Model name: model_name=MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450349978305028
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.020517088932361746
Energy: 0.46578888329010537
Energy: 0.46578888329010537
Energy: 0.020517088932361746
Energy: 0.46578888329010537
Energy: 0.46578888329010537
Energy: 0.020517088932361746
Energy: 0.46578888329010537
Energy: 0.46578888329010537
Energy: 0.020517088932361746
Energy: 0.4635669909264648
Energy: 0.02263961852223659
Energy: 0.46425061526954264
Energy: 0.4635669909264648
Energy: 0.02263961852223659
Energy: 0.46425061526954264
Energy: 0.4635669909264648
Energy: 0.022639618523759977
Energy: 0.46425061526954264
Energy: 0.4635669909264648
Energy: 1.2436222443923106
Energy: 0.021222474386280898
Energy: 0.7043338929641078
Energy: 1.2366534398869196
Energy: 0.021222474386280898
Energy: 0.7043338929656312
Energy: 1.24362224593027
Energy: 0.021222474386280898
Energy: 0.7043338929641078
Energy: 1.236653439813832
Energy: 0.4635669909264648
Energy: 0.46425061526954264
Energy: 0.02263961852223659
Energy: 0.46356699092798825
Energy: 0.46425061526954264
Energy: 0.02263961852223659
Energy: 0.4635669909264648
Energy: 0.46425061526954264
Energy: 0.02263961852223659
Energy: 0.46356699092798825
Energy: 0.020517088930838364
Energy: 0.46578888329010537
Energy: 0.46578888329010537
Energy: 0.020517088930838364
Energy: 0.465788883288582
Energy: 0.46578888329010537
Energy: 0.020517088930838364
Energy: 0.46578888329010537
Energy: 0.46578888329010537
Energy: 0.020517088930838364
Energy: 0.4635669909264648
Energy: 0.02263961852223659
Energy: 0.46425061526954264
Energy: 0.46356699092798825
Energy: 0.02263961852223659
Energy: 0.46425061526954264
Energy: 0.4635669909264648
Energy: 0.02263961852223659
Energy: 0.46425061526954264
Energy: 0.46356699092798825
Energy: 1.144639401508725
Energy: 0.021222474384757512
Energy: 0.2754155086628614
Energy: 1.144564775384453
Energy: 0.021222474386280898
Energy: 0.2754155086628614
Energy: 1.1446131042823378
Energy: 0.021222474386280898
Energy: 0.2754155086628614
Energy: 1.1446284927664865

minimum gb energy = 0.020517088930838364 eV
minimum distance =  2.2641882488046 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.287598432206539
Energy: 1.603205110415141
Energy: 1.6031656277618056
Energy: 1.186107724770639
Energy: 1.603205110415141
Energy: 1.603165627765537
Energy: 1.287598432206539
Energy: 1.6032051104188727
Energy: 1.6031656277618056
Energy: 1.186107724770639
Energy: 1.4063658359934346
Energy: 1.2271712793281155
Energy: 1.5783951009586605
Energy: 1.4063658359934346
Energy: 1.227171279324384
Energy: 1.5783951009586605
Energy: 1.4063658359934346
Energy: 1.227171279324384
Energy: 1.5783951009586605
Energy: 1.4063658359934346
Energy: 1.6971950007263576
Energy: 1.5852530299787844
Energy: 1.637265430044291
Energy: 1.654965225571113
Energy: 1.5852530299750531
Energy: 1.637265430044291
Energy: 1.697195000730089
Energy: 1.5852530299750531
Energy: 1.6372654300368281
Energy: 1.6549652255673812
Energy: 1.6307109798978594
Energy: 1.6648941529207641
Energy: 1.1877155150119345
Energy: 1.6307109798978594
Energy: 1.6648941529244958
Energy: 1.187715515008203
Energy: 1.6307109798978594
Energy: 1.6648941529207641
Energy: 1.1877155150119345
Energy: 1.6307109798941277
Energy: 1.1275989912384277
Energy: 1.644322998527082
Energy: 1.638295505754715
Energy: 1.127598991234696
Energy: 1.644193922090328
Energy: 1.6235590730493792
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Energy: 1.644322998527082
Energy: 1.638295505754715
Energy: 1.127598991234696
Energy: 1.6803461921218128
Energy: 1.3823423826667125
Energy: 1.5299088781316401
Energy: 1.6803461921218128
Energy: 1.382342382670444
Energy: 1.5299088781391033
Energy: 1.680346192125544
Energy: 1.382342382670444
Energy: 1.5299088781353716
Energy: 1.6803461921218128
Energy: 1.5807313318717529
Energy: 1.3841734539120623
Energy: 1.693787923485525
Energy: 1.5807313318680212
Energy: 1.3841734539120623
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Energy: 1.5807313318680212
Energy: 1.3841734539120623
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Energy: 1.5807313318717529
Energy: 1.5806245794844067
Energy: 1.5489709368412086
Energy: 1.2241200249039683
Energy: 1.5806245794844067
Energy: 1.5489709368412086
Energy: 1.2241833183128612
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Energy: 1.2241200249002369
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Energy: 1.2559262978802292
Energy: 1.604621531784647
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Energy: 1.1856002887616939
Energy: 1.6046215317883785
