Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.870000079274177
cohesive_energy=4.280336473607806
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -1e-07 eV

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

Energy: 0.01312579390927885
Energy: 0.013438268802786126
Energy: 0.567315015564164
Energy: 0.013438268802786126
Energy: 0.013125793908808938
Energy: 0.013438268802786126
Energy: 0.01343826880328368
Energy: 2.6665586282338882
Energy: 0.013438268802786126
Energy: 2.666558628235353
Energy: 0.013438268803753591
Energy: 2.6665586282343856
Energy: 0.5673150155631965
Energy: 0.013438268802786126
Energy: 0.013125793908808938
Energy: 0.01343826880328368
Energy: 0.5673150155636665
Energy: 0.013438268802786126
Energy: 0.013438268802786126
Energy: 2.6665586282338882
Energy: 0.01343826880328368
Energy: 2.666558628235353
Energy: 0.01343826880328368
Energy: 2.666558628234856
Energy: 0.013125793908808938
Energy: 0.01343826880328368
Energy: 0.5673150155631965
Energy: 0.01343826880328368
Energy: 0.013125793908311385
Energy: 0.013438268802288572
Energy: 0.013438268802288572
Energy: 2.6665586282338882
Energy: 0.013438268802786126
Energy: 2.6665586282338882
Energy: 0.01343826880328368
Energy: 2.6665586282343856

minimum gb energy = 0.013125793908311385 eV
minimum distance =  2.43268947078741 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.4152200370340344
Energy: 1.4853270082709948
Energy: 1.2947412648391525
Energy: 1.4853270082709948
Energy: 1.415220037035232
Energy: 1.4853270082709948
Energy: 1.3572221002618166
Energy: 1.4548148252368305
Energy: 1.3556360799563942
Energy: 1.4548148252368305
Energy: 1.3572221002630143
Energy: 1.4548148252368305
Energy: 1.2821059510056438
Energy: 1.4545353183681635
Energy: 1.4204651947705242
Energy: 1.4545353183681635
Energy: 1.2821059510056438
Energy: 1.4545353183669663
Energy: 1.282625981137449
Energy: 1.4295057250563046
Energy: 1.262988538672292
Energy: 1.4295057250575023
Energy: 1.2826259811386467
Energy: 1.4295057250575023
Energy: 1.4627251278938211
Energy: 1.4859095447730952
Energy: 1.4625041649872075
Energy: 1.4859095447730952
Energy: 1.4627251278938211
Energy: 1.4859095447730952
Energy: 1.4209576334662983
Energy: 1.454943934886937
Energy: 1.2894710618636525
Energy: 1.454943934886937
Energy: 1.4209576334662983
Energy: 1.4549439348881348
Energy: 1.4208237143356752
Energy: 1.4549624426698766
Energy: 1.2826037040967357
Energy: 1.4549624426698766
Energy: 1.4208237143356752
Energy: 1.4549624426698766
Energy: 1.4903934098055305
Energy: 1.4857986989871215
Energy: 1.2634175416902504
Energy: 1.4857986989871215
Energy: 1.4903934098055305
Energy: 1.4857986989871215
Energy: 1.3882015986561682
Energy: 1.430495930908374
Energy: 1.2625282100822446
Energy: 1.430495930908374
Energy: 1.3882015986573657
Energy: 1.4304959309071763
Energy: 1.4225557993455284
Energy: 1.4543322847892237
Energy: 1.2904072209884405
Energy: 1.4543322847904214
Energy: 1.4225557993455284
Energy: 1.4543322847904214
Energy: 1.3580667802950093
Energy: 1.4407135301689882
Energy: 1.3562077433396653
Energy: 1.440713530167791
Energy: 1.3580667802950093
Energy: 1.440713530167791
Energy: 1.2647406127614678
Energy: 1.4854809895759244
Energy: 1.2647328256078996
Energy: 1.4854809895759244
Energy: 1.2647406127614678
Energy: 1.4854809895759244
Energy: 1.3566022092076953
Energy: 1.4407135301689882
Energy: 1.2870263987878807
Energy: 1.4407135301689882
Energy: 1.3566022092076953
Energy: 1.4407135301689882
Energy: 1.2901255485313101
Energy: 1.4543534595821963
Energy: 1.4225508005873848
Energy: 1.4543534595833942
Energy: 1.2901255485313101
Energy: 1.4543534595833942
Energy: 1.2625762014888908
Energy: 1.4305151901550124
Energy: 1.388334060649929
Energy: 1.4305151901550124
Energy: 1.2625762014888908
Energy: 1.4305151901550124
Energy: 1.2634345566471323
Energy: 1.485898179012513
Energy: 1.4903112524467401
Energy: 1.485898179012513
Energy: 1.2634345566471323
Energy: 1.485898179012513
Energy: 1.2825537928054012
Energy: 1.455208487238652
Energy: 1.420866854600085
Energy: 1.455208487238652
Energy: 1.2825537928065984
Energy: 1.455208487238652
Energy: 1.2894714708694806
Energy: 1.4549624067927005
Energy: 1.4208948990129426
Energy: 1.4549624067927005
Energy: 1.2894714708682826
Energy: 1.4549624067927005
Energy: 1.3532978399904192
Energy: 1.486130860952624
Energy: 1.462721927687672
Energy: 1.4861308609514268
Energy: 1.3532978399904192
Energy: 1.4861308609514268
Energy: 1.2630881677729555
Energy: 1.4299561445137843
Energy: 1.284156157838433
Energy: 1.4299561445125866
Energy: 1.2630881677729555
Energy: 1.4299561445125866
Energy: 1.4205503087135711
Energy: 1.4545292255650353
Energy: 1.2820998305820448
Energy: 1.4545292255662328
Energy: 1.4205503087135711
Energy: 1.4545292255662328
Energy: 1.3557183939516404
Energy: 1.4549207514759444
Energy: 1.3573567466332495
Energy: 1.454920751477142
Energy: 1.3557183939516404
Energy: 1.4549207514759444
Energy: 1.4080534269659541
Energy: 1.4853270082709948
Energy: 1.4152200370340344
Energy: 1.4853270082709948
Energy: 1.4080534269659541
Energy: 1.4853270082709948

minimum gb energy = 1.2625282100822446 eV
minimum distance =  2.28024673010025 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8647103639460685
Energy: 1.5783503163531345
Energy: 1.3676163334695648
Energy: 1.5783503163538157
Energy: 1.8647103639453873
Energy: 1.5783503163538157
Energy: 1.398745770698541
Energy: 1.5328375903607785
Energy: 1.4137936177176755
Energy: 1.5328375903607785
Energy: 1.3987457706992223
Energy: 1.5328375903607785
Energy: 1.3296712673622657
Energy: 1.5718633040821435
Energy: 1.536900398369978
Energy: 1.5718633040814622
Energy: 1.3296712673622657
Energy: 1.5718633040814622
Energy: 1.4118487566108704
Energy: 1.5161416080039176
Energy: 1.6008037340855583
Energy: 1.5161416080045989
Energy: 1.4118487566115516
Energy: 1.5161416080045989
Energy: 1.4120483666775048
Energy: 1.5457915145259493
Energy: 1.5604255916725893
Energy: 1.5457915145259493
Energy: 1.4120483666775048
Energy: 1.5457915145259493
Energy: 1.3986753405296108
Energy: 1.5491680681831352
Energy: 1.3490070821289042
Energy: 1.549168068182454
Energy: 1.3986753405289296
Energy: 1.5491680681831352
Energy: 1.3976544613411024
Energy: 1.547753430662126
Energy: 1.4801988127031895
Energy: 1.5477534306628071
Energy: 1.3976544613417834
Energy: 1.547753430662126
Energy: 1.3495464699185753
Energy: 1.545893489076502
Energy: 1.4632152837869716
Energy: 1.5458934890771832
Energy: 1.3495464699185753
Energy: 1.545893489076502
Energy: 1.4114426842261656
Energy: 1.5166958870068503
Energy: 1.5258671295708939
Energy: 1.5166958870068503
Energy: 1.411442684227528
Energy: 1.5166958870068503
Energy: 1.3977216182983274
Energy: 1.572085827138509
Energy: 1.4115898026258045
Energy: 1.5720858271378277
Energy: 1.3977216182990089
Energy: 1.5720858271371465
Energy: 1.3710587851887819
Energy: 1.5302564535052054
Energy: 1.4126289295782424
Energy: 1.5302564535052054
Energy: 1.3710587851887819
Energy: 1.5302564535052054
Energy: 1.53709161398037
Energy: 1.5458459702630885
Energy: 1.4115570534859971
Energy: 1.5458459702630885
Energy: 1.53709161398037
Energy: 1.5458459702630885
Energy: 1.5983588842994632
Energy: 1.528427145636291
Energy: 1.4040742914604494
Energy: 1.5284271456356098
Energy: 1.5983588842994632
Energy: 1.5284271456356098
Energy: 1.4888846203630364
Energy: 1.57169628353471
Energy: 1.3969996051857718
Energy: 1.57169628353471
Energy: 1.4888846203630364
Energy: 1.57169628353471
Energy: 1.5380672713839925
Energy: 1.5460168598045747
Energy: 1.5482980087512177
Energy: 1.5460168598045747
Energy: 1.5380672713839925
Energy: 1.5460168598045747
Energy: 1.5371785799117537
Energy: 1.545729561381472
Energy: 1.4388433931006661
Energy: 1.545729561380791
Energy: 1.537178579912435
Energy: 1.545729561381472
Energy: 1.5611948060352518
Energy: 1.5471594096563885
Energy: 1.4115268044479772
Energy: 1.5471594096570698
Energy: 1.5611948060345706
Energy: 1.5471594096570698
Energy: 1.561696980078775
Energy: 1.531773956469282
Energy: 1.549473177564259
Energy: 1.531773956469282
Energy: 1.5616969800794565
Energy: 1.531773956469282
Energy: 1.3493248390806196
Energy: 1.545839519733723
Energy: 1.4308060767650408
Energy: 1.5458395197344041
Energy: 1.3493248390799384
Energy: 1.5458395197344041
Energy: 1.4118974000059106
Energy: 1.516533010331872
Energy: 1.3989325717089178
Energy: 1.5165330103311907
Energy: 1.4118974000052293
Energy: 1.5165330103311907
Energy: 1.5271803000233517
Energy: 1.5719270539139796
Energy: 1.3679121524332836
Energy: 1.5719270539139796
Energy: 1.5271803000233517
Energy: 1.5719270539139796
Energy: 1.406850657422732
Energy: 1.530790886140702
Energy: 1.5995183715500592
Energy: 1.5307908861400206
Energy: 1.406850657422732
Energy: 1.5307908861400206
Energy: 1.4114344164372148
Energy: 1.5457580345955861
Energy: 1.519714011651932
Energy: 1.545758034594905
Energy: 1.4114344164372148
Energy: 1.545758034594905
Energy: 1.560557514321256
Energy: 1.5319460065870096
Energy: 1.4114009485089272
Energy: 1.5319460065876906
Energy: 1.560557514321256
Energy: 1.5319460065876906
Energy: 1.43953152123913
Energy: 1.550653567054915
Energy: 1.5369485286339288
Energy: 1.5506535670555963
Energy: 1.4395315212384487
Energy: 1.5506535670555963
Energy: 1.3985782440321288
Energy: 1.5738912388500559
Energy: 1.4107230091787692
Energy: 1.5738912388507371
Energy: 1.3985782440321288
Energy: 1.5738912388500559
Energy: 1.3983953478994096
Energy: 1.5739003238747593
Energy: 1.3820137754088244
Energy: 1.5739003238747593
Energy: 1.3983953478994096
Energy: 1.5739003238747593
Energy: 1.4393349922856868
Energy: 1.5506482416226521
Energy: 1.536982370624241
Energy: 1.5506482416233336
Energy: 1.4393349922850054
Energy: 1.5506482416233336
Energy: 1.5606516500857144
Energy: 1.531958216375239
Energy: 1.4114799121819845
Energy: 1.531958216375239
Energy: 1.5606516500857144
Energy: 1.531958216375239
Energy: 1.411420665784287
Energy: 1.5457461926463856
Energy: 1.476245325581452
Energy: 1.5457461926470668
Energy: 1.411420665784287
Energy: 1.5457461926470668
Energy: 1.371164471702083
Energy: 1.530790886140702
Energy: 1.599426931809071
Energy: 1.5307908861400206
Energy: 1.3711644717054894
Energy: 1.5307908861400206
Energy: 1.5270933885084987
Energy: 1.5719659928567027
Energy: 1.3681041210002933
Energy: 1.571965992857384
Energy: 1.5270933885084987
Energy: 1.571965992857384
Energy: 1.4118266523670644
Energy: 1.5165167652856362
Energy: 1.398565783015594
Energy: 1.516516765284955
Energy: 1.4118266523663832
Energy: 1.516516765284955
Energy: 1.3493293101276713
Energy: 1.5458486334780057
Energy: 1.3978487628195944
Energy: 1.5458486334780057
Energy: 1.3493293101276713
Energy: 1.5458486334780057
Energy: 1.5613834609515511
Energy: 1.5317569077616227
Energy: 1.6262853431115143
Energy: 1.5317569077616227
Energy: 1.5613834609515511
Energy: 1.5317569077609414
Energy: 1.5611157812943584
Energy: 1.5471618330171342
Energy: 1.4115066748654652
Energy: 1.5471618330171342
Energy: 1.5611157812943584
Energy: 1.5471618330171342
Energy: 1.53708468056208
Energy: 1.5456911989739608
Energy: 1.3814731775279097
Energy: 1.5456911989739608
Energy: 1.53708468056208
Energy: 1.5456911989739608
Energy: 1.5377363951150902
Energy: 1.5458362860684234
Energy: 1.548043875263696
Energy: 1.5458362860677421
Energy: 1.5377363951150902
Energy: 1.5458362860677421
Energy: 1.4888735747320698
Energy: 1.5716899332579755
Energy: 1.3970194797341495
Energy: 1.5716899332579755
Energy: 1.4888735747320698
Energy: 1.5716899332579755
Energy: 1.5992035238284674
Energy: 1.528504120668547
Energy: 1.404061203393868
Energy: 1.528504120668547
Energy: 1.5992035238284674
Energy: 1.528504120668547
Energy: 1.537071508882061
Energy: 1.545850763016826
Energy: 1.381365576223389
Energy: 1.5458507630161447
Energy: 1.537071508882061
Energy: 1.5458507630161447

minimum gb energy = 1.3296712673622657 eV
minimum distance =  2.26062242680037 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.6287728857596768
Energy: 1.6150320084164018
Energy: 1.5244996835157731
Energy: 1.6150320084179801
Energy: 1.6287728857596768
Energy: 1.6150320084179801
Energy: 1.3659438378438207
Energy: 1.6529781155973327
Energy: 1.7209759266427616
Energy: 1.6529781156004895
Energy: 1.3659438378422424
Energy: 1.6529781155973327
Energy: 1.3662279551893528
Energy: 1.6151993946510135
Energy: 1.7208902493875973
Energy: 1.615199394652592
Energy: 1.3662279551893528
Energy: 1.615199394652592
Energy: 1.3809875837855163
Energy: 1.5566770898372297
Energy: 1.7208961375231964
Energy: 1.5566770898372297
Energy: 1.3809875837855163
Energy: 1.5566770898372297
Energy: 1.3666941328217923
Energy: 1.5591210578932955
Energy: 1.6248019696272988
Energy: 1.5591210578932955
Energy: 1.3666941328217923
Energy: 1.5591210578932955
Energy: 1.629029507063289
Energy: 1.5564372772502306
Energy: 1.772799499307402
Energy: 1.5564372772502306
Energy: 1.629029507063289
Energy: 1.5564372772502306
Energy: 1.6291896004498485
Energy: 1.558366410673593
Energy: 1.4981804643737189
Energy: 1.5583664106751716
Energy: 1.6291896004498485
Energy: 1.5583664106751716
Energy: 1.3817887698881635
Energy: 1.5566158102171963
Energy: 1.3370916464793996
Energy: 1.5566158102156182
Energy: 1.3817887698881635
Energy: 1.5566158102140397
Energy: 1.7136782692855295
Energy: 1.5735189815109731
Energy: 1.3400352973616563
Energy: 1.5735189815125517
Energy: 1.7136782692855295
Energy: 1.5735189815125517
Energy: 1.3659427350109394
Energy: 1.6158807109192803
Energy: 1.3370798747709411
Energy: 1.6158807109208586
Energy: 1.3659427350093611
Energy: 1.6158807109208586
Energy: 1.7123613013168593
Energy: 1.5591850988009244
Energy: 1.7210618273624614
Energy: 1.5591850988009244
Energy: 1.7123613013168593
Energy: 1.5591850988009244
Energy: 1.632185221592524
Energy: 1.6155962967112814
Energy: 1.7725749576230896
Energy: 1.6155962967112814
Energy: 1.632185221592524
Energy: 1.6155962967112814
Energy: 1.5290286158582775
Energy: 1.557464661858936
Energy: 1.7212299392418278
Energy: 1.557464661858936
Energy: 1.5290286158582775
Energy: 1.557464661858936
Energy: 1.3657382926349106
Energy: 1.615448354917654
Energy: 1.7209525670473298
Energy: 1.6154483549160754
Energy: 1.3657382926349106
Energy: 1.6154483549160754
Energy: 1.3658593186979757
Energy: 1.6176269172159108
Energy: 1.720994993461737
Energy: 1.6176269172143325
Energy: 1.3658593186963977
Energy: 1.6176269172143325
Energy: 1.3669014964662363
Energy: 1.5683765615045375
Energy: 1.7208597647976611
Energy: 1.5683765615029588
Energy: 1.3669014964646582
Energy: 1.5683765615029588
Energy: 1.6288700585571714
Energy: 1.6182223517979302
Energy: 1.7707897247140214
Energy: 1.6182223517979302
Energy: 1.6288700585571714
Energy: 1.6182223517979302
Energy: 1.6290982832730172
Energy: 1.5560392602182112
Energy: 1.7207765419791174
Energy: 1.5560392602166326
Energy: 1.6290982832745957
Energy: 1.5560392602182112

