: 0.3986069151325128
Energy: 0.3732071454913968
Energy: 0.3720000242700908
Energy: 0.36916189045056713
Energy: 0.3720000242700908
Energy: 0.37115642129709786
Energy: 0.39874057319540246
Energy: 0.4003200370564856
Energy: 0.39874057319540246
Energy: 0.3843704822310317
Energy: 0.38068612806099156
Energy: 0.37285457279051304
Energy: 0.3806861280615599
Energy: 0.3739260111324179
Energy: 0.37434703494488825
Energy: 0.38716893291428334
Energy: 0.3743470349454566
Energy: 0.37133384621508403
Energy: 0.3718954896715237
Energy: 0.38573265980255605
Energy: 0.3718954896715237
Energy: 0.38594620664507767
Energy: 0.3904398450207004
Energy: 0.38689220177425654
Energy: 0.390439845020132
Energy: 0.40934396318989635
Energy: 0.38198421350131806
Energy: 0.387494933124092
Energy: 0.38198421350131806
Energy: 0.4046290467571885
Energy: 0.3825661739591439
Energy: 0.40159339954252626
Energy: 0.38256617395971226
Energy: 0.39982722985594243
Energy: 0.38194651597658535
Energy: 0.40417323684588174
Energy: 0.38194651597658535
Energy: 0.40218575519384925
Energy: 0.38251800615266324
Energy: 0.39776966500252375
Energy: 0.38251800615266324
Energy: 0.40488899780483184
Energy: 0.3818355322717754
Energy: 0.3891060346930185
Energy: 0.3818355322717754
Energy: 0.3708478624503636
Energy: 0.3810147778025102
Energy: 0.3847416695392319
Energy: 0.38101477780307863
Energy: 0.3869334313277998
Energy: 0.38216005383823076
Energy: 0.3867842469984425
Energy: 0.38216005383879914
Energy: 0.37097014523558114
Energy: 0.3719533436849613
Energy: 0.3694191559599344
Energy: 0.3719533436849613
Energy: 0.37563297269842455
Energy: 0.3713668531548517
Energy: 0.385646288405228
Energy: 0.3713668531548517
Energy: 0.3732821763890384
Energy: 0.3746970118991292
Energy: 0.39945084135204745
Energy: 0.3746970118991292

minimum gb energy = 0.36916189045056713 eV
minimum distance =  2.66221015229638 Angstroms
sigma value = 1


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

Energy: 0.5994956049174651
Energy: 0.41894713449593124
Energy: 0.41958612285344926
Energy: 0.4189471344965793
Energy: 0.3883312636816257
Energy: 0.4211266118653838
Energy: 0.38777577007592906
Energy: 0.4211266118653838
Energy: 0.41922068616174796
Energy: 0.41741143703475875
Energy: 0.550965201666512
Energy: 0.41741143703475875
Energy: 0.3890145739430267
Energy: 0.38727020073453533
Energy: 0.38771841990333294
Energy: 0.38727020073453533
Energy: 0.38697441997786236
Energy: 0.38779378692052463
Energy: 0.38930104431384444
Energy: 0.38779378692117267
Energy: 0.4027163746952919
Energy: 0.40541022283722605
Energy: 0.3871756344010334
Energy: 0.405410222836578
Energy: 0.4057328753074788
Energy: 0.40723132528570327
Energy: 0.4108649064569803
Energy: 0.40723132528570327
Energy: 0.40564249341995323
Energy: 0.46405848915044934
Energy: 0.4238485142283142
Energy: 0.46405848915044934
Energy: 0.40309770055639604
Energy: 0.40247397973472654
Energy: 0.4220202128508128
Energy: 0.40247397973472654
Energy: 0.4230192004618154
Energy: 0.43171389410748234
Energy: 0.4038289237371809
Energy: 0.43171389410748234
Energy: 0.38599471358416193
Energy: 0.4076568099011784
Energy: 0.40632397874205123
Energy: 0.4076568099011784
Energy: 0.4041916860863073
Energy: 0.40542482009618813
Energy: 0.40281974623888744
Energy: 0.4054248200968362
Energy: 0.3879870473034676
Energy: 0.38933902866720704
Energy: 0.38644347930386885
Energy: 0.38933902866720704
Energy: 0.3881515074925591
Energy: 0.38809128005610094
Energy: 0.40077446218927754
Energy: 0.38809128005610094
Energy: 0.3870311890971554
Energy: 0.4173851708148449
Energy: 0.4182697052663185
Energy: 0.4173851708148449
Energy: 0.38563547171557666
Energy: 0.3883320502356748
Energy: 0.3895859058393633
Energy: 0.38833205023697087
Energy: 0.4190306642847611
Energy: 0.4175846472559651
Energy: 0.3868303790524587
Energy: 0.4175846472559651
Energy: 0.3905238842464402
Energy: 0.38830836598267954
Energy: 0.4019886527404973
Energy: 0.38830836598267954
Energy: 0.38683885871503465
Energy: 0.39103276499529355
Energy: 0.3907465170879318
Energy: 0.39103276499594164
Energy: 0.4030071637051865
Energy: 0.3878348808919439
Energy: 0.38733083855648115
Energy: 0.3878348808919439
Energy: 0.40436388124352274
Energy: 0.40737692426954886
Energy: 0.40992987621820387
Energy: 0.40737692426954886
Energy: 0.4039544906695552
Energy: 0.4001243786485034
Energy: 0.42604883398410837
Energy: 0.4001243786485034
Energy: 0.4029773659035763
Energy: 0.4027079946093062
Energy: 0.42072621184375864
Energy: 0.4027079946093062
Energy: 0.42280764277115856
Energy: 0.40202011119974906
Energy: 0.4049708653850692
Energy: 0.4020201112003971
Energy: 0.38654309323448327
Energy: 0.39946235147949577
Energy: 0.40739214018688147
Energy: 0.39946235147949577
Energy: 0.4039998180524538
Energy: 0.3995735119367142
Energy: 0.40899965673201255
Energy: 0.3995735119367142
Energy: 0.3868851981656491
Energy: 0.38822098775108493
Energy: 0.38588027988058127
Energy: 0.38822098775173297
Energy: 0.38977467864138654
Energy: 0.3875338871838509
Energy: 0.4050795334720249
Energy: 0.3875338871838509
Energy: 0.3868346323939079
Energy: 0.3911981204905183
Energy: 0.41857420699365117
Energy: 0.3911981204905183

minimum gb energy = 0.38563547171557666 eV
minimum distance =  2.66508249984435 Angstroms
sigma value = 25


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

Energy: 0.5707889072906394
Energy: 0.4376860536201209
Energy: 0.4400733733973682
Energy: 0.4376860536201209
Energy: 0.4045585992423667
Energy: 0.4375985703928699
Energy: 0.405627231325267
Energy: 0.4375985703928699
Energy: 0.43860399412909135
Energy: 0.4369782468050769
Energy: 0.5205547116814235
Energy: 0.4369782468050769
Energy: 0.4064569064139154
Energy: 0.4057191910836046
Energy: 0.40513810771727254
Energy: 0.4057191910828513
Energy: 0.40322814375874566
Energy: 0.4056385426134975
Energy: 0.4061871320260614
Energy: 0.4056385426134975
Energy: 0.4167092731155377
Energy: 0.4300408981156423
Energy: 0.4043461163321368
Energy: 0.4300408981156423
Energy: 0.41473886313904645
Energy: 0.42687684207207854
Energy: 0.43059935162373164
Energy: 0.42687684207207854
Energy: 0.4133420398731588
Energy: 0.46821209976607797
Energy: 0.4426760506808277
Energy: 0.46821209976607797
Energy: 0.4346298509735504
Energy: 0.4275643268431263
Energy: 0.4056306307960149
Energy: 0.42756432684387957
Energy: 0.4145382463011874
Energy: 0.4281962963533352
Energy: 0.4041246628160331
Energy: 0.42819629635408857
Energy: 0.40190165633211405
Energy: 0.40701894638133995
Energy: 0.40468049285636604
Energy: 0.40701894638133995
Energy: 0.41244605399416234
Energy: 0.40692988390725665
Energy: 0.4058863779816479
Energy: 0.40692988390725665
Energy: 0.4384275886680246
Energy: 0.43652362745210965
Energy: 0.4012817427112352
Energy: 0.43652362745210965
Energy: 0.40572429368721785
Energy: 0.40709652307543054
Energy: 0.404342123509385
Energy: 0.4070965230761839
Energy: 0.40264950690599105
Energy: 0.43703718286846605
Energy: 0.4383732728850449
Energy: 0.43703718286997273
Energy: 0.4132974141577985
Energy: 0.40693771865876494
Energy: 0.40750121123819744
Energy: 0.4069377186595183
Energy: 0.4046795646918731
Energy: 0.4098401815005928
Energy: 0.4030367372436658
Energy: 0.4098401815005928
Energy: 0.40459074399797507
Energy: 0.4056643328666809
Energy: 0.4167207753511244
Energy: 0.4056643328666809
Energy: 0.4373552396942681
Energy: 0.4276517423015245
Energy: 0.416219497544199
Energy: 0.4276517423022778
Energy: 0.44355409297113035
Energy: 0.4224241999240711
Energy: 0.41421549646516315
Energy: 0.4224241999240711
Energy: 0.40518825494021615
Energy: 0.42750158752753176
Energy: 0.4167810915415464
Energy: 0.42750158752753176
Energy: 0.40491002347828214
Energy: 0.42194907538397913
Energy: 0.4151458264676187
Energy: 0.42194907538397913
Energy: 0.4044094038083438
Energy: 0.40658150326619463
Energy: 0.40162619271311917
Energy: 0.40658150326619463
Energy: 0.40595637560650616
Energy: 0.40664227842062495
Energy: 0.40311146611099385
Energy: 0.40664227842062495
Energy: 0.40127808920081554
Energy: 0.4096036173273162
Energy: 0.43835219684530335
Energy: 0.4096036173273162

minimum gb energy = 0.40127808920081554 eV
minimum distance =  2.66259283098352 Angstroms
sigma value = 9


