Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999980926514
cohesive_energy=4.450349977697172
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.0 eV

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

Energy: 0.022238072369713452
Energy: 0.668848359105696
Energy: 0.4047827068643377
Energy: 0.6688421582816099
Energy: 0.022238072369713452
Energy: 0.6688483591083366
Energy: 0.7305394803930358
Energy: 0.7299701340621653
Energy: 0.02269582651049195
Energy: 0.35169272424493037
Energy: 0.022805846487129855
Energy: 0.7299701340621653
Energy: 0.02269582651049195
Energy: 0.35169272424493037
Energy: 0.022238072369713452
Energy: 0.668848359105696
Energy: 0.4047827068616971
Energy: 0.6688421582816099
Energy: 0.022238072369713452
Energy: 0.668848359105696
Energy: 0.7305394803956766
Energy: 0.7299701340621653
Energy: 0.02269582651049195
Energy: 0.35169272424493037
Energy: 0.022805846487129855
Energy: 0.7299701340621653
Energy: 0.02269582651049195
Energy: 0.35169272424493037
Energy: 0.022238072369713452
Energy: 0.668848359105696
Energy: 0.4047827068616971
Energy: 0.6688421582816099
Energy: 0.022238072369713452
Energy: 0.668848359105696
Energy: 0.7305394803956766
Energy: 0.7299701340621653
Energy: 0.02269582651049195
Energy: 0.35169272424493037
Energy: 0.02280584648448919
Energy: 0.7299701340621653
Energy: 0.02269582651049195
Energy: 0.35169272424493037

minimum gb energy = 0.022238072369713452 eV
minimum distance =  2.46966892979954 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.6191091208625754
Energy: 1.5917989946362572
Energy: 1.6082834306217797
Energy: 1.589590387424761
Energy: 1.6191091208625754
Energy: 1.5917989946362572
Energy: 1.6778715954758139
Energy: 1.494251895810272
Energy: 1.5353192400094895
Energy: 1.5838931125888889
Energy: 1.5284001459830363
Energy: 1.494251895810272
Energy: 1.5353192400094895
Energy: 1.5838931125888889
Energy: 1.4938867095296848
Energy: 1.4925785661216147
Energy: 1.6175249574577135
Energy: 1.53886853225734
Energy: 1.4938867095296848
Energy: 1.4925785661216147
Energy: 1.6175249574577135
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Energy: 1.5427763125703235
Energy: 1.631700230048298
Energy: 1.5218484083443804
Energy: 1.5966342887654354
Energy: 1.5427763125703235
Energy: 1.631700230048298
Energy: 1.5060678186942065
Energy: 1.4795269865364489
Energy: 1.6257564706529957
Energy: 1.4788875606057523
Energy: 1.5060678186974323
Energy: 1.4795269865364489
Energy: 1.6257564706529957
Energy: 1.5478573615012359
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Energy: 1.5339270169880146
Energy: 1.5352476744865586
Energy: 1.5478573615012359
Energy: 1.5278653525512196
Energy: 1.5339270169880146
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Energy: 1.6281328548799883
Energy: 1.5526384325451557
Energy: 1.4914576841423433
Energy: 1.5595089993748177
Energy: 1.6281328548799883
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Energy: 1.4929551049957523
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Energy: 1.4984507956468014
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Energy: 1.5788319678312315
Energy: 1.6213189091312765
Energy: 1.5264386016826852
Energy: 1.6295663952868213
Energy: 1.5788319678280054
Energy: 1.6213189091312765
Energy: 1.4897500784418098
Energy: 1.562524616049167
Energy: 1.6102543931274238
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Energy: 1.562524616049167
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Energy: 1.5012198346145547
Energy: 1.63196667691879
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Energy: 1.5688086879833725
Energy: 1.614376765344969
Energy: 1.6411416981700218
Energy: 1.5666893835391325
Energy: 1.5688086879865986
Energy: 1.614376765344969
Energy: 1.4951019055188566
Energy: 1.5121757074000197
Energy: 1.537232360871982
Energy: 1.5271205501749792
Energy: 1.4951019055188566
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Energy: 1.5372323608687561
Energy: 1.4909770089786378
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Energy: 1.6245597670865162
Energy: 1.523352058133941
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Energy: 1.6200949128583964
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Energy: 1.5415761571739595
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Energy: 1.668543350532474
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Energy: 1.4923067489341195
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Energy: 1.5013460526106837
Energy: 1.504659687885899
Energy: 1.578364838927447
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Energy: 1.5783648389242209
Energy: 1.5086651509034517
Energy: 1.5071230907005042
Energy: 1.5562815673654706
Energy: 1.5888625128889153
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Energy: 1.5071230907005042
Energy: 1.5562815673654706
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Energy: 1.485583486717794
Energy: 1.6049729935859816
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Energy: 1.485583486717794
Energy: 1.607578102713415
Energy: 1.5612077082065843
Energy: 1.5789620945577656
Energy: 1.6345795266313619
Energy: 1.636402528655054
Energy: 1.5612077082065843
Energy: 1.5789620945577656
Energy: 1.6345795266313619
Energy: 1.5545160411898737
Energy: 1.527111029264451
Energy: 1.6696915868386593
Energy: 1.487728845759967
Energy: 1.5545160411898737
Energy: 1.527111029264451
Energy: 1.6696915868386593
Energy: 1.4875346396711417
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Energy: 1.6581539491451214
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Energy: 1.5598089643083748