minimum gb energy = 1.3370798747709411 eV
minimum distance =  2.24533397923388 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.7552862288339373
Energy: 1.6957493430579644
Energy: 1.4427995220949572
Energy: 1.6957493430579644
Energy: 1.7552862288348734
Energy: 1.6957493430579644
Energy: 1.4500950429610988
Energy: 1.646981156706324
Energy: 1.5261914377414951
Energy: 1.646981156706324
Energy: 1.4500950429620352
Energy: 1.646981156706324
Energy: 1.4038349224280695
Energy: 1.6810021044990187
Energy: 1.5703126913533592
Energy: 1.6810021044990187
Energy: 1.4038349224280695
Energy: 1.6810021044990187
Energy: 1.4750121320627811
Energy: 1.6449718073791355
Energy: 1.7278654061965077
Energy: 1.6449718073791355
Energy: 1.475012132061845
Energy: 1.6449718073791355
Energy: 1.4433462447574879
Energy: 1.6813152551699666
Energy: 1.799874511499394
Energy: 1.6813152551699666
Energy: 1.4433462447574879
Energy: 1.681315255170903
Energy: 1.7340616541155476
Energy: 1.6814825799671147
Energy: 1.44334941483715
Energy: 1.6814825799671147
Energy: 1.7340616541155476
Energy: 1.6814825799671147
Energy: 1.727874776119028
Energy: 1.6448869438483082
Energy: 1.4423471557898084
Energy: 1.6448869438483082
Energy: 1.727874776119028
Energy: 1.6448869438483082
Energy: 1.570406163383385
Energy: 1.6809800893297377
Energy: 1.4038319519115943
Energy: 1.6809800893297377
Energy: 1.570406163383385
Energy: 1.6809800893297377
Energy: 1.5265126751460896
Energy: 1.646951799079143
Energy: 1.40396549269809
Energy: 1.646951799079143
Energy: 1.5265126751460896
Energy: 1.6469517990782065
Energy: 1.5275092740160092
Energy: 1.6957493430579644
Energy: 1.7552862288339373
Energy: 1.6957493430579644
Energy: 1.5275092740160092
Energy: 1.6957493430579644
Energy: 1.5261914377424313
Energy: 1.646981156706324
Energy: 1.420126685873463
Energy: 1.646981156706324
Energy: 1.5261914377414951
Energy: 1.646981156706324
Energy: 1.5703126913533592
Energy: 1.6810021044990187
Energy: 1.4038349224271334
Energy: 1.6810021044980825
Energy: 1.5703126913533592
Energy: 1.6810021044980825
Energy: 1.7278654061965077
Energy: 1.6449718073791355
Energy: 1.442343487471832
Energy: 1.6449718073791355
Energy: 1.7278654061965077
Energy: 1.6449718073791355
Energy: 1.799874511499394
Energy: 1.6813152551699666
Energy: 1.443346244756552
Energy: 1.6813152551699666
Energy: 1.7998745115003305
Energy: 1.6813152551699666
Energy: 1.44334941483715
Energy: 1.6814825799661783
Energy: 1.7340616541146114
Energy: 1.6814825799661783
Energy: 1.4433494148362136
Energy: 1.6814825799661783
Energy: 1.506871002464118
Energy: 1.6448869438473719
Energy: 1.727874776119943
Energy: 1.6448869438473719
Energy: 1.506871002464118
Energy: 1.6448869438473719
Energy: 1.4038319519115943
Energy: 1.6809800893297377
Energy: 1.570406163383385
Energy: 1.6809800893297377
Energy: 1.4038319519115943
Energy: 1.6809800893297377
Energy: 1.4039654926971536
Energy: 1.6469517990782065
Energy: 1.5265126751451537
Energy: 1.6469517990782065
Energy: 1.4039654926971536
Energy: 1.6469517990782065
Energy: 1.7552862288339373
Energy: 1.6957493430579644
Energy: 1.5006790136505868
Energy: 1.6957493430579644
Energy: 1.7552862288339373
Energy: 1.6957493430579644
Energy: 1.4201266858743993
Energy: 1.6469811567072603
Energy: 1.5261914377414951
Energy: 1.6469811567072603
Energy: 1.4201266858743993
Energy: 1.6469811567072603
Energy: 1.4038349224280695
Energy: 1.6810021044990187
Energy: 1.5703126913533592
Energy: 1.6810021044990187
Energy: 1.4038349224280695
Energy: 1.6810021044990187
Energy: 1.4423434874708956
Energy: 1.6449718073791355
Energy: 1.7278654061965077
Energy: 1.6449718073791355
Energy: 1.4423434874708956
Energy: 1.6449718073791355
Energy: 1.4433462447574879
Energy: 1.6813152551699666
Energy: 1.799874511499394
Energy: 1.6813152551699666
Energy: 1.4433462447574879
Energy: 1.6813152551699666
Energy: 1.6611231230453511
Energy: 1.6814825799671147
Energy: 1.44334941483715
Energy: 1.6814825799671147
Energy: 1.6611231230453511
Energy: 1.6814825799671147
Energy: 1.727874776119028
Energy: 1.6448869438483082
Energy: 1.506871002464118
Energy: 1.6448869438483082
Energy: 1.727874776119028
Energy: 1.6448869438483082
Energy: 1.570406163383385
Energy: 1.6809800893297377
Energy: 1.4038319519115943
Energy: 1.6809800893297377
Energy: 1.570406163383385
Energy: 1.6809800893297377
Energy: 1.5265126751460896
Energy: 1.6469517990782065
Energy: 1.4039654926971536
Energy: 1.6469517990782065
Energy: 1.5265126751460896
Energy: 1.6469517990782065
Energy: 1.5006790136505868
Energy: 1.6957493430579644
Energy: 1.7552862288339373
Energy: 1.6957493430579644
Energy: 1.5006790136505868
Energy: 1.6957493430579644
Energy: 1.5261914377424313
Energy: 1.646981156706324
Energy: 1.420126685873463
Energy: 1.646981156706324
Energy: 1.5261914377424313
Energy: 1.646981156706324
Energy: 1.5703126913533592
Energy: 1.6810021044980825
Energy: 1.4038349224271334
Energy: 1.6810021044990187
Energy: 1.5703126913533592
Energy: 1.6810021044990187

minimum gb energy = 1.4038319519115943 eV
minimum distance =  2.2398938580237 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4878901896829853
Energy: 1.6529098783427254
Energy: 1.4242627258913678
Energy: 1.652909878342491
Energy: 1.4878901896829853
Energy: 1.6529098783422564
Energy: 1.325326777532869
Energy: 1.5095295424905157
Energy: 1.5353929554170813
Energy: 1.509529542490073
Energy: 1.3253267775326347
Energy: 1.5095295424902813
Energy: 1.507949061637123
Energy: 1.5782176067271303
Energy: 1.5075270473126576
Energy: 1.5782176067264269
Energy: 1.507949061637123
Energy: 1.5782176067275735
Energy: 1.322692515873072
Energy: 1.6051415632565686
Energy: 1.361989863452714
Energy: 1.6051415632570378
Energy: 1.3226925158728373
Energy: 1.6051415632570378
Energy: 1.564710957315066
Energy: 1.6051636478994005
Energy: 1.5279600432860654
Energy: 1.6051636478994005
Energy: 1.564710957315066
Energy: 1.6051636478996347
Energy: 1.5083234927689768
Energy: 1.5780613505577117
Energy: 1.5320081206955933
Energy: 1.5780613505560959
Energy: 1.5083234927689768
Energy: 1.5780613505563306
Energy: 1.532515615253493
Energy: 1.6734773977046833
Energy: 1.5077587619570876
Energy: 1.6734773977053872
Energy: 1.532515615253962
Energy: 1.6734773977049182
Energy: 1.486653731735883
Energy: 1.6420610336634072
Energy: 1.5261188602145839
Energy: 1.6420610336636154
Energy: 1.486653731735883
Energy: 1.6420610336636154
Energy: 1.5318665667435907
Energy: 1.6423636912695827
Energy: 1.5265501926000755
Energy: 1.6423636912700255
Energy: 1.5318665667435907
Energy: 1.6423636912704946
Energy: 1.5083279303635941
Energy: 1.7730487807395108
Energy: 1.5081147586667605
Energy: 1.7730487807402142
Energy: 1.5083279303638286
Energy: 1.773048780739276
Energy: 1.3251160210096007
Energy: 1.6053030234560006
Energy: 1.3617074461780923
Energy: 1.6053030234553227
Energy: 1.3251160210096007
Energy: 1.6053030234553227
Energy: 1.5721042334749509
Energy: 1.604747818302801
Energy: 1.322899572067826
Energy: 1.6047478183034785
Energy: 1.5721042334749509
Energy: 1.6047478183034785

minimum gb energy = 1.3226925158728373 eV
minimum distance =  2.25470934958796 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.7358808591981711
Energy: 1.7764111208116307
Energy: 1.5754435521299972
Energy: 1.7764111208116307
Energy: 1.7358808591981711
Energy: 1.7764111208116307
Energy: 1.513768990812912
Energy: 1.7229251436600308
Energy: 1.4656702972964557
Energy: 1.7262846858476077
Energy: 1.513768990814845
Energy: 1.7229251436593864
Energy: 1.44728039598005
Energy: 1.7751759621971719
Energy: 1.4654896562165323
Energy: 1.7751759621971719
Energy: 1.44728039598005
Energy: 1.7751759621965277
Energy: 1.4330926097894818
Energy: 1.7557268120638554
Energy: 1.3899852859463526
Energy: 1.7557268120638554
Energy: 1.4330926097901262
Energy: 1.7557268120638554
Energy: 1.43129982206712
Energy: 1.7543557869018027
Energy: 1.4034642159464845
Energy: 1.7543557869018027
Energy: 1.43129982206712
Energy: 1.7543557869018027
Energy: 1.4054515266867313
Energy: 1.7006248753571798
Energy: 1.4468400922515725
Energy: 1.6719126218925822
Energy: 1.4054515266867313
Energy: 1.7006248753565354
Energy: 1.4998367303430742
Energy: 1.7588674293735864
Energy: 1.4467633748143756
Energy: 1.7588674293735864
Energy: 1.4998367303430742
Energy: 1.7588674293735864
Energy: 1.5852494095421898
Energy: 1.7552286123785412
Energy: 1.498175948675491
Energy: 1.7552286123785412
Energy: 1.5852494095421898
Energy: 1.7552286123785412
Energy: 1.5259886557295144
Energy: 1.6852452560846112
Energy: 1.4897973383857779
Energy: 1.6852452560839668
Energy: 1.5259886557295144
Energy: 1.6852452560846112
Energy: 1.5743460295379583
Energy: 1.7656423110413295
Energy: 1.430127637222328
Energy: 1.765642311040685
Energy: 1.574346029538603
Energy: 1.765642311040685
Energy: 1.4933761901282077
Energy: 1.756791522085707
Energy: 1.4657407457820202
Energy: 1.756791522085707
Energy: 1.493376190128852
Energy: 1.756791522085707
Energy: 1.4675635214482705
Energy: 1.7555004607500582
Energy: 1.4470145194718873
Energy: 1.7555004607494138
Energy: 1.467563521448915
Energy: 1.7555004607494138
Energy: 1.4034296236891994
Energy: 1.6733786189616378
Energy: 1.3903791176572209
Energy: 1.6733786189622821
Energy: 1.4034296236891994
Energy: 1.6733786189616378
Energy: 1.5827373864671275
Energy: 1.7760200469166993
Energy: 1.3905016690706193
Energy: 1.7760200469166993
Energy: 1.5827373864671275
Energy: 1.7760200469166993
Energy: 1.4657103511886302
Energy: 1.7576466664835049
Energy: 1.4920275655507584
Energy: 1.7576466664828607
Energy: 1.4657103511879859
Energy: 1.7576466664828607
Energy: 1.5295494800076228
Energy: 1.7476515940476343
Energy: 1.4469599787860685
Energy: 1.7476515940476343
Energy: 1.5295494800069789
Energy: 1.7476515940476343
Energy: 1.5762838973470894
Energy: 1.767734823471543
Energy: 1.4305796809837226
Energy: 1.767734823471543
Energy: 1.5762838973477338
Energy: 1.767734823471543
Energy: 1.4579564495772372
Energy: 1.6723047988038335
Energy: 1.4658483174569932
Energy: 1.6723047988038335
Energy: 1.4579564495772372
Energy: 1.6723047988038335
Energy: 1.586076682361003
Energy: 1.779188832330182
Energy: 1.4032298477160576
Energy: 1.779188832329538
Energy: 1.586076682361003
Energy: 1.779188832329538
Energy: 1.4032739630349536
Energy: 1.7822793643577388
Energy: 1.4031380898132386
Energy: 1.7953509072494105
Energy: 1.4032739630349536
Energy: 1.7645757121003478
Energy: 1.403216754897101
Energy: 1.779175502328294
Energy: 1.5862955202082127
Energy: 1.7791755023276496
Energy: 1.403216754897101
Energy: 1.779175502328294
Energy: 1.465871617999252
Energy: 1.6724816208757995
Energy: 1.4579769532430096
Energy: 1.672481620875155
Energy: 1.465871617999252
Energy: 1.672481620875155
Energy: 1.4305770155077424
Energy: 1.7676904809957323
Energy: 1.576072612006367
Energy: 1.7676904809957323
Energy: 1.430577015507098
Energy: 1.7676904809957323
Energy: 1.4469095564939394
Energy: 1.7477830165109325
Energy: 1.5295793579838595
Energy: 1.7477830165109325
Energy: 1.446909556493295
Energy: 1.7477830165109325
Energy: 1.4921017593327424
Energy: 1.7574218227176828
Energy: 1.4658893567491178
Energy: 1.7574218227176828
Energy: 1.4921017593301649
Energy: 1.7574218227176828
Energy: 1.3905267041387472
Energy: 1.7759645860004625
Energy: 1.5828536352794194
Energy: 1.7759645860011068
Energy: 1.3905267041387472
Energy: 1.7759645860011068
Energy: 1.3905042947479116
Energy: 1.673253074086806
Energy: 1.4034432214034576
Energy: 1.6732530740874503
Energy: 1.3905042947472674
Energy: 1.6732530740874503
Energy: 1.4469246088682552
Energy: 1.7554149756563429
Energy: 1.4674853487610264
Energy: 1.7554149756569872
Energy: 1.4469246088682552
Energy: 1.7554149756569872
Energy: 1.4657650165500162
Energy: 1.7567439585657585
Energy: 1.4654999784618856
Energy: 1.756743958566403
Energy: 1.4657650165500162
Energy: 1.7567439585657585
Energy: 1.430071762707435
Energy: 1.7656450197437839
Energy: 1.5743522971389086
Energy: 1.7656450197431395
Energy: 1.430071762707435
Energy: 1.7656450197424949
Energy: 1.465504808599499
Energy: 1.6852452560865443
Energy: 1.5208775561412022
Energy: 1.6852452560859001
Energy: 1.4655048086001436
Energy: 1.6852452560859001
Energy: 1.4980865801095324
Energy: 1.7552013088927294
Energy: 1.5852842503138809
Energy: 1.7552013088933738
Energy: 1.498086580108888
Energy: 1.7552013088933738
Energy: 1.4469362034110052
Energy: 1.7588730254363738
Energy: 1.4995782142516263
Energy: 1.7588730254369889
Energy: 1.4469362034116495
Energy: 1.7588730254369889
Energy: 1.4469057397403204
Energy: 1.7191400674439157
Energy: 1.405447480643559
Energy: 1.7191400674432713
Energy: 1.4469057397403204
Energy: 1.7191400674439157
Energy: 1.389983059622906
Energy: 1.7542962105694748
Energy: 1.4313332231088924
Energy: 1.7542962105694748
Energy: 1.38998305962355
Energy: 1.7542962105694748
Energy: 1.3899487548794764
Energy: 1.7555945437689688
Energy: 1.43330529789229
Energy: 1.7555945437689688
Energy: 1.3899487548794764
Energy: 1.7555945437689688
Energy: 1.4654845645601657
Energy: 1.7751462637586288
Energy: 1.4472973195700862
Energy: 1.7751462637586288
Energy: 1.4654845645601657
Energy: 1.7751462637586288
Energy: 1.4656745806777376
Energy: 1.7133316565441619
Energy: 1.5138822849054092
Energy: 1.7133316565441619
Energy: 1.4656745806770934
Energy: 1.7133316565441619
Energy: 1.484232456815232
Energy: 1.7764111208129194
Energy: 1.7358808591975268
Energy: 1.7764111208116307
Energy: 1.484232456817165
Energy: 1.7764111208116307
Energy: 1.465670297295811
Energy: 1.7352251410506494
Energy: 1.5137689908167782
Energy: 1.7352251410506494
Energy: 1.4656702972964557
Energy: 1.7352251410506494
Energy: 1.4654896562171764
Energy: 1.7751759621965277
Energy: 1.44728039598005
Energy: 1.7751759621958831
Energy: 1.4654896562165323
Energy: 1.7751759621958831
Energy: 1.3899852859469968
Energy: 1.7557268120625666
Energy: 1.4330926097894818
Energy: 1.755726812063211
Energy: 1.3899852859469968
Energy: 1.755726812063211
Energy: 1.4164146869388077
Energy: 1.7543557869018027
Energy: 1.43129982206712
Energy: 1.7543557869011586
Energy: 1.416414686938163
Energy: 1.7543557869011586

minimum gb energy = 1.3899487548794764 eV
minimum distance =  2.21483707967452 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.4551206608311036
Energy: 1.713655902889284
Energy: 1.427815152500583
Energy: 1.713655902889284
Energy: 1.4551206608311036
Energy: 1.713655902889284
Energy: 1.2764917729243754
Energy: 1.6865591242381306
Energy: 1.3720932675588302
Energy: 1.6865591242381306
Energy: 1.2764917729258423
Energy: 1.6865591242381306
Energy: 1.2647607054959948
Energy: 1.6635465385813077
Energy: 1.31212256000726
Energy: 1.6635465385813077
Energy: 1.2647607054959948
Energy: 1.6635465385813077
Energy: 1.31041775299058
Energy: 1.6654746003246825
Energy: 1.371558904524977
Energy: 1.6654746003246825
Energy: 1.31041775299058
Energy: 1.6654746003246825
Energy: 1.3109882970810396
Energy: 1.7137133080784057
Energy: 1.3097579958947456
Energy: 1.7137133080784057
Energy: 1.3109882970810396
Energy: 1.7137133080784057
Energy: 1.3103735561744845
Energy: 1.6637818800419106
Energy: 1.2634466545228964
Energy: 1.6637818800419106
Energy: 1.3103735561744845
Energy: 1.6637818800419106
Energy: 1.3103469532424206
Energy: 1.6638112368437388
Energy: 1.2632406280732615
Energy: 1.6638112368437388
Energy: 1.3103469532424206
Energy: 1.6638112368437388
Energy: 1.3109685692952824
Energy: 1.7136171593788259
Energy: 1.371949857113191
Energy: 1.7136171593802925
Energy: 1.3109685692952824
Energy: 1.7136171593802925
Energy: 1.3105516700737747
Energy: 1.6655512490160203
Energy: 1.3099186337186364
Energy: 1.6655512490145534
Energy: 1.3105516700737747
Energy: 1.6655512490145534
Energy: 1.2647757707981417
Energy: 1.6635419791857136
Energy: 1.31102728238581
Energy: 1.6635419791857136
Energy: 1.2647757707981417
Energy: 1.6635419791857136
Energy: 1.2763611083177542
Energy: 1.6865591242395976
Energy: 1.3716248872762162
Energy: 1.6865591242395976
Energy: 1.2763611083177542
Energy: 1.6865591242395976
Energy: 1.4551206608311036
Energy: 1.713655902889284
Energy: 1.3684975005694036
Energy: 1.713655902889284
Energy: 1.4551206608311036
Energy: 1.713655902889284
Energy: 1.2764917729243754
Energy: 1.6865591242381306
Energy: 1.310279310023116
Energy: 1.6865591242381306
Energy: 1.2764917729243754
Energy: 1.6865591242381306
Energy: 1.2647607054959948
Energy: 1.6635465385813077
Energy: 1.3121225600717674
Energy: 1.6635465385813077
Energy: 1.2647607054959948
Energy: 1.6635465385813077
Energy: 1.31041775299058
Energy: 1.6654746003246825
Energy: 1.3095059753878218
Energy: 1.6654746003246825
Energy: 1.31041775299058
Energy: 1.6654746003246825
Energy: 1.3109882970810396
Energy: 1.7137133080784057
Energy: 1.3097579958947456
Energy: 1.7137133080784057
Energy: 1.3109882970810396
Energy: 1.7137133080784057
Energy: 1.3103735561744845
Energy: 1.6637818800419106
Energy: 1.2634466545228964
Energy: 1.6637818800419106
Energy: 1.3103735561744845
Energy: 1.6637818800419106
Energy: 1.3103469532424206
Energy: 1.6638112368437388
Energy: 1.2632406280717947
Energy: 1.6638112368437388
Energy: 1.3103469532424206
Energy: 1.6638112368437388
Energy: 1.3109685692952824
Energy: 1.7136171593802925
Energy: 1.3096407172280522
Energy: 1.7136171593788259
Energy: 1.3109685692952824
Energy: 1.7136171593788259