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

Energy: 0.577920807813282
Energy: 0.4631166295972082
Energy: 0.4645525588591089
Energy: 0.4631166295972082
Energy: 0.43670812030465017
Energy: 0.45992799389378797
Energy: 0.4328373551297342
Energy: 0.45992799389468664
Energy: 0.46397020666839267
Energy: 0.46330298931675123
Energy: 0.43355656222755323
Energy: 0.46330298931675123
Energy: 0.4330909616929076
Energy: 0.4389634604370951
Energy: 0.432251290682578
Energy: 0.4389634604370951
Energy: 0.41957387201242713
Energy: 0.4342390283477054
Energy: 0.43131439092836676
Energy: 0.4342390283477054
Energy: 0.44251334087018923
Energy: 0.47314036806129545
Energy: 0.43359953667898166
Energy: 0.4731403680621941
Energy: 0.43275120805879214
Energy: 0.4519813816289291
Energy: 0.44131503885234413
Energy: 0.4519813816289291
Energy: 0.4424559307268005
Energy: 0.4618272726456672
Energy: 0.4646004182053278
Energy: 0.4618272726456672
Energy: 0.44468580453049256
Energy: 0.4512080392945686
Energy: 0.42396408451290535
Energy: 0.4512080392945686
Energy: 0.43134810872985635
Energy: 0.4366034243234247
Energy: 0.42390075168961594
Energy: 0.4366034243234247
Energy: 0.4126834952695125
Energy: 0.42210001413437764
Energy: 0.422017502661489
Energy: 0.42210001413437764
Energy: 0.43249276594784947
Energy: 0.4132496415145254
Energy: 0.4223000569809007
Energy: 0.4132496415145254
Energy: 0.47551093983240306
Energy: 0.4743328331544158
Energy: 0.432967174324278
Energy: 0.47433283315351715
Energy: 0.43640221091595116
Energy: 0.43747593235976046
Energy: 0.4328283933415039
Energy: 0.43747593235976046
Energy: 0.41949486733832514
Energy: 0.4390463179068176
Energy: 0.4429329675747024
Energy: 0.4390463179068176
Energy: 0.4367715923708643
Energy: 0.4389612628340371
Energy: 0.43548746615318695
Energy: 0.4389612628349358
Energy: 0.43359157745319926
Energy: 0.45649566977264555
Energy: 0.4365444015053003
Energy: 0.45649566977264555
Energy: 0.4339626554408523
Energy: 0.4574283769856177
Energy: 0.4367527683569455
Energy: 0.4574283769856177
Energy: 0.43261064330483723
Energy: 0.4337265608202907
Energy: 0.42382390504983203
Energy: 0.4337265608202907
Energy: 0.4335409124974452
Energy: 0.4384801474593497
Energy: 0.42401905072162055
Energy: 0.4384801474593497
Energy: 0.42364289381267695
Energy: 0.4459446797088644
Energy: 0.46264491090198173
Energy: 0.44594467970796575

minimum gb energy = 0.4126834952695125 eV
minimum distance =  2.66460017858878 Angstroms
sigma value = 25


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

Energy: 0.4641575840231656
Energy: 0.4739681409250097
Energy: 0.47370094649238914
Energy: 0.4739681409261211
Energy: 0.4310260796827026
Energy: 0.44887577750024943
Energy: 0.4381193221397736
Energy: 0.4488757775013609
Energy: 0.4723872739871111
Energy: 0.4739737789449416
Energy: 0.4254865606033646
Energy: 0.4739737789449416
Energy: 0.4243710004245129
Energy: 0.44894644656348714
Energy: 0.4314230271370523
Energy: 0.44894644656348714
Energy: 0.4390409630518307
Energy: 0.45461973046012877
Energy: 0.43561183034404843
Energy: 0.45461973046012877
Energy: 0.42488273570074003
Energy: 0.47507018920538513
Energy: 0.4297209264620763
Energy: 0.47507018920538513
Energy: 0.42237644188643
Energy: 0.45288926703584087
Energy: 0.43305652860671573
Energy: 0.45288926703584087
Energy: 0.42258133519137037
Energy: 0.44781962603840597
Energy: 0.4311226317907982
Energy: 0.44781962603951736
Energy: 0.47286587400774965
Energy: 0.4732493321826586
Energy: 0.42478300536126407
Energy: 0.47324933218377
Energy: 0.4307202891367862
Energy: 0.4491742209249238
Energy: 0.42238345331429383
Energy: 0.4491742209249238
Energy: 0.4240745728162738
Energy: 0.475252361208056
Energy: 0.4735538902205838
Energy: 0.475252361208056
Energy: 0.4218850555678033
Energy: 0.44905791289736485
Energy: 0.42451174959366855
Energy: 0.4490579128984763
Energy: 0.4341417347697912
Energy: 0.4590462546169404
Energy: 0.443043370899971
Energy: 0.4590462546169404
Energy: 0.4313085557431745
Energy: 0.45366168625127196
Energy: 0.4243909995708424
Energy: 0.45366168625127196
Energy: 0.4477513502898042
Energy: 0.4535329755643735
Energy: 0.42217605268771025
Energy: 0.4535329755643735
Energy: 0.4298643983826058
Energy: 0.4491744359969093
Energy: 0.42251248677249614
Energy: 0.4491744359969093
Energy: 0.42352714135537856
Energy: 0.4479185758447865
Energy: 0.47317908738336556
Energy: 0.4479185758436751

minimum gb energy = 0.4218850555678033 eV
minimum distance =  2.67993411326221 Angstroms
sigma value = 17


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

Energy: 0.6695115399300743
Energy: 0.5063653097435427
Energy: 0.5018937749191662
Energy: 0.5063653097435427
Energy: 0.43431864649324375
Energy: 0.4506842458303898
Energy: 0.4476189167328854
Energy: 0.4506842458303898
Energy: 0.4494316331720795
Energy: 0.4559747629466852
Energy: 0.46325720721931657
Energy: 0.4559747629466852
Energy: 0.4489175271405138
Energy: 0.45947284043358017
Energy: 0.44688323820897813
Energy: 0.45947284043358017
Energy: 0.44697866426048327
Energy: 0.4715268238152179
Energy: 0.4323177324012665
Energy: 0.4715268238152179
Energy: 0.44658537631664125
Energy: 0.4713916225491058
Energy: 0.450624823137734
Energy: 0.4713916225491058
Energy: 0.4618852441767588
Energy: 0.4552713966604191
Energy: 0.4500764372346934
Energy: 0.4552713966604191
Energy: 0.46470741736182886
Energy: 0.45002452079744754
Energy: 0.43722249975521627
Energy: 0.45002452079744754
Energy: 0.5024783465025849
Energy: 0.5014982619630073
Energy: 0.4626451619886109
Energy: 0.5014982619630073
Energy: 0.4746290517737745
Energy: 0.46100653088638255
Energy: 0.4466893864634819
Energy: 0.46100653088638255
Energy: 0.4449678399606585
Energy: 0.44431032590972963
Energy: 0.43645140093160417
Energy: 0.44431032590972963
Energy: 0.46714252007891754
Energy: 0.43578738964206104
Energy: 0.43147989082964394
Energy: 0.43578738964520825
Energy: 0.46248323170087613
Energy: 0.4365789605232235
Energy: 0.4427437287754247
Energy: 0.4365789605232235
Energy: 0.4634542567788568
Energy: 0.4506614093260948
Energy: 0.43019412719293454
Energy: 0.4506614093260948
Energy: 0.5089988982379154
Energy: 0.473404138528068
Energy: 0.4658496159058923
Energy: 0.4734041385274385
Energy: 0.5037253836966652
Energy: 0.473770491040065
Energy: 0.4678242179757205
Energy: 0.473770491040065
Energy: 0.4639077902214803
Energy: 0.4505538962325561
Energy: 0.45426704181278216
Energy: 0.4505538962325561
Energy: 0.4635409677856334
Energy: 0.4505621635078721
Energy: 0.4566905760910852
Energy: 0.4505621635078721
Energy: 0.44758376521652277
Energy: 0.47256789824628914
Energy: 0.44766355217745474
Energy: 0.47256789824565976
Energy: 0.45435596098406134
Energy: 0.4712027836957034
Energy: 0.4504866092496053
Energy: 0.4712027836957034
Energy: 0.44678312028342576
Energy: 0.4505361224746982
Energy: 0.4640035667859726
Energy: 0.4505361224740688
Energy: 0.45760589434333804
Energy: 0.4534706285542376
Energy: 0.4618075035042371
Energy: 0.4534706285542376
Energy: 0.4463982539183093
Energy: 0.46056446590734545
Energy: 0.45643135042970184
Energy: 0.4605644659079749
Energy: 0.46318437156192144
Energy: 0.505260660810892
Energy: 0.5013598626207161
Energy: 0.505260660810892
Energy: 0.43737170251386004
Energy: 0.4500055051118446
Energy: 0.46890304499829416
Energy: 0.4500055051118446
Energy: 0.43398659616102936
Energy: 0.4474049435967252
Energy: 0.44517814330115424
Energy: 0.4474049435967252
Energy: 0.42995020598969447
Energy: 0.43017455044317443
Energy: 0.4643471938801827
Energy: 0.43017455044317443
Energy: 0.4310686026748727
Energy: 0.44675974563676163
Energy: 0.46353633018065726
Energy: 0.44675974563676163
Energy: 0.4339052122908198
Energy: 0.4496753036408587
Energy: 0.46808319719173935
Energy: 0.4496753036408587
Energy: 0.4619081589945856
Energy: 0.505500948584889
Energy: 0.5017331738114014
Energy: 0.505500948584889

minimum gb energy = 0.42995020598969447 eV
minimum distance =  2.69807598754961 Angstroms
sigma value = 53