Energy: 1.5882988821741753
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Energy: 1.5591955279473546
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Energy: 1.6234681870629144
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Energy: 1.515984426633364
Energy: 1.5468931837335909
Energy: 1.6699001180193112
Energy: 1.5233292270828898
Energy: 1.4943546846592897
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Energy: 1.5396646651508101
Energy: 1.5233292270828898
Energy: 1.4943546846592897
Energy: 1.6637027388541938
Energy: 1.4855145886960035
Energy: 1.496795614281378
Energy: 1.614793105708836
Energy: 1.547352692920976
Energy: 1.4855145886927772
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Energy: 1.614793105708836
Energy: 1.506605232265536
Energy: 1.5078528706383496
Energy: 1.651347434132673
Energy: 1.5119955222302381
Energy: 1.506605232265536
Energy: 1.5078528706383496
Energy: 1.651347434132673
Energy: 1.475245751991426
Energy: 1.5217681070147473
Energy: 1.6267104132175063
Energy: 1.5014506214484635
Energy: 1.475245751991426
Energy: 1.5217681070179732
Energy: 1.6267104132175063
Energy: 1.488982014206691
Energy: 1.4934348331303844
Energy: 1.600764846616179
Energy: 1.5453248004572624
Energy: 1.488982014206691
Energy: 1.4934348331303844
Energy: 1.600764846616179
Energy: 1.5383731752137466
Energy: 1.5551221428465027
Energy: 1.6367013452342303
Energy: 1.5421975127211747
Energy: 1.5383731752137466
Energy: 1.5551221428465027
Energy: 1.6367013452342303
Energy: 1.5614279155805266
Energy: 1.5542646805191787
Energy: 1.584768928862135
Energy: 1.5433442867408778
Energy: 1.5614279155805266
Energy: 1.5542646805191787
Energy: 1.584768928865361
Energy: 1.5558334116092447
Energy: 1.5032889006961945
Energy: 1.581100962409052
Energy: 1.5558256106234054
Energy: 1.5558334116124708
Energy: 1.5032889006994203
Energy: 1.581100962409052
Energy: 1.5613902069646493
Energy: 1.4971022727654706
Energy: 1.6095062316010345
Energy: 1.5114276642597502
Energy: 1.5613902069646493
Energy: 1.4971022727654706
Energy: 1.6095062316010345
Energy: 1.6294394128931713
Energy: 1.5429991986375753
Energy: 1.647198984021165
Energy: 1.5788675907900669
Energy: 1.6294394128899454
Energy: 1.5429991986375753
Energy: 1.647198984021165
Energy: 1.55183526859933
Energy: 1.5581096450401857
Energy: 1.6110913806202962
Energy: 1.4935982060503419
Energy: 1.55183526859933
Energy: 1.5581096450401857
Energy: 1.6110913806202962
Energy: 1.475296880035448
Energy: 1.5107102878008887
Energy: 1.639065630151151
Energy: 1.5165490409700737
Energy: 1.475296880035448
Energy: 1.5107102878008887
Energy: 1.639065630151151
Energy: 1.5067496323698113
Energy: 1.5735908388406206
Energy: 1.6869027625377246
Energy: 1.553485736760403
Energy: 1.5067496323698113
Energy: 1.5735908388406206
Energy: 1.6869027625377246
Energy: 1.4746942337788653
Energy: 1.5354810019733491
Energy: 1.5924446589481447
Energy: 1.5036195873128602
Energy: 1.4746942337788653
Energy: 1.5354810019733491
Energy: 1.5924446589481447

minimum gb energy = 1.4746942337788653 eV
minimum distance =  2.15094061103664 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.5696109516388836
Energy: 1.5572742794898682
Energy: 1.6860865190309873
Energy: 1.5823781142897129
Energy: 1.5696109516388836
Energy: 1.5572742794898682
Energy: 1.6860865190309873
Energy: 1.4936692875230446
Energy: 1.5165424011902653
Energy: 1.5897771560278153
Energy: 1.5378619745854316
Energy: 1.4936692875230446
Energy: 1.5165424011939272
Energy: 1.5897771560278153
Energy: 1.4785919060390191
Energy: 1.5483047351743549
Energy: 1.6415837083640599
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Energy: 1.4785919060390191
Energy: 1.5483047351743549
Energy: 1.6415837083640599
Energy: 1.5382371036924063
Energy: 1.5552471246162658
Energy: 1.6373511471495816
Energy: 1.5094184951231482
Energy: 1.5382371036924063
Energy: 1.5552471246162658
Energy: 1.6373511471495816
Energy: 1.538705346665377
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Energy: 1.5121018508293753
Energy: 1.538705346665377
Energy: 1.551902398223147
Energy: 1.5634225774027202
Energy: 1.4775162439794367
Energy: 1.5171989013385052
Energy: 1.5574425634461386
Energy: 1.5588747431528218
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Energy: 1.5171989013385052
Energy: 1.5574425634461386
Energy: 1.466995846797638
Energy: 1.5342336010963673
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Energy: 1.5144565142989408
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Energy: 1.5342336010963673
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Energy: 1.4669506719932546
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Energy: 1.6346025974368241
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Energy: 1.4669506719932546
Energy: 1.5109993290237096
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Energy: 1.6495311701192827
Energy: 1.5062799043529604
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Energy: 1.6413140570323208
Energy: 1.5831367390696907
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Energy: 1.7133580445554748
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Energy: 1.5897771560278153
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Energy: 1.5165424011939272
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Energy: 1.5382371036924063
Energy: 1.5461369255331816
Energy: 1.6373511471495816
Energy: 1.5094184951231482
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Energy: 1.5109993290200472
Energy: 1.6346025974368241
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Energy: 1.4669506719932546