minimum gb energy = 1.2632406280717947 eV
minimum distance =  2.20619435669813 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.257139446185735
Energy: 1.633982717786907
Energy: 1.2422828408621778
Energy: 1.633982717786907
Energy: 1.257139446185735
Energy: 1.633982717786907
Energy: 1.1580931119263267
Energy: 1.2591915257659672
Energy: 1.1565152817460898
Energy: 1.2591915257648925
Energy: 1.1580931119252522
Energy: 1.2591915257648925
Energy: 1.2640918870133857
Energy: 1.5350553819096069
Energy: 1.2760637016876148
Energy: 1.5350553819085326
Energy: 1.2640918870133857
Energy: 1.5350553819085326
Energy: 1.168292132522871
Energy: 1.1925680202676763
Energy: 1.1558010579886178
Energy: 1.1925680202687508
Energy: 1.168292132522871
Energy: 1.1925680202687508
Energy: 1.1563052378160414
Energy: 1.6329646785756105
Energy: 1.2146033299758239
Energy: 1.6329646785766847
Energy: 1.1563052378160414
Energy: 1.6329646785766847
Energy: 1.1875864749755278
Energy: 1.6083171560839993
Energy: 1.1558811385960257
Energy: 1.6083171560839993
Energy: 1.1875864749755278
Energy: 1.6083171560839993
Energy: 1.1868194487388783
Energy: 1.5357506692597123
Energy: 1.1561629508523963
Energy: 1.535750669260787
Energy: 1.186819448739953
Energy: 1.535750669260787
Energy: 1.1899387391525473
Energy: 1.6333288226360705
Energy: 1.160373763120325
Energy: 1.633328822637145
Energy: 1.1899387391525473
Energy: 1.633328822637145
Energy: 1.1890700029232475
Energy: 1.632673086100613
Energy: 1.2875650945335217
Energy: 1.632673086100613
Energy: 1.1890700029232475
Energy: 1.632673086100613
Energy: 1.1878942942895574
Energy: 1.1569200774366597
Energy: 1.1560977998794935
Energy: 1.1569200774345108
Energy: 1.1878942942895574
Energy: 1.1569200774366597
Energy: 1.1868038072522986
Energy: 1.6075276127506146
Energy: 1.1559109086905026
Energy: 1.6075276127506146
Energy: 1.1868038072522986
Energy: 1.6075276127506146
Energy: 1.1574643707146521
Energy: 1.633156360771802
Energy: 1.156141431448406
Energy: 1.6331563607739512
Energy: 1.1574643707146521
Energy: 1.6331563607739512
Energy: 1.1872271360896003
Energy: 1.190875402677402
Energy: 1.1863856753077209
Energy: 1.190875402677402
Energy: 1.1872271360896003
Energy: 1.1908754026784762
Energy: 1.1561007961809133
Energy: 1.1565887150381944
Energy: 1.1862591527098725
Energy: 1.1565887150392689
Energy: 1.1561007961809133
Energy: 1.1565887150392689
Energy: 1.157435877483971
Energy: 1.260900536762187
Energy: 1.1561513390087643
Energy: 1.260900536762187
Energy: 1.157435877483971
Energy: 1.260900536762187
Energy: 1.2551449731770037
Energy: 1.6333945913064365
Energy: 1.1899956311542885
Energy: 1.6333945913064365
Energy: 1.255144973178078
Energy: 1.6333945913064365
Energy: 1.1690938305202114
Energy: 1.557957995925479
Energy: 1.1863705059143579
Energy: 1.557957995925479
Energy: 1.1690938305202114
Energy: 1.557957995925479
Energy: 1.2596376926746289
Energy: 1.1565714217962304
Energy: 1.2137671810264596
Energy: 1.1565714217962304
Energy: 1.2596376926746289
Energy: 1.1565714217973049
Energy: 1.1688809809941814
Energy: 1.1868289608864515
Energy: 1.1559910159119688
Energy: 1.1868289608864515
Energy: 1.1688809809941814
Energy: 1.1868289608843023
Energy: 1.1574013012923632
Energy: 1.633510598146199
Energy: 1.1944244868027458
Energy: 1.633510598146199
Energy: 1.1574013012923632
Energy: 1.633510598146199
Energy: 1.2559055568254278
Energy: 1.610090735065677
Energy: 1.1559797382750938
Energy: 1.610090735067826
Energy: 1.2559055568254278
Energy: 1.610090735067826
Energy: 1.1880357136935251
Energy: 1.1567881229782941
Energy: 1.1635453677519185
Energy: 1.156788122973996
Energy: 1.1880357136935251
Energy: 1.156788122961151
Energy: 1.191226830411036
Energy: 1.6331453786900365
Energy: 1.1603508977064008
Energy: 1.6331453786900365
Energy: 1.191226830411036
Energy: 1.6331453786900365
Energy: 1.1578518446331352
Energy: 1.6330335088346897
Energy: 1.158753825868688
Energy: 1.6330335088346897
Energy: 1.1578518446331352
Energy: 1.6330335088346897
Energy: 1.1914266642262745
Energy: 1.1573357738898822
Energy: 1.1557412750442413
Energy: 1.1573357738909567
Energy: 1.1914266642262745
Energy: 1.1573357738920311
Energy: 1.1880538115137833
Energy: 1.6074767923220348
Energy: 1.1633912663100885
Energy: 1.6074767923220348
Energy: 1.1880538115148578
Energy: 1.6074767923220348

minimum gb energy = 1.1557412750442413 eV
minimum distance =  2.24654042779576 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.5794185603466673
Energy: 1.5233961280255386
Energy: 1.3129493434092774
Energy: 1.5233961280255386
Energy: 1.5794185603475142
Energy: 1.5233961280255386
Energy: 1.4142778159565925
Energy: 1.1657677090952197
Energy: 1.0500089860766912
Energy: 1.1657677090952197
Energy: 1.4142778159565925
Energy: 1.1657677090960668
Energy: 1.1127999794140029
Energy: 1.487978773273796
Energy: 1.089489916672071
Energy: 1.4879787732746426
Energy: 1.1127999794140029
Energy: 1.4879787732746426
Energy: 1.4292782913545692
Energy: 1.0902438139066706
Energy: 1.0500688886389107
Energy: 1.0902438139083646
Energy: 1.4292782913545692
Energy: 1.0902438139083646
Energy: 1.1277208150400166
Energy: 1.1281419158488863
Energy: 1.1013222661929039
Energy: 1.1281419158488863
Energy: 1.1277208150400166
Energy: 1.1281419158488863
Energy: 1.0911240973570306
Energy: 1.4674022989195987
Energy: 1.0499794031983614
Energy: 1.4674022989195987
Energy: 1.0911240973561838
Energy: 1.4674022989204456
Energy: 1.0505649167752897
Energy: 1.4881256510101997
Energy: 1.0505705328646693
Energy: 1.4881256510101997
Energy: 1.0505649167761366
Energy: 1.4881256510101997
Energy: 1.1698356974551738
Energy: 1.4780645478025365
Energy: 1.0462957198557943
Energy: 1.4780645478025365
Energy: 1.1698356974551738
Energy: 1.4780645478025365
Energy: 1.0897708786026443
Energy: 1.0526111045691469
Energy: 1.3300339541560908
Energy: 1.0526111045674529
Energy: 1.0897708786026443
Energy: 1.0526111045674529
Energy: 1.4523140412399689
Energy: 1.4840096934378204
Energy: 1.4165919288770903
Energy: 1.4840096934386673
Energy: 1.4523140412399689
Energy: 1.4840096934378204
Energy: 1.4578247882438888
Energy: 1.4867615147151625
Energy: 1.416670222201525
Energy: 1.4867615147151625
Energy: 1.457824788243042
Energy: 1.4867615147151625
Energy: 1.0921336518865914
Energy: 1.4936295979114014
Energy: 1.0464564898632336
Energy: 1.5086188584870612
Energy: 1.0921336518865914
Energy: 1.477711666243761
Energy: 1.0896354310582417
Energy: 1.467151537116526
Energy: 1.3300058193624826
Energy: 1.467151537116526
Energy: 1.0896354310582417
Energy: 1.467151537116526
Energy: 1.0529402311968257
Energy: 1.483736623884325
Energy: 1.0502577047658097
Energy: 1.483736623884325
Energy: 1.0529402311968257
Energy: 1.483736623884325
Energy: 1.0904276063652931
Energy: 1.303521101720797
Energy: 1.0502443064045288
Energy: 1.3035211017191035
Energy: 1.09042760636614
Energy: 1.3035211017191035
Energy: 1.0509704390509285
Energy: 1.49974408321883
Energy: 1.050448730617832
Energy: 1.5088675384730132
Energy: 1.0509704390509285
Energy: 1.4816368943448157
Energy: 1.4141077939092481
Energy: 1.4876085764367475
Energy: 1.1012421318149335
Energy: 1.4876085764367475
Energy: 1.4141077939092481
Energy: 1.4876085764359006
Energy: 1.0485869483422763
Energy: 1.4833562847620578
Energy: 1.0899467912700629
Energy: 1.4833562847620578
Energy: 1.0485869483422763
Energy: 1.4833562847620578
Energy: 1.4143231346677292
Energy: 1.1657139997124377
Energy: 1.0500544600320956
Energy: 1.1657139997124377
Energy: 1.4143231346677292
Energy: 1.1657139997124377
Energy: 1.4183857492897176
Energy: 1.4994330235449396
Energy: 1.272239737588753
Energy: 1.5081828075062749
Energy: 1.4183857492897176
Energy: 1.481964727260984
Energy: 1.2343993940331044
Energy: 1.1656931500456522
Energy: 1.085938802902285
Energy: 1.165693150046499
Energy: 1.2343993940339513
Energy: 1.165693150046499
Energy: 1.048387634048697
Energy: 1.4833467127425222
Energy: 1.1246456751259326
Energy: 1.4833467127425222
Energy: 1.048387634048697
Energy: 1.4833467127425222
Energy: 1.4304129825701088
Energy: 1.0898263685611644
Energy: 1.0502071084588627
Energy: 1.0898263685603173
Energy: 1.4304129825701088
Energy: 1.0898263685603173
Energy: 1.0509657245583273
Energy: 1.1009169410196078
Energy: 1.0928561606731821
Energy: 1.0849381243180352
Energy: 1.0509657245583273
Energy: 1.4673227786324643
Energy: 1.266746359771401
Energy: 1.4663462325925591
Energy: 1.0502041053603244
Energy: 1.4663462325925591
Energy: 1.266746359771401
Energy: 1.4663462325925591
Energy: 1.052882921674964
Energy: 1.084960736978576
Energy: 1.0529888129822802
Energy: 1.0849607369836574
Energy: 1.052882921674964
Energy: 1.0849607369794227
Energy: 1.1660399325032533
Energy: 1.4821510144661485
Energy: 1.0455831317243094
Energy: 1.4821510144661485
Energy: 1.1660399325032533
Energy: 1.4821510144661485
Energy: 1.0922559680444415
Energy: 1.3120820896546916
Energy: 1.414105548884773
Energy: 1.0850443362415683
Energy: 1.0922559680444415
Energy: 1.480318205643411
Energy: 1.2728016336819161
Energy: 1.4821543557213508
Energy: 1.4171043099388119
Energy: 1.4821543557213508
Energy: 1.2728016336819161
Energy: 1.4821543557213508
Energy: 1.0533261765915596
Energy: 1.0849289027964035
Energy: 1.4168255183936482
Energy: 1.0849289027980975
Energy: 1.0533261765915596
Energy: 1.0849289027980975
Energy: 1.0894961707212973
Energy: 1.4818975314920235
Energy: 1.0457068628870936
Energy: 1.4818975314920235
Energy: 1.0894961707212973
Energy: 1.4818975314920235
Energy: 1.0925065610531572
Energy: 1.480990325136315
Energy: 1.4140117696587782
Energy: 1.4809903251371617
Energy: 1.0925065610531572
Energy: 1.4809903251371617
Energy: 1.0506421631703657
Energy: 1.4820301557943447
Energy: 1.0502707739307173
Energy: 1.4820301557951916
Energy: 1.0506421631703657
Energy: 1.4820301557951916

minimum gb energy = 1.0455831317243094 eV
minimum distance =  2.24942603834425 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.2920975473626997
Energy: 1.2804804141770212
Energy: 1.0687016691198703
Energy: 1.2804804141776158
Energy: 1.2920975473626997
Energy: 1.2804804141776158
Energy: 1.7775926521315069
Energy: 0.9827850249110696
Energy: 0.9331640150431825
Energy: 0.982785024909881
Energy: 1.7775926521321013
Energy: 0.9827850249092865
Energy: 1.2797025007885203
Energy: 1.298124078883388
Energy: 1.051081223653229
Energy: 1.298124078883388
Energy: 1.2797025007885203
Energy: 1.298124078883388
Energy: 1.6272834620654508
Energy: 0.9492480908972931
Energy: 0.9327633336709128
Energy: 0.9492480908972931
Energy: 1.6272834620648569
Energy: 0.9492480908966987
Energy: 0.9610636410524349
Energy: 1.2813484211011625
Energy: 0.9448062406766664
Energy: 1.281348421101757
Energy: 0.9610636410524349
Energy: 1.281348421101757
Energy: 1.4772100458229902
Energy: 0.9527949783750493
Energy: 0.9328362630171055
Energy: 0.9527949783756435
Energy: 1.4772100458223956
Energy: 0.9527949783750493
Energy: 0.9582212605509384
Energy: 1.2571583720311037
Energy: 0.9259448358860927
Energy: 1.2571583720305093
Energy: 0.9582212605515327
Energy: 1.2571583720305093
Energy: 1.3384653521950005
Energy: 0.926188265857597
Energy: 0.9263321043710718
Energy: 0.9261882658587857
Energy: 1.3384653521950005
Energy: 0.926188265857597
Energy: 0.9158056749626706
Energy: 1.281083064883925
Energy: 1.1817079298582676
Energy: 1.281083064884519
Energy: 0.9158056749626706
Energy: 1.281083064884519
Energy: 1.2000138643714435
Energy: 1.2780249254796805
Energy: 1.177827587425156
Energy: 1.2780249254796805
Energy: 1.2000138643714435
Energy: 1.278024925480221
Energy: 0.9222609918849474
Energy: 1.2623593039452947
Energy: 1.1778435205800217
Energy: 1.2623593039464835
Energy: 0.9222609918849474
Energy: 1.2623593039458894
Energy: 1.518189278714233
Energy: 1.2850498448911647
Energy: 1.1858013362586972
Energy: 1.2850498448893817
Energy: 1.5181892787136384
Energy: 1.285049844889976
Energy: 1.1897761031489102
Energy: 1.280628809719265
Energy: 1.4644170427719592
Energy: 1.280628809719265
Energy: 1.189776103148316
Energy: 1.280628809719265
Energy: 1.2093128987519435
Energy: 1.2968772023504531
Energy: 1.4643495371079545
Energy: 1.2968772023504531
Energy: 1.2093128987525377
Energy: 1.2968772023504531
Energy: 1.2076120512864223
Energy: 1.2637548110940513
Energy: 1.4648335832496133
Energy: 1.2637548110946457
Energy: 1.2076120512864223
Energy: 1.2637548110946457
Energy: 1.1924696116196614
Energy: 1.2848495049443485
Energy: 1.1858067701206036
Energy: 1.2848495049443485
Energy: 1.1924696116196614
Energy: 1.2848495049443485
Energy: 1.189747073051827
Energy: 1.2801035609549631
Energy: 1.464459722528458
Energy: 1.2801035609555576
Energy: 1.189747073051827
Energy: 1.2801035609555576
Energy: 0.9247032401135039
Energy: 1.2962029025830455
Energy: 1.1777489652485718
Energy: 1.2962029025836397
Energy: 0.9247032401135039
Energy: 1.2962029025830455
Energy: 1.2071879114946946
Energy: 1.278823228977058
Energy: 1.178045523282004
Energy: 1.278823228977058
Energy: 1.2071879114941007
Energy: 1.278823228977058
Energy: 0.9195957814272346
Energy: 1.2877895874747687
Energy: 0.9266503834662441
Energy: 1.2877895874753629
Energy: 0.9195957814272346
Energy: 1.2877895874753629
Energy: 1.18234750738862
Energy: 1.267749502562904
Energy: 1.1819842668760439
Energy: 1.2677495025634984
Energy: 1.18234750738862
Energy: 1.267749502562904
Energy: 0.9153352675248639
Energy: 1.2961221673594059
Energy: 0.9333267902037037
Energy: 1.2961221673582168
Energy: 0.9153352675254585
Energy: 1.2961221673588115
Energy: 1.4758814104425357
Energy: 1.279054326561997
Energy: 0.925027946400179
Energy: 1.279054326561997
Energy: 1.4758814104419415
Energy: 1.279054326561997
Energy: 0.9227145648824502
Energy: 1.288047334880367
Energy: 0.9334777716814672
Energy: 1.2880473348797725
Energy: 0.9227145648836389
Energy: 1.2880473348797725
Energy: 1.4645443625028078
Energy: 1.2677833484348457
Energy: 1.19276898852015
Energy: 1.2677833484354402
Energy: 1.464544362503402
Energy: 1.2677833484348457
Energy: 1.1866837575486548
Energy: 1.2950629950784682
Energy: 0.9534799475688595
Energy: 1.2950629950784682
Energy: 1.1866837575498437
Energy: 1.295062995077874
Energy: 1.7752387187893677
Energy: 0.9502569091690283
Energy: 0.925230803109467
Energy: 0.9502569091690283
Energy: 1.7752387187887735
Energy: 0.950256909168434
Energy: 1.2059155693856207
Energy: 1.2904133583451438
Energy: 1.2085530588690356
Energy: 1.2904133583457382
Energy: 1.2059155693838377
Energy: 1.2904133583457382
Energy: 1.6237149496067824
Energy: 1.2596024650248598
Energy: 1.1925168529013561
Energy: 1.2596024650248598
Energy: 1.6237149496067824
Energy: 1.2596024650248598
Energy: 1.18634702618057
Energy: 1.2949590827884627
Energy: 1.2256267964044327
Energy: 1.2949590827884627
Energy: 1.18634702618057
Energy: 1.2949590827884627
Energy: 1.4791179750850254
Energy: 0.9548615167941039
Energy: 0.9247500090930346
Energy: 0.9548615167905379
Energy: 1.4791179750838366
Energy: 0.9548615167929152
Energy: 0.9221347626209546
Energy: 1.2787225197198642
Energy: 1.0713785218123184
Energy: 1.2787225197204584
Energy: 0.9221347626209546
Energy: 1.2787225197198642
Energy: 1.3339153334583396
Energy: 1.2488383224372523
Energy: 0.9191496396608728
Energy: 1.248838322436658
Energy: 1.3339153334583396
Energy: 1.2488383224360637
Energy: 0.9150904134268548
Energy: 1.2354894718071197
Energy: 1.3542395420855604
Energy: 1.2354894718071197
Energy: 0.9150904134262604
Energy: 1.2354894718071197
Energy: 1.3544418333920942
Energy: 1.2355246208553659
Energy: 0.9152531063288817
Energy: 1.2355246208559605
Energy: 1.3544418333926886
Energy: 1.2355246208553659
Energy: 0.9191570880916115
Energy: 1.248770562044214
Energy: 1.3339403340303502
Energy: 1.2487705620430252
Energy: 0.9191570880916115
Energy: 1.2487705620430252
Energy: 1.071396703346058
Energy: 1.2787141268386264
Energy: 0.922307777021152
Energy: 1.2787141268386264
Energy: 1.071396703346058
Energy: 1.278714126838032
Energy: 0.9249753353959596
Energy: 0.9428688003613099
Energy: 1.4791386990155928
Energy: 0.9428688003595268
Energy: 0.9249753353959596
Energy: 0.9428688003577438
Energy: 1.225626796399678
Energy: 1.294938432284713
Energy: 1.1866889023497644
Energy: 1.2949384322859017
Energy: 1.2256267964002725
Energy: 1.2949384322859017
Energy: 1.0530069618586122
Energy: 1.2596336129098118
Energy: 1.6237679009343517
Energy: 1.2596336129098118
Energy: 1.0530069618586122
Energy: 1.2596336129092176
Energy: 1.208556495023468
Energy: 1.2904629151649911
Energy: 1.2061200493309239
Energy: 1.2904629151649911
Energy: 1.208556495023468
Energy: 1.2904629151649911
Energy: 0.9252097457730926
Energy: 0.9499915038623473
Energy: 1.7752044261437696
Energy: 0.9499915038647246
Energy: 0.925209745773687
Energy: 0.9499915038641303
Energy: 0.953449171416651
Energy: 1.2950569454156575
Energy: 1.1865582148017118
Energy: 1.2950569454162515
Energy: 0.9534491714160566
Energy: 1.2950569454156575
Energy: 1.0527938117063012
Energy: 1.2678760003332552
Energy: 1.4643685515969813
Energy: 1.2678760003332552
Energy: 1.0527938117068956
Energy: 1.2678760003332552
Energy: 0.9330431597459747
Energy: 1.2880305937326288
Energy: 0.9225220697383127
Energy: 1.2880305937314402
Energy: 0.9330431597453804
Energy: 1.2880305937314402
Energy: 0.9252076987783645
Energy: 1.2790543265590255
Energy: 1.4758141353776189
Energy: 1.2790543265602141
Energy: 0.9252076987777701
Energy: 1.2790543265602141
Energy: 0.9330755582293804
Energy: 1.296514509245197
Energy: 0.9153450292557538
Energy: 1.296514509245197
Energy: 0.9330755582293804
Energy: 1.296514509245197

minimum gb energy = 0.9150904134262604 eV
minimum distance =  2.27452451929312 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.289251149833705
Energy: 0.2898292361707962
Energy: 1.7857506635925764
Energy: 0.2898292361716087
Energy: 0.289251149833705
Energy: 0.2898292361712025
Energy: 0.2834958781373127
Energy: 0.8403675271289583
Energy: 0.6188056488682158
Energy: 0.8403675271293646
Energy: 0.2834958781373127
Energy: 0.8403675271297708
Energy: 0.289251149833705
Energy: 0.2898292361712025
Energy: 1.781092764320266
Energy: 0.2898292361716087
Energy: 0.289251149833705
Energy: 0.2898292361716087
Energy: 0.2834958781369064
Energy: 0.8403675271289583
Energy: 0.6188055405557784
Energy: 0.8403675271297708
Energy: 0.2834958781369064
Energy: 0.8403675271297708
Energy: 0.289251149833705
Energy: 0.2898292361707962
Energy: 1.7810927643341687
Energy: 0.2898292361716087
Energy: 0.289251149833705
Energy: 0.2898292361716087
Energy: 0.2834958781373127
Energy: 0.8403675271289583
Energy: 0.6188058432075988
Energy: 0.8403675271297708
Energy: 0.2834958781380801
Energy: 0.8403675271297708
Energy: 0.289251149833705
Energy: 0.2898292361716087
Energy: 1.7810927643445056
Energy: 0.289829236172015
Energy: 0.289251149833705
Energy: 0.2898292361716087