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

Energy: 0.5975087544595507
Energy: 0.4549609504196634
Energy: 0.45408895714847347
Energy: 0.4549609504196634
Energy: 0.46143354102957723
Energy: 0.4109320933592712
Energy: 0.46115814646975045
Energy: 0.4109320933592712
Energy: 0.45334495652557893
Energy: 0.45524765850963583
Energy: 0.45454477931656007
Energy: 0.45524765850963583
Energy: 0.458430197332322
Energy: 0.41412928469796595
Energy: 0.4602941190579767
Energy: 0.41412928469796595
Energy: 0.46173886529365005
Energy: 0.41172192439972455
Energy: 0.3801590756067592
Energy: 0.41172192439972455
Energy: 0.4595756390066609
Energy: 0.41661282425254975
Energy: 0.3785629131116157
Energy: 0.41661282425254975
Energy: 0.5266121749096827
Energy: 0.45650547158689336
Energy: 0.4556567805266677
Energy: 0.45650547158689336
Energy: 0.5259935329075085
Energy: 0.4160903328112292
Energy: 0.4558623321172637
Energy: 0.4160903328112292
Energy: 0.4542476929219912
Energy: 0.4548462123813652
Energy: 0.4562516236795365
Energy: 0.4548462123813652
Energy: 0.4600149575349647
Energy: 0.416690972936333
Energy: 0.4621050186573187
Energy: 0.416690972936333
Energy: 0.46167518733260243
Energy: 0.4159113696026527
Energy: 0.37909097372162925
Energy: 0.4159113696026527
Energy: 0.4587113723821864
Energy: 0.41164989287024856
Energy: 0.3818125009440418
Energy: 0.41164989287024856
Energy: 0.5260024791432673
Energy: 0.4170778888859725
Energy: 0.4649417334135045
Energy: 0.4170778888859725

minimum gb energy = 0.3785629131116157 eV
minimum distance =  2.72194340990183 Angstroms
sigma value = 9


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

Energy: 0.6228978538701168
Energy: 0.5067634898666167
Energy: 0.5060125212006815
Energy: 0.5067634898671531
Energy: 0.42151100397124375
Energy: 0.4216848917537408
Energy: 0.5241797730261567
Energy: 0.4216848917537408
Energy: 0.4189386594973263
Energy: 0.42285896103971765
Energy: 0.5428413999423451
Energy: 0.42285896103971765
Energy: 0.41656918115957775
Energy: 0.41970093569062866
Energy: 0.5576251055448055
Energy: 0.41970093569116507
Energy: 0.42185374095033434
Energy: 0.42227392926535356
Energy: 0.5640913448710523
Energy: 0.4222739292658899
Energy: 0.4281265208618057
Energy: 0.455498626154913
Energy: 0.5630784966460408
Energy: 0.4554986261554493
Energy: 0.5234107132262592
Energy: 0.510840468893042
Energy: 0.5087157253266703
Energy: 0.5108404688935783
Energy: 0.5078339851015263
Energy: 0.42033595383134964
Energy: 0.5128628180769922
Energy: 0.4203359538324223
Energy: 0.45166085975276976
Energy: 0.4512598975601282
Energy: 0.46650142188376836
Energy: 0.45125989755959184
Energy: 0.4357199993025903
Energy: 0.46155403680394747
Energy: 0.5156543921654413
Energy: 0.4615540368044838
Energy: 0.4581196385859654
Energy: 0.468251738692014
Energy: 0.48764006392334247
Energy: 0.46825173869255027
Energy: 0.4524573166979306
Energy: 0.44954054138345945
Energy: 0.5657523205043808
Energy: 0.44954054138506855
Energy: 0.5166511333495408
Energy: 0.470438251736179
Energy: 0.46368999274512346
Energy: 0.47043825173671533
Energy: 0.5238534158022037
Energy: 0.4620313667794446
Energy: 0.4592546665648418
Energy: 0.4620313667789083
Energy: 0.5015011685465448
Energy: 0.46993649263113607
Energy: 0.4623114811010502
Energy: 0.4699364926316724
Energy: 0.5024046145618711
Energy: 0.48091697665418015
Energy: 0.46427341604289396
Energy: 0.48091697665418015
Energy: 0.49743779847365605
Energy: 0.46464101525545515
Energy: 0.47037552867991844
Energy: 0.46464101525599155
Energy: 0.47497871833516847
Energy: 0.47506767697088853
Energy: 0.5863496667765637
Energy: 0.4750676769703522
Energy: 0.47888927599911313
Energy: 0.4650715724887163
Energy: 0.4209149481553491
Energy: 0.4650715724887163
Energy: 0.5657544116005605
Energy: 0.4362338292634867
Energy: 0.4339464258968052
Energy: 0.43623382926402293
Energy: 0.5422830309389786
Energy: 0.4706174522092235
Energy: 0.4320946865816973
Energy: 0.47061745220868717
Energy: 0.5633719524447837
Energy: 0.4404461546698776
Energy: 0.43431163884884905
Energy: 0.44044615466880493
Energy: 0.5639655840044904
Energy: 0.48206712916604977
Energy: 0.43880847471539425
Energy: 0.48206712916604977
Energy: 0.510297501345888
Energy: 0.5131025403129801
Energy: 0.5760137431098361
Energy: 0.5131025403135163
Energy: 0.5140138692578176
Energy: 0.4319332282093003
Energy: 0.5098589047567209
Energy: 0.4319332282114456
Energy: 0.4666101634919639
Energy: 0.4533033299365352
Energy: 0.44754705088820895
Energy: 0.45330332993707156
Energy: 0.5204547725676761
Energy: 0.46721414058292426
Energy: 0.45168449860378707
Energy: 0.4672141405823879
Energy: 0.5014488706975343
Energy: 0.4658068157018722
Energy: 0.450492862440658
Energy: 0.4658068157018722
Energy: 0.5440813578088148
Energy: 0.44818276260148043
Energy: 0.45065453390696286
Energy: 0.44818276260148043
Energy: 0.4492931612408856
Energy: 0.4662696516084466
Energy: 0.5094601150199017
Energy: 0.4662696516084466
Energy: 0.44846254834955224
Energy: 0.44956596991306796
Energy: 0.540998358918832
Energy: 0.4495659699125316
Energy: 0.44800604027607815
Energy: 0.4394911794769259
Energy: 0.5204022813051987
Energy: 0.4394911794769259
Energy: 0.4508506608168597
Energy: 0.45888187476142756
Energy: 0.5037951324249641
Energy: 0.4588818747608912
Energy: 0.45562745266405374
Energy: 0.4224227465630212
Energy: 0.49745439247664586
Energy: 0.4224227465630212
Energy: 0.552430165497947
Energy: 0.5060919807693186
Energy: 0.5052312198363825
Energy: 0.5060919807698548

minimum gb energy = 0.41656918115957775 eV
minimum distance =  2.69175711962672 Angstroms
sigma value = 73


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

Energy: 0.6103501265196404
Energy: 0.4769291668666152
Energy: 0.4771190063770682
Energy: 0.4769291668666152
Energy: 0.42361064608372273
Energy: 0.45697338556667605
Energy: 0.47239824402319297
Energy: 0.45697338556667605
Energy: 0.4226702586984459
Energy: 0.42417481123506673
Energy: 0.5024300281981341
Energy: 0.42417481123506673
Energy: 0.417868702476587
Energy: 0.44912618816557254
Energy: 0.5234244904313508
Energy: 0.44912618816557254
Energy: 0.4236659761032336
Energy: 0.42618885000821566
Energy: 0.5325670530321251
Energy: 0.42618885000821566
Energy: 0.42062295894233503
Energy: 0.48466746953467804
Energy: 0.5327139346629486
Energy: 0.48466746953467804
Energy: 0.5191067426155745
Energy: 0.49567546389853795
Energy: 0.4964599745457932
Energy: 0.49567546389853795
Energy: 0.46022361312933135
Energy: 0.4204912313528961
Energy: 0.5011568653077513
Energy: 0.4204912313528961
Energy: 0.4424301625439605
Energy: 0.4099047234273185
Energy: 0.5036781786147814
Energy: 0.40990472342646755
Energy: 0.4420110496748484
Energy: 0.47368339476739085
Energy: 0.5062086706279314
Energy: 0.47368339476739085
Energy: 0.4384971549992552
Energy: 0.4487766708718867
Energy: 0.5077109892546461
Energy: 0.4487766708718867
Energy: 0.43809169818295923
Energy: 0.432513883793712
Energy: 0.5326366020614967
Energy: 0.432513883793712
Energy: 0.5029158484677154
Energy: 0.45016482127507623
Energy: 0.4493948786091757
Energy: 0.45016482127507623
Energy: 0.505530681020252
Energy: 0.4538249866807313
Energy: 0.44718468452128823
Energy: 0.4538249866807313
Energy: 0.502316211257941
Energy: 0.4592424809708257
Energy: 0.4384573464119995
Energy: 0.4592424809708257
Energy: 0.5326171460033298
Energy: 0.4416546275235837
Energy: 0.4394659532745817
Energy: 0.4416546275235837
Energy: 0.534084930291109
Energy: 0.4609831014471575
Energy: 0.4405732278853396
Energy: 0.4609831014471575
Energy: 0.4786944249261664
Energy: 0.4756407512962027
Energy: 0.5255507271253349
Energy: 0.4756407512962027
Energy: 0.48283013798835256
Energy: 0.4553909713494998
Energy: 0.46048686436141945
Energy: 0.4553909713494998
Energy: 0.5007776292591904
Energy: 0.45354310491798766
Energy: 0.4787873364802352
Energy: 0.45354310491798766
Energy: 0.48437434116360767
Energy: 0.4499578635661426
Energy: 0.4422962579887969
Energy: 0.4499578635661426
Energy: 0.5316633150326209
Energy: 0.4565428975612197
Energy: 0.48110705801173925
Energy: 0.4565428975612197

minimum gb energy = 0.40990472342646755 eV
minimum distance =  2.68413939801084 Angstroms
sigma value = 7