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Energy: 1.4783380815294809
Energy: 1.5115808478358481
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Energy: 1.5385750428231368
Energy: 1.548246912525077
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Energy: 1.5024675512169314
Energy: 1.5390117985822098
Energy: 1.552931518499754
Energy: 1.5581183996134342
Energy: 1.5493142735169378
Energy: 1.5390117985822098
Energy: 1.552931518499754
Energy: 1.5581183996170962
Energy: 1.478210466713519
Energy: 1.5274026989385345
Energy: 1.6261579026868778
Energy: 1.5374691101218734
Energy: 1.478210466713519
Energy: 1.5274026989385345
Energy: 1.6261579026868778
Energy: 1.493140098662453
Energy: 1.5257963782185417
Energy: 1.6520965741105078
Energy: 1.5831367390696907
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Energy: 1.5257963782185417
Energy: 1.6520965741105078
Energy: 1.5696109516388836
Energy: 1.5572742794862064
Energy: 1.7133580445554748
Energy: 1.5823781142897129
Energy: 1.5696109516388836
Energy: 1.5572742794862064
Energy: 1.7133580445518124
Energy: 1.4936692875230446
Energy: 1.5165424011939272
Energy: 1.5897771560278153
Energy: 1.5378619745854316
Energy: 1.4936692875230446
Energy: 1.5165424011939272
Energy: 1.5897771560278153
Energy: 1.4785919060390191
Energy: 1.5483047351743549
Energy: 1.6415837083676552
Energy: 1.5305148393754273
Energy: 1.4785919060390191
Energy: 1.5483047351743549
Energy: 1.6415837083676552
Energy: 1.5382371036887443
Energy: 1.5552471246162658
Energy: 1.6373511471495816
Energy: 1.5094184951231482
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Energy: 1.6373511471495816
Energy: 1.538705346665377
Energy: 1.551902398223147
Energy: 1.5634225774027202
Energy: 1.5121018508293753
Energy: 1.538705346665377
Energy: 1.551902398223147
Energy: 1.5634225774027202
Energy: 1.4775162439794367
Energy: 1.5171989013385052
Energy: 1.5574425634461386
Energy: 1.5588747431528218
Energy: 1.4775162439794367
Energy: 1.5171989013385052
Energy: 1.5574425634461386
Energy: 1.466995846797638
Energy: 1.5342336010963673
Energy: 1.569525622987728
Energy: 1.514456514295279
Energy: 1.466995846797638
Energy: 1.5342336010963673
Energy: 1.569525622987728
Energy: 1.4669506719969165
Energy: 1.5109993290200472
Energy: 1.6346025974368241
Energy: 1.5481254759362433
Energy: 1.4669506719932546
Energy: 1.5109993290200472
Energy: 1.6346025974368241
Energy: 1.4783380815258191
Energy: 1.5115808478321862
Energy: 1.5169162409619543
Energy: 1.5487513971784646
Energy: 1.4783380815258191
Energy: 1.5115808478358481
Energy: 1.5169162409619543
Energy: 1.5385750428231368
Energy: 1.548246912525077
Energy: 1.4909419130729777
Energy: 1.5493386925160615
Energy: 1.5385750428231368
Energy: 1.548246912525077
Energy: 1.4909419130729777
Energy: 1.5390117985822098
Energy: 1.5638246334745993
Energy: 1.5581183996170962
Energy: 1.5493142735169378
Energy: 1.5390117985822098
Energy: 1.5638246334745993
Energy: 1.5581183996134342
Energy: 1.4779214497940014
Energy: 1.5274026989385345
Energy: 1.6043596036289869
Energy: 1.5374691101182114
Energy: 1.4779214497940014
Energy: 1.5274026989385345
Energy: 1.6043596036289869
Energy: 1.5062799043529604
Energy: 1.5257963782222037
Energy: 1.6520965741105078
Energy: 1.5831367390696907
Energy: 1.5062799043529604
Energy: 1.5257963782222037
Energy: 1.6520965741105078
Energy: 1.5273131564644946
Energy: 1.5572742794898682
Energy: 1.7133580445554748
Energy: 1.5823781142897129
Energy: 1.5273131564644946
Energy: 1.5572742794898682
Energy: 1.7133580445554748
Energy: 1.4936692875230446
Energy: 1.5165424011939272
Energy: 1.5897771560278153
Energy: 1.5233077941770652
Energy: 1.4936692875230446
Energy: 1.5165424011939272
Energy: 1.5897771560278153

minimum gb energy = 1.4669506719932546 eV
minimum distance =  2.2149760028637 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6151441021308295
Energy: 1.5478527571645537
Energy: 1.6604427124936125
Energy: 1.548676643295907
Energy: 1.6151441021308295
Energy: 1.5478527571645537
Energy: 1.6361234520953412
Energy: 1.5841583587223091
Energy: 1.543629605831863
Energy: 1.6807503927998084
Energy: 1.6013367594215409
Energy: 1.5841583587218862
Energy: 1.543629605831863
Energy: 1.6807503928002314
Energy: 1.5729334345916242
Energy: 1.598836883274145
Energy: 1.7665917269858202
Energy: 1.5742513594056056
Energy: 1.5729334345916242
Energy: 1.598836883274145
Energy: 1.7665917269858202
Energy: 1.540859483403053
Energy: 1.5446546025992653
Energy: 1.710979681971961
Energy: 1.534569331755698
Energy: 1.5408594834026301
Energy: 1.5446546025988428
Energy: 1.710979681971961
Energy: 1.6094341348559187
Energy: 1.5610758406723972
Energy: 1.69836968307537
Energy: 1.5675424093131516
Energy: 1.609434134856342
Energy: 1.5610758406723972
Energy: 1.6520886946467845
Energy: 1.5717315033003219
Energy: 1.5232616470179585
Energy: 1.581633308106146
Energy: 1.5685978556505233
Energy: 1.5717315033003219
Energy: 1.5232616470183813
Energy: 1.5816333081065688
Energy: 1.5692752404686987
Energy: 1.6495579981633646
Energy: 1.656554677470852
Energy: 1.5689252573092305
Energy: 1.569275240468276
Energy: 1.6495579981633646
Energy: 1.65634223827701
Energy: 1.5958821057405062
Energy: 1.5582714063625325
Energy: 1.7652318929773192
Energy: 1.580952729430278
Energy: 1.5958821057400834
Energy: 1.5582714063625325
Energy: 1.7652318929773192
Energy: 1.5910978158524167
Energy: 1.5407832316324879
Energy: 1.6910794798173023
Energy: 1.563292536031232
Energy: 1.5910978158528395
Energy: 1.5407832316324879
Energy: 1.6766380136350043
Energy: 1.582020169719823
Energy: 1.591846586847236
Energy: 1.6714369664622206
Energy: 1.608857741218634