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Energy: 1.1856002887579626
Energy: 1.523402309489703
Energy: 1.6797454665462668
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Energy: 1.6910722368254691
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Energy: 1.4742615091937488
Energy: 1.580393598554511
Energy: 1.7318588400241115
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Energy: 1.7318588400241115
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Energy: 1.580393598554511
Energy: 1.7318588400166488
Energy: 1.4742615091974802
Energy: 1.580587683292617
Energy: 1.1857055445474631
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Energy: 1.1857055445474631
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Energy: 1.5790587148778905
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Energy: 1.5616520360095194
Energy: 1.525203199700051
Energy: 1.2270764278883275
Energy: 1.5616520360057877
Energy: 1.5252031996963193
Energy: 1.227241019311086
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Energy: 1.5252031996963193
Energy: 1.2270764278883275
Energy: 1.5616520360057877
Energy: 1.4751893667009741
Energy: 1.7038340614560843
Energy: 1.68145749212227
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Energy: 1.7038340614560843
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Energy: 1.7038340614560843
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Energy: 1.2903218549253463
Energy: 1.7117852737862826
Energy: 1.6055923694089003
Energy: 1.1859516716620668
Energy: 1.711785273782551
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Energy: 1.7117852737862826
Energy: 1.6055923694089003
Energy: 1.1859516716583351
Energy: 1.6493895970521486
Energy: 1.2245176311120902
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Energy: 1.2245176311158217
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Energy: 1.2245176311195531
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Energy: 1.6493895970558803
Energy: 1.6051421823282712
Energy: 1.710315510124197
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Energy: 1.6051421823245398
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Energy: 1.1854707522621948
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Energy: 1.710315398612706
Energy: 1.1854707522621948
Energy: 1.6051421823245398
Energy: 1.671683570205085
Energy: 1.4732842796600352
Energy: 1.3821198887218826
Energy: 1.671683570205085
Energy: 1.4683526026320135
Energy: 1.3821198887218826
Energy: 1.671683570205085
Energy: 1.473284279656304
Energy: 1.3821198887218826
Energy: 1.671683570205085
Energy: 1.1294117352534268
Energy: 1.6218562951949016
Energy: 1.6206941151099588
Energy: 1.1294117352571584
Energy: 1.6115376032919746
Energy: 1.6207037252130794
Energy: 1.1294117352608897
Energy: 1.62185629519117
Energy: 1.6206941151099588
Energy: 1.1294117352571584
Energy: 1.5830018730287754
Energy: 1.1857832177799943
Energy: 1.5859514703212458
Energy: 1.583001873032507
Energy: 1.1857832177799943
Energy: 1.5859514703175146
Energy: 1.5830018730287754
Energy: 1.185783217776263
Energy: 1.5859514703175146
Energy: 1.5830018730287754
Energy: 1.4617434100854796
Energy: 1.6141459336973996
Energy: 1.474605120869464
Energy: 1.461743410081748
Energy: 1.6141459336973996
Energy: 1.4746051208731956
Energy: 1.4617434100854796
Energy: 1.6141459336973996
Energy: 1.4746051208769269
Energy: 1.4617434100854796
Energy: 1.4092314521062614
Energy: 1.551025163062522
Energy: 1.2269226209695259
Energy: 1.4092314521099927
Energy: 1.551025163062522
Energy: 1.22687341504187
Energy: 1.4092314521062614
Energy: 1.551025163062522
Energy: 1.2269226209695259
Energy: 1.4092314521025298
Energy: 1.2541273971266642
Energy: 1.603205110415141
Energy: 1.6031656277618056
Energy: 1.1861077247669076
Energy: 1.603205110415141
Energy: 1.603165627765537
Energy: 1.254127397130396
Energy: 1.6032051104188727
Energy: 1.6031656277618056
Energy: 1.1861077247669076
Energy: 1.4063658359934346
Energy: 1.227171279324384
Energy: 1.5783951009623922
Energy: 1.4063658359934346
Energy: 1.227171279324384
Energy: 1.5783951009586605
Energy: 1.4063658359971662
Energy: 1.227171279324384
Energy: 1.5783951009586605
Energy: 1.4063658359934346
Energy: 1.6940977951470075
Energy: 1.5852530299787844
Energy: 1.637265430044291
Energy: 1.6844776335887828
Energy: 1.5852530299787844
Energy: 1.637265430044291
Energy: 1.6940977951470075
Energy: 1.5852530299787844
Energy: 1.637265430044291
Energy: 1.6844776335850513
Energy: 1.6307109798978594
Energy: 1.6648941529244958
Energy: 1.1877155150119345
Energy: 1.6307109798978594
Energy: 1.6648941529244958
Energy: 1.187715515008203
Energy: 1.6307109798941277
Energy: 1.6648941529207641