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

Energy: 0.6943402673806779
Energy: 0.47313924615798253
Energy: 0.4803885243189823
Energy: 0.47313924615798253
Energy: 0.4347834908430631
Energy: 0.46086470180165096
Energy: 0.494418565208894
Energy: 0.46086470180165096
Energy: 0.4231176009424284
Energy: 0.42449205634945286
Energy: 0.4772092499851797
Energy: 0.4244920563488512
Energy: 0.41816539975248923
Energy: 0.4542811123233371
Energy: 0.4716210918759946
Energy: 0.4542811123233371
Energy: 0.4258229466773478
Energy: 0.42026076834966536
Energy: 0.5192742316563249
Energy: 0.4202607683490636
Energy: 0.42926012827361204
Energy: 0.4550432409494686
Energy: 0.5184485697816771
Energy: 0.4550432409488669
Energy: 0.5210720574117016
Energy: 0.4540372045098528
Energy: 0.4291512421197982
Energy: 0.45403720451045454
Energy: 0.5172493437097454
Energy: 0.45230186984635756
Energy: 0.4326074812834354
Energy: 0.45230186984635756
Energy: 0.5171419278496048
Energy: 0.46214664671792494
Energy: 0.4225650902279615
Energy: 0.46214664671792494
Energy: 0.5305082983387754
Energy: 0.4243941188698708
Energy: 0.42589692340520646
Energy: 0.4243941188698708
Energy: 0.491460870574154
Energy: 0.4620836200463812
Energy: 0.44163173343675005
Energy: 0.4620836200463812
Energy: 0.47308592269748545
Energy: 0.47236865814924606
Energy: 0.5295454886993384
Energy: 0.47236865814864437
Energy: 0.47231104513690897
Energy: 0.4750905163551228
Energy: 0.4372743520257945
Energy: 0.4750905163551228
Energy: 0.4737508468608581
Energy: 0.44657623077691583
Energy: 0.4235169650704778
Energy: 0.4465762307775175
Energy: 0.4772629273110746
Energy: 0.45948629327185775
Energy: 0.4225083419488174
Energy: 0.4594862932724595
Energy: 0.520495366079698
Energy: 0.47264849277610016
Energy: 0.4725408963396785
Energy: 0.47264849277489684
Energy: 0.44978368237662375
Energy: 0.461895655626394
Energy: 0.43626229450974746
Energy: 0.461895655626394
Energy: 0.4254085517320206
Energy: 0.4246413180492011
Energy: 0.4762143905246779
Energy: 0.4246413180492011
Energy: 0.42213147011989127
Energy: 0.46188685299381815
Energy: 0.5177947611546222
Energy: 0.46188685299381815
Energy: 0.4323280695323874
Energy: 0.45235535737356786
Energy: 0.4327316651118559
Energy: 0.45235535737356786
Energy: 0.43066613776005036
Energy: 0.4275294315987124
Energy: 0.5217798400130369
Energy: 0.4275294315987124
Energy: 0.517127459651296
Energy: 0.4550198387369527
Energy: 0.4301063924572177
Energy: 0.4550198387369527
Energy: 0.516795592486629
Energy: 0.42130448144818095
Energy: 0.4250813814359028
Energy: 0.42130448144878263
Energy: 0.5173526671422947
Energy: 0.4423783935605314
Energy: 0.41853851130082464
Energy: 0.4423783935605314
Energy: 0.5262464702807914
Energy: 0.41921575413360124
Energy: 0.4236478968798403
Energy: 0.41921575413360124
Energy: 0.5206210973668552
Energy: 0.46112040749382177
Energy: 0.43461542556630056
Energy: 0.46112040749382177
Energy: 0.47382264711683214
Energy: 0.4728632141025708
Energy: 0.6127328119963587
Energy: 0.47286321410437593
Energy: 0.4751767265356123
Energy: 0.4615033270942303
Energy: 0.43397502734330046
Energy: 0.4615033270942303
Energy: 0.47650545465227273
Energy: 0.4460820882989717
Energy: 0.47255616866655553
Energy: 0.4460820882995734
Energy: 0.47808845505660785
Energy: 0.44665984459946484
Energy: 0.42355568388152715
Energy: 0.4466598446000665
Energy: 0.4432667918800346
Energy: 0.47693663721018104
Energy: 0.4739868437839353
Energy: 0.47693663720957935

minimum gb energy = 0.41816539975248923 eV
minimum distance =  2.65667762794144 Angstroms
sigma value = 29


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

Energy: 0.39189256480546836
Energy: 0.42668000738472306
Energy: 0.42061148079283756
Energy: 0.42668000743346435
Energy: 0.4214580154989003
Energy: 0.4044300021936903
Energy: 0.41349161303363563
Energy: 0.40443000219408615
Energy: 0.41884963876369935
Energy: 0.4259060536466478
Energy: 0.3934664593439839
Energy: 0.42590605364746287
Energy: 0.39538689958933776
Energy: 0.40622530817553987
Energy: 0.402291850548948
Energy: 0.4062253081753303
Energy: 0.3969994244826398
Energy: 0.4056302960438365
Energy: 0.38972103980247264
Energy: 0.4056302960438365
Energy: 0.40187434878295103
Energy: 0.4058005142513486
Energy: 0.38994813063812067
Energy: 0.4058005142515582
Energy: 0.38958711530256557
Energy: 0.42691210489040393
Energy: 0.4192401380834236
Energy: 0.4269120720324139
Energy: 0.41415785867914534
Energy: 0.40481068151501737
Energy: 0.3947669323044672
Energy: 0.40481068151604205
Energy: 0.39442880246578604
Energy: 0.40443787386854163
Energy: 0.3991932071431677
Energy: 0.4044378738687512

minimum gb energy = 0.38958711530256557 eV
minimum distance =  2.76357092585183 Angstroms
sigma value = 5


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

Energy: 0.5244774181512385
Energy: 0.457035904372298
Energy: 0.47668541850898366
Energy: 0.457035904372298
Energy: 0.4711879910170427
Energy: 0.4083228077317889
Energy: 0.46772474961401356
Energy: 0.4083228077317889
Energy: 0.4691763189661842
Energy: 0.45083983873501
Energy: 0.46724600112868425
Energy: 0.45083983873501
Energy: 0.4197542869961089
Energy: 0.40875350311686626
Energy: 0.47658380565916103
Energy: 0.40875350311686626
Energy: 0.433025994686648
Energy: 0.4080488950938612
Energy: 0.553305451717862
Energy: 0.4080488950944296
Energy: 0.41975154270532716
Energy: 0.41766147223837585
Energy: 0.4628771651655512
Energy: 0.41766147223837585
Energy: 0.4067144754703673
Energy: 0.4089322278049757
Energy: 0.47432503215553445
Energy: 0.4089322278049757
Energy: 0.411892212427189
Energy: 0.40770101454711183
Energy: 0.5142024254155274
Energy: 0.40770101454711183
Energy: 0.4464089191760873
Energy: 0.44328243982433374
Energy: 0.510027546638681
Energy: 0.44328243982433374
Energy: 0.4713097912144177
Energy: 0.39759151977304275
Energy: 0.39707285932971204
Energy: 0.39759151977304275
Energy: 0.44516557259316725
Energy: 0.3946986047311262
Energy: 0.39439277067011336
Energy: 0.3946986047311262
Energy: 0.5077633525860219
Energy: 0.395729504827639
Energy: 0.3927493668482128
Energy: 0.3957295048287757
Energy: 0.5102128169726083
Energy: 0.40118472559783436
Energy: 0.3982071932913763
Energy: 0.40118472559783436
Energy: 0.42240405652125296
Energy: 0.4121288929787672
Energy: 0.46542327210488293
Energy: 0.4121288929781988
Energy: 0.4071456947059255
Energy: 0.42810239230347424
Energy: 0.46591749722934134
Energy: 0.42810239230347424
Energy: 0.40938280863847776
Energy: 0.40770565882736126
Energy: 0.4676652196357065
Energy: 0.40770565882736126
Energy: 0.41868185365885185
Energy: 0.4184512486987874
Energy: 0.39650319142691814
Energy: 0.4184512486987874
Energy: 0.4666429493721943
Energy: 0.4082404520420944
Energy: 0.4117586632207047
Energy: 0.4082404520432312
Energy: 0.46922296269855857
Energy: 0.4438403416901927
Energy: 0.47264083158144815
Energy: 0.44384034168905595
Energy: 0.48072341857115664
Energy: 0.4423756870182561
Energy: 0.4191595201654604
Energy: 0.4423756870182561
Energy: 0.46219136810735406
Energy: 0.4093566778554628
Energy: 0.43599324499640013
Energy: 0.4093566778548944
Energy: 0.5546240279283865
Energy: 0.4075945990950775
Energy: 0.4207835198801137
Energy: 0.40759459909564594
Energy: 0.47375571663862376
Energy: 0.4079047755995273
Energy: 0.4068546883590135
Energy: 0.40790477559895894
Energy: 0.511412753710736
Energy: 0.42485845207574624
Energy: 0.41007114988229726
Energy: 0.4248584520763146
Energy: 0.5084212326830244
Energy: 0.4435329758563861
Energy: 0.4282495296755763
Energy: 0.4435329758563861
Energy: 0.405184286129292
Energy: 0.39765470939570435
Energy: 0.4715668941921131
Energy: 0.39765470939570435
Energy: 0.3967992847598282
Energy: 0.39485667155743
Energy: 0.41550957597321897
Energy: 0.39485667155799836
Energy: 0.4004332774820443
Energy: 0.3950330210399686
Energy: 0.4289133477670127
Energy: 0.3950330210399686
Energy: 0.39862256788055367
Energy: 0.3972225173385041
Energy: 0.5129187099580285
Energy: 0.3972225173385041
Energy: 0.46536518103824936
Energy: 0.4453566174909629
Energy: 0.4136888233944788
Energy: 0.4453566174909629
Energy: 0.4654779067942734
Energy: 0.424728977128763
Energy: 0.4082212117656043
Energy: 0.424728977128763
Energy: 0.4640634938885364
Energy: 0.4073726020610033
Energy: 0.4078698156114598
Energy: 0.40737260206214004
Energy: 0.3984555136506255
Energy: 0.4082242259670101
Energy: 0.4115740814241771
Energy: 0.4082242259670101

minimum gb energy = 0.3927493668482128 eV
minimum distance =  2.68089869687445 Angstroms
sigma value = 1