Energy: 1.582020169720246
Energy: 1.591846586847236
Energy: 1.6714369664622206
Energy: 1.658760292376191
Energy: 1.586111210851347
Energy: 1.6692550088201397
Energy: 1.5210790196156636
Energy: 1.6587602923757678
Energy: 1.586111210851347
Energy: 1.6692550088205624
Energy: 1.606415668452538
Energy: 1.58293768869518
Energy: 1.65258879061936
Energy: 1.5874477327914178
Energy: 1.606415668452538
Energy: 1.5829376886947568
Energy: 1.6525887906185144
Energy: 1.5787813596832492
Energy: 1.5321365007226422
Energy: 1.6950657832567995
Energy: 1.5431567736235658
Energy: 1.5787813596832492
Energy: 1.5321365007230647
Energy: 1.6950657832567995
Energy: 1.5451253535516754
Energy: 1.5762913819886912
Energy: 1.720703182028088
Energy: 1.5816996482378063
Energy: 1.5451253535516754
Energy: 1.576291381989114
Energy: 1.7207031820276648
Energy: 1.6129984474801924
Energy: 1.54317508320271
Energy: 1.6979992961503554
Energy: 1.538745415358926
Energy: 1.6129984474801924
Energy: 1.5431750832022872
Energy: 1.6979992961503554
Energy: 1.6065513122817803
Energy: 1.5780640389496192
Energy: 1.6747058373638293
Energy: 1.57815181995624
Energy: 1.6065513122817803
Energy: 1.578064038950042
Energy: 1.6747058373634063
Energy: 1.6239221092551175
Energy: 1.5211946281154247
Energy: 1.6649337702101277
Energy: 1.5817715114732518
Energy: 1.6239221092546945
Energy: 1.5211946281150017
Energy: 1.6649337702105502
Energy: 1.5735297216417827
Energy: 1.6652401896084188
Energy: 1.6076508574089512
Energy: 1.59175090392311
Energy: 1.5735297216417827
Energy: 1.6652401896079962
Energy: 1.6076508574089512
Energy: 1.5910514638312823
Energy: 1.5588114526323569
Energy: 1.6834363122296265
Energy: 1.5514832294386725
Energy: 1.5910514638308597
Energy: 1.55881145263278
Energy: 1.6834363122296265
Energy: 1.568299216469374
Energy: 1.5406983929084763
Energy: 1.6819631961818327
Energy: 1.557389318174804
Energy: 1.5682992164689513
Energy: 1.5406983929084763
Energy: 1.6819631961822556
Energy: 1.5715406536811312
Energy: 1.56885640144988
Energy: 1.6139598019039187
Energy: 1.6027244720004035
Energy: 1.5715406536811312
Energy: 1.5688564014503028
Energy: 1.6139598019047645
Energy: 1.5869285979694323
Energy: 1.5806331759877579
Energy: 1.6054907496221316
Energy: 1.5227445338985246
Energy: 1.5869285979694323
Energy: 1.5806331759881806
Energy: 1.6054907496225546
Energy: 1.6095466116046906
Energy: 1.5675802589159957
Energy: 1.5671798407120074
Energy: 1.560460587726306
Energy: 1.6095466116046906
Energy: 1.5675802589164183
Energy: 1.5671798407120074
Energy: 1.5407216796511982
Energy: 1.5343216361605434
Energy: 1.708967621193761
Energy: 1.5455001845332061
Energy: 1.5407216796516212
Energy: 1.5343216361605434
Energy: 1.708967621193761
Energy: 1.5732318656474076
Energy: 1.5689560214677185
Energy: 1.5929543877319539
Energy: 1.5837006262817244
Energy: 1.5732318656474076
Energy: 1.5689560214677185
Energy: 1.5929543877315309
Energy: 1.5633140101809206
Energy: 1.601563426639335
Energy: 1.682477288147007
Energy: 1.5605365852421826
Energy: 1.5633140101809206
Energy: 1.6015634266389123
Energy: 1.682477288147007
Energy: 1.615162298248125
Energy: 1.5583768355739016
Energy: 1.620448943721006
Energy: 1.5479489196086684
Energy: 1.615162298248548
Energy: 1.5583768355734784
Energy: 1.6204489437222742
Energy: 1.6128318470071996
Energy: 1.5327710341243161
Energy: 1.6807410279752846
Energy: 1.54557186038455
Energy: 1.6128318470071996
Energy: 1.5327710341243161
Energy: 1.6807410279752846
Energy: 1.577975150722546
Energy: 1.6023908930678672
Energy: 1.755328715538212
Energy: 1.5742784587240322
Energy: 1.577975150722546
Energy: 1.6023908930678672
Energy: 1.755328715538212
Energy: 1.540890924727073
Energy: 1.5607577209318177
Energy: 1.6902180203503596
Energy: 1.5213508806878462
Energy: 1.540890924727073
Energy: 1.5607577209318177
Energy: 1.6902180203503596
Energy: 1.601477087055031
Energy: 1.5608874465817228
Energy: 1.6238125488779531
Energy: 1.5675041603611795
Energy: 1.601477087055031
Energy: 1.5608874465817228
Energy: 1.6238125488779531
Energy: 1.5724825489908434
Energy: 1.5235510359981406
Energy: 1.666587113689468
Energy: 1.5182882266578337
Energy: 1.5724825489908434
Energy: 1.5235510359981406
Energy: 1.6665871136898909
Energy: 1.5865788268700922
Energy: 1.635797162983508
Energy: 1.6661859986700074
Energy: 1.5937943401488515
Energy: 1.5865788268700922
Energy: 1.6357971629830854
Energy: 1.6661859986704304
Energy: 1.569372877725371
Energy: 1.5505511407757508
Energy: 1.7625141876008776
Energy: 1.5405215853269454
Energy: 1.5693728777257936
Energy: 1.5505511407757508
Energy: 1.7625141876004549
Energy: 1.591493066768653
Energy: 1.5405046916043492
Energy: 1.69924367343379
Energy: 1.5494553980714367
Energy: 1.591493066768653
Energy: 1.540504691604772
Energy: 1.69924367343379
Energy: 1.5820342186501983
Energy: 1.5814492573707857
Energy: 1.6487499143024196
Energy: 1.6539232064088294
Energy: 1.5820342186501983
Energy: 1.5814492573707857
Energy: 1.6487499143015736

minimum gb energy = 1.5182882266578337 eV
minimum distance =  2.21612486733176 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.5610292374671006
Energy: 1.568866594118419
Energy: 1.6981564805608833
Energy: 1.56884912652067
Energy: 1.5610292374675996
Energy: 1.5688665941189182
Energy: 1.6544464676102648
Energy: 1.5423167712637151
Energy: 1.5971319328174685
Energy: 1.443902433490879
Energy: 1.596784686643241
Energy: 1.542316771264214
Energy: 1.5971319328184665
Energy: 1.4439024334923762
Energy: 1.5608604863596902
Energy: 1.4757623813272165
Energy: 1.594584943086088
Energy: 1.5248531850543305
Energy: 1.5608604863586921
Energy: 1.4757623813272165