minimum gb energy = 0.2834958781369064 eV
minimum distance =  2.44842447249776 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.4977643000394407
Energy: 1.235068647526039
Energy: 1.0775114439919782
Energy: 1.235068647526039
Energy: 1.4977643000394407
Energy: 1.2350686475265797
Energy: 1.86281142512971
Energy: 0.9336820322473038
Energy: 0.9097755569507815
Energy: 0.9336820322462227
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Energy: 1.1882909833734365
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Energy: 0.9073269796349744
Energy: 0.9066034564446753
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Energy: 0.9066034564435942
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Energy: 1.2113289163936056
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Energy: 1.2113289163930654
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Energy: 1.4553078033543656
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Energy: 1.2113366708052047
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Energy: 0.9098474883846994
Energy: 1.2106977433252293
Energy: 1.1829387200083712
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Energy: 0.9076383690095035
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Energy: 1.2111126348655823
Energy: 1.4356231455393447
Energy: 1.2153978510393193
Energy: 0.9087203205222997
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Energy: 1.4472973492619645
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Energy: 1.4421899384871082
Energy: 1.2073755183690624
Energy: 1.09986517083284
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Energy: 1.4421899384871082
Energy: 1.207375518368522
Energy: 1.4654695121330616
Energy: 1.2112004000250451
Energy: 0.9146963745209431
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Energy: 1.4654695121330616
Energy: 1.2112004000250451
Energy: 1.7219146790828344
Energy: 1.2102358201922545
Energy: 0.9132555580187257
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Energy: 1.2102358201911738
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Energy: 1.4422943098643808
Energy: 1.166817604383061
Energy: 0.9089900900521675
Energy: 1.1668176043808984
Energy: 1.4422943098643808
Energy: 1.166817604381439
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Energy: 1.2061272007085213
Energy: 0.9077467960019387
Energy: 1.2061272007085213
Energy: 1.1745668199121022
Energy: 1.2061272007085213
Energy: 1.4358116823420737
Energy: 1.2108298357637364
Energy: 0.9199167902578619
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Energy: 1.2108298357637364
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Energy: 1.1812629471682283
Energy: 1.1619504139373193
Energy: 1.18126294716985
Energy: 1.1598892838669779
Energy: 1.18126294716985
Energy: 1.1570522236736345
Energy: 1.1858639942620328
Energy: 0.9232437135967285
Energy: 1.1858639942609517
Energy: 1.1570522236725533
Energy: 1.1858639942609517
Energy: 0.9200408861015438
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Energy: 1.1534763704880833
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Energy: 0.9200408861015438
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Energy: 1.1542157189231508
Energy: 1.2128767514594676
Energy: 1.1548712867438011
Energy: 1.212876751458927
Energy: 1.1542157189231508
Energy: 1.212876751458927
Energy: 0.9095909005003343
Energy: 0.9089411091434983
Energy: 1.4348389414542722
Energy: 0.9089411091445797
Energy: 0.9095909005003343
Energy: 0.908941109144039
Energy: 0.9083778552988635
Energy: 1.1855198838374112
Energy: 1.1695168661199602
Energy: 1.18551988383633
Energy: 0.9083778552994038
Energy: 1.18551988383633
Energy: 0.9136651155630044
Energy: 0.9244103752322479
Energy: 1.4311298006097106
Energy: 0.9244103752344102
Energy: 0.9136651155630044
Energy: 0.9244103752317074
Energy: 0.912592069443104
Energy: 1.2138319975927205
Energy: 1.437424928486061
Energy: 1.2138319975927205
Energy: 0.9125920694425634
Energy: 1.2138319975927205
Energy: 0.9082395487812426
Energy: 0.9305597875357889
Energy: 1.579785023992868
Energy: 0.9305597875347077
Energy: 0.9082395487812426
Energy: 0.9305597875341673
Energy: 0.9217673526844328
Energy: 1.230841218532468
Energy: 1.4554021035282734
Energy: 1.230841218532468
Energy: 0.9217673526844328
Energy: 1.230841218532468
Energy: 0.9137371241303182
Energy: 0.9367032645442003
Energy: 1.5831278510201978
Energy: 0.9367032645431193
Energy: 0.9137371241303182
Energy: 0.9367032645436597
Energy: 0.9283380400440997
Energy: 1.2141653236501464
Energy: 1.437508232027749
Energy: 1.2141653236512278
Energy: 0.9283380400446402
Energy: 1.2141653236506869
Energy: 0.9081419121227196
Energy: 0.9210472642410136
Energy: 1.5796128889304673
Energy: 0.9210472642410136
Energy: 0.9081419121227196
Energy: 0.9210472642410136
Energy: 0.9131335411368977
Energy: 1.185275785667962
Energy: 1.1693121932468384
Energy: 1.185275785667962
Energy: 0.9131335411368977
Energy: 1.1852757856685023
Energy: 0.9217889970739075
Energy: 0.9090729630843151
Energy: 1.302830120826816
Energy: 0.9090729630848556
Energy: 0.9217889970733669
Energy: 0.9090729630843151
Energy: 1.172461055689858
Energy: 1.1815810194304375
Energy: 1.1547940787512423
Energy: 1.1815810194309784
Energy: 1.1724610556887767
Energy: 1.1815810194304375

minimum gb energy = 0.9066034564435942 eV
minimum distance =  2.28404200914617 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.5611829668729467
Energy: 1.4276273027769284
Energy: 1.0193063934970865
Energy: 1.42762730277767
Energy: 1.5611829668736885
Energy: 1.42762730277767
Energy: 1.6592603554699734
Energy: 1.0515496151275756
Energy: 1.0189630679559991
Energy: 1.0515496151275756
Energy: 1.6592603554699734
Energy: 1.0515496151275756
Energy: 1.5057860767356477
Energy: 1.4028605001080825
Energy: 1.28638720974152
Energy: 1.4028605001073404
Energy: 1.5057860767356477
Energy: 1.4028605001080825
Energy: 1.4631182926827146
Energy: 1.0241063988443757
Energy: 1.0241131034025865
Energy: 1.0241063988443757
Energy: 1.4631182926834567
Energy: 1.0241063988443757
Energy: 1.1584616987005483
Energy: 1.024194654903268
Energy: 1.110389823552175
Energy: 1.0241946549047518
Energy: 1.1584616987005483
Energy: 1.0241946549047518
Energy: 1.3010425444289502
Energy: 1.0213182946922843
Energy: 1.1175200835954422
Energy: 1.021318294695252
Energy: 1.301042544429692
Energy: 1.021318294693768
Energy: 1.1380765660180523
Energy: 1.0226540167269207
Energy: 1.2964714446458678
Energy: 1.022654016725437
Energy: 1.1380765660173102
Energy: 1.022654016725437
Energy: 1.1127775579185732
Energy: 1.024694118604524
Energy: 1.1385766908809674
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Energy: 1.1127775579185732
Energy: 1.0246941186052656
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Energy: 1.47886268159653
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Energy: 1.0245956233255402
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Energy: 1.3884819608093173
Energy: 1.0233772224919127
Energy: 1.0190916498737757
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Energy: 1.0229854664721056
Energy: 1.39608814940796
Energy: 1.419566413171822
Energy: 1.3960881494094437
Energy: 1.0229854664721056
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Energy: 1.0184385528300195
Energy: 1.2294254581384971
Energy: 1.4797469306817779
Energy: 1.2294254581377553
Energy: 1.0184385528300195
Energy: 1.2294254581377553
Energy: 1.10999758054846
Energy: 1.3887145563154129
Energy: 1.4788593535734151
Energy: 1.3887145563168966
Energy: 1.1099975805477182
Energy: 1.3887145563168966
Energy: 1.1098313100324384
Energy: 1.1520470011703823
Energy: 1.4629957673719185
Energy: 1.1520470011688984
Energy: 1.1098313100324384
Energy: 1.1520470011696402
Energy: 1.1107901426047018
Energy: 1.3965383763489307
Energy: 1.1390383362058152
Energy: 1.396538376348189
Energy: 1.1107901426047018
Energy: 1.396538376348189
Energy: 1.109900062151716
Energy: 1.0215135219354088
Energy: 1.278942257055347
Energy: 1.021513521933925
Energy: 1.109900062152458
Energy: 1.0215135219354088
Energy: 1.468373953023566
Energy: 1.3785750131929924
Energy: 1.1177862229047195
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Energy: 1.468373953023566
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Energy: 1.4681880085469834
Energy: 1.3956288195497981
Energy: 1.1060107125781011
Energy: 1.3956288195475723
Energy: 1.4681880085469834
Energy: 1.3956288195475723
Energy: 1.484065761197607
Energy: 1.3971663389644178
Energy: 1.0244200830168066
Energy: 1.3971663389644178
Energy: 1.4840657611983485
Energy: 1.3971663389644178
Energy: 1.483685386744859
Energy: 1.3898389963903206
Energy: 1.2919414755491758
Energy: 1.3898389963888367
Energy: 1.483685386744859
Energy: 1.3898389963888367
Energy: 1.8545964096675867
Energy: 1.3142361913363994
Energy: 1.0259697123759972
Energy: 1.3142361913349154
Energy: 1.8545964096675867
Energy: 1.3142361913356573
Energy: 1.8542042693452363
Energy: 1.3145862001592497
Energy: 1.0235367698710316
Energy: 1.3145862001599917
Energy: 1.8542042693452363
Energy: 1.3145862001599917
Energy: 1.4838447096227243
Energy: 1.3893674818624127
Energy: 1.2965183837761565
Energy: 1.389367481859445
Energy: 1.4838447096227243
Energy: 1.389367481859445
Energy: 1.4839406636497396
Energy: 1.3972997227307398
Energy: 1.0239741926073973
Energy: 1.3972997227307398
Energy: 1.4839406636497396
Energy: 1.3972997227307398
Energy: 1.46812201048627
Energy: 1.395756914170922
Energy: 1.1057908153600169
Energy: 1.39575691417018
Energy: 1.46812201048627
Energy: 1.39575691417018
Energy: 1.4684454595041379
Energy: 1.3786449868629678
Energy: 1.1179961195599484
Energy: 1.3786449868644517
Energy: 1.4684454595041379
Energy: 1.3786449868644517
Energy: 1.1097145080044784
Energy: 1.0214156794243479
Energy: 1.476364464322798
Energy: 1.0214156794072844
Energy: 1.1097145080044784
Energy: 1.0214156794228642
Energy: 1.1107970470203297
Energy: 1.3966389366943148
Energy: 1.1389376817341668
Energy: 1.3966389366928311
Energy: 1.1107970470203297
Energy: 1.3966389366928311
Energy: 1.1100279980053565
Energy: 1.1520470011681565
Energy: 1.292757227403631
Energy: 1.1520470011696402
Energy: 1.1100279980053565
Energy: 1.1520470011696402
Energy: 1.1102759672604312
Energy: 1.388450224081925
Energy: 1.4788976723469691
Energy: 1.388450224081925
Energy: 1.1102759672604312
Energy: 1.388450224081925
Energy: 1.0150939704026212
Energy: 1.0165158050933707
Energy: 1.6673895475602905
Energy: 1.0165158050955962
Energy: 1.0150939704026212
Energy: 1.0165158050955962
Energy: 1.0301906627011839
Energy: 1.3961257491289256
Energy: 1.4196639847866632
Energy: 1.3961257491289256
Energy: 1.0301906627004418
Energy: 1.3961257491296677
Energy: 1.0233410422752753
Energy: 1.020155765567859
Energy: 1.5758383192390752
Energy: 1.020155765566375
Energy: 1.0233410422760174
Energy: 1.020155765566375
Energy: 1.1347649662355812
Energy: 1.388361598178055
Energy: 1.4788757385209417
Energy: 1.3883615981765711
Energy: 1.1347649662355812
Energy: 1.3883615981765711
Energy: 1.0246283546966266
Energy: 1.014986539079809
Energy: 1.667340285093429
Energy: 1.0149865390812929
Energy: 1.0246283546966266
Energy: 1.0149865390805508
Energy: 1.1130828247656752
Energy: 1.0243244044644861
Energy: 1.1387194747594147
Energy: 1.0243244044674538
Energy: 1.1130828247656752
Energy: 1.0243244044615185
Energy: 1.1380749223795428
Energy: 1.0164336509824528
Energy: 1.2930058149094352
Energy: 1.0164336509861625
Energy: 1.1380749223795428
Energy: 1.0164336509839367

minimum gb energy = 1.0148036939125724 eV
minimum distance =  2.26875637154607 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5874770917006895
Energy: 1.5347818157084756
Energy: 1.261539499315258
Energy: 1.5347818157084756
Energy: 1.5874770917006895
Energy: 1.5347818157084756
Energy: 1.5346654701936093
Energy: 1.1661872729396143
Energy: 1.0942971249350202
Energy: 1.1661872729396143
Energy: 1.5346654701936093
Energy: 1.1661872729396143
Energy: 1.1318034018654952
Energy: 1.0919645869065477
Energy: 1.2866909342725066
Energy: 1.0919645869056365
Energy: 1.1318034018654952
Energy: 1.0919645869056365
Energy: 1.5509692766585066
Energy: 1.1054264110840726
Energy: 1.094257720234749
Energy: 1.1054264110840726
Energy: 1.5509692766585066
Energy: 1.1054264110849839
Energy: 1.0983984695968407
Energy: 1.0987187249187649
Energy: 1.2210077933023133
Energy: 1.0987187249196764
Energy: 1.0983984695968407
Energy: 1.0987187249187649
Energy: 1.1058168640673667
Energy: 1.0970202852928617
Energy: 1.0951970228682022
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Energy: 1.1058168640673667
Energy: 1.0970202852928617
Energy: 1.0925172894989457
Energy: 1.09218567402149
Energy: 1.3145297510496554
Energy: 1.0921856740205786
Energy: 1.0925172894989457
Energy: 1.0921856740205786
Energy: 1.1618188434056327
Energy: 1.0948055434250463
Energy: 1.1305668879766182
Energy: 1.0948055434241353
Energy: 1.1618188434056327
Energy: 1.0948055434250463
Energy: 1.099271024998779
Energy: 1.0993203691924973
Energy: 1.4390470826061659
Energy: 1.0993203691924973
Energy: 1.0992710249996902
Energy: 1.0993203691924973
Energy: 1.1097520332266417
Energy: 1.5155709081503432
Energy: 1.565574257675112
Energy: 1.5155709081512545
Energy: 1.1097520332266417
Energy: 1.5155709081503432
Energy: 1.0926420279019873
Energy: 1.5241473323099322
Energy: 1.3146178435047908
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Energy: 1.5241473323099322
Energy: 1.097923543432425
Energy: 1.0946699581236292
Energy: 1.1305448310461215
Energy: 1.0946699581236292
Energy: 1.097923543432425
Energy: 1.0946699581236292
Energy: 1.0994763201637556
Energy: 1.0980946705404335
Energy: 1.4445566316429221
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Energy: 1.0994763201637556
Energy: 1.098094670539522
Energy: 1.094087519767817
Energy: 1.5168451372833196
Energy: 1.095578749658404
Energy: 1.5168451372833196
Energy: 1.094087519767817
Energy: 1.5168451372833196
Energy: 1.0928802969877538
Energy: 1.487852138131886
Energy: 1.0963258931757383
Energy: 1.487852138131886
Energy: 1.0928802969868425
Energy: 1.487852138131886
Energy: 1.5374150015357404
Energy: 1.0935398096679376
Energy: 1.0947342468471133
Energy: 1.0935398096670264
Energy: 1.5374150015357404
Energy: 1.0935398096670264
Energy: 1.5349185507803003
Energy: 1.095131125125418
Energy: 1.447070615164049
Energy: 1.095131125125418
Energy: 1.5349185507803003
Energy: 1.0951311251245073
Energy: 1.5678166168809264
Energy: 1.5160290545831585
Energy: 1.1016324224552292
Energy: 1.5160290545831585
Energy: 1.5678166168809264
Energy: 1.5160290545831585
Energy: 1.5699975794232361
Energy: 1.5162408667823264
Energy: 1.1034698162733239
Energy: 1.5162408667832377
Energy: 1.5699975794232361
Energy: 1.5162408667832377
Energy: 1.5374329699664977
Energy: 1.5319514618893526
Energy: 1.0945539664760904
Energy: 1.5319514618884411
Energy: 1.5374329699664977
Energy: 1.5319514618884411
Energy: 1.5349074544525185
Energy: 1.5561082952749772
Energy: 1.0960771513142076
Energy: 1.5561082952749772
Energy: 1.53490745445343
Energy: 1.5561082952749772
Energy: 1.0933109676035204
Energy: 1.4885980521231326
Energy: 1.0956392084496882
Energy: 1.4885980521231326
Energy: 1.0933109676035204
Energy: 1.4885980521240438
Energy: 1.0936920256879348
Energy: 1.5160864096895617
Energy: 1.0944173715170622
Energy: 1.5160864096886504
Energy: 1.0936920256879348
Energy: 1.5160864096886504
Energy: 1.0971632979837915
Energy: 1.524192574719499
Energy: 1.0941555110586343
Energy: 1.5241925747204104
Energy: 1.0971632979837915
Energy: 1.5241925747204104
Energy: 1.0997368764024598
Energy: 1.5550752978733784
Energy: 1.128778866354757
Energy: 1.555075297872467
Energy: 1.0997368764024598
Energy: 1.555075297872467
Energy: 1.0931114845728427
Energy: 1.5238555553687707
Energy: 1.5346748745457017
Energy: 1.5238555553696822
Energy: 1.0931114845728427
Energy: 1.5238555553696822
Energy: 1.1077941451031632
Energy: 1.5160631845467842
Energy: 1.5653982730354499
Energy: 1.5160631845467842
Energy: 1.107794145102252
Energy: 1.5160631845467842
Energy: 1.099498383504182
Energy: 1.506083008159735
Energy: 1.3476291280229244
Energy: 1.506083008159735
Energy: 1.099498383504182
Energy: 1.506083008159735
Energy: 1.1588658375609113
Energy: 1.0949622673532395
Energy: 1.1304847745396054
Energy: 1.0949622673532395
Energy: 1.1588658375609113
Energy: 1.0949622673532395
Energy: 1.0931056972365807
Energy: 1.092490616198974
Energy: 1.3142704025493963
Energy: 1.0924906161998855
Energy: 1.0931056972365807
Energy: 1.0924906161998855
Energy: 1.1007450891596842
Energy: 1.0969829514786364
Energy: 1.0938705199529801
Energy: 1.0969829514786364
Energy: 1.1007450891596842
Energy: 1.0969829514786364

minimum gb energy = 1.0919645869056365 eV
minimum distance =  2.27000124250015 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.2543554563959958
Energy: 1.7013056430742068
Energy: 1.471549006201929
Energy: 1.7013056430742068
Energy: 1.2543554563959958
Energy: 1.7013056430742068
Energy: 1.5166231802253292
Energy: 1.286005605789951
Energy: 1.1924988800191167
Energy: 1.286005605789951
Energy: 1.5166231802253292
Energy: 1.286005605789951
Energy: 1.191877518192354
Energy: 1.7164506507305202
Energy: 1.4010566217203893
Energy: 1.7164506507305202
Energy: 1.191877518192354
Energy: 1.7164506507305202
Energy: 1.2036272990387624
Energy: 1.1996723251491368
Energy: 1.1923247241993866
Energy: 1.1996723251491368
Energy: 1.2036272990387624
Energy: 1.1996723251491368
Energy: 1.1897373062397456
Energy: 1.206174750786522
Energy: 1.3745793220478892
Energy: 1.206174750786522
Energy: 1.1897373062397456
Energy: 1.206174750786522
Energy: 1.2030988551449195
Energy: 1.6974866742779606
Energy: 1.1902600336457267
Energy: 1.6974866742767807
Energy: 1.2030988551449195
Energy: 1.6974866742767807
Energy: 1.1960741856930626
Energy: 1.1967546718311322
Energy: 1.5004414927429583
Energy: 1.1967546718311322
Energy: 1.1960741856918826
Energy: 1.1967546718311322
Energy: 1.207032007026885
Energy: 1.6815813675569689
Energy: 1.254513440669297
Energy: 1.6815813675569689
Energy: 1.207032007026885
Energy: 1.6815813675569689
Energy: 1.1900418175595158
Energy: 1.2798294700136892
Energy: 1.3735241631607167
Energy: 1.2798294700136892
Energy: 1.1900418175595158
Energy: 1.2798294700136892
Energy: 1.1958599821485463
Energy: 1.6920069555314878
Energy: 1.1906112921717842
Energy: 1.6920069555314878
Energy: 1.1958599821485463
Energy: 1.6920069555314878
Energy: 1.19639308582344
Energy: 1.1958273676875055
Energy: 1.2008638859375507
Energy: 1.1958273676886855
Energy: 1.19639308582344
Energy: 1.1958273676886855
Energy: 1.1954734087798369
Energy: 1.1912633288829027
Energy: 1.1925766971904463
Energy: 1.1912633288817227
Energy: 1.1954734087810166
Energy: 1.1912633288817227
Energy: 1.190299277815792
Energy: 1.6969097835858704
Energy: 1.2595453117710673
Energy: 1.6969097835858704
Energy: 1.1902992778169716
Energy: 1.6969097835858704
Energy: 1.5014726415314887
Energy: 1.7096117403643738
Energy: 1.1982112497353659
Energy: 1.7096117403655535
Energy: 1.5014726415314887
Energy: 1.7096117403643738
Energy: 1.806707672157397
Energy: 1.6811801238809054
Energy: 1.2035379612872066
Energy: 1.6811801238809054
Energy: 1.806707672157397
Energy: 1.6811801238809054
Energy: 1.1949109686437727
Energy: 1.72752074393324
Energy: 1.1927354519537996
Energy: 1.72752074393324
Energy: 1.194910968642593
Energy: 1.72752074393324
Energy: 1.1906791995017927
Energy: 1.1920266806433508
Energy: 1.1963242117196604
Energy: 1.1920266806433508
Energy: 1.1906791995017927
Energy: 1.1920266806433508
Energy: 1.1958145636354012
Energy: 1.2296376362370103
Energy: 1.1957575427802674
Energy: 1.2296376362370103
Energy: 1.1958145636354012
Energy: 1.2296376362370103
Energy: 1.196315383141699
Energy: 1.1919758776937686
Energy: 1.1906897413026032
Energy: 1.1919758776937686
Energy: 1.196315383141699
Energy: 1.1919758776937686
Energy: 1.1927401333668652
Energy: 1.7276912878988513
Energy: 1.1949284321319058
Energy: 1.7276912878976713
Energy: 1.1927401333668652
Energy: 1.7276912878976713
Energy: 1.2034981364228077
Energy: 1.6813155547802063
Energy: 1.806781424686782
Energy: 1.6813155547802063
Energy: 1.2034981364228077
Energy: 1.6813155547802063
Energy: 1.1982560039697454
Energy: 1.1958906248988215
Energy: 1.5016030381514935
Energy: 1.1958906248988215
Energy: 1.1982560039697454
Energy: 1.1958906248988215
Energy: 1.2821700964961447
Energy: 1.6968845376817216
Energy: 1.1903048161575356
Energy: 1.6968845376817216
Energy: 1.2821700964973246
Energy: 1.6968845376817216
Energy: 1.1926056771327278
Energy: 1.1911543958806232
Energy: 1.1948878883162726
Energy: 1.191154395881803
Energy: 1.1926056771327278
Energy: 1.1911543958806232