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

Energy: 0.5984022637655894
Energy: 0.4413522282377028
Energy: 0.4410767358703282
Energy: 0.4413522282377028
Energy: 0.45901678334677365
Energy: 0.39401961558048976
Energy: 0.4144713137238411
Energy: 0.39401961558048976
Energy: 0.4607621465705291
Energy: 0.4340860728919015
Energy: 0.47002408512669874
Energy: 0.4340860728919015
Energy: 0.43686220503509726
Energy: 0.44890513430017515
Energy: 0.4117247139294613
Energy: 0.44890513430017515
Energy: 0.4338637010215506
Energy: 0.4417003827320847
Energy: 0.40148746630143983
Energy: 0.4417003827320847
Energy: 0.4115168903635359
Energy: 0.4094607223289876
Energy: 0.3952417719234458
Energy: 0.4094607223289876
Energy: 0.3972056936828116
Energy: 0.39938588530352975
Energy: 0.41298169507952054
Energy: 0.3993858853027439
Energy: 0.40136232913461695
Energy: 0.3992343658618074
Energy: 0.38439886779723
Energy: 0.3992343658618074
Energy: 0.42441316879529944
Energy: 0.41300499265594953
Energy: 0.3835335542152431
Energy: 0.41300499265594953
Energy: 0.5097972117134465
Energy: 0.3723729508617156
Energy: 0.4144361179192283
Energy: 0.37237295086092975
Energy: 0.4037178986467643
Energy: 0.4224849148508835
Energy: 0.4168595289577933
Energy: 0.4224849148508835
Energy: 0.519352008662804
Energy: 0.37272419566375237
Energy: 0.4054960230025491
Energy: 0.37272419566375237
Energy: 0.5232640955180885
Energy: 0.3798612944913561
Energy: 0.41210548055712776
Energy: 0.3798612944929278
Energy: 0.40264301431152866
Energy: 0.3715574841818991
Energy: 0.48939072210968854
Energy: 0.3715574841818991
Energy: 0.43707334909209894
Energy: 0.37282995540436814
Energy: 0.48621240661044135
Energy: 0.37282995540436814
Energy: 0.43865392313890894
Energy: 0.3996255175008055
Energy: 0.43792414538928104
Energy: 0.3996255175000196
Energy: 0.41921076173622723
Energy: 0.4165197574256807
Energy: 0.40570401674254725
Energy: 0.4165197574256807
Energy: 0.4057144475309727
Energy: 0.3992545514758666
Energy: 0.3974936679529979
Energy: 0.3992545514750807
Energy: 0.40012953434174764
Energy: 0.39914222335657024
Energy: 0.38208716147083727
Energy: 0.3991422233557844
Energy: 0.3993876029651191
Energy: 0.39978101875434013
Energy: 0.39457487795129614
Energy: 0.39978101875119665
Energy: 0.49547964556943286
Energy: 0.4137931941797798
Energy: 0.3964895289536011
Energy: 0.41379319418056565
Energy: 0.497366699106339
Energy: 0.3933065851738343
Energy: 0.39533078422810525
Energy: 0.3933065851738343
Energy: 0.5073318958463928
Energy: 0.3932244627063698
Energy: 0.3928063627012354
Energy: 0.39322446270715566
Energy: 0.3811827948614449
Energy: 0.39310485881157153
Energy: 0.4049407031970804
Energy: 0.39310485881157153

minimum gb energy = 0.3715574841818991 eV
minimum distance =  2.67284895128977 Angstroms
sigma value = 17


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

Energy: 0.5815521424554045
Energy: 0.45693164918578494
Energy: 0.4465802809470304
Energy: 0.45693164918335616
Energy: 0.44673487913740806
Energy: 0.3937138629224684
Energy: 0.4451569939809449
Energy: 0.3937138629224684
Energy: 0.4821211580379702
Energy: 0.43304111151325686
Energy: 0.4421924739882699
Energy: 0.43304111151422825
Energy: 0.4831737241483367
Energy: 0.42413369399514295
Energy: 0.46359091837452643
Energy: 0.42413369399465717
Energy: 0.38989230782478174
Energy: 0.3851253516093352
Energy: 0.5130697402246712
Energy: 0.3851253516088494
Energy: 0.3821347242185358
Energy: 0.38423771068879087
Energy: 0.4038574154466303
Energy: 0.38423771068830515
Energy: 0.381679519497185
Energy: 0.3822294329897317
Energy: 0.4544200587430481
Energy: 0.38222943298924594
Energy: 0.38581441142911005
Energy: 0.38368252246580387
Energy: 0.3805895480203304
Energy: 0.3836825224624478
Energy: 0.4333469000610256
Energy: 0.3869193963618243
Energy: 0.4906355026895965
Energy: 0.38691939636231004
Energy: 0.4438487025597009
Energy: 0.3963864429583852
Energy: 0.45314523177826566
Energy: 0.3963864429574137
Energy: 0.4466960520490536
Energy: 0.41218681388268424
Energy: 0.40020507554806883
Energy: 0.4121868138821985
Energy: 0.4026380594226147
Energy: 0.3943309670542
Energy: 0.4381407817895002
Energy: 0.3943309670542
Energy: 0.3929172065867442
Energy: 0.3924406199468777
Energy: 0.4098518207343928
Energy: 0.3924406199478492
Energy: 0.4057790920394024
Energy: 0.3916545858074658
Energy: 0.3917081936787805
Energy: 0.39165458580649437
Energy: 0.48202227450386187
Energy: 0.39351542613266766
Energy: 0.39533778322508867
Energy: 0.39351542613266766
Energy: 0.3826215525385259
Energy: 0.4022778886337548
Energy: 0.415601172823868
Energy: 0.40227788863278335
Energy: 0.4091535018999502
Energy: 0.3945103096548221
Energy: 0.45218592660442763
Energy: 0.3945103096548221
Energy: 0.3928204702962681
Energy: 0.39287877645018215
Energy: 0.44607448270327654
Energy: 0.39287877645018215
Energy: 0.4077538402387809
Energy: 0.39351985151944885
Energy: 0.45785886861424585
Energy: 0.39351985151993457
Energy: 0.40824234304015744
Energy: 0.3990202968394033
Energy: 0.38026677054043106
Energy: 0.39902029677678746
Energy: 0.44336905482933064
Energy: 0.39290142736849265
Energy: 0.4447764204058655
Energy: 0.3929014273680069
Energy: 0.4427001651281305
Energy: 0.43297671795486653
Energy: 0.4814490639195325
Energy: 0.4329767179543808
Energy: 0.4672389011124691
Energy: 0.38436777914828585
Energy: 0.4818766435145278
Energy: 0.38436777914974307
Energy: 0.5151672985049779
Energy: 0.3837426170588358
Energy: 0.39060405761533734
Energy: 0.3837426170738936
Energy: 0.40149633903010634
Energy: 0.3842963950338493
Energy: 0.3877212712477402
Energy: 0.3842963950338493
Energy: 0.45916392471608863
Energy: 0.3824619823194709
Energy: 0.383038150115209
Energy: 0.3824619823194709
Energy: 0.38061328520676335
Energy: 0.3829966074223215
Energy: 0.38797002766695277
Energy: 0.3829966074218357
Energy: 0.4608334117067321
Energy: 0.3863697844549502
Energy: 0.44689996150496347
Energy: 0.38636978445349296
Energy: 0.4483533385439347
Energy: 0.3945805451020022
Energy: 0.4429467970557888
Energy: 0.3945805451024879
Energy: 0.3997980068912799
Energy: 0.41526212908021054
Energy: 0.4453010475288604
Energy: 0.415262129081182
Energy: 0.462728145956631
Energy: 0.3954340724479893
Energy: 0.4040217441297663
Energy: 0.395434072448475
Energy: 0.40729990813914174
Energy: 0.39616421643079675
Energy: 0.39293252396104855
Energy: 0.39616421643128247
Energy: 0.39108532919766636
Energy: 0.391792110069495
Energy: 0.4459968569571271
Energy: 0.391792110069495
Energy: 0.39770698103264246
Energy: 0.3931864170781871
Energy: 0.48318255445861186
Energy: 0.3931864170786728
Energy: 0.3937012982920276
Energy: 0.40169116038504976
Energy: 0.38708483967210644
Energy: 0.4016911603845641
Energy: 0.5335456428063363
Energy: 0.39360067622796996
Energy: 0.40679501075127866
Energy: 0.39360067622796996
Energy: 0.44544166592786316
Energy: 0.392292223290526
Energy: 0.3913706754409241
Energy: 0.3922922232910117
Energy: 0.4020486680914548
Energy: 0.39384653396058444
Energy: 0.40667171136621305
Energy: 0.39384653395961294

minimum gb energy = 0.38026677054043106 eV
minimum distance =  2.68027240716068 Angstroms
sigma value = 89