Energy: 1.1877155150119345
Energy: 1.6307109798941277

minimum gb energy = 1.127598991234696 eV
minimum distance =  2.19617232125447 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.4118274775747732
Energy: 1.2080473600204846
Energy: 1.2091555607006386
Energy: 1.3174165948273184
Energy: 1.2080473600186639
Energy: 1.2091555607006386
Energy: 1.4118274775747732
Energy: 1.2080473600186639
Energy: 1.2091555607006386
Energy: 1.3174165948273184
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minimum gb energy = 1.2048136413312105 eV
minimum distance =  2.19478427246173 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.4850205717764597
Energy: 1.595411320400189
Energy: 1.4904768659730157
Energy: 1.472090033586028
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Energy: 1.472090033588082
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Energy: 1.472090033588082
Energy: 1.5869426046415156
Energy: 1.532815361450029
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Energy: 1.4392513889835745
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Energy: 1.416112692789536
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Energy: 1.511059225026493
Energy: 1.4457523899626363
Energy: 1.3522970801999217
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Energy: 1.6748378528594914
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Energy: 1.5764909120416355
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Energy: 1.6396358572933918
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Energy: 1.5402305900598265
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Energy: 1.4531588725672488
Energy: 1.4892068553664228
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Energy: 1.51916833223747
Energy: 1.6005584823993744
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Energy: 1.4715414327384206
Energy: 1.5240638121863315
Energy: 1.4554723990301737
Energy: 1.4715414327404748
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Energy: 1.4715414327404748
Energy: 1.5240638122007102
Energy: 1.4554723990301737
Energy: 1.4715414327363665
Energy: 1.3870961419482626
Energy: 1.523620539775903
Energy: 1.578501014828545
Energy: 1.3870961419503165
Energy: 1.523620539775903
Energy: 1.5785010148305991
Energy: 1.3870961419482626
Energy: 1.523620539775903
Energy: 1.5785010148305991
Energy: 1.3870961419482626
Energy: 1.4455747505151864
Energy: 1.4902529801487727
Energy: 1.4554468072986515
Energy: 1.4455747505151864
Energy: 1.4901230335866673
Energy: 1.4554468073684548
Energy: 1.445574750513132
Energy: 1.4902529801487727
Energy: 1.45544680739105
Energy: 1.4455747505151864
Energy: 1.5535170583331839
Energy: 1.4913641415783454
Energy: 1.6004328073958012
Energy: 1.5535170583331839
Energy: 1.4913662596326933
Energy: 1.6004328073978553
Energy: 1.5535170583311295
Energy: 1.4913641415783454
Energy: 1.6004328073978553
Energy: 1.5535170583311295
Energy: 1.5001363932162535
Energy: 1.4914389751474382
Energy: 1.4187436887315088
Energy: 1.5001363932162535
Energy: 1.4914389751474382
Energy: 1.4187436887315088
Energy: 1.5001363932141991
Energy: 1.4914389751494925
Energy: 1.4187436887315088
Energy: 1.5001363932141991
Energy: 1.4147305072355132
Energy: 1.525066841572142
Energy: 1.4503638153764666
Energy: 1.4147305072355132
Energy: 1.5251702246365924
Energy: 1.4503638153764666
Energy: 1.4147305072375673
Energy: 1.525066841572142
Energy: 1.4503638153764666
Energy: 1.4147305072355132
Energy: 1.5097316744497145
Energy: 1.4374157327497152
Energy: 1.590811156543953
Energy: 1.5097316744497145
Energy: 1.437344519354642
Energy: 1.590811156543953
Energy: 1.5097316744497145
Energy: 1.4374157327497152
Energy: 1.590811156543953
Energy: 1.5097316744497145
Energy: 1.5413648704193235
Energy: 1.3717158304145503
Energy: 1.5709545033988779
Energy: 1.5413648704193235
Energy: 1.3717156396439278
Energy: 1.5709545034009322
Energy: 1.5413648704193235
Energy: 1.3717158304145503
Energy: 1.5709545033988779
Energy: 1.5413648704193235

minimum gb energy = 1.3522970801999217 eV
minimum distance =  2.17741435819354 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.3460423064269897
Energy: 1.4513623601792442
Energy: 1.4514116795057208
Energy: 1.3460423064262845
Energy: 1.4513623601616148
Energy: 1.4514116794775132
Energy: 1.3460423064269897
Energy: 1.4513623601164827
Energy: 1.451411679480334
Energy: 1.3460423064262845
Energy: 1.5437792706266837
Energy: 1.3452284467231306
Energy: 1.5960107669697574
Energy: 1.5437792706266837
Energy: 1.3452284468049325
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Energy: 1.5437792706259788
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Energy: 1.5960107669331516