minimum gb energy = 1.1897373062397456 eV
minimum distance =  2.29787996494479 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.3131677905978003
Energy: 1.3118956703319045
Energy: 1.319268042231814
Energy: 1.3118956703319045
Energy: 1.3131677905994692
Energy: 1.3118956703319045
Energy: 1.299349566261098
Energy: 1.3102791943574632
Energy: 1.3108502883788422
Energy: 1.3102791943591319
Energy: 1.299349566261098
Energy: 1.3102791943574632
Energy: 1.309702554666242
Energy: 1.3100210233764005
Energy: 1.5530967543323975
Energy: 1.3100210233764005
Energy: 1.309702554666242
Energy: 1.3100210233764005
Energy: 1.320310696290905
Energy: 1.3095356191909695
Energy: 1.3091004376469066
Energy: 1.3095356191909695
Energy: 1.320310696290905
Energy: 1.3095356191909695
Energy: 1.3094192106644122
Energy: 1.3100244823063287
Energy: 1.3196834105748234
Energy: 1.3100244823063287
Energy: 1.3094192106644122
Energy: 1.3100244823063287
Energy: 1.311041151696115
Energy: 1.3123988866241487
Energy: 1.3143737809926295
Energy: 1.3123988866241487
Energy: 1.311041151696115
Energy: 1.3123988866241487
Energy: 1.3146029785793614
Energy: 1.4779909562480433
Energy: 1.3000519911540118
Energy: 1.4779909562480433
Energy: 1.3146029785793614
Energy: 1.4779909562480433
Energy: 1.310267180126638
Energy: 1.4700905165452611
Energy: 1.3091016986926938
Energy: 1.4700905165452611
Energy: 1.310267180126638
Energy: 1.4700905165452611
Energy: 1.3094645659133517
Energy: 1.3098160042051332
Energy: 1.4394833166100125
Energy: 1.3098160042051332
Energy: 1.3094645659133517
Energy: 1.3098160042051332
Energy: 1.312298909597989
Energy: 1.2942227647020297
Energy: 1.310992364959728
Energy: 1.2942227647020297
Energy: 1.312298909597989
Energy: 1.2942227647020297
Energy: 1.318076014369298
Energy: 1.3102844797400093
Energy: 1.3096006899877175
Energy: 1.3102844797400093
Energy: 1.3180760143709669
Energy: 1.3102844797400093
Energy: 1.3096803729292574
Energy: 1.3128381364651778
Energy: 1.319006157489401
Energy: 1.3128381364651778
Energy: 1.3096803729292574
Energy: 1.3128381364651778
Energy: 1.3094783172440916
Energy: 1.469128744976916
Energy: 1.318086096439203
Energy: 1.469128744975247
Energy: 1.3094783172440916
Energy: 1.469128744976916
Energy: 1.3125983494693985
Energy: 1.3113386724828087
Energy: 1.312601705302837
Energy: 1.3113386724828087
Energy: 1.3125983494693985
Energy: 1.3113386724828087
Energy: 1.3146216967512272
Energy: 1.4281408425869204
Energy: 1.3127136795250356
Energy: 1.4281408425869204
Energy: 1.3146216967512272
Energy: 1.4281408425869204
Energy: 1.3181456654610484
Energy: 1.312412135994633
Energy: 1.3128417594375534
Energy: 1.312412135994633
Energy: 1.3181456654610484
Energy: 1.312412135994633
Energy: 1.3096041643860046
Energy: 1.3129396577250805
Energy: 1.3092698619534862
Energy: 1.3129396577267491
Energy: 1.3096041643860046
Energy: 1.3129396577267491

minimum gb energy = 1.2942227647020297 eV
minimum distance =  2.27073795389017 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.8607618964039818
Energy: 2.007151868566801
Energy: 1.9317298454006508
Energy: 2.0071518685661567
Energy: 1.8607618964039818
Energy: 2.0071518685661567
Energy: 1.6065768134840632
Energy: 1.334160389902238
Energy: 1.3213528672728059
Energy: 1.3341603899028822
Energy: 1.6065768134847076
Energy: 1.3341603899028822
Energy: 1.3245408884962673
Energy: 1.3962863296361134
Energy: 1.5947884597161062
Energy: 1.3962863296361134
Energy: 1.3245408884969117
Energy: 1.3962863296361134
Energy: 1.377527756833126
Energy: 1.3192080797764667
Energy: 1.4074645330256546
Energy: 1.3192080797758223
Energy: 1.3775277568305482
Energy: 1.3192080797758223
Energy: 1.3226699964960842
Energy: 1.3713087766166974
Energy: 1.6465624057033885
Energy: 1.3713087766166974
Energy: 1.3226699964960842
Energy: 1.3713087766166974
Energy: 1.4127939861069057
Energy: 1.3257791315145713
Energy: 1.4332626170614173
Energy: 1.3257791315152156
Energy: 1.4127939861069057
Energy: 1.3257791315145713
Energy: 1.321917704864381
Energy: 1.4159009363003947
Energy: 1.492850967290743
Energy: 1.4159009363003947
Energy: 1.3219177048637365
Energy: 1.4159009363003947
Energy: 1.6005150822596588
Energy: 1.318837338302333
Energy: 1.319378358965682
Energy: 1.3188373383016885
Energy: 1.6005150822596588
Energy: 1.318837338302333
Energy: 1.436140589668672
Energy: 1.3257292356704522
Energy: 1.3381206484660904
Energy: 1.3257292356691635
Energy: 1.436140589668672
Energy: 1.325729235669808
Energy: 1.659800104018995
Energy: 1.382559307778956
Energy: 1.3235141529440078
Energy: 1.3913148682634704
Energy: 1.6598001040170618
Energy: 1.3727869971997164
Energy: 1.409959614399524
Energy: 1.6228700974287285
Energy: 1.4017126817119894
Energy: 1.6228700974287285
Energy: 1.409959614399524
Energy: 1.6228700974287285
Energy: 1.3379502799054357
Energy: 1.3338986812163207
Energy: 1.333690694206507
Energy: 1.333898681216965
Energy: 1.3379502799054357
Energy: 1.3338986812163207
Energy: 1.3245497246324167
Energy: 1.3199478804185292
Energy: 1.67635905082363
Energy: 1.3199478804191735
Energy: 1.3245497246324167
Energy: 1.3199478804191735
Energy: 1.3474513332352593
Energy: 1.6490141318860374
Energy: 1.8300796713839764
Energy: 1.649014131885393
Energy: 1.347451333234615
Energy: 1.649014131885393
Energy: 1.3400081181277959
Energy: 1.8375813011359448
Energy: 1.4017391182971701
Energy: 1.8375813011365891
Energy: 1.3400081181290846
Energy: 1.8375813011359448
Energy: 1.4018211447283313
Energy: 1.6183500277429712
Energy: 1.3339668578548918
Energy: 1.6183500277449043
Energy: 1.4018211447283313
Energy: 1.5971114602093006
Energy: 1.40146945812182
Energy: 1.3197209946696447
Energy: 1.3393726013485017
Energy: 1.319720994670289
Energy: 1.4014694581211755
Energy: 1.319720994670289
Energy: 1.8155298412266874
Energy: 1.6511946631260217
Energy: 1.3428781493230673
Energy: 1.651194663124733
Energy: 1.8155298412266874
Energy: 1.651194663124733
Energy: 1.7210741538986902
Energy: 1.32582678791564
Energy: 1.3276396727006976
Energy: 1.325826787916929
Energy: 1.7210741538986902
Energy: 1.3258267879149959
Energy: 1.3182509706722263
Energy: 1.6265389768237832
Energy: 1.3181838591672972
Energy: 1.6265389768218501
Energy: 1.3182509706722263
Energy: 1.666803591391005
Energy: 1.327625359330945
Energy: 1.3259758247031104
Energy: 1.8127623684162784
Energy: 1.3259758247101985
Energy: 1.3276253593303005
Energy: 1.3259758247031104
Energy: 1.3428607415692335
Energy: 1.6511957730463602
Energy: 1.815529249902192
Energy: 1.6511957730463602
Energy: 1.342860741569878
Energy: 1.6511957730463602
Energy: 1.3304612381883372
Energy: 1.3232046106715545
Energy: 1.4013447866323505
Energy: 1.3232046106715545
Energy: 1.330461238187693
Energy: 1.3232046106721989
Energy: 1.3339896716660211
Energy: 1.4168795748250589
Energy: 1.4012892766321838
Energy: 1.416879574825703
Energy: 1.3339896716660211
Energy: 1.416879574825703
Energy: 1.4017120365437246
Energy: 1.837599455677589
Energy: 1.3423892528787595
Energy: 1.8375994556782331
Energy: 1.4017120365437246
Energy: 1.8375994556782331
Energy: 1.8302372278178167
Energy: 1.6489966777586005
Energy: 1.347362518539016
Energy: 1.6489966777586005
Energy: 1.8302372278184613
Energy: 1.648996677757956
Energy: 1.6859296449594197
Energy: 1.3199708793425975
Energy: 1.3245702553263232
Energy: 1.3199708793432414
Energy: 1.6859296449607086
Energy: 1.3199708793425975
Energy: 1.3337230127193886
Energy: 1.3338089235647033
Energy: 1.3379536091350428
Energy: 1.3338089235653476
Energy: 1.3337230127187443
Energy: 1.3338089235653476
Energy: 1.4016322868995013
Energy: 1.6247976599495757
Energy: 1.4099871640050456
Energy: 1.6247976599495757
Energy: 1.4016322868995013
Energy: 1.6247976599489313
Energy: 1.3235457217603126
Energy: 1.3909357724107185
Energy: 1.659240765792211
Energy: 1.3909357724107185
Energy: 1.3235457217603126
Energy: 1.3909357724107185
Energy: 1.3381070237333053
Energy: 1.3253792730568992
Energy: 1.436162841587861
Energy: 1.3253792730562552
Energy: 1.3381070237333053
Energy: 1.3253792730568992
Energy: 1.3193825100176118
Energy: 1.3185155108844184
Energy: 1.600584818962695
Energy: 1.3185155108837738
Energy: 1.3193825100176118
Energy: 1.3185155108844184
Energy: 1.4932404503638939
Energy: 1.4158870884028125
Energy: 1.3219390518066239
Energy: 1.4158870884028125
Energy: 1.4932404503651826
Energy: 1.4158870884028125
Energy: 1.433256258230837
Energy: 1.325694805955831
Energy: 1.4124936949772011
Energy: 1.3256948059564753
Energy: 1.4332562582314523
Energy: 1.3256948059564753
Energy: 1.5944789383956524
Energy: 1.3713087766166974
Energy: 1.3226747386728386
Energy: 1.3713087766166974
Energy: 1.5944789383950078
Energy: 1.3713087766166974
Energy: 1.407462314783013
Energy: 1.31964826608511
Energy: 1.3769984968562277
Energy: 1.3196482660857545
Energy: 1.4074623147823688
Energy: 1.3196482660857545
Energy: 1.5947724320354293
Energy: 1.398233118199964
Energy: 1.3246803388018558
Energy: 1.398233118199964
Energy: 1.5947724320354293
Energy: 1.3982331182006085
Energy: 1.3215995888228884
Energy: 1.3341119078670969
Energy: 1.6066157011780966
Energy: 1.3341119078677413
Energy: 1.3215995888228884
Energy: 1.3341119078677413
Energy: 1.395520607714766
Energy: 2.0071518685674454
Energy: 1.8607618964039818
Energy: 2.0071518685674454
Energy: 1.3955206077166697
Energy: 2.0071518685674454
Energy: 1.3213528672734502
Energy: 1.334160389902238
Energy: 1.6065768134847076
Energy: 1.334160389902238
Energy: 1.3213528672734502
Energy: 1.3341603899015935
Energy: 1.5947884597167508
Energy: 1.396286329637402
Energy: 1.3245408884962673
Energy: 1.3962863296367578
Energy: 1.5947884597161062
Energy: 1.3962863296367578
Energy: 1.4074645330256546
Energy: 1.3192080797758223
Energy: 1.3775277568311928
Energy: 1.3192080797764667
Energy: 1.4074645330256546
Energy: 1.3192080797764667
Energy: 1.6465624057027441
Energy: 1.3713087766160528
Energy: 1.3226699964954396
Energy: 1.3713087766166974
Energy: 1.6465624057027441
Energy: 1.3713087766160528

minimum gb energy = 1.3181838591672972 eV
minimum distance =  2.2495147889154 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.6557781621847514
Energy: 1.6220113595885983
Energy: 1.5012169373412267
Energy: 1.6220113595833523
Energy: 1.6557781621847514
Energy: 1.6220113595833523
Energy: 1.4795773256712388
Energy: 1.3511753766574794
Energy: 1.3512229063674142
Energy: 1.3511753766574794
Energy: 1.4795773256701894
Energy: 1.3511753766574794
Energy: 1.3534521220179414
Energy: 1.4109342629389547
Energy: 1.3579199133331712
Energy: 1.4109342629389547
Energy: 1.3534521220179414
Energy: 1.4109342629368562
Energy: 1.4554396620617602
Energy: 1.4143744121040502
Energy: 1.6120674561453967
Energy: 1.4143744121050996
Energy: 1.4554396620617602
Energy: 1.4143744121061486
Energy: 1.314384849353655
Energy: 1.39134645324605
Energy: 1.4914071703605072
Energy: 1.391346453240804
Energy: 1.314384849353655
Energy: 1.3913464532418534
Energy: 1.4672145178459157
Energy: 1.413584678982787
Energy: 1.6121271968822455
Energy: 1.4135846789796396
Energy: 1.4672145178469649
Energy: 1.4135846789806887
Energy: 1.3555381390964096
Energy: 1.416992926540304
Energy: 1.361016950672512
Energy: 1.4169929265382055
Energy: 1.3555381390964096
Energy: 1.4169929265382055
Energy: 1.3136431186078277
Energy: 1.4027811958570984
Energy: 1.3508532931666968
Energy: 1.4027811958591967
Energy: 1.313643118608877
Energy: 1.4027811958591967
Energy: 1.4673014823372779
Energy: 1.3123140484150013
Energy: 1.3590874309189434
Energy: 1.3123140484045093
Energy: 1.4673014823372779
Energy: 1.3123140484013616
Energy: 1.5649598345895066
Energy: 1.3506026697709412
Energy: 1.3535634061866764
Energy: 1.3506026697719904
Energy: 1.5649598345905558
Energy: 1.3506026697719904
Energy: 1.3557689549608465
Energy: 1.3124116523711833
Energy: 1.6113582616405266
Energy: 1.3124116523711833
Energy: 1.3557689549618956
Energy: 1.3124116523722322
Energy: 1.4013397507932972
Energy: 1.4152360325942437
Energy: 1.6118938762015593
Energy: 1.415236032595293
Energy: 1.401339750792248
Energy: 1.4152360325942437
Energy: 1.3155501112316432
Energy: 1.4129961218573401
Energy: 1.611263739701486
Energy: 1.4129961218510452
Energy: 1.3155501112316432
Energy: 1.4129961218520943
Energy: 1.464419588362352
Energy: 1.5064918153437448
Energy: 1.6119124686101078
Energy: 1.5064918153416464
Energy: 1.4644195883728441
Energy: 1.5064918153416464
Energy: 1.3626554511200824
Energy: 1.4163110220792188
Energy: 1.3534540625969664
Energy: 1.4163110220781696
Energy: 1.3626554511200824
Energy: 1.4163110220792188
Energy: 1.5814655111399472
Energy: 1.374887684573825
Energy: 1.3547169338625467
Energy: 1.3748876845759233
Energy: 1.5814655111399472
Energy: 1.3748876845759233
Energy: 1.6532274912444664
Energy: 1.634655360244347
Energy: 1.3605258519703376
Energy: 1.6346553602474945
Energy: 1.6532274912444664
Energy: 1.6346553602464453
Energy: 1.6209872306111923
Energy: 1.4995199487039286
Energy: 1.3549658458041203
Energy: 1.4995199487049777
Energy: 1.6209872306101432
Energy: 1.4995199487060271
Energy: 1.3628529671111997
Energy: 1.3171007618990467
Energy: 1.6114124782943295
Energy: 1.3171007618738657
Energy: 1.3628529671111997
Energy: 1.31710076192108
Energy: 1.4292205595451684
Energy: 1.4176530402818486
Energy: 1.6189372857318443
Energy: 1.4176530402787006
Energy: 1.4292205595451684
Energy: 1.41765304027975
Energy: 1.3237556184424073
Energy: 1.4149579315528427
Energy: 1.6113152665977284
Energy: 1.4149579315538916
Energy: 1.3237556184424073
Energy: 1.4149579315538916
Energy: 1.36321187052849
Energy: 1.6557570215535016
Energy: 1.6183435945888496
Energy: 1.6557570215493047
Energy: 1.36321187052849
Energy: 1.6557570215503539
Energy: 1.35787034822753
Energy: 1.4188655400586334
Energy: 1.3550607604746943
Energy: 1.4188655400554857
Energy: 1.35787034822753
Energy: 1.4188655400554857
Energy: 1.4640778248236543
Energy: 1.744498511783212
Energy: 1.3593278414708896
Energy: 1.7444985117821628
Energy: 1.4640778248236543
Energy: 1.744498511784261
Energy: 1.4644847564919679
Energy: 1.6540561761938957
Energy: 1.3555774707924513
Energy: 1.6540561761886499
Energy: 1.4644847564919679
Energy: 1.6540561761896992
Energy: 1.3628783526454986
Energy: 1.4204490847847855
Energy: 1.361441323511666
Energy: 1.4204490847837363
Energy: 1.3628783526454986
Energy: 1.4204490847837363
Energy: 1.3553265322184809
Energy: 1.3172173402771374
Energy: 1.6145030136772303
Energy: 1.3172173402813345
Energy: 1.3553265322184809
Energy: 1.3172173402655962