Energy: 1.594584943085589
Energy: 1.5539151621092466
Energy: 1.5970530973476234
Energy: 1.443852338067557
Energy: 1.5093678652527223
Energy: 1.5539151621092466
Energy: 1.5970530973476234
Energy: 1.443852338069553
Energy: 1.6150345863478777
Energy: 1.5249331430976611
Energy: 1.6033853797825215
Energy: 1.5247328768475337
Energy: 1.6150345863478777
Energy: 1.5249331430976611
Energy: 1.6033853797815234
Energy: 1.5538892866871363
Energy: 1.5093183598861077
Energy: 1.7638678702816801
Energy: 1.529065965789499
Energy: 1.5538892866871363
Energy: 1.509318359888104
Energy: 1.763867870281181
Energy: 1.663261833040597
Energy: 1.5246581803196833
Energy: 1.562201532933835
Energy: 1.526660915078581
Energy: 1.6632618330400981
Energy: 1.5246581803196833
Energy: 1.5622015329333359
Energy: 1.553823540763563
Energy: 1.4698569979579783
Energy: 1.7565798567763333
Energy: 1.4698293294125055
Energy: 1.553823540763563
Energy: 1.4698569979579783
Energy: 1.7565798567758342
Energy: 1.6632343821560152
Energy: 1.5266612092798915
Energy: 1.587038969259673
Energy: 1.5246893642238906
Energy: 1.6632343821555162
Energy: 1.5266612092798915
Energy: 1.5565422484864155
Energy: 1.553883441089258
Energy: 1.529095212622229
Energy: 1.7636628814565665
Energy: 1.5112412855345052
Energy: 1.553883441089258
Energy: 1.529095212620732
Energy: 1.7636628814565665
Energy: 1.6149795558454716
Energy: 1.5247062611079885
Energy: 1.6968807280476215
Energy: 1.524931032014301
Energy: 1.6149795558454716
Energy: 1.5247062611079885
Energy: 1.71336862062911
Energy: 1.5539076510064405
Energy: 1.5094234460157243
Energy: 1.443834168791259
Energy: 1.5970518207883142
Energy: 1.5539076510059417
Energy: 1.5094234460172213
Energy: 1.4438341687967482
Energy: 1.560795759828728
Energy: 1.5249822134278532
Energy: 1.5583612003704375
Energy: 1.4757768635374122
Energy: 1.5607957598292272
Energy: 1.5249822134278532
Energy: 1.5288799109098448
Energy: 1.542336402709182
Energy: 1.5969915493815874
Energy: 1.4439561740083384
Energy: 1.5971245592579788
Energy: 1.542336402709182
Energy: 1.5969915493820865
Energy: 1.4439561740088371
Energy: 1.5610292374675996
Energy: 1.56886659411792
Energy: 1.654446467610764
Energy: 1.568849126522167
Energy: 1.5610292374675996
Energy: 1.568866594119417
Energy: 1.654446467610764
Energy: 1.542316771264214
Energy: 1.5971319328174685
Energy: 1.443902433490879
Energy: 1.596784686643241
Energy: 1.542316771264214
Energy: 1.5971319328179676
Energy: 1.4439024334928752
Energy: 1.5608604863596902
Energy: 1.4757623813272165
Energy: 1.594584943086088
Energy: 1.5248531850553286
Energy: 1.5608604863596902
Energy: 1.4757623813267178
Energy: 1.594584943086088
Energy: 1.5539151621092466
Energy: 1.5970530973481223
Energy: 1.4438523380650616
Energy: 1.509367865253221
Energy: 1.5539151621092466
Energy: 1.5970530973471242
Energy: 1.443852338069054
Energy: 1.6150345863478777
Energy: 1.5249331430976611
Energy: 1.6033853797810245
Energy: 1.5247328768475337
Energy: 1.6150345863473785
Energy: 1.5249331430971622
Energy: 1.6033853797805253
Energy: 1.5538892866871363
Energy: 1.5093183598866067
Energy: 1.763867870281181
Energy: 1.5290659657870038
Energy: 1.5538892866866372
Energy: 1.509318359884611
Energy: 1.763867870281181
Energy: 1.663261833040597
Energy: 1.5246581803201824
Energy: 1.5622015329333359
Energy: 1.526660915078581
Energy: 1.663261833040597
Energy: 1.5246581803201824
Energy: 1.5622015329333359
Energy: 1.553823540763563
Energy: 1.4698569979579783
Energy: 1.7565798567753352
Energy: 1.4698293294135039
Energy: 1.553823540763563
Energy: 1.4698569979579783
Energy: 1.7565798567758342
Energy: 1.6632343821555162
Energy: 1.5266612092803906
Energy: 1.517600532156626
Energy: 1.5246893642233916
Energy: 1.6632343821560152
Energy: 1.5266612092803906
Energy: 1.517600532156626
Energy: 1.553883441089258
Energy: 1.529095212622229
Energy: 1.7636628814565665
Energy: 1.5112412855350044
Energy: 1.553883441089258
Energy: 1.529095212622229
Energy: 1.7636628814565665
Energy: 1.6149795558454716
Energy: 1.5247062611084876
Energy: 1.5297192464813885
Energy: 1.524931032014301
Energy: 1.6149795558459707
Energy: 1.5247062611079885
Energy: 1.5297192464828855
Energy: 1.5539076510059417
Energy: 1.5094234460187184
Energy: 1.443834168791259
Energy: 1.597051820787815
Energy: 1.5539076510059417
Energy: 1.5094234460167224
Energy: 1.4438341687917577
Energy: 1.560795759828728
Energy: 1.5249822134283522
Energy: 1.5288799109143363
Energy: 1.4757768635379114
Energy: 1.560795759828728
Energy: 1.5249822134283522
Energy: 1.5288799109073499
Energy: 1.542336402709182
Energy: 1.5969915493815874
Energy: 1.4439561740078388
Energy: 1.5971245592579788
Energy: 1.542336402709182
Energy: 1.5969915493810887
Energy: 1.4439561740093363
Energy: 1.5610292374666015
Energy: 1.56886659411792
Energy: 1.6544464676102648
Energy: 1.568849126521169
Energy: 1.5610292374675996
Energy: 1.568866594119417
Energy: 1.6544464676102648
Energy: 1.5423167712637151
Energy: 1.5971319328174685
Energy: 1.443902433489382
Energy: 1.596784686643241
Energy: 1.542316771264214
Energy: 1.5971319328174685
Energy: 1.443902433489382

minimum gb energy = 1.443834168791259 eV
minimum distance =  2.23243214706006 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.5573553910201816
Energy: 1.6171272482752532
Energy: 1.6381743426608626
Energy: 1.6171140694326458
Energy: 1.5573553910201816
Energy: 1.6171272482752532
Energy: 1.6005165327345436
Energy: 1.600817172627768
Energy: 1.5256906504452943
Energy: 1.6174260864521846
Energy: 1.5255498322256191
Energy: 1.600817172627768
Energy: 1.5256906504452943
Energy: 1.6174260864521846
Energy: 1.5575351817746454