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

Energy: 0.5917462290346799
Energy: 0.4253355946346671
Energy: 0.4255517989253956
Energy: 0.4253355946346671
Energy: 0.38357648255098586
Energy: 0.3599056764424444
Energy: 0.38583298889425693
Energy: 0.3599056764424444
Energy: 0.3538733305899128
Energy: 0.3886077461983969
Energy: 0.3825029341456873
Energy: 0.3886077461983969
Energy: 0.3541634234014041
Energy: 0.3890037853175623
Energy: 0.3821407106946916
Energy: 0.3890037853175623
Energy: 0.381030047786335
Energy: 0.3584293556307558
Energy: 0.3796921508180364
Energy: 0.3584293556307558
Energy: 0.35912301403274083
Energy: 0.35922887884216514
Energy: 0.3791707414937254
Energy: 0.35922887884216514
Energy: 0.35657925251538763
Energy: 0.3573617266570714
Energy: 0.3829219507337529
Energy: 0.3573617266570714
Energy: 0.3596351663314377
Energy: 0.35865446077768504
Energy: 0.3560255899755977
Energy: 0.35865446077895596
Energy: 0.36616433835824014
Energy: 0.3603256201398662
Energy: 0.3545254008979788
Energy: 0.3603256201398662
Energy: 0.382408510838248
Energy: 0.3897769209036087
Energy: 0.38333915141877606
Energy: 0.3897769209036087
Energy: 0.38329362574511466
Energy: 0.3911909945808201
Energy: 0.3525623708969289
Energy: 0.3911909945808201
Energy: 0.3804817932290309
Energy: 0.36044677725947566
Energy: 0.3822285405347082
Energy: 0.36044677724295343
Energy: 0.38041895559592515
Energy: 0.35846895222303804
Energy: 0.3584537506594249
Energy: 0.35846895222303804
Energy: 0.38207418169666224
Energy: 0.3573485648438335
Energy: 0.35616748040382606
Energy: 0.3573485648438335
Energy: 0.35441975688451105
Energy: 0.35885995841627066
Energy: 0.3591772679125543
Energy: 0.35885995841627066

minimum gb energy = 0.3525623708969289 eV
minimum distance =  2.70410639883937 Angstroms
sigma value = 13


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

Energy: 0.5300467514341777
Energy: 0.4279188455375912
Energy: 0.42999597308849025
Energy: 0.4279188455370585
Energy: 0.4735800581866147
Energy: 0.35138849838296915
Energy: 0.3973078284486067
Energy: 0.35138849838296915
Energy: 0.49834778573989735
Energy: 0.3520145775937914
Energy: 0.3935647351681849
Energy: 0.35201457759432403
Energy: 0.4323221906658479
Energy: 0.42502930723483895
Energy: 0.40823280752527075
Energy: 0.4250293072337736
Energy: 0.39711346075825277
Energy: 0.37315085063353837
Energy: 0.4714663556618218
Energy: 0.3731508506314076
Energy: 0.3976561817808066
Energy: 0.35182881711454567
Energy: 0.4708753916556271
Energy: 0.35182881711454567
Energy: 0.39600830075984744
Energy: 0.35028919736012487
Energy: 0.47447585788439783
Energy: 0.35028919736012487
Energy: 0.3667826855673182
Energy: 0.35180050074157115
Energy: 0.4821752025980461
Energy: 0.3518005007426366
Energy: 0.3573909577050368
Energy: 0.352607164522464
Energy: 0.481769915396175
Energy: 0.352607164522464
Energy: 0.35265636144940776
Energy: 0.35060724550837763
Energy: 0.47732988981335944
Energy: 0.35060724550837763
Energy: 0.36274511868637366
Energy: 0.353021637371445
Energy: 0.5302580763168894
Energy: 0.3530216373581276
Energy: 0.46855597360397755
Energy: 0.3513197065270298
Energy: 0.48215581351673503
Energy: 0.3513197065270298
Energy: 0.4724908729926201
Energy: 0.3693293696397113
Energy: 0.4694905026876281
Energy: 0.3693293696397113
Energy: 0.4767952584581255
Energy: 0.37404168266197785
Energy: 0.4326116933272382
Energy: 0.37404168266251053
Energy: 0.47298061095266164
Energy: 0.35127528537132663
Energy: 0.4009903845333124
Energy: 0.35127528537185937
Energy: 0.48659235656324246
Energy: 0.3523649767059634
Energy: 0.353393156322009
Energy: 0.35236497670543065
Energy: 0.47508063891788826
Energy: 0.35028580063882325
Energy: 0.351392737274599
Energy: 0.35028580063829057
Energy: 0.510603070794389
Energy: 0.35223016595014556
Energy: 0.35469334405047054
Energy: 0.3522301659512109
Energy: 0.4365133635478052
Energy: 0.3525779328552646
Energy: 0.38678431933098945
Energy: 0.352577932854732
Energy: 0.46247199477375306
Energy: 0.35324520226972456
Energy: 0.3915688996009762
Energy: 0.35324520226919187
Energy: 0.43181875264392144
Energy: 0.3534708594093409
Energy: 0.4046030668669814
Energy: 0.3534708594098736
Energy: 0.39466732235172536
Energy: 0.3720264885674358
Energy: 0.4709611017959074
Energy: 0.37202648856690307
Energy: 0.3995255884262361
Energy: 0.35177835821450404
Energy: 0.47167519067779884
Energy: 0.35177835821450404
Energy: 0.3525341515315623
Energy: 0.35045619714337806
Energy: 0.47422715008670957
Energy: 0.35045619714337806
Energy: 0.3865363258828782
Energy: 0.35053167042613326
Energy: 0.47127493011018823
Energy: 0.35053167042613326
Energy: 0.3505495795937704
Energy: 0.3525491531232412
Energy: 0.47995637844295463
Energy: 0.3525491531232412
Energy: 0.34969237311001833
Energy: 0.34980499013102895
Energy: 0.47762959828347035
Energy: 0.3498049901299635
Energy: 0.3571515120577341
Energy: 0.3525874314301699
Energy: 0.5110225239119092
Energy: 0.3525874314312353
Energy: 0.45927131875429755
Energy: 0.35172083858323544
Energy: 0.437574393049937
Energy: 0.35172083858217
Energy: 0.3920079791843433
Energy: 0.36978823187998566
Energy: 0.4714786070572426
Energy: 0.36978823187998566
Energy: 0.4720219066408365
Energy: 0.3561712602355589
Energy: 0.4314279233441731
Energy: 0.3561712602350262
Energy: 0.468056141956864
Energy: 0.3518204812366331
Energy: 0.4522565625848541
Energy: 0.35182048123610044
Energy: 0.4731166613145658
Energy: 0.3520035433250463
Energy: 0.3567429638920567
Energy: 0.35200354332611167
Energy: 0.4762108537053061
Energy: 0.34960125560174443
Energy: 0.34964160119796683
Energy: 0.34960125560174443
Energy: 0.42797230182149787
Energy: 0.3503326181217661
Energy: 0.3528063726453911
Energy: 0.3503326181217661

minimum gb energy = 0.34960125560174443 eV
minimum distance =  2.6891151249665 Angstroms
sigma value = 37


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

Energy: 0.5105094519367614
Energy: 0.3281854467638538
Energy: 0.3268634074422294
Energy: 0.3281854467629373
Energy: 0.44467447889182943
Energy: 0.32695352598289285
Energy: 0.39697109593654745
Energy: 0.32695352598289285
Energy: 0.47270755208853593
Energy: 0.36127479175984134
Energy: 0.39589766330383147
Energy: 0.36127479175984134
Energy: 0.4737637464972207
Energy: 0.387431512421459
Energy: 0.39522280943680954
Energy: 0.387431512421459
Energy: 0.39508888391270836
Energy: 0.3623310381239476
Energy: 0.4223729348896871
Energy: 0.3623310381239476
Energy: 0.3570861584372564
Energy: 0.32345481618873156
Energy: 0.4386867290695887
Energy: 0.32345481618873156
Energy: 0.35481798467619896
Energy: 0.31989002212023787
Energy: 0.45655399684549414
Energy: 0.31989002212023787
Energy: 0.3619723297457225
Energy: 0.31773640714316176
Energy: 0.42340439555982445
Energy: 0.3177364071440782
Energy: 0.352955181010669
Energy: 0.31920568331274624
Energy: 0.41982219949894733
Energy: 0.31920568331274624
Energy: 0.35328146329245863
Energy: 0.31692808330349975
Energy: 0.44232007999657313
Energy: 0.31692808330349975
Energy: 0.3905418592593378
Energy: 0.39007354359507507
Energy: 0.4571615343667201
Energy: 0.39007354359507507
Energy: 0.421556700195681
Energy: 0.3167219257856314
Energy: 0.4424003978023511
Energy: 0.3167219257856314
Energy: 0.4216442424600914
Energy: 0.34986910195869836
Energy: 0.4298390834868688
Energy: 0.34986910195869836
Energy: 0.42189551870594205
Energy: 0.351481106250468
Energy: 0.47414598225514687
Energy: 0.351481106250468
Energy: 0.4223729348906036
Energy: 0.3582271178360671
Energy: 0.3942795931076188
Energy: 0.3582271178360671
Energy: 0.4386867290695887
Energy: 0.3267828342390843
Energy: 0.3571274497998139
Energy: 0.3267828342390843
Energy: 0.4691591165167143
Energy: 0.32616500437541335
Energy: 0.3553951659918053
Energy: 0.32616500437541335
Energy: 0.4234043951897308
Energy: 0.35548916067987824
Energy: 0.33224471724261906
Energy: 0.35548916067987824
Energy: 0.41982219949894733
Energy: 0.32759902342902175
Energy: 0.32664259029793746
Energy: 0.32759902342902175
Energy: 0.48486015950339467
Energy: 0.3270727763805228
Energy: 0.32818030640979673
Energy: 0.3270727763805228

minimum gb energy = 0.3167219257856314 eV
minimum distance =  2.67670625998574 Angstroms
sigma value = 25