minimum gb energy = 1.3123140484013616 eV
minimum distance =  2.31558794021863 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.5307307068801514
Energy: 1.3865330362273027
Energy: 1.4835207606762535
Energy: 1.3865330362265385
Energy: 1.530730706880916
Energy: 1.3865330362273027
Energy: 1.4168240009208763
Energy: 1.3813401172930775
Energy: 1.3671807983555264
Energy: 1.3813401172930775
Energy: 1.4168240009208763
Energy: 1.3813401172930775
Energy: 1.3665718477650581
Energy: 1.4842860545299272
Energy: 1.4498549813719857
Energy: 1.4842860545299272
Energy: 1.3665718477658224
Energy: 1.4842860545299272
Energy: 1.5503707337792394
Energy: 1.3666048348596882
Energy: 1.4816792282910551
Energy: 1.366604834860453
Energy: 1.550370733778475
Energy: 1.3666048348612174
Energy: 1.3684123126018446
Energy: 1.433646689917448
Energy: 1.4773148089151555
Energy: 1.433646689917448
Energy: 1.3684123126018446
Energy: 1.433646689917448
Energy: 1.4656639210324474
Energy: 1.4643011868657196
Energy: 1.3871372212509896
Energy: 1.4643011868657196
Energy: 1.4656639210324474
Energy: 1.4643011868657196
Energy: 1.3889489008370737
Energy: 1.4651812624054232
Energy: 1.3819771740755658
Energy: 1.465181262406188
Energy: 1.3889489008370737
Energy: 1.465181262406188
Energy: 1.5008292325443244
Energy: 1.435117001278809
Energy: 1.370208120931529
Energy: 1.435117001278809
Energy: 1.5008292325450892
Energy: 1.435117001278809
Energy: 1.483401005834726
Energy: 1.367031197202689
Energy: 1.4821484245697671
Energy: 1.367031197202689
Energy: 1.483401005834726
Energy: 1.3670311972034537
Energy: 1.613637501044795
Energy: 1.4852264669994297
Energy: 1.3713767982169756
Energy: 1.4852264669994297
Energy: 1.613637501044795
Energy: 1.4852264669994297
Energy: 1.3691682381873873
Energy: 1.4200438559758797
Energy: 1.7194430911554315
Energy: 1.4200438559758797
Energy: 1.3691682381873873
Energy: 1.4200438559758797
Energy: 1.3813993222863685
Energy: 1.3866243141651444
Energy: 1.5353904981240414
Energy: 1.3866243141643801
Energy: 1.3813993222871328
Energy: 1.3866243141643801
Energy: 1.3667890352798973
Energy: 1.3823702515405631
Energy: 1.4817626252555578
Energy: 1.3823702515405631
Energy: 1.3667890352798973
Energy: 1.3823702515405631
Energy: 1.4811555250793806
Energy: 1.3667569419013519
Energy: 1.3716247163302624
Energy: 1.3667569419013519
Energy: 1.481155525080145
Energy: 1.3667569419021162
Energy: 1.4875071048587887
Energy: 1.3669554606074845
Energy: 1.3830013408220145
Energy: 1.3669554606090133
Energy: 1.4875071048587887
Energy: 1.366955460608249
Energy: 1.4653581438709646
Energy: 1.484500524092825
Energy: 1.3682334695701943
Energy: 1.4845005240943543
Energy: 1.4653581438702001
Energy: 1.4845005240935896
Energy: 1.3862477462985319
Energy: 1.3862986392232242
Energy: 1.4656302322596628
Energy: 1.3862986392224597
Energy: 1.3862477462985319
Energy: 1.3862986392224597
Energy: 1.382039943672625
Energy: 1.4664631161706174
Energy: 1.3862012721307693
Energy: 1.466463116169853
Energy: 1.382039943672625
Energy: 1.466463116169853
Energy: 1.3884403550734898
Energy: 1.3827549700850488
Energy: 1.4812589837356684
Energy: 1.3827549700850488
Energy: 1.3884403550734898
Energy: 1.3827549700850488
Energy: 1.3671043059055095
Energy: 1.5170154929332242
Energy: 1.481162228191481
Energy: 1.517015492933989
Energy: 1.3671043059047447
Energy: 1.517015492933989
Energy: 1.3662717577109946
Energy: 1.4871255573237867
Energy: 1.3873842640682255
Energy: 1.4871255573237867
Energy: 1.3662717577109946
Energy: 1.4871255573237867
Energy: 1.9864186724977997
Energy: 1.3728235549532664
Energy: 1.3672874877804004
Energy: 1.3728235549532664
Energy: 1.9864186724977997
Energy: 1.372823554952502
Energy: 1.986428620992221
Energy: 1.3669821563208582
Energy: 1.382160577707959
Energy: 1.3669821563208582
Energy: 1.986428620992221
Energy: 1.3669821563208582
Energy: 1.3671443576138016
Energy: 1.4848453318781047
Energy: 1.3819768801418228
Energy: 1.4848453318781047
Energy: 1.367144357613037
Energy: 1.4848453318781047
Energy: 1.366319872770049
Energy: 1.5169417524796334
Energy: 1.4806825807784618
Energy: 1.5169417524796334
Energy: 1.366319872770049
Energy: 1.5169417524803979
Energy: 1.384271873535046
Energy: 1.5367336713616766
Energy: 1.482003981984256
Energy: 1.5367336713616766
Energy: 1.3842718735357757
Energy: 1.5367336713609472
Energy: 1.3856581870746323
Energy: 1.4856703254749293
Energy: 1.4650270859203822
Energy: 1.4856703254749293
Energy: 1.3856581870746323
Energy: 1.4856703254749293
Energy: 1.4654040406297373
Energy: 1.492126186705846
Energy: 1.4652631946639587
Energy: 1.492126186705846
Energy: 1.4654040406297373
Energy: 1.492126186705846
Energy: 1.465197584095125
Energy: 1.4875278659245867
Energy: 1.3743802990227056
Energy: 1.4875278659261155
Energy: 1.465197584095125
Energy: 1.4875278659245867
Energy: 1.4820954896249103
Energy: 1.5367068280537257
Energy: 1.3843719806761647
Energy: 1.5367068280537257
Energy: 1.4820954896249103
Energy: 1.5367068280537257
Energy: 1.4805494907361396
Energy: 1.5191938577835946
Energy: 1.3663687488921588
Energy: 1.5191938577835946
Energy: 1.4805494907361396
Energy: 1.5191938577835946
Energy: 1.381996213200714
Energy: 1.4867708293324897
Energy: 1.3670033457070079
Energy: 1.4867708293317252
Energy: 1.3819962132014783
Energy: 1.4867708293324897
Energy: 1.382128396451338
Energy: 1.3668782356158715
Energy: 1.755712055486764
Energy: 1.366878235616636
Energy: 1.3821283964505733
Energy: 1.3668782356158715
Energy: 1.3672721634325269
Energy: 1.3728355403174999
Energy: 1.9864440509831345
Energy: 1.3728355403174999
Energy: 1.3672721634325269
Energy: 1.3728355403174999
Energy: 1.3872926048252263
Energy: 1.4872568417769827
Energy: 1.366186921090274
Energy: 1.4872568417777472
Energy: 1.3872926048252263
Energy: 1.4872568417777472
Energy: 1.4811299911046125
Energy: 1.5166356228538214
Energy: 1.3670510248218892
Energy: 1.5166356228538214
Energy: 1.4811299911046125
Energy: 1.5166356228545856

minimum gb energy = 1.366186921090274 eV
minimum distance =  2.29481769684877 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.4008836177047186
Energy: 1.4014750103098994
Energy: 1.5439834250682065
Energy: 1.4014750103101545
Energy: 1.4008836177047186
Energy: 1.4014750103104419
Energy: 1.400830976189327
Energy: 1.4012756079571556
Energy: 1.4005983339442614
Energy: 1.4012756079568685
Energy: 1.4008309761901567
Energy: 1.4012756079568685
Energy: 1.4007121953491193
Energy: 1.4012738483010603
Energy: 1.4008180835941932
Energy: 1.4012738483013476
Energy: 1.400712195348864
Energy: 1.4012738483013476
Energy: 1.5420222232046474
Energy: 1.401475010309612
Energy: 1.4008836177047186
Energy: 1.4014750103098994
Energy: 1.5420222232052219
Energy: 1.4014750103101545
Energy: 1.4005983339445487
Energy: 1.4012756079568685
Energy: 1.4008309761887525
Energy: 1.4012756079565811
Energy: 1.4005983339442614
Energy: 1.4012756079568685
Energy: 1.400818083595055
Energy: 1.4012738483010603
Energy: 1.400712195348864
Energy: 1.4012738483010603
Energy: 1.4008180835944806
Energy: 1.4012738483010603
Energy: 1.4008836177047186
Energy: 1.4014750103101545
Energy: 1.5420222232113823
Energy: 1.4014750103104419
Energy: 1.4008836177047186
Energy: 1.4014750103101545
Energy: 1.4008309761890398
Energy: 1.4012756079568685
Energy: 1.4005983339442614
Energy: 1.4012756079571556
Energy: 1.4008309761890398
Energy: 1.4012756079571556
Energy: 1.4007121953491193
Energy: 1.4012738483013476
Energy: 1.400818083595055
Energy: 1.4012738483010603
Energy: 1.400712195348864
Energy: 1.4012738483010603
Energy: 1.5420222232147656
Energy: 1.4014750103104419
Energy: 1.4008836177047186
Energy: 1.4014750103101545
Energy: 1.542022223214191
Energy: 1.401475010309612

minimum gb energy = 1.4005983339442614 eV
minimum distance =  2.28298685155198 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.8213728263291924
Energy: 1.821626053254717
Energy: 1.4015801449198533
Energy: 1.8216260532538766
Energy: 1.8213728263291924
Energy: 1.8216260532538766
Energy: 1.3647277761403214
Energy: 1.3816283507590128
Energy: 1.3423700222579327
Energy: 1.3816283507598532
Energy: 1.3647277761420025
Energy: 1.3816283507598532
Energy: 1.3602455272127427
Energy: 1.3603652529515047
Energy: 1.470235861015252
Energy: 1.3603652529531856
Energy: 1.3602455272127427
Energy: 1.3603652529531856
Energy: 1.5980563388664202
Energy: 1.8101419565832766
Energy: 1.387268758612493
Energy: 1.8101419565815955
Energy: 1.5980563388664202
Energy: 1.8101419565824362
Energy: 1.3618454162076679
Energy: 1.3595214914516562
Energy: 1.561859046297256
Energy: 1.3595214914541778
Energy: 1.3618454162068272
Energy: 1.3595214914541778
Energy: 1.5915199929804926
Energy: 1.4280249100440308
Energy: 1.3448115265436227
Energy: 1.4280249100406688
Energy: 1.5915199929804926
Energy: 1.4280249100406688
Energy: 1.3618768358688946
Energy: 1.3595488084765384
Energy: 1.5893094485812806
Energy: 1.3595488084756981
Energy: 1.3618768358688946
Energy: 1.3595488084756981
Energy: 1.3602838743187946
Energy: 1.8100912259892021
Energy: 1.3925526742910244
Energy: 1.8100912259900424
Energy: 1.360283874319635
Energy: 1.8100912259900424
Energy: 1.3605521382982755
Energy: 1.3603685413888544
Energy: 1.783466513175858
Energy: 1.360368541389695
Energy: 1.3605521382982755
Energy: 1.360368541389695
Energy: 1.3622459410217147
Energy: 1.3819847121875608
Energy: 1.3415152931810497
Energy: 1.3819847121875608
Energy: 1.3622459410217147
Energy: 1.3819847121875608
Energy: 1.8134709580968904
Energy: 1.456200103339139
Energy: 1.3818104208036779
Energy: 1.4562001033382983
Energy: 1.8134709580968904
Energy: 1.4562001033382983
Energy: 1.8127938915556425
Energy: 1.4635598067958226
Energy: 1.3413645496425286
Energy: 1.463559806796663
Energy: 1.8127938915556425
Energy: 1.4635598067958226
Energy: 1.3606101096679382
Energy: 1.4551774670486957
Energy: 1.3415018563199506
Energy: 1.455177467047015
Energy: 1.3606101096679382
Energy: 1.455177467047015
Energy: 1.3598401688541397
Energy: 1.67664815958136
Energy: 1.3860744814079364
Energy: 1.676648159582201
Energy: 1.3598401688541397
Energy: 1.676648159582201
Energy: 1.35944433285351
Energy: 1.4636367694156536
Energy: 1.3866802468395605
Energy: 1.4636367694156536
Energy: 1.35944433285351
Energy: 1.4636367694156536
Energy: 1.3597270094778746
Energy: 1.3821753062109645
Energy: 1.3430830658113981
Energy: 1.382175306210124
Energy: 1.3597270094778746
Energy: 1.382175306210124
Energy: 1.3595305478780648
Energy: 1.3822059157379678
Energy: 1.3430673306930687
Energy: 1.3822059157371271
Energy: 1.3595305478780648
Energy: 1.3822059157371271
Energy: 1.3595168946868288
Energy: 1.4932048201937267
Energy: 1.3865258622409677
Energy: 1.493204820192886
Energy: 1.3595168946859881
Energy: 1.4932048201937267
Energy: 1.3602640252505394
Energy: 1.676126631139557
Energy: 1.3866498448403008
Energy: 1.6761266311403975
Energy: 1.3602640252505394
Energy: 1.6761266311403975
Energy: 1.360945085477102
Energy: 1.382673598853482
Energy: 1.3414778279097341
Energy: 1.3826735988551628
Energy: 1.360945085477102
Energy: 1.3826735988543224
Energy: 1.8126613378190066
Energy: 1.4632757361092534
Energy: 1.3414443793131665
Energy: 1.4632757361117747
Energy: 1.8126613378190066
Energy: 1.4632757361117747
Energy: 1.81610199576958
Energy: 1.4557116784830657
Energy: 1.381764911897493
Energy: 1.4557116784855875
Energy: 1.81610199576958
Energy: 1.4557116784855875
Energy: 1.3600298280147967
Energy: 1.3819459584469251
Energy: 1.3414445528124845
Energy: 1.3819459584452445
Energy: 1.3600298280147967
Energy: 1.3819459584444038
Energy: 1.3606542440197242
Energy: 1.3605751570188478
Energy: 1.783552196174541
Energy: 1.3605751570222102
Energy: 1.3606542440197242
Energy: 1.3605751570222102
Energy: 1.3600772713543128
Energy: 1.4927781821111037
Energy: 1.386263139464598
Energy: 1.4927781821119441
Energy: 1.3600772713534721
Energy: 1.4927781821119441
Energy: 1.3651352026573753
Energy: 1.601982102275527
Energy: 1.4271130811117374
Energy: 1.6019821022738459
Energy: 1.3651352026573753
Energy: 1.6019821022738459
Energy: 1.3604597714027091
Energy: 1.381410282320724
Energy: 1.34390230274425
Energy: 1.3814102823190428
Energy: 1.3604597714027091
Energy: 1.3814102823190428
Energy: 1.365121488790177
Energy: 1.4574270645572631
Energy: 1.7836634245182197
Energy: 1.4574270645530607
Energy: 1.365121488790177
Energy: 1.4574270645530607
Energy: 1.4552641894217333
Energy: 1.575622053939339
Energy: 1.3892560403709278
Energy: 1.575622053939339
Energy: 1.4552641894217333
Energy: 1.5756220539401793
Energy: 1.3611796175122393
Energy: 1.3605361830219933
Energy: 1.56098095033335
Energy: 1.360536183024515
Energy: 1.3611796175122393
Energy: 1.360536183024515
Energy: 1.4599783477255992
Energy: 1.3816421292559549
Energy: 1.3444853037491922
Energy: 1.3816421292551144
Energy: 1.4599783477255992
Energy: 1.3816421292551144
Energy: 1.8155565484491352
Energy: 1.8222209718519546
Energy: 1.3827119121085378
Energy: 1.822220971849433
Energy: 1.8155565484491352
Energy: 1.822220971849433
Energy: 1.359679141578016
Energy: 1.3816607864489248
Energy: 1.341459089859189
Energy: 1.3816607864489248
Energy: 1.359679141578857
Energy: 1.3816607864489248

minimum gb energy = 1.3413645496425286 eV
minimum distance =  2.25270567065194 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.5160282624050962
Energy: 1.605132063804262
Energy: 1.306774129780223
Energy: 1.605132063804262
Energy: 1.5160282624050962
Energy: 1.6051320638054598
Energy: 1.6542808555790585
Energy: 1.4515972238803512
Energy: 1.3055770777873277
Energy: 1.451597223883944
Energy: 1.6542808555790585
Energy: 1.451597223883944
Energy: 1.2915262031135593
Energy: 1.3639784700746331
Energy: 1.5801251035962844
Energy: 1.3639784700758308
Energy: 1.2915262031135593
Energy: 1.3639784700758308
Energy: 1.79152274639057
Energy: 1.6596310832584522
Energy: 1.4499667644057406
Energy: 1.65963108325965
Energy: 1.7915227463893724
Energy: 1.6596310832584522
Energy: 1.4507710233278246
Energy: 1.6615762853722125
Energy: 1.591435625981551
Energy: 1.6615762853746079
Energy: 1.4507710233278246
Energy: 1.6615762853746079
Energy: 1.446414754702374
Energy: 1.300427043624366
Energy: 1.2921752084833136
Energy: 1.300427043624366
Energy: 1.446414754702374
Energy: 1.300427043624366
Energy: 1.2961411003576981
Energy: 1.3003181606238488
Energy: 1.3086585984774841
Energy: 1.3003181606214533
Energy: 1.2961411003576981
Energy: 1.3003181606214533
Energy: 1.4499755275423372
Energy: 1.6531178502823796
Energy: 1.8674314088064723
Energy: 1.6531178502811816
Energy: 1.4499755275411395
Energy: 1.6531178502811816
Energy: 1.4522348763044106
Energy: 1.4502772525895022
Energy: 1.8680326399975828
Energy: 1.4502772525918974
Energy: 1.452234876305608
Energy: 1.4502772525918974
Energy: 1.4502858590188707
Energy: 1.4498950809670996
Energy: 1.3051196141177164
Energy: 1.4498950809670996
Energy: 1.4502858590188707
Energy: 1.4498950809670996
Energy: 1.4529498498625346
Energy: 1.388028854310466
Energy: 1.3002183745240514
Energy: 1.3880288543056751
Energy: 1.4529498498637325
Energy: 1.3880288543068728
Energy: 1.4470995366976305
Energy: 1.3706218099281706
Energy: 1.446549536080228
Energy: 1.3706218099293683
Energy: 1.4470995366976305
Energy: 1.3706218099293683
Energy: 1.2999002079460225
Energy: 1.3056405830575313
Energy: 1.453018477743426
Energy: 1.3056405830563336
Energy: 1.2999002079460225
Energy: 1.3056405830563336
Energy: 1.3060781756718867
Energy: 1.5228942449475154
Energy: 1.4501895946726426
Energy: 1.5228942449487128
Energy: 1.3060781756718867
Energy: 1.5228942449487128
Energy: 1.8677426434368245
Energy: 1.510481287424547
Energy: 1.452015222174071
Energy: 1.510481287424547
Energy: 1.8677426434368245
Energy: 1.510481287424547
Energy: 1.861343911267748
Energy: 1.5276780555536214
Energy: 1.449442725684934
Energy: 1.527678055554819
Energy: 1.861343911267748
Energy: 1.527678055554819
Energy: 1.3002502848579731
Energy: 1.3001817837747043
Energy: 1.4509586307927047
Energy: 1.3001817837759018
Energy: 1.3002502848579731
Energy: 1.3001817837747043
Energy: 1.2947168640223852
Energy: 1.299633519796716
Energy: 1.4463577152839246
Energy: 1.2996335197943207
Energy: 1.2947168640223852
Energy: 1.2996335197943207
Energy: 1.8867316627816682
Energy: 1.6607677447427176
Energy: 1.450501829151679
Energy: 1.6607677447403222
Energy: 1.8867316627816682
Energy: 1.6607677447427176
Energy: 1.4494707154146396
Energy: 1.3010440310881732
Energy: 1.4578315205833463
Energy: 1.3010440310893707
Energy: 1.4494707154146396
Energy: 1.3010440310869753
Energy: 1.73504288755915
Energy: 1.4988357549293696
Energy: 1.3015674065387883
Energy: 1.4988357549305673
Energy: 1.73504288755915
Energy: 1.4988357549305673
Energy: 1.3080796073938894
Energy: 1.4518888964636085
Energy: 1.7289057041637694
Energy: 1.451888896461213
Energy: 1.3080796073938894
Energy: 1.451888896461213
Energy: 1.6487165201992093
Energy: 1.8940750171109562
Energy: 1.341610180870289
Energy: 1.8940750171097585
Energy: 1.6487165201992093
Energy: 1.8940750171097585