Energy: 1.5437792706252733
Energy: 1.3890217219837693
Energy: 1.4185717632374086
Energy: 1.3044394816639369
Energy: 1.3890217219844745
Energy: 1.4185717632395243
Energy: 1.304439480470564
Energy: 1.389021721983064
Energy: 1.4185717632367034
Energy: 1.3044394813051234
Energy: 1.3890217219837693
Energy: 1.593222404842526
Energy: 1.621666180244337
Energy: 1.3636404047975166
Energy: 1.593222404843231
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Energy: 1.3753031310373065
Energy: 1.3887230120857417
Energy: 1.377600463551072
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Energy: 1.436870564004697
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Energy: 1.4422307809179296
Energy: 1.452042908173464
Energy: 1.4497387096205658
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Energy: 1.452042908173464
Energy: 1.449738709621271
Energy: 1.390168658202882
Energy: 1.452042908173464
Energy: 1.449738709621271
Energy: 1.3901686582035873
Energy: 1.452042908173464
Energy: 1.3896916057658475
Energy: 1.5951749077646866
Energy: 1.648519229923074
Energy: 1.3896916057644373
Energy: 1.595174907762571
Energy: 1.6485192299237792
Energy: 1.3896916057658475
Energy: 1.595174907763276
Energy: 1.648519229923074
Energy: 1.3896916057630269
Energy: 1.3754539498267822
Energy: 1.3775436661603346
Energy: 1.38871869802282
Energy: 1.3754539498253717
Energy: 1.3775436661610398
Energy: 1.3887186980221151
Energy: 1.3754539498267822
Energy: 1.3775436661610398
Energy: 1.3887186980221151
Energy: 1.3754539498253717
Energy: 1.5928759884225234
Energy: 1.3636288220446902
Energy: 1.6220047803918949
Energy: 1.592875988420408
Energy: 1.3636288220439847
Energy: 1.6220047804433735
Energy: 1.5928759884225234
Energy: 1.3636288220446902
Energy: 1.6220047805272269
Energy: 1.592875988421113
Energy: 1.3889449547919228
Energy: 1.3042210597104937
Energy: 1.418536378535459
Energy: 1.3889449547905124
Energy: 1.3042210599423727
Energy: 1.4185363785347538
Energy: 1.3889449547919228
Energy: 1.3042210597429325
Energy: 1.4185363785361642
Energy: 1.3889449547891022
Energy: 1.5440053483888785
Energy: 1.5963665774195568
Energy: 1.345613496455637
Energy: 1.5440053483895837
Energy: 1.5963665774195568
Energy: 1.3456134963724244
Energy: 1.544005348390289
Energy: 1.5963665774202622
Energy: 1.3456134964732667
Energy: 1.5440053483895837
Energy: 1.3460423064255793
Energy: 1.4513623602539303
Energy: 1.4514116794958483
Energy: 1.3460423064269897
Energy: 1.4513623601834755
Energy: 1.4514116794782186
Energy: 1.3460423064262845
Energy: 1.4513623601284709
Energy: 1.4514116794746925
Energy: 1.3460423064262845

minimum gb energy = 1.3042210597104937 eV
minimum distance =  2.26217110749878 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.5218482751515736
Energy: 1.3133178845931666
Energy: 1.3135400053556894
Energy: 1.4385370045816843
Energy: 1.3133178845931666
Energy: 1.3135400053556894
Energy: 1.5218482751488378
Energy: 1.3133178845959026
Energy: 1.3135400053556894
Energy: 1.4385370045816843
Energy: 1.5992308998548301
Energy: 1.2056423709950326
Energy: 1.3451338463215248
Energy: 1.599230899849358
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Energy: 1.599230899852094
Energy: 1.4458986131935425
Energy: 1.2596426947561477
Energy: 1.395124936820261
Energy: 1.4051597686908872
Energy: 1.2596426947534114
Energy: 1.4009265350970854
Energy: 1.4458986131880704
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Energy: 1.4051597686908872
Energy: 1.217878601450038
Energy: 1.2177191101618758
Energy: 1.2859652999555398
Energy: 1.2178786016250471
Energy: 1.2177191101865006
Energy: 1.2876390211244626
Energy: 1.2178786009659512
Energy: 1.217719110167348
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Energy: 1.2178786015703755
Energy: 1.246765399832636
Energy: 1.395587757499843
Energy: 1.2882624890022498
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Energy: 1.2883779498377923
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Energy: 1.395587757499843
Energy: 1.2882624890022498
Energy: 1.2467653998298998
Energy: 1.2527154098603288
Energy: 1.509981757475535
Energy: 1.3482244611214782
Energy: 1.252715409863065
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Energy: 1.2527154098603288
Energy: 1.3864312420145073
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Energy: 1.3216874100920128
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Energy: 1.321687410094749
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Energy: 1.1882857554079267
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Energy: 1.3155104227450711
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Energy: 1.3435673130695018