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

Energy: 0.5810277048827712
Energy: 0.3890481158604375
Energy: 0.38856410106503736
Energy: 0.3890481158604375
Energy: 0.491744374443129
Energy: 0.2937038063141714
Energy: 0.35151242976352737
Energy: 0.2937038063141714
Energy: 0.47962617485737424
Energy: 0.29336161646556347
Energy: 0.3484081663840686
Energy: 0.29336161646556347
Energy: 0.42779554173545964
Energy: 0.31877827688905364
Energy: 0.4087293013803581
Energy: 0.31877827688905364
Energy: 0.4414805467757574
Energy: 0.3209113430134705
Energy: 0.4489365200499396
Energy: 0.3209113430134705
Energy: 0.4229336383906116
Energy: 0.3195849964984694
Energy: 0.43828041874934615
Energy: 0.3195849964984694
Energy: 0.4228562365859437
Energy: 0.322102885871579
Energy: 0.4347639584606185
Energy: 0.322102885871579
Energy: 0.34207999792254745
Energy: 0.37294395030623156
Energy: 0.45930976358211845
Energy: 0.37294395030766286
Energy: 0.35038084225663396
Energy: 0.29305503089276463
Energy: 0.488601717587997
Energy: 0.29305503089276463
Energy: 0.3430465632574505
Energy: 0.2926949374227541
Energy: 0.46350789255555497
Energy: 0.2926949374227541
Energy: 0.3165994752781791
Energy: 0.2901684625160689
Energy: 0.5004931942660593
Energy: 0.2901684625146376
Energy: 0.32160097634282436
Energy: 0.2913293730513175
Energy: 0.46384028420535584
Energy: 0.29132937305203316
Energy: 0.3185401986545411
Energy: 0.28902950695722396
Energy: 0.46384288019751724
Energy: 0.28902950695722396
Energy: 0.32391828859282085
Energy: 0.3719067663363811
Energy: 0.4691284065898774
Energy: 0.3719067663363811
Energy: 0.36903849060170635
Energy: 0.2885818348355026
Energy: 0.4634545665121747
Energy: 0.2885818348355026
Energy: 0.3711443582009694
Energy: 0.28931136994979195
Energy: 0.48145454208247285
Energy: 0.2893113699490763
Energy: 0.4050925219694119
Energy: 0.2890243631172444
Energy: 0.47405463112300356
Energy: 0.2890243631165287
Energy: 0.3667637480578885
Energy: 0.31971785341072007
Energy: 0.44406329491872526
Energy: 0.31971785341143566
Energy: 0.4281868743791941
Energy: 0.31860552804351316
Energy: 0.4225708796544065
Energy: 0.31860552804422887
Energy: 0.4738639025203895
Energy: 0.3198082823313401
Energy: 0.42261306320161196
Energy: 0.3198082823313401
Energy: 0.5013227137300492
Energy: 0.2943121684542747
Energy: 0.3474571102526402
Energy: 0.2943121684542747
Energy: 0.49065627888945995
Energy: 0.29292381789347394
Energy: 0.3158398029391978
Energy: 0.29292381789347394
Energy: 0.4575260440610697
Energy: 0.2942043164380843
Energy: 0.34776945885375693
Energy: 0.2942043164380843
Energy: 0.47127083929534663
Energy: 0.29517426022715065
Energy: 0.2949890415093468
Energy: 0.29517426022715065
Energy: 0.47419617335895736
Energy: 0.29275385082687516
Energy: 0.29369782260137917
Energy: 0.29275385082687516
Energy: 0.4804135695911669
Energy: 0.29386007038887124
Energy: 0.295410398929753
Energy: 0.29386007038887124

minimum gb energy = 0.2885818348355026 eV
minimum distance =  2.68972371398934 Angstroms
sigma value = 41


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

Energy: 0.5889181712930928
Energy: 0.2715482169340789
Energy: 0.3708433793162723
Energy: 0.27154821705841015
Energy: 0.49167216832476784
Energy: 0.266859530741436
Energy: 0.3113943012538165
Energy: 0.2668595307420227
Energy: 0.4747432512632161
Energy: 0.2664252171790191
Energy: 0.3116941016240009
Energy: 0.2664252171790191
Energy: 0.44034015837359725
Energy: 0.26926803711474767
Energy: 0.3634642619071795
Energy: 0.26926803711474767
Energy: 0.4729077940126653
Energy: 0.2680324852886905
Energy: 0.39669371298399964
Energy: 0.2680324852886905
Energy: 0.43313683451193774
Energy: 0.335331531059533
Energy: 0.3971237406668512
Energy: 0.33533153105894636
Energy: 0.4387699946262176
Energy: 0.288698837416776
Energy: 0.4297089561080019
Energy: 0.288698837416776
Energy: 0.40028712556596835
Energy: 0.2900175183466661
Energy: 0.3954559315777369
Energy: 0.29001751834783956
Energy: 0.3530567128548605
Energy: 0.3351605385975945
Energy: 0.45112806378543163
Energy: 0.3351605385975945
Energy: 0.3545688660973164
Energy: 0.2664819426404027
Energy: 0.49299335544014233
Energy: 0.2664819426404027
Energy: 0.31585582127305545
Energy: 0.26788451643795774
Energy: 0.5253797897423819
Energy: 0.2678845164361976
Energy: 0.31061731134525367
Energy: 0.2659898832016522
Energy: 0.49167478408725357
Energy: 0.2659898832010655
Energy: 0.3120361712666196
Energy: 0.26630478477648956
Energy: 0.49178773143826915
Energy: 0.26630478477648956
Energy: 0.2713591236385053
Energy: 0.2684046176225535
Energy: 0.46129340715762274
Energy: 0.2684046176231402
Energy: 0.26716399220268194
Energy: 0.2660094114525701
Energy: 0.5047358117240309
Energy: 0.2660094114525701
Energy: 0.27115623374439735
Energy: 0.2674243542067428
Energy: 0.4782055795596525
Energy: 0.2674243542067428
Energy: 0.31544151232323464
Energy: 0.2683542358485787
Energy: 0.4804561181011423
Energy: 0.2683542358491654
Energy: 0.3074388275679619
Energy: 0.26724779209541466
Energy: 0.47185249925623574
Energy: 0.26724779209482796
Energy: 0.3130219520953113
Energy: 0.2675477709709466
Energy: 0.4381426227159075
Energy: 0.2675477709715333
Energy: 0.3926570311230989
Energy: 0.267766414856624
Energy: 0.4362576950896214
Energy: 0.26776641485603725
Energy: 0.4061513103537789
Energy: 0.2900073596626855
Energy: 0.4499219332550845
Energy: 0.29000735966209884
Energy: 0.3927907468042982
Energy: 0.2698302392203933
Energy: 0.4407610187841416
Energy: 0.26983023921980653
Energy: 0.4512202744647147
Energy: 0.2880452879688912
Energy: 0.42719151099998137
Energy: 0.2880452879688912
Energy: 0.39689102790527403
Energy: 0.2692275371437429
Energy: 0.3952540056631019
Energy: 0.2692275371437429
Energy: 0.44982386626147186
Energy: 0.2896909080618725
Energy: 0.3489114971612328
Energy: 0.2896909080618725
Energy: 0.4534188013878246
Energy: 0.26727706048175737
Energy: 0.39593277490397527
Energy: 0.26727706048117067
Energy: 0.46104432871212203
Energy: 0.2677616619494291
Energy: 0.314710433742063
Energy: 0.2677616619494291
Energy: 0.4873933812688206
Energy: 0.26885488395349016
Energy: 0.30941720190674904
Energy: 0.26885488395349016
Energy: 0.4574244811982462
Energy: 0.26768404729098055
Energy: 0.31626962877534415
Energy: 0.26768404729098055
Energy: 0.4570073342992879
Energy: 0.26690487769242754
Energy: 0.2669374530870288
Energy: 0.26690487769242754
Energy: 0.4882814020837797
Energy: 0.2657232142026114
Energy: 0.26665015371018524
Energy: 0.2657232142026114
Energy: 0.48226123363100293
Energy: 0.2671653566406396
Energy: 0.27193842981301247
Energy: 0.26716535664005286

minimum gb energy = 0.2657232142026114 eV
minimum distance =  2.6927058738494 Angstroms
sigma value = 15