minimum gb energy = 1.2915262031135593 eV
minimum distance =  2.22287769974324 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.6138379821912456
Energy: 1.2524547376640682
Energy: 1.9315455092465155
Energy: 1.2524547376633086
Energy: 1.613837982190486
Energy: 1.2524547376640682
Energy: 1.8506685983700828
Energy: 1.603881012798553
Energy: 1.2074818958980964
Energy: 1.603881012798553
Energy: 1.8506685983700828
Energy: 1.603881012798553
Energy: 1.2136102686964232
Energy: 1.28609085206236
Energy: 1.7907423836796896
Energy: 1.2860908520638792
Energy: 1.2136102686964232
Energy: 1.2860908520631196
Energy: 1.2889587983774724
Energy: 1.573796015350321
Energy: 1.2209425995285297
Energy: 1.573796015350321
Energy: 1.2889587983782322
Energy: 1.573796015350321
Energy: 1.5697571472445484
Energy: 1.6534366769160898
Energy: 1.5611213866785063
Energy: 1.6534366769168496
Energy: 1.5697571472453082
Energy: 1.6534366769168496
Energy: 1.5703870871613625
Energy: 1.332286111642276
Energy: 1.2141372279226663
Energy: 1.3322861116415163
Energy: 1.5703870871613625
Energy: 1.4334947877719448
Energy: 1.2138861016857805
Energy: 1.228928714766969
Energy: 1.230445586568573
Energy: 1.228928714766969
Energy: 1.2138861016850206
Energy: 1.228928714766969
Energy: 1.2281659177791184
Energy: 1.2079516439532751
Energy: 1.5719349335703943
Energy: 1.2079516439532751
Energy: 1.2281659177783586
Energy: 1.207951643952515
Energy: 1.5610055644454837
Energy: 1.4777597240539
Energy: 1.569999119494475
Energy: 1.4777597240539
Energy: 1.5610055644447238
Energy: 1.4777597240539
Energy: 1.2273390859562991
Energy: 1.2310789604352719
Energy: 1.2137531213448702
Energy: 1.2285794408762007
Energy: 1.2273390859562991
Energy: 1.2310789604352719
Energy: 1.208574641807647
Energy: 1.2298375634769751
Energy: 1.2346660363588633
Energy: 1.229837563477735
Energy: 1.2085746418068875
Energy: 1.229837563477735
Energy: 1.213423167404817
Energy: 1.2959131021274983
Energy: 1.9222970689856291
Energy: 1.2959131021267383
Energy: 1.213423167404817
Energy: 1.2959131021274983
Energy: 1.5942139246394968
Energy: 1.6588181693695014
Energy: 1.605927250791741
Energy: 1.6588181693695014
Energy: 1.5942139246394968
Energy: 1.6588181693702615
Energy: 1.207592775320823
Energy: 1.6043382388707816
Energy: 1.2185943112253903
Energy: 1.6043382388723015
Energy: 1.207592775320823
Energy: 1.6043382388715417
Energy: 1.5610391424341774
Energy: 1.2868260333383925
Energy: 1.2094247990070786
Energy: 1.2868260333376325
Energy: 1.5610391424341774
Energy: 1.2868260333376325
Energy: 1.2207089957471906
Energy: 1.5732967058073626
Energy: 1.5421140765930894
Energy: 1.5732967058073626
Energy: 1.2207089957471906
Energy: 1.5732967058073626
Energy: 1.8811669815198133
Energy: 1.6440670222884197
Energy: 1.5781740820947066
Energy: 1.6440670222884197
Energy: 1.8811669815198133
Energy: 1.6440670222891793
Energy: 1.2104342840976887
Energy: 1.228333382144005
Energy: 1.7270010842439443
Energy: 1.2283333821432452
Energy: 1.2104342840976887
Energy: 1.2283333821432452
Energy: 1.5360486805516687
Energy: 1.228085195598882
Energy: 1.209289545016352
Energy: 1.228085195598882
Energy: 1.5360486805509088
Energy: 1.228085195598882
Energy: 1.5727815128590548
Energy: 1.653950848435338
Energy: 1.2315332425855885
Energy: 1.653950848436098
Energy: 1.5727815128582951
Energy: 1.653950848435338
Energy: 1.852483860934022
Energy: 1.4604527410717822
Energy: 1.2226496204400774
Energy: 1.4604527410710226
Energy: 1.852483860934022
Energy: 1.4604527410710226
Energy: 1.210569772408674
Energy: 1.229065197462367
Energy: 1.559912003521516
Energy: 1.2290651974631268
Energy: 1.210569772408674
Energy: 1.229065197462367
Energy: 1.2302930731472574
Energy: 1.229862729980699
Energy: 1.209774704152944
Energy: 1.229862729980699
Energy: 1.2302930731472574
Energy: 1.229862729980699
Energy: 1.6069478504506414
Energy: 1.4603485235967868
Energy: 1.208116610350742
Energy: 1.4603485235975464
Energy: 1.6069478504506414
Energy: 1.4603485235975464
Energy: 1.9221532134287518
Energy: 1.2947912348148687
Energy: 1.2076469009223803
Energy: 1.2947912348148687
Energy: 1.9221532134287518
Energy: 1.2947912348148687
Energy: 1.2307910832046574
Energy: 1.235091581247125
Energy: 1.213878586241036
Energy: 1.2350915812501642
Energy: 1.2307910832046574
Energy: 1.2350915812524434
Energy: 1.2135521705407213
Energy: 1.229341596661038
Energy: 1.5611844849080585
Energy: 1.2293415966617975
Energy: 1.2135521705407213
Energy: 1.2293415966617975
Energy: 1.5702899418962546
Energy: 1.456918760356724
Energy: 1.22673451123036
Energy: 1.456918760356724
Energy: 1.5702899418962546
Energy: 1.456918760356724
Energy: 1.5699930523688232
Energy: 1.2086424462694092
Energy: 1.229336798167067
Energy: 1.2086424462694092
Energy: 1.5699930523688232
Energy: 1.2086424462686496
Energy: 1.229917710566196
Energy: 1.2285001667004731
Energy: 1.2106050041740548
Energy: 1.2285001667004731
Energy: 1.2299177105654364
Energy: 1.2285001667004731
Energy: 1.2135048262380594
Energy: 1.434055809259064
Energy: 1.8433222107086897
Energy: 1.434055809259064
Energy: 1.2135048262380594
Energy: 1.434055809259064
Energy: 1.5596214570947116
Energy: 1.6445119864650666
Energy: 1.5726907436954547
Energy: 1.6445119864650666
Energy: 1.5596214570954714
Energy: 1.6445119864650666
Energy: 1.2202023671713713
Energy: 1.5733033700873444
Energy: 1.6254950564148258
Energy: 1.5733033700873444
Energy: 1.2202023671713713
Energy: 1.5733033700865846
Energy: 1.800858713619018
Energy: 1.2862187981103685
Energy: 1.2104058315495418
Energy: 1.286218798109609
Energy: 1.800858713619018
Energy: 1.286218798109609
Energy: 1.2071897057086223
Energy: 1.604070890490964
Energy: 1.7239298925203832
Energy: 1.604070890490964
Energy: 1.2071897057086223
Energy: 1.604070890490964
Energy: 1.5908155509702337
Energy: 1.6600786761079285
Energy: 1.609273635356015
Energy: 1.6600786761071689
Energy: 1.5908155509694737
Energy: 1.6600786761071689
Energy: 1.20928520881852
Energy: 1.7926910699541878
Energy: 1.8469244240252454
Energy: 1.7926910699541878
Energy: 1.20928520881852
Energy: 1.7926910699541878

minimum gb energy = 1.2071897057086223 eV
minimum distance =  2.20609248096302 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.0165609548915717
Energy: 0.9956728941574505
Energy: 2.0017511825124217
Energy: 0.995672894159525
Energy: 1.0165609548915717
Energy: 0.995672894159525
Energy: 1.855976067754016
Energy: 0.9940148438742052
Energy: 0.9947488130690164
Energy: 0.9940148438742052
Energy: 1.855976067754016
Energy: 0.9940148438721308
Energy: 1.0177150729557987
Energy: 1.2330130637415473
Energy: 0.9971660258750646
Energy: 1.2330130637415473
Energy: 1.0177150729557987
Energy: 1.2330130637415473
Energy: 1.8709244117696358
Energy: 0.9940494924268248
Energy: 0.9949752687901262
Energy: 0.9940494924268248
Energy: 1.8709244117696358
Energy: 0.9940494924268248
Energy: 1.0180289535374296
Energy: 0.9943187494809919
Energy: 0.9961151404591059
Energy: 0.9943187494809919
Energy: 1.0180289535374296
Energy: 0.994318749483066
Energy: 1.0169986209566535
Energy: 1.0385199467309083
Energy: 0.9957669041874252
Energy: 1.038519946728834
Energy: 1.0169986209566535
Energy: 1.038519946728834
Energy: 1.8698918693931807
Energy: 0.9941659971030827
Energy: 0.9957029877495909
Energy: 0.9941659971010084
Energy: 1.8698918693952553
Energy: 0.9941659971010084
Energy: 1.0160791687452042
Energy: 0.9943353083417825
Energy: 0.9962187525534913
Energy: 0.9943353083417825
Energy: 1.0160791687452042
Energy: 0.9943353083417825
Energy: 1.8194484253146719
Energy: 1.038771775101282
Energy: 0.9950446468265598
Energy: 1.038771775101282
Energy: 1.8194484253125975
Energy: 1.038771775101282
Energy: 1.016928410281536
Energy: 1.57215358276727
Energy: 0.9970405679149329
Energy: 1.5721535827651956
Energy: 1.0169284102794616
Energy: 1.57215358276727
Energy: 1.8257202287075815
Energy: 0.9941120627854237
Energy: 0.9946953927040102
Energy: 0.9941120627854237
Energy: 1.8257202287075815
Energy: 0.9941120627854237
Energy: 1.0174377884877395
Energy: 1.2331193729355099
Energy: 1.8131517726656519
Energy: 1.2331193729355099
Energy: 1.0174377884877395
Energy: 1.2331193729355099
Energy: 1.8257654287040266
Energy: 0.9938925370626274
Energy: 0.9947992952785287
Energy: 0.9938925370605529
Energy: 1.8257654287040266
Energy: 0.9938925370605529
Energy: 1.0169497170408324
Energy: 1.5721989896668587
Energy: 0.9968634409759959
Energy: 1.5721989896668587
Energy: 1.0169497170429067
Energy: 1.5721989896668587

minimum gb energy = 0.9938925370605529 eV
minimum distance =  2.26114535777266 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.9224569573656698
Energy: 1.3503182342752214
Energy: 1.8486574153602477
Energy: 1.3503182342743103
Energy: 1.9224569573656698
Energy: 1.3503182342743103
Energy: 1.3490805811330222
Energy: 1.4352848523808106
Energy: 1.3474197005794342
Energy: 1.4352848523798991
Energy: 1.3490805811339335
Energy: 1.4352848523798991
Energy: 1.3411557250862975
Energy: 1.3723116532093516
Energy: 1.347891121116101
Energy: 1.37231165320844
Energy: 1.3411557250862975
Energy: 1.37231165320844
Energy: 1.367679362771673
Energy: 1.3601123369168218
Energy: 1.3491051245104402
Energy: 1.3601123369168218
Energy: 1.367679362771673
Energy: 1.3601123369168218
Energy: 1.3498705802923188
Energy: 1.422758893722259
Energy: 1.360975627344299
Energy: 1.422758893721348
Energy: 1.3498705802923188
Energy: 1.422758893722259
Energy: 1.4422137177270016
Energy: 1.3642796137396076
Energy: 1.34974609979178
Energy: 1.3642796137396076
Energy: 1.4422137177270016
Energy: 1.3642796137396076
Energy: 1.3688657354205556
Energy: 1.3492834162012326
Energy: 1.4404246153317533
Energy: 1.3492834162021439
Energy: 1.3688657354205556
Energy: 1.349283416200321
Energy: 1.3482061232719904
Energy: 1.4840879651151102
Energy: 1.342861050704397
Energy: 1.4840879651151102
Energy: 1.3482061232719904
Energy: 1.4840879651151102
Energy: 1.3415419083586841
Energy: 1.4074606943442676
Energy: 1.3455190869312363
Energy: 1.4074606943442676
Energy: 1.3415419083586841
Energy: 1.4074606943451788
Energy: 1.3488661638073287
Energy: 1.4339701016164603
Energy: 1.3633786171190319
Energy: 1.4339701016164603
Energy: 1.3488661638073287
Energy: 1.433970101615549
Energy: 1.3628607930193914
Energy: 1.3418625646033875
Energy: 1.3716382044114
Energy: 1.341862564604299
Energy: 1.3628607930193914
Energy: 1.341862564604299
Energy: 1.3476779725492443
Energy: 1.3479284124382975
Energy: 1.3709270358135273
Energy: 1.3479284124401198
Energy: 1.3476779725492443
Energy: 1.3479284124401198
Energy: 1.3482404905629717
Energy: 1.364453561513688
Energy: 1.3726750999976727
Energy: 1.3644535615118654
Energy: 1.3482404905629717
Energy: 1.3644535615118654
Energy: 1.3604409471391437
Energy: 1.4123569263493438
Energy: 1.3596355726336895
Energy: 1.4123569263493438
Energy: 1.3604409471391437
Energy: 1.4123569263502553
Energy: 1.349399233383655
Energy: 1.5986717282286638
Energy: 1.4163510688110814
Energy: 1.59867172822593
Energy: 1.349399233383655
Energy: 1.59867172822593
Energy: 1.3629598375957772
Energy: 1.6121673400792602
Energy: 1.4410737489338872
Energy: 1.6121673400801715
Energy: 1.3629598375948662
Energy: 1.612167340078349
Energy: 1.4405162243180891
Energy: 1.4197015288395347
Energy: 1.349466437943989
Energy: 1.4197015288486479
Energy: 1.4405162243171779
Energy: 1.4197015288459138
Energy: 1.3491395921002298
Energy: 1.5988839211424448
Energy: 1.351654601814313
Energy: 1.5988839211442671
Energy: 1.3491395920993186
Energy: 1.5988839211442671
Energy: 1.3604401273179216
Energy: 1.5325536033597613
Energy: 1.3600502000482644
Energy: 1.5325536033597613
Energy: 1.3604401273170104
Energy: 1.5325536033597613
Energy: 1.3426573872972563
Energy: 1.36972395226189
Energy: 1.348347719439804
Energy: 1.369723952260979
Energy: 1.3426573872981673
Energy: 1.369723952260979
Energy: 1.4622977418596705
Energy: 1.4389988168598218
Energy: 1.3476880811718157
Energy: 1.4389988168662011
Energy: 1.4622977418596705
Energy: 1.4389988168643784
Energy: 1.460162706537226
Energy: 1.349185208229016
Energy: 1.3651150260660139
Energy: 1.3491852082281048
Energy: 1.4601627065381375
Energy: 1.349185208229016
Energy: 1.3487038674218985
Energy: 1.36087599115679
Energy: 1.4589881261403017
Energy: 1.3608759911558788
Energy: 1.3487038674218985
Energy: 1.36087599115679
Energy: 1.3435493184347826
Energy: 1.417147382745023
Energy: 1.3417798424243355
Energy: 1.4171473827468455
Energy: 1.3435493184347826
Energy: 1.4171473827468455
Energy: 1.3413485446493025
Energy: 1.4844997258425208
Energy: 1.348821414963413
Energy: 1.4844997258416093
Energy: 1.3413485446493025
Energy: 1.4844997258416093
Energy: 1.4402163379899457
Energy: 1.420298582776983
Energy: 1.3665895397547818
Energy: 1.4202985827760715
Energy: 1.4402163379899457
Energy: 1.420298582776983
Energy: 1.3495068696251535
Energy: 1.4250865851781607
Energy: 1.3500295674205656
Energy: 1.4250865851781607
Energy: 1.3495068696260646
Energy: 1.425086585179072
Energy: 1.3620756216683814
Energy: 1.3505753273425616
Energy: 1.4421468550393937
Energy: 1.3505753273425616
Energy: 1.3620756216683814
Energy: 1.3505753273425616
Energy: 1.3483247583425542
Energy: 1.3609805630301814
Energy: 1.371187968791454
Energy: 1.360980563031093
Energy: 1.3483247583425542
Energy: 1.3609805630301814
Energy: 1.3486089188311492
Energy: 1.3707593655985728
Energy: 1.3414949767434057
Energy: 1.3707593655985728
Energy: 1.3486089188311492
Energy: 1.3707593655985728
Energy: 1.3493175009629348
Energy: 1.9201980059274262
Energy: 1.3454716478628883
Energy: 1.9201980059265151
Energy: 1.3493175009620233
Energy: 1.9201980059265151

minimum gb energy = 1.3411557250862975 eV
minimum distance =  2.20510247867124 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.5155029088793381
Energy: 1.515233969741058
Energy: 1.6724707490799389
Energy: 1.515233969741058
Energy: 1.5155029088793381
Energy: 1.515233969741058
Energy: 1.4851922715460864
Energy: 1.5473454093986325
Energy: 1.4739214388393256
Energy: 1.5473454093986325
Energy: 1.4851922715460864
Energy: 1.5417089796813812
Energy: 1.5312593714433436
Energy: 1.5553949950561803
Energy: 1.473855663230731
Energy: 1.5553949950561803
Energy: 1.5312593714433436
Energy: 1.5553949950561803
Energy: 1.4740902282420925
Energy: 1.5733623754112225
Energy: 1.4739608863771017
Energy: 1.631560166067493
Energy: 1.4740902282404709
Energy: 1.573362375407979
Energy: 1.4738491598985695
Energy: 1.5553900004958325
Energy: 1.5270942604735758
Energy: 1.5553900004958325
Energy: 1.4738491598985695
Energy: 1.5553900004958325
Energy: 1.4739228650502776
Energy: 1.541898200306299
Energy: 1.4855256460322457
Energy: 1.5418982003046775
Energy: 1.4739228650502776
Energy: 1.5418982003046775
Energy: 1.6884791981466796
Energy: 1.5152339697394364
Energy: 1.5155029088793381
Energy: 1.515233969741058
Energy: 1.6884791981466796
Energy: 1.5152339697394364
Energy: 1.4739214388377038
Energy: 1.568959031325992
Energy: 1.4851922715460864
Energy: 1.5689590313276134
Energy: 1.4739214388377038
Energy: 1.5689590313243702
Energy: 1.473855663230731
Energy: 1.5553949950561803
Energy: 1.5312593714449654
Energy: 1.5553949950561803
Energy: 1.473855663230731
Energy: 1.5553949950561803
Energy: 1.4739608863771017
Energy: 1.6089535711350498
Energy: 1.4740902282420925
Energy: 1.5733623754306822
Energy: 1.4739608863771017
Energy: 1.6848452760029566
Energy: 1.5270942604735758
Energy: 1.5553900004958325
Energy: 1.4738491598985695
Energy: 1.5553900004958325
Energy: 1.5270942604735758
Energy: 1.5553900004958325
Energy: 1.4855256460322457
Energy: 1.541898200306299
Energy: 1.4739228650486558
Energy: 1.541898200306299
Energy: 1.4855256460322457
Energy: 1.541898200306299
Energy: 1.5155029088793381
Energy: 1.5152339697426798
Energy: 1.5437981441609587
Energy: 1.515233969741058
Energy: 1.5155029088793381
Energy: 1.515233969741058
Energy: 1.4851922715460864
Energy: 1.5417089796813812
Energy: 1.4739214388377038
Energy: 1.5417089796813812
Energy: 1.4851922715460864
Energy: 1.5417089796813812
Energy: 1.5312593714449654
Energy: 1.5553949950561803
Energy: 1.473855663230731
Energy: 1.5553949950561803
Energy: 1.5312593714449654
Energy: 1.5553949950561803
Energy: 1.4740902282420925
Energy: 1.5733623754485204
Energy: 1.4739608863771017
Energy: 1.5733623754225738
Energy: 1.4740902282420925
Energy: 1.573362375451727
Energy: 1.4738491598985695
Energy: 1.5553900004958325
Energy: 1.5270942604735758
Energy: 1.5553900004958325
Energy: 1.4738491598985695
Energy: 1.5553900004958325