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Energy: 1.2293524246520342
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Energy: 1.3616684932242022
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Energy: 1.258720046275151
Energy: 1.3473400517081555
Energy: 1.2902191023688525
Energy: 1.2587200462778871
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Energy: 1.2902191023715888
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Energy: 1.4169136076475648
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Energy: 1.2639843201097356
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Energy: 1.2393478540455534
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Energy: 1.3748857651289048
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Energy: 1.3275052878470928
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Energy: 1.3275052878416207
Energy: 1.2580006383225868
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Energy: 1.4145784118384437
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Energy: 1.497086913154959
Energy: 1.276451620556694
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Energy: 1.3325580878103704
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Energy: 1.276451620551222
Energy: 1.2681421046677583
Energy: 1.2680028548697253
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Energy: 1.2680028548724116
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Energy: 1.2835485750332083
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Energy: 1.2835485750304723
Energy: 1.522139638393135
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Energy: 1.3495689888635645
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Energy: 1.3495689888608284
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Energy: 1.3495689888635645
Energy: 1.4496358403706782
Energy: 1.4807980158480634
Energy: 1.208002374600749
Energy: 1.3484827048642514
Energy: 1.4807980158480634
Energy: 1.2080023746034854
Energy: 1.3484827048669876
Energy: 1.4807980158453273
Energy: 1.2080023746034854
Energy: 1.3484827048669876
Energy: 1.4807980158480634
Energy: 1.301584155572532
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Energy: 1.301584155569796
Energy: 1.3727576005798505
Energy: 1.5527149501521496
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Energy: 1.5527149501548858
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Energy: 1.5527149501548858
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Energy: 1.2879835835579956
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Energy: 1.2469734411089775
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Energy: 1.3167748743986205
Energy: 1.3771900472252796
Energy: 1.2989401555920985
Energy: 1.3167748743986205
Energy: 1.3771900472225438
Energy: 1.2989401555920985
Energy: 1.3167748744040433
Energy: 1.3771900472252796
Energy: 1.2989401555920985
Energy: 1.3167748744013568
Energy: 1.4172682848638518
Energy: 1.2051070985011385
Energy: 1.4424595085944845
Energy: 1.4172682848611156
Energy: 1.2051070985038745
Energy: 1.4424595085972207
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Energy: 1.2051070985093468
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Energy: 1.4172682848583795
Energy: 1.3135511818206655
Energy: 1.3106246851109582
Energy: 1.4812393822641226
Energy: 1.3135511818206655
Energy: 1.3106246851109582
Energy: 1.4397464292421907
Energy: 1.313551181823352
Energy: 1.3106246851136942
Energy: 1.4812393822668586
Energy: 1.313551181823352
Energy: 1.2063589843308744
Energy: 1.3531581138176967
Energy: 1.2504885791651816
Energy: 1.2063589843308744
Energy: 1.3476290698982285
Energy: 1.2250081672930748
Energy: 1.2063589843308744
Energy: 1.3531581138176967
Energy: 1.2504885791624456
Energy: 1.2063589843336107
Energy: 1.2594972961170874
Energy: 1.2685013717688332
Energy: 1.2680024163481456
Energy: 1.2594972961198234
Energy: 1.2682488409794543
Energy: 1.267751792742598
Energy: 1.2594972961198234
Energy: 1.2685013717715687
Energy: 1.2680024163481456
Energy: 1.2594972961198234
Energy: 1.2256251426935307
Energy: 1.2844178393733963
Energy: 1.2178570638811648
Energy: 1.2256251426907945
Energy: 1.2844046509219282
Energy: 1.2178570635748733
Energy: 1.2256251426935307
Energy: 1.2844178393679244
Energy: 1.2178570631864996
Energy: 1.2256251426962668
Energy: 1.403114834750073
Energy: 1.2568319961887446
Energy: 1.2673225807171336
Energy: 1.403114834750073
Energy: 1.2565428062523045
Energy: 1.2673225807171336
Energy: 1.403114834750073
Energy: 1.256831996191481
Energy: 1.2673225807171336
Energy: 1.4031148347528088
Energy: 1.5120972681791247
Energy: 1.3482116939865378