Energy: 1.5128298514697984
Energy: 1.5496712977474312
Energy: 1.5249025061521555
Energy: 1.5575351817740393
Energy: 1.5128298514697984
Energy: 1.5496712977474312
Energy: 1.5946080678128272
Energy: 1.5258348002226496
Energy: 1.5376930924404637
Energy: 1.5247913564219235
Energy: 1.5946080678128272
Energy: 1.5258348002226496
Energy: 1.5376930924398575
Energy: 1.5087131502167008
Energy: 1.613147990906861
Energy: 1.5105395283816376
Energy: 1.5649892850379796
Energy: 1.5087131502173068
Energy: 1.613147990906861
Energy: 1.510539528381032
Energy: 1.5946032553943217
Energy: 1.5196544783347574
Energy: 1.5759169777891286
Energy: 1.5433606258116983
Energy: 1.5946032553943217
Energy: 1.5196544783347574
Energy: 1.5759169777891286
Energy: 1.5571028299770755
Energy: 1.6130300521236174
Energy: 1.5104575126758744
Energy: 1.5482761809281365
Energy: 1.5571028299770755
Energy: 1.6130300521230114
Energy: 1.5104575126752682
Energy: 1.5757941327121674
Energy: 1.517274628975739
Energy: 1.5757489099102266
Energy: 1.5426967310827635
Energy: 1.575794132712773
Energy: 1.5172746289775565
Energy: 1.5757489099102266
Energy: 1.556998123562615
Energy: 1.550064604038308
Energy: 1.560815430844972
Energy: 1.5647129386724443
Energy: 1.5569981235632204
Energy: 1.550064604038308
Energy: 1.560815430844972
Energy: 1.5676102645383234
Energy: 1.5194785209588788
Energy: 1.5141049832628684
Energy: 1.5418307543800513
Energy: 1.5676102645383234
Energy: 1.5194785209588788
Energy: 1.5141049832622624
Energy: 1.5580917747276108
Energy: 1.5844813774613826
Energy: 1.5544129966611675
Energy: 1.5367486778622181
Energy: 1.5580917747282166
Energy: 1.5844813774613826
Energy: 1.5544129966605618
Energy: 1.4700448498684835
Energy: 1.5558575151263851
Energy: 1.549564433145778
Energy: 1.492511703256807
Energy: 1.4700448498684835
Energy: 1.5558575151263851
Energy: 1.549564433145778
Energy: 1.5585142459693897
Energy: 1.531693327206731
Energy: 1.5301705757835733
Energy: 1.5295009485656181
Energy: 1.5585142459693897
Energy: 1.531693327206731
Energy: 1.5301705757829673
Energy: 1.4699414718093458
Energy: 1.5564024515747334
Energy: 1.5815399469224147
Energy: 1.478638435458365
Energy: 1.4699414718087396
Energy: 1.5564024515747334
Energy: 1.5815399469224147
Energy: 1.594597628991853
Energy: 1.4809188971159912
Energy: 1.5965613941279064
Energy: 1.5308569660613658
Energy: 1.594597628991853
Energy: 1.4809188971159912
Energy: 1.5965613941279064
Energy: 1.469318354996973
Energy: 1.6083486913071845
Energy: 1.5814291126266984
Energy: 1.5512651100401265
Energy: 1.4693183549975792
Energy: 1.6083486913071845
Energy: 1.5814291126266984
Energy: 1.6002348354540281
Energy: 1.4810549028263444
Energy: 1.5680181362601737
Energy: 1.53001251848039
Energy: 1.6002348354540281
Energy: 1.4810549028263444
Energy: 1.5680181362601737
Energy: 1.4694535705320257
Energy: 1.538943343262759
Energy: 1.5553027970310513
Energy: 1.5732723827655297
Energy: 1.4694535705320257
Energy: 1.538943343262759
Energy: 1.5553027970310513
Energy: 1.5577557022112734
Energy: 1.4809515111710128
Energy: 1.5976863232983738
Energy: 1.5251843647956933
Energy: 1.5577557022106676
Energy: 1.4809515111710128
Energy: 1.5976863232983738
Energy: 1.4709059862766196
Energy: 1.5734955319244104
Energy: 1.5496731997769349
Energy: 1.5735511179285817
Energy: 1.4709059862760139
Energy: 1.5734955319244104
Energy: 1.5496731997769349
Energy: 1.557509964303773
Energy: 1.5253033967451686
Energy: 1.5977062972333678
Energy: 1.4809301822889425
Energy: 1.5575099643031671
Energy: 1.5253033967451686
Energy: 1.597706297232762
Energy: 1.4694467019045243
Energy: 1.5732975837341932
Energy: 1.55524713354852
Energy: 1.5389867489318094
Energy: 1.4694467019045243
Energy: 1.5732975837341932
Energy: 1.5552471335479143
Energy: 1.6001861254528191
Energy: 1.5299511860815183
Energy: 1.5678262585444112
Energy: 1.481034432151512
Energy: 1.6001861254528191
Energy: 1.5299511860815183
Energy: 1.5678262585444112
Energy: 1.4693286995655082
Energy: 1.551265974320334
Energy: 1.581368285158216
Energy: 1.6083660316014106
Energy: 1.4693286995655082
Energy: 1.551265974320334
Energy: 1.581368285158216
Energy: 1.5946033728462818
Energy: 1.5307688525751444
Energy: 1.6547224787680872
Energy: 1.4809912725361765
Energy: 1.5946033728468876
Energy: 1.5307688525751444
Energy: 1.6547224787680872

minimum gb energy = 1.469318354996973 eV
minimum distance =  2.21148962082639 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.5116906795601583
Energy: 1.5736449548347158
Energy: 1.6142325451486825
Energy: 1.573708062508513
Energy: 1.5116906795601583
Energy: 1.5736449548347158
Energy: 1.6142325451486825
Energy: 1.5583372019000497
Energy: 1.5350000671615502
Energy: 1.613681231237569
Energy: 1.5344870391738523
Energy: 1.5583372019000497
Energy: 1.5350000671615502
Energy: 1.613681231237569
Energy: 1.512401604463578
Energy: 1.512588278765931
Energy: 1.6774777450848293
Energy: 1.5128063931729323
Energy: 1.512401604463578
Energy: 1.512588278765931
Energy: 1.6774777450848293
Energy: 1.4425508201254007
Energy: 1.5347668191748396
Energy: 1.6728687919159904
Energy: 1.5339415818044044
Energy: 1.4425508201254007
Energy: 1.5347668191748396
Energy: 1.6728687919058471
Energy: 1.5677751728664415
Energy: 1.4545804673680878
Energy: 1.606077321228415
Energy: 1.452495128359929
Energy: 1.5677751728664415
Energy: 1.4545804673680878
Energy: 1.606077321228415
Energy: 1.4427581836267087
Energy: 1.4786845746061383
Energy: 1.6581185664470428
Energy: 1.4775631525082937
Energy: 1.4427581836267087
Energy: 1.4786845746061383
Energy: 1.6581185664470428
Energy: 1.4939414943569607
Energy: 1.454572312706766