minimum gb energy = 1.4738491598985695 eV
minimum distance =  2.25142225301397 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.7943374713981484
Energy: 1.7259687297939965
Energy: 1.6378142944474876
Energy: 1.7259687297979387
Energy: 1.7943374713981484
Energy: 1.7259687297979387
Energy: 1.4737245772318681
Energy: 1.6316863877050072
Energy: 1.5641383038838015
Energy: 1.6316863877050072
Energy: 1.4737245772318681
Energy: 1.631686387702359
Energy: 1.5933520536275152
Energy: 1.6914640629095812
Energy: 1.5647134549062292
Energy: 1.6914640629095812
Energy: 1.5933520536275152
Energy: 1.6914640629095812
Energy: 1.5848384121189296
Energy: 1.5941608194155805
Energy: 1.4916561275172484
Energy: 1.5941608194129326
Energy: 1.5848384121189296
Energy: 1.5941608194129326
Energy: 1.4756805961253596
Energy: 1.6875501169137852
Energy: 1.565535569076695
Energy: 1.6875501169137852
Energy: 1.4756805961240353
Energy: 1.6875501169137852
Energy: 1.5849787964310804
Energy: 1.5942611402911955
Energy: 1.6143317106432282
Energy: 1.5942611402911955
Energy: 1.5849787964310804
Energy: 1.5942611402911955
Energy: 1.5827174866052813
Energy: 1.6874094184275168
Energy: 1.5647010776980192
Energy: 1.6874094184275168
Energy: 1.5827174866066054
Energy: 1.6874094184275168
Energy: 1.473430422558676
Energy: 1.53893437146352
Energy: 1.566485783829182
Energy: 1.53893437146352
Energy: 1.473430422558676
Energy: 1.53893437146352
Energy: 1.4740911661773526
Energy: 1.6761473524523771
Energy: 1.493609022707354
Energy: 1.6761473524510533
Energy: 1.4740911661773526
Energy: 1.6761473524510533
Energy: 1.5824476615056
Energy: 1.7403229095879287
Energy: 1.5670147300066497
Energy: 1.7403229095892527
Energy: 1.5824476615056
Energy: 1.7403229095892527
Energy: 1.5819480099142442
Energy: 1.6062120736290246
Energy: 1.532715086445731
Energy: 1.6062120736303487
Energy: 1.5819480099142442
Energy: 1.6062120736303487
Energy: 1.581628679809271
Energy: 1.5958029553164008
Energy: 1.5203668860969273
Energy: 1.5958029553111046
Energy: 1.581628679809271
Energy: 1.5958029553124284
Energy: 1.581695006415455
Energy: 1.6832263838777954
Energy: 1.5327682432969851
Energy: 1.6832263838791197
Energy: 1.581695006415455
Energy: 1.6832263838791197
Energy: 1.5818486862458427
Energy: 1.592448275731744
Energy: 1.4903194609247223
Energy: 1.5924482757330682
Energy: 1.5818486862458427
Energy: 1.5924482757330682
Energy: 1.6378665663829772
Energy: 1.7450112377463578
Energy: 1.5718375868949015
Energy: 1.7450112377463578
Energy: 1.6378665663829772
Energy: 1.7450112377463578
Energy: 1.4765189747313208
Energy: 1.6772556719289942
Energy: 1.4908505508116436
Energy: 1.6772556719276703
Energy: 1.4765189747326446
Energy: 1.6772556719276703
Energy: 1.4740423298322327
Energy: 1.5796725943136478
Energy: 1.5226453879928856
Energy: 1.5796725943096759
Energy: 1.4740423298322327
Energy: 1.5796725943096759
Energy: 1.5890308356738392
Energy: 1.6889126857296994
Energy: 1.56703310238826
Energy: 1.688912685727051
Energy: 1.5890308356738392
Energy: 1.6889126857283752
Energy: 1.5822662555211584
Energy: 1.5954437279059877
Energy: 1.522777656604406
Energy: 1.5954437279046636
Energy: 1.5822662555211584
Energy: 1.5954437279033398
Energy: 1.5837525601860858
Energy: 1.6864525974465114
Energy: 1.565923137526566
Energy: 1.6864525974478353
Energy: 1.5837525601860858
Energy: 1.6864525974478353
Energy: 1.5820294666536747
Energy: 1.5953799439037948
Energy: 1.4917791179885158
Energy: 1.5953799439024705
Energy: 1.5820294666536747
Energy: 1.5953799439024705

minimum gb energy = 1.473430422558676 eV
minimum distance =  2.25250783472267 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6421238689333302
Energy: 1.795365716473015
Energy: 1.5652583085638339
Energy: 1.795365716474131
Energy: 1.6421238689344462
Energy: 1.795365716474131
Energy: 1.4766098802799177
Energy: 1.6634600505669408
Energy: 1.4765640288048891
Energy: 1.6634600505669408
Energy: 1.4766098802799177
Energy: 1.6634600505658248
Energy: 1.4960376125181998
Energy: 1.5006176139454341
Energy: 1.4766682814993952
Energy: 1.5006176139454341
Energy: 1.4960376125181998
Energy: 1.5006176139454341
Energy: 1.4796770376685517
Energy: 1.6341182895026134
Energy: 1.495932970517492
Energy: 1.6341182895026134
Energy: 1.4796770376685517
Energy: 1.6341182895026134
Energy: 1.4805251122666148
Energy: 1.7118091486732765
Energy: 1.4771081603509462
Energy: 1.7118091486732765
Energy: 1.4805251122677308
Energy: 1.7118091486732765
Energy: 1.4981812740059355
Energy: 1.498425928658665
Energy: 1.493960118290858
Energy: 1.498425928658665
Energy: 1.4981812740059355
Energy: 1.498425928658665
Energy: 1.479901308519621
Energy: 1.648438114705804
Energy: 1.47662561105
Energy: 1.648438114705804
Energy: 1.479901308519621
Energy: 1.648438114705804
Energy: 1.479098641887566
Energy: 1.5949201028705093
Energy: 1.4766472093043785
Energy: 1.5949201028705093
Energy: 1.479098641887566
Energy: 1.5949201028705093
Energy: 1.5946943688350574
Energy: 1.6214735868338828
Energy: 1.5661752229258845
Energy: 1.6214735868338828
Energy: 1.5946943688350574
Energy: 1.6214735868338828
Energy: 1.478082467012218
Energy: 1.6718790939984005
Energy: 1.5211788421292975
Energy: 1.6718790939984005
Energy: 1.478082467012218
Energy: 1.6718790939984005
Energy: 1.4782364166587492
Energy: 1.6720331564527247
Energy: 1.523310227577493
Energy: 1.6720331564527247
Energy: 1.4782364166587492
Energy: 1.6720331564527247
Energy: 1.5944691610660038
Energy: 1.6215199894203047
Energy: 1.5663389091142372
Energy: 1.6215199894203047
Energy: 1.5944691610660038
Energy: 1.6215199894203047
Energy: 1.4784424611400009
Energy: 1.5949379418050154
Energy: 1.4765204854219651
Energy: 1.5949379418050154
Energy: 1.4784424611400009
Energy: 1.5949379418050154
Energy: 1.4799063770160974
Energy: 1.6482250464440173
Energy: 1.4766427629231647
Energy: 1.6482250464440173
Energy: 1.4799063770160974
Energy: 1.6482250464440173
Energy: 1.4981285794037473
Energy: 1.4982819104525351
Energy: 1.4939474975269393
Energy: 1.4982819104525351
Energy: 1.4981285794037473
Energy: 1.4982819104536513
Energy: 1.4766685103569759
Energy: 1.7118091486743925
Energy: 1.47699297400284
Energy: 1.7118091486732765
Energy: 1.4766685103569759
Energy: 1.7118091486732765
Energy: 1.4796770323214379
Energy: 1.6341091893178352
Energy: 1.5120392736127626
Energy: 1.6341091893189512
Energy: 1.4796770323214379
Energy: 1.6341091893178352
Energy: 1.4959994664319551
Energy: 1.5006295359698651
Energy: 1.4766796391110437
Energy: 1.5006295359698651
Energy: 1.4959994664319551
Energy: 1.5006295359698651
Energy: 1.4766146173846046
Energy: 1.663691439556476
Energy: 1.4769222289997546
Energy: 1.663691439556476
Energy: 1.4766146173834884
Energy: 1.663691439556476
Energy: 1.6421238689344462
Energy: 1.795365716474131
Energy: 1.6098107348562785
Energy: 1.795365716474131
Energy: 1.6421238689344462
Energy: 1.795365716474131
Energy: 1.4766098802799177
Energy: 1.6634600505658248
Energy: 1.4765640288048891
Energy: 1.6634600505669408
Energy: 1.4766098802799177
Energy: 1.6634600505669408
Energy: 1.4960376125181998
Energy: 1.5006176139454341
Energy: 1.4766682814993952
Energy: 1.5006176139454341
Energy: 1.4960376125181998
Energy: 1.5006176139454341
Energy: 1.4796770376685517
Energy: 1.6341182895026134
Energy: 1.495932970517492
Energy: 1.6341182895026134
Energy: 1.4796770376685517
Energy: 1.6341182895026134
Energy: 1.4805251122666148
Energy: 1.7118091486732765
Energy: 1.4771081603509462
Energy: 1.7118091486732765
Energy: 1.4805251122666148
Energy: 1.7118091486743925
Energy: 1.4981812740059355
Energy: 1.498425928658665
Energy: 1.493960118290858
Energy: 1.498425928658665
Energy: 1.4981812740059355
Energy: 1.498425928659781

minimum gb energy = 1.4765204854219651 eV
minimum distance =  2.2670149526228 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.6407639901681146
Energy: 1.4742598575978834
Energy: 1.5702341568467368
Energy: 1.4742598575969201
Energy: 1.6407639901681146
Energy: 1.4742598575969201
Energy: 1.429069228844488
Energy: 1.585790503870559
Energy: 1.4316513827345048
Energy: 1.585790503872486
Energy: 1.429069228844488
Energy: 1.585790503872486
Energy: 1.449871942614639
Energy: 1.6101924746364136
Energy: 1.4316422832475528
Energy: 1.6101924746364136
Energy: 1.449871942614639
Energy: 1.6101924746364136
Energy: 1.428997818023663
Energy: 1.646127501305191
Energy: 1.450861174546738
Energy: 1.6461275013032641
Energy: 1.428997818023663
Energy: 1.6461275013032641
Energy: 1.4289824156909587
Energy: 1.570627072332216
Energy: 1.446819028083812
Energy: 1.5706270723293259
Energy: 1.4289824156909587
Energy: 1.5706270723293259
Energy: 1.4519934361771882
Energy: 1.5769314765177416
Energy: 1.4466628172015061
Energy: 1.5769314765167781
Energy: 1.4519934361771882
Energy: 1.5769314765167781
Energy: 1.4290624036435382
Energy: 1.6501718138037087
Energy: 1.4465164726061919
Energy: 1.6501718138046721
Energy: 1.429062403642575
Energy: 1.6501718138046721
Energy: 1.4292331682995645
Energy: 1.5765286299535186
Energy: 1.447172806604588
Energy: 1.5765286299515922
Energy: 1.4292331682995645
Energy: 1.5765286299515922
Energy: 1.428950675453566
Energy: 1.6251003898111585
Energy: 1.521812977855702
Energy: 1.6251003898101948
Energy: 1.428950675453566
Energy: 1.6251003898101948
Energy: 1.4289978732862156
Energy: 1.5325754312944104
Energy: 1.4314856660279818
Energy: 1.5325754312944104
Energy: 1.4289978732862156
Energy: 1.5325754312944104
Energy: 1.4290576855715813
Energy: 1.609770142284045
Energy: 1.4314196663360486
Energy: 1.609770142284045
Energy: 1.4290576855715813
Energy: 1.6097701422830815
Energy: 1.4690624998674289
Energy: 1.6481069258499976
Energy: 1.4314755294179784
Energy: 1.648106925850961
Energy: 1.4690624998674289
Energy: 1.648106925850961
Energy: 1.468983970133789
Energy: 1.43181883615673
Energy: 1.4328217666204917
Energy: 1.4318188361557664
Energy: 1.468983970133789
Energy: 1.4318188361557664
Energy: 1.451461356644225
Energy: 1.6096009614109055
Energy: 1.4906194727954303
Energy: 1.6096009614109055
Energy: 1.451461356644225
Energy: 1.6096009614109055
Energy: 1.4291328260344058
Energy: 1.6246858306146692
Energy: 1.433001129843248
Energy: 1.6246858306146692
Energy: 1.4291328260344058
Energy: 1.6246858306146692
Energy: 1.4293403297846168
Energy: 1.5761061981204683
Energy: 1.4341175796326489
Energy: 1.5761061981204683
Energy: 1.4293403297846168
Energy: 1.5761061981204683
Energy: 1.4486100641773074
Energy: 1.575869463876229
Energy: 1.433339209718449
Energy: 1.575869463876229
Energy: 1.4486100641773074
Energy: 1.575869463876229
Energy: 1.4314789951456006
Energy: 1.5209596426024143
Energy: 1.4314877041064769
Energy: 1.5209596426014511
Energy: 1.4314789951456006
Energy: 1.5209596426024143
Energy: 1.448539689236322
Energy: 1.575854118192749
Energy: 1.43335592040628
Energy: 1.575854118194676
Energy: 1.448539689236322
Energy: 1.575854118194676
Energy: 1.4293651364366484
Energy: 1.5761151655712533
Energy: 1.4341347365713462
Energy: 1.5761151655722165
Energy: 1.4293651364366484
Energy: 1.5761151655712533
Energy: 1.4291303256849264
Energy: 1.6247732421044745
Energy: 1.433003531006739
Energy: 1.6247732421054382
Energy: 1.4291303256849264
Energy: 1.6247732421054382
Energy: 1.4515298008530109
Energy: 1.6095970474910846
Energy: 1.4906434673998694
Energy: 1.6095970474910846
Energy: 1.4515298008530109
Energy: 1.6095970474910846
Energy: 1.4690453974941045
Energy: 1.431811829446509
Energy: 1.4328234866198384
Energy: 1.4318118294445823
Energy: 1.4690453974941045
Energy: 1.4318118294445823
Energy: 1.4695097132081527
Energy: 1.6481067509833591
Energy: 1.4315443263009757
Energy: 1.6481067509814542
Energy: 1.4695097132081527
Energy: 1.6481067509814542
Energy: 1.429000538509493
Energy: 1.6098039525930279
Energy: 1.45345078083092
Energy: 1.6098039525930279
Energy: 1.429000538509493
Energy: 1.6098039525930279
Energy: 1.4289546959936232
Energy: 1.5327149161697995
Energy: 1.4314092755242873
Energy: 1.5327149161697995
Energy: 1.4289546959936232
Energy: 1.5327149161697995
Energy: 1.4289643020919984
Energy: 1.6259797726167726
Energy: 1.476390566149827
Energy: 1.6259797726158094
Energy: 1.4289643020919984
Energy: 1.6259797726158094
Energy: 1.4292186543036698
Energy: 1.5765345126942922
Energy: 1.4471600027365454
Energy: 1.5765345126942922
Energy: 1.4292186543036698
Energy: 1.5765345126942922
Energy: 1.428967467909997
Energy: 1.6501718138037087
Energy: 1.4465300514191666
Energy: 1.6501718138046721
Energy: 1.428967467909997
Energy: 1.6501718138046721

minimum gb energy = 1.428950675453566 eV
minimum distance =  2.23493769410298 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.5444785382984454
Energy: 1.4591640976673994
Energy: 1.5515454390843342
Energy: 1.4591640976682463
Energy: 1.5444785382984454
Energy: 1.4591640976682463
Energy: 1.3958386694055969
Energy: 1.3783037281584565
Energy: 1.4019918269021643
Energy: 1.3783037281593034
Energy: 1.3958386694055969
Energy: 1.3783037281584565
Energy: 1.379081276101117
Energy: 1.5184339027605152
Energy: 1.401580375066273
Energy: 1.518433902761362
Energy: 1.379081276101117
Energy: 1.5184339027605152
Energy: 1.377630534766975
Energy: 1.381407326938649
Energy: 1.3788467232520163
Energy: 1.5498527314831663
Energy: 1.377630534766975
Energy: 1.3795176377778493
Energy: 1.3675712457718547
Energy: 1.465116671579131
Energy: 1.379272511289207
Energy: 1.465116671579131
Energy: 1.3675712457718547
Energy: 1.465116671579131
Energy: 1.3796233888113627
Energy: 1.578673141918013
Energy: 1.3674427028223226
Energy: 1.5786731419188598
Energy: 1.3796233888122096
Energy: 1.5786731419188598
Energy: 1.3818546910792975
Energy: 1.616167218928527
Energy: 1.3679757157767283
Energy: 1.6161672189276803
Energy: 1.3818546910792975
Energy: 1.6161672189276803
Energy: 1.3790814842029684
Energy: 1.5655153961614818
Energy: 1.378634128049119
Energy: 1.5941935415518071
Energy: 1.379081484203815
Energy: 1.5655153961614818
Energy: 1.3676339884834037
Energy: 1.578986479515009
Energy: 1.3798147738058082
Energy: 1.578986479515009
Energy: 1.3676339884834037
Energy: 1.578986479515009
Energy: 1.367619014631331
Energy: 1.5633197714726483
Energy: 1.3697003635117078
Energy: 1.5633197714734952
Energy: 1.367619014631331
Energy: 1.5633197714734952
Energy: 1.418749465080614
Energy: 1.5506965798264483
Energy: 1.434657707918655
Energy: 1.5506965798256014
Energy: 1.418749465079806
Energy: 1.5506965798264483
Energy: 1.4019047335691779
Energy: 1.3828888767598853
Energy: 1.369395468786258
Energy: 1.3828888767598853
Energy: 1.4019047335700248
Energy: 1.3828888767598853
Energy: 1.4017371611901825
Energy: 1.5189799873202763
Energy: 1.372047901209558
Energy: 1.5189799873202763
Energy: 1.4017371611901825
Energy: 1.518979987321123
Energy: 1.3783263688795782
Energy: 1.4056488949041708
Energy: 1.393570506319505
Energy: 1.3898317378360094
Energy: 1.3783263688795782
Energy: 1.3849895934894003
Energy: 1.3671558102497197
Energy: 1.4849763537410667
Energy: 1.3932538104880736
Energy: 1.4849763537410667
Energy: 1.3671558102497197
Energy: 1.4849763537402199
Energy: 1.4017830970844716
Energy: 1.5184764202074534
Energy: 1.3785543957145443
Energy: 1.5184764202074534
Energy: 1.4017830970844716
Energy: 1.5184764202074534
Energy: 1.3676440999682984
Energy: 1.3793188565398413
Energy: 1.367213919293982
Energy: 1.3793188565398413
Energy: 1.3676440999682984
Energy: 1.3793188565398413
Energy: 1.3789180086569348
Energy: 1.524540959712235
Energy: 1.367482068013695
Energy: 1.524540959712235
Energy: 1.3789180086569348
Energy: 1.524540959712235
Energy: 1.3820166967495413
Energy: 1.5639577801020732
Energy: 1.3794943816069525
Energy: 1.5639577801012263
Energy: 1.3820166967495413
Energy: 1.5639577801020732
Energy: 1.3697733972201194
Energy: 1.6160524475982736
Energy: 1.3676495002517326
Energy: 1.6160524475974267
Energy: 1.3697733972192725
Energy: 1.6160524475974267
Energy: 1.395402300937518
Energy: 1.5245387090593374
Energy: 1.3789903219912787
Energy: 1.5245387090593374
Energy: 1.395402300937518
Energy: 1.5245387090593374
Energy: 1.368179019375697
Energy: 1.5777698622023208
Energy: 1.3676233972127994
Energy: 1.577769862203168
Energy: 1.368179019375697
Energy: 1.577769862203168
Energy: 1.3778584951033837
Energy: 1.5631363352470213
Energy: 1.3678317546377
Energy: 1.5631363352470213
Energy: 1.3778584951033837
Energy: 1.5631363352470213
Energy: 1.36874436999685
Energy: 1.524873363439191
Energy: 1.4296457410614858
Energy: 1.476839819920194
Energy: 1.36874436999685
Energy: 1.524873363439191
Energy: 1.3675138232320398
Energy: 1.4637413522852136
Energy: 1.367095017423709
Energy: 1.4637413522852136
Energy: 1.3675138232320398
Energy: 1.4637413522852136
Energy: 1.3675427351190086
Energy: 1.3679918098292794
Energy: 1.4018062730090517
Energy: 1.3679918098284323
Energy: 1.3675427351190086
Energy: 1.3679918098284323
Energy: 1.3934490549201415
Energy: 1.3675448955063105
Energy: 1.367378640987154
Energy: 1.3675448955063105
Energy: 1.3934490549209886
Energy: 1.3675448955063105
Energy: 1.3933182086277724
Energy: 1.367464456455272
Energy: 1.369938021686895
Energy: 1.367464456455272
Energy: 1.3933182086286193
Energy: 1.367464456455272
Energy: 1.4395930066782303
Energy: 1.3685039045981031
Energy: 1.4579860212049318
Energy: 1.36850390459895
Energy: 1.4395930066782303
Energy: 1.3685039045981031
Energy: 1.3679136168167816
Energy: 1.3736538718011977
Energy: 1.3698550944302146
Energy: 1.3736538718020446
Energy: 1.3679136168167816
Energy: 1.3736538718020446
Energy: 1.367431663642874
Energy: 1.5246644139944172
Energy: 1.3786360164063407
Energy: 1.524664413995264
Energy: 1.367431663643721
Energy: 1.524664413995264
Energy: 1.367751960515739
Energy: 1.562781847197496
Energy: 1.3675392390216154
Energy: 1.562781847197496
Energy: 1.367751960515739
Energy: 1.562781847197496
Energy: 1.3676278438173093
Energy: 1.5743077530416663
Energy: 1.3777050939897302
Energy: 1.5743077530408192
Energy: 1.3676278438173093
Energy: 1.5743077530408192

minimum gb energy = 1.367095017423709 eV
minimum distance =  2.2434227832883 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01485665508896114
Energy: 0.01606132071884596
Energy: 1.3167908728592757
Energy: 0.01606132071884596
Energy: 0.01485665508896114
Energy: 0.01606132071884596
Energy: 0.014991467616904279
Energy: 0.8071176268437467
Energy: 0.014991467617568834
Energy: 0.8071176268437467
Energy: 0.014991467617568834
Energy: 0.8071176268437467
Energy: 1.514214800656365
Energy: 0.01606132071884596
Energy: 0.01485665508896114
Energy: 0.01606132071884596
Energy: 1.5142148006577332
Energy: 0.01606132071884596
Energy: 0.014991467616904279
Energy: 0.8071176268437467
Energy: 0.014991467616904279
Energy: 0.8071176268437467
Energy: 0.014991467617568834
Energy: 0.8071176268437467

minimum gb energy = 0.01485665508896114 eV
minimum distance =  2.47197822644777 Angstroms
sigma value = 1