Energy: 1.2488876733471626
Energy: 1.5120972681791247
Energy: 1.3482116939865378
Energy: 1.2488876733471626
Energy: 1.5120972681818605
Energy: 1.3482116939838016
Energy: 1.2488876733444265
Energy: 1.5120972681818605

minimum gb energy = 1.188248139871161 eV
minimum distance =  2.1939701293053 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.930870719751546
Energy: 0.7100688687985395
Energy: 0.7097078155879214
Energy: 0.5503360213898938
Energy: 0.7100688687988346
Energy: 0.7097078155866222
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Energy: 0.8350663052267124
Energy: 0.7001250359791196
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Energy: 0.7973050908646618
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Energy: 1.0681041933517406
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Energy: 0.7973050908672601
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Energy: 0.8558915642963032
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Energy: 0.7151076894723086
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Energy: 0.737403081334014
Energy: 0.715107689471659
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Energy: 0.80447227071977
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Energy: 0.8044722707217187
Energy: 0.6601574120182645
Energy: 0.7100688687978899
Energy: 0.7097078155879214
Energy: 0.5503360213898938
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Energy: 0.7001250359781157
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Energy: 0.7823926933202835
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Energy: 0.8979453136659976
Energy: 0.7102177999755704
Energy: 0.8558915642953583
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Energy: 0.8194387476804613
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Energy: 0.71021779997622
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Energy: 0.7101979072323964
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Energy: 0.7101979072356442
Energy: 0.9641552952287069
Energy: 0.9659565577561752
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Energy: 0.7100242912682121
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Energy: 0.9596338861905634
Energy: 0.6625891662483265
Energy: 0.6991048541890895
Energy: 0.9596338861918625
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Energy: 0.6991048541906839
Energy: 0.9596338861915673
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Energy: 0.9596338861922169
Energy: 0.7024025036201618
Energy: 0.866970767890522
Energy: 0.709955897616876
Energy: 0.6178224835081478
Energy: 0.9010803554007759
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Energy: 0.7024025036198664
Energy: 0.866970767889518
Energy: 0.7099558976184706
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Energy: 0.6052694738822154
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Energy: 0.71021779997622
Energy: 0.8558915642924058
Energy: 0.8979453136627498
Energy: 0.7101979072323964
Energy: 0.7370880975663325
Energy: 0.6627218005722969
Energy: 0.7101979072326917
Energy: 0.7370880975650334
Energy: 0.6624968035681186
Energy: 0.7101979072326917
Energy: 0.7370880975627303
Energy: 0.6627218005732416
Energy: 0.7101979072356442
Energy: 0.9641552952313052
Energy: 0.9586005540328876
Energy: 0.7867796772520042
Energy: 0.964155295230006
Energy: 0.9423750247799397
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Energy: 0.9641552952313052
Energy: 0.9586005540306434
Energy: 0.7867796772526537
Energy: 0.9641552952306556
Energy: 0.7100242912698655
Energy: 0.8222598209636985
Energy: 0.9140914181672909
Energy: 0.7100242912692162
Energy: 0.7879455470358684
Energy: 0.9140914181656373
Energy: 0.7100242912672674
Energy: 0.8222598209646435
Energy: 0.9140914181659918
Energy: 0.710024291266913
Energy: 0.9596338861912131
Energy: 0.7218034506468708
Energy: 0.6991048541900344
Energy: 0.9596338861918625
Energy: 0.6058561691072982
Energy: 0.6991048541903887
Energy: 0.9596338861922169
Energy: 0.7218034506485242
Energy: 0.6991048541910383
Energy: 0.9596338861928664
Energy: 0.7024025036208114
Energy: 0.8669707678914668
Energy: 0.7099558976162265
Energy: 0.702402503620516
Energy: 0.8669707678908172
Energy: 0.709955897616876
Energy: 0.702402503620516
Energy: 0.8669707678911714
Energy: 0.7099558976184706
Energy: 0.7024025036195122
Energy: 0.5503282191141409
Energy: 0.5525264870416776
Energy: 0.7374030813376161
Energy: 0.7151076894723086
Energy: 0.7139995225404223
Energy: 0.737403081334014
Energy: 0.5503282191102433
Energy: 0.5525264870390794
Energy: 0.7374030813324195
Energy: 0.7151076894723086
Energy: 0.8044722707213645
Energy: 0.9130880237268237