Energy: 1.6385168414724298
Energy: 1.4737413174849303
Energy: 1.4939414943535794
Energy: 1.454572312706766
Energy: 1.6385168414724298
Energy: 1.4419188010586792
Energy: 1.4872831656640142
Energy: 1.6457468289854844
Energy: 1.4714109408471203
Energy: 1.4419188010586792
Energy: 1.4872831656640142
Energy: 1.6457468289854844
Energy: 1.490014821167543
Energy: 1.4634050719551717
Energy: 1.6493994852650502
Energy: 1.4549648295934883
Energy: 1.490014821167543
Energy: 1.4634050719551717
Energy: 1.6493994852616691
Energy: 1.4488560939183113
Energy: 1.4869683857752922
Energy: 1.5566171434027172
Energy: 1.4734061794154016
Energy: 1.4488560939183113
Energy: 1.4869683857752922
Energy: 1.5566171434027172
Energy: 1.4927820777552903
Energy: 1.523218903208996
Energy: 1.6562730869085127
Energy: 1.4528694068786343
Energy: 1.4927820777552903
Energy: 1.523218903208996
Energy: 1.6562730869085127
Energy: 1.4486837889869038
Energy: 1.4721304710240348
Energy: 1.766382365599396
Energy: 1.476756136733167
Energy: 1.4486837889869038
Energy: 1.4721304710240348
Energy: 1.766382365599396
Energy: 1.4916778464610363
Energy: 1.4813973011900399
Energy: 1.624428735507437
Energy: 1.473489463211493
Energy: 1.4916778464610363
Energy: 1.4813973011900399
Energy: 1.624428735507437
Energy: 1.4915043441374425
Energy: 1.5760934077111417
Energy: 1.7906560509329073
Energy: 1.5282537779935894
Energy: 1.4915043441340612
Energy: 1.5760934077111417
Energy: 1.7906560509329073
Energy: 1.4913463656473767
Energy: 1.552065084576648
Energy: 1.7720875721230707
Energy: 1.6149103392543422
Energy: 1.4913463656473767
Energy: 1.552065084576648
Energy: 1.7720875721264515
Energy: 1.491300333724844
Energy: 1.4722974429088482
Energy: 1.6814814812910372
Energy: 1.4766896014624105
Energy: 1.4913003337282253
Energy: 1.4722974429088482
Energy: 1.6814814812910372
Energy: 1.4941222959676013
Energy: 1.4813873393759749
Energy: 1.7925161653716872
Energy: 1.4740732242535057
Energy: 1.4941222959676013
Energy: 1.4813873393793557
Energy: 1.7925161653716872
Energy: 1.4486521670915213
Energy: 1.4639727380443965
Energy: 1.6973928918057264
Energy: 1.477447169782893
Energy: 1.4486521670915213
Energy: 1.4639727380443965
Energy: 1.6973928918057264
Energy: 1.4939285067542514
Energy: 1.4806944757468177
Energy: 1.6243589988446379
Energy: 1.5053176019106889
Energy: 1.4939285067542514
Energy: 1.4806944757468177
Energy: 1.6243589988446379
Energy: 1.4557569797310927
Energy: 1.4640160927387864
Energy: 1.642325955365694
Energy: 1.4719380217036444
Energy: 1.4557569797310927
Energy: 1.4640160927387864
Energy: 1.642325955365694
Energy: 1.5201557561690424
Energy: 1.458796667759452
Energy: 1.6267597411248993
Energy: 1.5692418919349225
Energy: 1.5201557561690424
Energy: 1.458796667759452
Energy: 1.6267597411248993
Energy: 1.4562817712986436
Energy: 1.4674673454621154
Energy: 1.5856244610834909
Energy: 1.4734938404750102
Energy: 1.4562817712986436
Energy: 1.4674673454621154
Energy: 1.5856244610834909
Energy: 1.5219322607384849
Energy: 1.4623602735151615
Energy: 1.6912060457860043
Energy: 1.5478263093073268
Energy: 1.5219322607384849
Energy: 1.4623602735151615
Energy: 1.6912060457860043
Energy: 1.4831904445721122
Energy: 1.4743278540414648
Energy: 1.5931644744083033
Energy: 1.4736098307131085
Energy: 1.4831904445721122
Energy: 1.4743278540414648
Energy: 1.5931644744083033
Energy: 1.5192858651335184
Energy: 1.530685745308832
Energy: 1.5763901422087934
Energy: 1.6125621138265591
Energy: 1.5192858651335184
Energy: 1.530685745308832
Energy: 1.5763901422054125
Energy: 1.4894879895576167
Energy: 1.5358133324116539
Energy: 1.7115888471971552
Energy: 1.5346576025119318
Energy: 1.4894879895576167
Energy: 1.5358133324116539
Energy: 1.7115888471971552
Energy: 1.6330510244695173
Energy: 1.5329644303734489
Energy: 1.5385203723892167
Energy: 1.6111083226444578
Energy: 1.6330510244695173
Energy: 1.5329644303734489
Energy: 1.6096303156529586
Energy: 1.4924447703732995
Energy: 1.600712903915752
Energy: 1.7047566861672458
Energy: 1.5396915039131267
Energy: 1.4924447703732995
Energy: 1.600712903915752
Energy: 1.704756686170627
Energy: 1.6334401781021417
Energy: 1.5325977731121943
Energy: 1.6116821445724185
Energy: 1.6115566142883562
Energy: 1.6334401781021417
Energy: 1.5325977731121943
Energy: 1.6116821445690375
Energy: 1.4931848977105537
Energy: 1.5360792784589963
Energy: 1.6924929958847983
Energy: 1.5323270411495182
Energy: 1.4931848977105537
Energy: 1.5360792784589963
Energy: 1.6924929958847983
Energy: 1.5126306610130356
Energy: 1.5328276642150254
Energy: 1.6427326236279416
Energy: 1.610802993710908
Energy: 1.5126306610130356
Energy: 1.5328276642150254
Energy: 1.6427326236279416
Energy: 1.4941783910089719
Energy: 1.4765155390369016
Energy: 1.6272511113026513
Energy: 1.4725301072419197
Energy: 1.4941783910089719
Energy: 1.4765155390335207
Energy: 1.6272511113026513
Energy: 1.512785711551714
Energy: 1.476424469224504
Energy: 1.5896364065605888
Energy: 1.54097104298712
Energy: 1.512785711551714
Energy: 1.476424469224504
Energy: 1.5896364065707318
Energy: 1.4930350653315065
Energy: 1.476288321829814
Energy: 1.5512347835245417
Energy: 1.4749783432781287
Energy: 1.4930350653315065
Energy: 1.476288321829814
Energy: 1.5512347835245417
Energy: 1.5121516487216458
Energy: 1.4726710485779422
Energy: 1.6221589540909804
Energy: 1.5442396724144387
Energy: 1.512151648718265
Energy: 1.4726710485779422
Energy: 1.6221589540909804
Energy: 1.4929978788177596
Energy: 1.4802439089706028
Energy: 1.5924281032088492
Energy: 1.476997404406402
Energy: 1.4929978788177596
Energy: 1.4802439089706028
Energy: 1.5924281032054681