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

Energy: 0.5123733268192452
Energy: 0.35876538441416866
Energy: 0.35921303217257045
Energy: 0.35876538441565975
Energy: 0.495194411160642
Energy: 0.24839710607073476
Energy: 0.28463453194805977
Energy: 0.24839710607073476
Energy: 0.4797098978377196
Energy: 0.2478598159727733
Energy: 0.2866375026639499
Energy: 0.2478598159722763
Energy: 0.44592585948889
Energy: 0.24964029197444532
Energy: 0.3649242614962097
Energy: 0.24964029197345125
Energy: 0.4761483445456087
Energy: 0.2478917628476059
Energy: 0.3582618061969406
Energy: 0.2478917628476059
Energy: 0.4419248663933507
Energy: 0.24976215492473344
Energy: 0.359974132462764
Energy: 0.2497621549242364
Energy: 0.3966527050594395
Energy: 0.24879225558081047
Energy: 0.4163663310116825
Energy: 0.24879225558130746
Energy: 0.4233459055742186
Energy: 0.2677801714272846
Energy: 0.3595606522123161
Energy: 0.2677801714272846
Energy: 0.3954343746804686
Energy: 0.2665044370829458
Energy: 0.41520119433462244
Energy: 0.2665044370829458
Energy: 0.39505656874201794
Energy: 0.2703709885577902
Energy: 0.4590283243385429
Energy: 0.2703709885572932
Energy: 0.3619390423345603
Energy: 0.25020859459335554
Energy: 0.46120696045425696
Energy: 0.25020859459335554
Energy: 0.32017916820012404
Energy: 0.2495547367515459
Energy: 0.45822252409906483
Energy: 0.2495547367510489
Energy: 0.3588461395644836
Energy: 0.24765366535445738
Energy: 0.45974354968388703
Energy: 0.24765366535594846
Energy: 0.29061805341236463
Energy: 0.24866466622659422
Energy: 0.4286063088835197
Energy: 0.2486646662270912
Energy: 0.2834119821300173
Energy: 0.24720075363721253
Energy: 0.4926192149005727
Energy: 0.2472007536377096
Energy: 0.28841504949475927
Energy: 0.24866853624821122
Energy: 0.46219649472584484
Energy: 0.2486685362477142
Energy: 0.2514431957738807
Energy: 0.25043336969700386
Energy: 0.4658622705070583
Energy: 0.25043336969750096
Energy: 0.24752044656341016
Energy: 0.24683964371509293
Energy: 0.5058567525698554
Energy: 0.24683964371509293
Energy: 0.25063014276352297
Energy: 0.250722126596643
Energy: 0.4424479694387777
Energy: 0.250722126596643
Energy: 0.2909396834267708
Energy: 0.2495476017916193
Energy: 0.4827851893961749
Energy: 0.2495476017901282
Energy: 0.28265345001052555
Energy: 0.24753662774466662
Energy: 0.4918004289924435
Energy: 0.24753662774367252
Energy: 0.29126824214253744
Energy: 0.24898240990703427
Energy: 0.44554338257790255
Energy: 0.24898240990753132
Energy: 0.3575870218605517
Energy: 0.24828201692771323
Energy: 0.43958783921323924
Energy: 0.24828201692771323
Energy: 0.3587166493218342
Energy: 0.2505619618650704
Energy: 0.45943320346439687
Energy: 0.25056196186457336
Energy: 0.36106990054084215
Energy: 0.2506937300085444
Energy: 0.41062844693808326
Energy: 0.2506937300100355
Energy: 0.4164733065231025
Energy: 0.3131951634927134
Energy: 0.4605333833224296
Energy: 0.3131951634927134
Energy: 0.35925014954513845
Energy: 0.2667026525827331
Energy: 0.41917747337968064
Energy: 0.266702652582236
Energy: 0.4178836701675155
Energy: 0.2690257890418367
Energy: 0.39983374289330176
Energy: 0.26902578904233376
Energy: 0.42063959693417435
Energy: 0.25007879047883963
Energy: 0.4165622361164864
Energy: 0.2500787904793367
Energy: 0.4190970301144507
Energy: 0.2501041941215609
Energy: 0.35897514791178575
Energy: 0.2501041941220579
Energy: 0.4584762607702298
Energy: 0.24695789472307988
Energy: 0.31888551222758915
Energy: 0.24695789472307988
Energy: 0.42904495127156883
Energy: 0.24937617098255055
Energy: 0.362107588488784
Energy: 0.2493761709830476
Energy: 0.4605517458879977
Energy: 0.24778913038795614
Energy: 0.28831642230920007
Energy: 0.24778913038795614
Energy: 0.4910155051726956
Energy: 0.24777938146646242
Energy: 0.28770873277068804
Energy: 0.24777938146646242
Energy: 0.47017512708056963
Energy: 0.287419693296844
Energy: 0.2571273938948289
Energy: 0.28741969329585
Energy: 0.49455454534595633
Energy: 0.2488948568093107
Energy: 0.250498493715203
Energy: 0.24889485680980772
Energy: 0.4804428763785392
Energy: 0.24846105651335076
Energy: 0.2489783209724937
Energy: 0.24846105651335076

minimum gb energy = 0.24683964371509293 eV
minimum distance =  2.692913145978 Angstroms
sigma value = 85


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

Energy: 0.561363418804209
Energy: 0.33464370556902867
Energy: 0.3346544722806549
Energy: 0.3346437055685975
Energy: 0.4916389870573498
Energy: 0.21974247934725102
Energy: 0.25299441703766284
Energy: 0.21974247934725102
Energy: 0.44464942237715255
Energy: 0.21953482897052226
Energy: 0.2542225595795938
Energy: 0.21953482897052226
Energy: 0.40990261262834754
Energy: 0.23700850343430796
Energy: 0.31809065552054144
Energy: 0.23700850343430796
Energy: 0.4749237723263296
Energy: 0.21893975577330063
Energy: 0.31772056769797896
Energy: 0.21893975577330063
Energy: 0.4052916466710915
Energy: 0.2194374671105501
Energy: 0.32034859956458583
Energy: 0.2194374671105501
Energy: 0.40773564387961997
Energy: 0.22030903393979645
Energy: 0.37540509092415664
Energy: 0.22030903393979645
Energy: 0.41707148152361906
Energy: 0.21988876272595978
Energy: 0.3387746593125234
Energy: 0.21988876272595978
Energy: 0.40789649565926034
Energy: 0.21911679694246092
Energy: 0.3725423772342066
Energy: 0.219116796942892
Energy: 0.4072126198476895
Energy: 0.2515390639757667
Energy: 0.41440566790827305
Energy: 0.2515390639757667
Energy: 0.37392378246070607
Energy: 0.21887367843511385
Energy: 0.4242043369984114
Energy: 0.21887367843554492
Energy: 0.36570012317066275
Energy: 0.21902493743537016
Energy: 0.4144855756235056
Energy: 0.21902493743495866
Energy: 0.3759242469494345
Energy: 0.21973754146452976
Energy: 0.4260577121246312
Energy: 0.21973754146496088
Energy: 0.3162367020737195
Energy: 0.21923209050433745
Energy: 0.39210777988367923
Energy: 0.21923209050390638
Energy: 0.2996287041412704
Energy: 0.21926732594244086
Energy: 0.45017810226736865
Energy: 0.21926732594287193
Energy: 0.3179337267926429
Energy: 0.2193138316159109
Energy: 0.4276142969735882
Energy: 0.21931383161634196
Energy: 0.2533204777011498
Energy: 0.2205347215853969
Energy: 0.42448148375904926
Energy: 0.2205347215853969
Energy: 0.2542424659158069
Energy: 0.22027480477746447
Energy: 0.46074848874970104
Energy: 0.22027480477746447
Energy: 0.25772508791510057
Energy: 0.21911900561278058
Energy: 0.4577603929415286
Energy: 0.2191190056123495
Energy: 0.23857972065547625
Energy: 0.2190313093939026
Energy: 0.45792157956064894
Energy: 0.2190313093939026
Energy: 0.23376976260433638
Energy: 0.21814870049620286
Energy: 0.4888467556242025
Energy: 0.21814870049620286
Energy: 0.2376486812170765
Energy: 0.21788230590210517
Energy: 0.4341730256109058
Energy: 0.21788230590210517
Energy: 0.2655362829206683
Energy: 0.21914115717106644
Energy: 0.4655168716013771
Energy: 0.21914115717106644
Energy: 0.26682093790161454
Energy: 0.21891975500899855
Energy: 0.47598418747888516
Energy: 0.21891975500899855
Energy: 0.26963298355197873
Energy: 0.21916305585363346
Energy: 0.4041484393252992
Energy: 0.21916305585363346
Energy: 0.3190867601552764
Energy: 0.2190890799144708
Energy: 0.4439526214053263
Energy: 0.2190890799144708
Energy: 0.31988639539246655
Energy: 0.21917729638846936
Energy: 0.44440809524088887
Energy: 0.21917729638846936
Energy: 0.35362264491706585
Energy: 0.23572885328780174
Energy: 0.4064607575550039
Energy: 0.23572885328780174
Energy: 0.3727769246318799
Energy: 0.2198818635453299
Energy: 0.4436178705968489
Energy: 0.21988186354576097
Energy: 0.37078666089416285
Energy: 0.2193791162446226
Energy: 0.4053837678944636
Energy: 0.2193791162472091
Energy: 0.4206591088739981
Energy: 0.2514143744828444
Energy: 0.36490739633372055
Energy: 0.2514143744828444
Energy: 0.39276424200597543
Energy: 0.25197530348958225
Energy: 0.41634739894662715
Energy: 0.25197530348958225
Energy: 0.41814823900619574
Energy: 0.2737052598201427
Energy: 0.36366304988093207
Energy: 0.2737052598201427
Energy: 0.4527807403816021
Energy: 0.21903562127444298
Energy: 0.36407698566861035
Energy: 0.21903562127444298
Energy: 0.4235194598485664
Energy: 0.22027756227889803
Energy: 0.31923960423794756
Energy: 0.22027756227889803
Energy: 0.4535531257489761
Energy: 0.21976268668283294
Energy: 0.3178075078091205
Energy: 0.21976268668283294
Energy: 0.46319049382500477
Energy: 0.219325656822089
Energy: 0.3191604524878232
Energy: 0.2193256568216579
Energy: 0.4244997698541646
Energy: 0.22084360108033896
Energy: 0.25488755289970877
Energy: 0.22084360108033896
Energy: 0.48418232600009004
Energy: 0.21916077415091603
Energy: 0.25081774647477106
Energy: 0.21916077415091603
Energy: 0.45859149067594146
Energy: 0.21985108067248427
Energy: 0.2547185135906726
Energy: 0.21985108067248427
Energy: 0.42573516393179617
Energy: 0.2216616295527943
Energy: 0.22187049585222313
Energy: 0.2216616295527943
Energy: 0.469243098007222
Energy: 0.2190653934760229
Energy: 0.21904669473304997
Energy: 0.2190653934760229
Energy: 0.4423751957847518
Energy: 0.22080071070116192
Energy: 0.22013747177719512
Energy: 0.22080071070073085

minimum gb energy = 0.21788230590210517 eV
minimum distance =  2.68258620340143 Angstroms
sigma value = 113


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

Energy: 0.012723759949627319
Energy: 0.18321462723049278
Energy: 0.34697908414324585
Energy: 0.1832146272301798
Energy: 0.2157227096490037
Energy: 0.050754460849795235
Energy: 0.2155389529923701
Energy: 0.050754460849795235
Energy: 0.013243737438055398
Energy: 0.04997131259701937
Energy: 0.21491392840908582
Energy: 0.04997131259701937
Energy: 0.013814210550896634
Energy: 0.05202163336985813
Energy: 0.21664963410953925
Energy: 0.052021633370189516
Energy: 0.21614332888879237
Energy: 0.052330552110162694
Energy: 0.21534979503855722
Energy: 0.05233055210918694
Energy: 0.013149160910993433
Energy: 0.04986546100825358
Energy: 0.21489341771575618
Energy: 0.04986546100794059

minimum gb energy = 0.012723759949627319 eV
minimum distance =  2.91700845262106 Angstroms
sigma value = 1