Energy: 0.7375520923198728
Energy: 0.8044722707223683
Energy: 0.9130880237281228
Energy: 0.737552092318869
Energy: 0.8044722707223683
Energy: 0.9130880237281228
Energy: 0.7375520923192233
Energy: 0.8044722707217187

minimum gb energy = 0.5503282191102433 eV
minimum distance =  2.31733511781602 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.2411783705080752
Energy: 1.2670788214899606
Energy: 1.2557373172676964
Energy: 1.2411783705080752
Energy: 1.2670788214899606
Energy: 1.2557373172676964
Energy: 1.2411783705080752
Energy: 1.2670788214899606
Energy: 1.2557373172676964
Energy: 1.2411783705080752
Energy: 1.2604792798072473
Energy: 1.2029806631652895
Energy: 1.2393031425686754
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Energy: 1.2604792798090303
Energy: 1.252636895680932
Energy: 1.1813597814831631
Energy: 1.234161225749205
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Energy: 1.1813597814831631
Energy: 1.2345572886326077
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Energy: 1.234161225750988
Energy: 1.2526368956773661
Energy: 1.302822664668765
Energy: 1.1436571852113293
Energy: 1.3279955189797157
Energy: 1.3028226646705479
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Energy: 1.1796352778382504
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Energy: 1.2553768278365838
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Energy: 1.2553768278383668
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Energy: 1.2255488734864939
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Energy: 1.1941062323150717
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Energy: 1.3278716226126308
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Energy: 1.3278716226126308
Energy: 1.1900425408332462
Energy: 1.230384947220682
Energy: 1.3111763462212151
Energy: 1.2616372217498508
Energy: 1.165732481481562
Energy: 1.3111763462229982
Energy: 1.2616372217498508
Energy: 1.165732481479779
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Energy: 1.2682845925766046
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Energy: 1.17526420271555
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Energy: 1.1921155708408042
Energy: 1.1752642027119842
Energy: 1.2682845925766046
Energy: 1.1921155708390212
Energy: 1.17526420271555
Energy: 1.2682845925801707
Energy: 1.2238486664992672
Energy: 1.2792032459074874
Energy: 1.237656494787322
Energy: 1.2238486664992672
Energy: 1.2792032459092704
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Energy: 1.2366812222674832
Energy: 1.180458758573831
Energy: 1.3192202560185546
Energy: 1.2366812222674832
Energy: 1.180458756483329

minimum gb energy = 1.1252422461080798 eV
minimum distance =  2.20118127901545 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.3845761126820126
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Energy: 1.5373375592138545
Energy: 1.3845761126820126
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Energy: 1.7567155401555725
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Energy: 1.4722518794082242
Energy: 1.5387830054909226
Energy: 1.4632847418534594
Energy: 1.4722518794105843
Energy: 1.5387830054897425
Energy: 1.4632847418534594

minimum gb energy = 1.373872824560813 eV
minimum distance =  2.24451970270492 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.581136068276972
Energy: 1.76410986927291
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minimum gb energy = 1.5178063226366805 eV
minimum distance =  2.17359168400097 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.5175949416816767
Energy: 1.5355631904732547
Energy: 1.5298031583843743
Energy: 1.5175949416790113
Energy: 1.5355631904732547
Energy: 1.6058435793305386
Energy: 1.6383748903634578
Energy: 1.539815620807041
Energy: 1.6058435793278731
Energy: 1.6383748903607926
Energy: 1.539815620807041
Energy: 1.6058435793305386
Energy: 1.6383748903607926
Energy: 1.539815620807041
Energy: 1.6058435793278731
Energy: 1.5432083208642076
Energy: 1.5747432980989664
Energy: 1.5748597319705946
Energy: 1.5432083208642076
Energy: 1.5747432981016318
Energy: 1.5748597319732602
Energy: 1.5432083208642076
Energy: 1.5747432981016318
Energy: 1.5748597319732602
Energy: 1.5432083208668728
Energy: 1.6059037430124707
Energy: 1.5398511281463048
Energy: 1.6386324320782093
Energy: 1.6059037430124707
Energy: 1.5398511281463048
Energy: 1.6386324320782093
Energy: 1.6059037430124707
Energy: 1.5398511281463048
Energy: 1.6386324320782093
Energy: 1.6059037430124707
Energy: 1.5353299740764035
Energy: 1.5175589395663889
Energy: 1.5297698523604624
Energy: 1.535329974079069
Energy: 1.5175589395663889
Energy: 1.5297698523604624