Energy: 1.4925148255222036
Energy: 1.4746062646494402
Energy: 1.5703810055870941
Energy: 1.5669109887709214
Energy: 1.4925148255222036
Energy: 1.4746062646494402
Energy: 1.5703810055904752
Energy: 1.4844595345627392
Energy: 1.4798136578135066
Energy: 1.5585734327721101
Energy: 1.476767284070486
Energy: 1.4844595345627392
Energy: 1.479813657816888
Energy: 1.5585734327721101
Energy: 1.4928616094662002
Energy: 1.543056495212446
Energy: 1.7276028445883196
Energy: 1.524738717954508
Energy: 1.4928616094662002
Energy: 1.543056495212446
Energy: 1.7276028445883196
Energy: 1.48517856721632
Energy: 1.5339258531752826
Energy: 1.579415782255197
Energy: 1.5364367575669051
Energy: 1.485178567212939
Energy: 1.5339258531752826
Energy: 1.579415782255197
Energy: 1.5426549892738715
Energy: 1.5420438259277032
Energy: 1.657805509595173
Energy: 1.524855363211802
Energy: 1.5426549892704902
Energy: 1.5420438259277032
Energy: 1.657805509595173
Energy: 1.485040817194183
Energy: 1.5012268470930505
Energy: 1.7898833373194327
Energy: 1.6136965603944786
Energy: 1.485040817194183
Energy: 1.5012268470930505
Energy: 1.789883337316052
Energy: 1.4864597869202676
Energy: 1.5418288491546164
Energy: 1.7028952375429218
Energy: 1.5238742435783723
Energy: 1.4864597869168863
Energy: 1.5418288491546164
Energy: 1.7028952375429218
Energy: 1.5024891704836014
Energy: 1.4846005846281414
Energy: 1.8049533149565908
Energy: 1.4760364996585886
Energy: 1.5024891704836014
Energy: 1.4846005846281414
Energy: 1.8049533149565908
Energy: 1.4499161172627582
Energy: 1.5595604516507118
Energy: 1.6989800035600287
Energy: 1.5453932348843757
Energy: 1.4499161172627582
Energy: 1.5595604516507118
Energy: 1.6989800035600287

minimum gb energy = 1.4419188010586792 eV
minimum distance =  2.1365665098957 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.4310351710513542
Energy: 1.3674503113864476
Energy: 1.425687305222665
Energy: 1.3674503113872096
Energy: 1.431035171053641
Energy: 1.3674503113872096
Energy: 1.484758984115095
Energy: 1.431035171050592
Energy: 1.3674503113872096
Energy: 1.927343820248497
Energy: 1.3674503113864476
Energy: 1.431035171050592
Energy: 1.3674503113864476
Energy: 1.4847589841631197
Energy: 1.431035171050592
Energy: 1.3674503113864476
Energy: 1.425687332221808
Energy: 1.3674503113864476
Energy: 1.4310351710483051
Energy: 1.3674503113864476
Energy: 1.4695449313388034
Energy: 1.431035171053641
Energy: 1.3674503113864476
Energy: 1.3576718130283234
Energy: 1.3674503113872096
Energy: 1.431035171053641
Energy: 1.3674503113872096
Energy: 1.4847589842217817
Energy: 1.4310351710490672
Energy: 1.3674503113864476
Energy: 1.425687354749784
Energy: 1.3674503113864476
Energy: 1.4310351710513542
Energy: 1.3674503113872096
Energy: 1.4847589842629452
Energy: 1.431035171050592
Energy: 1.3674503113872096
Energy: 1.357671332110826
Energy: 1.3674503113872096
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.3945059512369333
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.285122795619307
Energy: 1.3674503113872096
Energy: 1.431035171053641
Energy: 1.3674503113872096
Energy: 1.4847589843261813
Energy: 1.4310351710498295
Energy: 1.3674503113872096
Energy: 1.3576709375145497
Energy: 1.3674503113872096
Energy: 1.4310351710513542
Energy: 1.3674503113872096
Energy: 1.4847589843673104
Energy: 1.431035171053641
Energy: 1.3674503113872096
Energy: 1.2851227391675428
Energy: 1.3674503113872096
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.2851227601159756
Energy: 1.4310351710521165
Energy: 1.3674503113864476
Energy: 1.484758984457989
Energy: 1.3674503113872096
Energy: 1.4310351710521165
Energy: 1.3674503113864476
Energy: 1.4847589844328333
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.2851226891237968
Energy: 1.3674503113864476
Energy: 1.4310351710521165
Energy: 1.3674503113864476
Energy: 1.4847589844755216
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.4847589845242737
Energy: 1.3674503113872096
Energy: 1.4310351710513542
Energy: 1.3674503113864476
Energy: 1.3298369231591372
Energy: 1.431035171053641
Energy: 1.3674503113864476
Energy: 1.4847589845395197
Energy: 1.3674503113872096
Energy: 1.431035171053641
Energy: 1.3674503113864476
Energy: 1.4847589845265605
Energy: 1.4310351710521165
Energy: 1.3674503113872096
Energy: 1.4847589845844604
Energy: 1.3674503113872096
Energy: 1.4310351710521165
Energy: 1.3674503113864476
Energy: 1.4847589845775997
Energy: 1.4310351710521165
Energy: 1.3674503113864476
Energy: 1.4847589846317226
Energy: 1.3674503113872096
Energy: 1.4310351710544034
Energy: 1.3674503113864476
Energy: 1.4847589846240998
Energy: 1.431035171053641
Energy: 1.3674503113864476
Energy: 1.4847589846393454
Energy: 1.3674503113872096
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.484758984622575
Energy: 1.431035171053641
Energy: 1.3674503113864476
Energy: 1.4847589846919091
Energy: 1.3674503113864476
Energy: 1.4310351710513542
Energy: 1.3674503113864476
Energy: 1.484758984673614
Energy: 1.4310351710521165
Energy: 1.3674503113864476
Energy: 1.4847589847360876
Energy: 1.3674503113872096
Energy: 1.4310351710521165
Energy: 1.3674503113856853
Energy: 1.4847589846987697
Energy: 1.431035171053641
Energy: 1.3674503113864476
Energy: 1.484758984742948
Energy: 1.3674503113872096
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.484758984730786
Energy: 1.4310351710528786
Energy: 1.3674503113864476
Energy: 1.4847589847909728
Energy: 1.3674503113864476
Energy: 1.4310351710521165
Energy: 1.3674503113856853
Energy: 1.4847589847581941

minimum gb energy = 1.2851226891237968 eV
minimum distance =  2.31398954899245 Angstroms
sigma value = 23