Energy: 1.535329974079069
Energy: 1.517558939563724
Energy: 1.5297698523604624
Energy: 1.5353299740764035
Energy: 1.590254675818013
Energy: 1.5119002781814634
Energy: 1.574071908216795
Energy: 1.5902546758153477
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Energy: 1.590254675818013
Energy: 1.5119002781814634
Energy: 1.574071908216795
Energy: 1.5902546758153477
Energy: 1.7342094349663009
Energy: 1.5113099606076852
Energy: 1.520564341724059
Energy: 1.7342094349663009
Energy: 1.5113099606076852
Energy: 1.520564341724059
Energy: 1.7342094349663009
Energy: 1.5113099606076852
Energy: 1.520564341724059
Energy: 1.7342094349663009
Energy: 1.6411390017076277
Energy: 1.6421384141423385
Energy: 1.6647765076164625
Energy: 1.6411390017049623
Energy: 1.6421384141423385
Energy: 1.6647765076191279
Energy: 1.6411390017076277
Energy: 1.642138414145004
Energy: 1.6647765076164625
Energy: 1.6411390017076277
Energy: 1.5113580666260416
Energy: 1.7057327642846163
Energy: 1.527468520296684
Energy: 1.5113580666233761
Energy: 1.7057327642846163
Energy: 1.527468520296684
Energy: 1.5113580666233761
Energy: 1.7057327642846163
Energy: 1.5274685202993494
Energy: 1.5113580666260416
Energy: 1.7074679372624724
Energy: 1.5780024561670545
Energy: 1.578203786743725
Energy: 1.7074679372624724
Energy: 1.5780024561670545
Energy: 1.578203786743725
Energy: 1.7074679372624724
Energy: 1.5780024561670545
Energy: 1.578203786743725
Energy: 1.7074679372624724
Energy: 1.5131202288107568
Energy: 1.69364353486193
Energy: 1.7053950899771877
Energy: 1.5131202288107568
Energy: 1.6936435348592649
Energy: 1.7053950899771877
Energy: 1.5131202288107568
Energy: 1.69364353486193
Energy: 1.7053950899771877
Energy: 1.5131202288107568
Energy: 1.6285383783468756
Energy: 1.6648157821337561
Energy: 1.6420853389734087
Energy: 1.628538378349541
Energy: 1.664815782131091
Energy: 1.6420853389734087
Energy: 1.6285383783468756
Energy: 1.6648157821337561
Energy: 1.6420853389734087
Energy: 1.6285383783468756
Energy: 1.7343645865730497
Energy: 1.5206901368135386
Energy: 1.5114453179488763
Energy: 1.7343645865730497
Energy: 1.520690136816204
Energy: 1.5114453179488763
Energy: 1.7343645865757154
Energy: 1.5206901368135386
Energy: 1.5114453179488763
Energy: 1.7343645865730497
Energy: 1.5901813607110997
Energy: 1.572748821860035
Energy: 1.5124114405285596
Energy: 1.5901813607110997
Energy: 1.572748821860035
Energy: 1.5124114405285596
Energy: 1.5901813607110997
Energy: 1.572748821860035
Energy: 1.5124114405285596
Energy: 1.5901813607110997

minimum gb energy = 1.5113099606076852 eV
minimum distance =  2.18051030063036 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.5216042107245598
Energy: 1.5227728983069542
Energy: 1.5225948318088791
Energy: 1.5216042107245598
Energy: 1.5227728983074358
Energy: 1.5225948318074338
Energy: 1.521604210724078
Energy: 1.522772898308399
Energy: 1.5225948318069522
Energy: 1.5216042107245598
Energy: 1.5200568786804751
Energy: 1.5221159949789012
Energy: 1.5222926070433793
Energy: 1.520056878680957
Energy: 1.5221159949803462
Energy: 1.5222926070428975
Energy: 1.5200568786799935
Energy: 1.5221159949789012
Energy: 1.522292607043861
Energy: 1.520056878679512
Energy: 1.5202570657678924
Energy: 1.5202544419356987
Energy: 1.6026353937168372
Energy: 1.5202570657688559
Energy: 1.5202544419342534
Energy: 1.6025547507568747
Energy: 1.5202570657678924
Energy: 1.5202544419347352
Energy: 1.602636632579246
Energy: 1.5202570657678924
Energy: 1.6026682130717338
Energy: 1.5203455740604024
Energy: 1.5202081701343606
Energy: 1.6026859578096133
Energy: 1.5203455740604024
Energy: 1.520208170133397
Energy: 1.6026413858979123
Energy: 1.5203455740608842
Energy: 1.5202081701348422
Energy: 1.6026826556743579
Energy: 1.5222774886776689
Energy: 1.5219860244883252
Energy: 1.5201820298530002
Energy: 1.5222774886791142
Energy: 1.5219860244878434
Energy: 1.5201820298520365
Energy: 1.5222774886781507
Energy: 1.5219860244878434
Energy: 1.5201820298525184
Energy: 1.5222774886781507
Energy: 1.5227728983079176
Energy: 1.5225948318083973
Energy: 1.521604210724078
Energy: 1.522772898308399
Energy: 1.5225948318074338
Energy: 1.521604210724078
Energy: 1.5227728983069542
Energy: 1.5225948318083973
Energy: 1.521604210724078
Energy: 1.5227728983079176
Energy: 1.5221159949798646
Energy: 1.522292607043861
Energy: 1.5200568786804751
Energy: 1.5221159949793828
Energy: 1.522292607043861
Energy: 1.5200568786814386
Energy: 1.5221159949798646
Energy: 1.5222926070428975
Energy: 1.5200568786799935
Energy: 1.5221159949789012
Energy: 1.5202544419356987
Energy: 1.6026752427093933
Energy: 1.5202570657678924
Energy: 1.520254441935217
Energy: 1.6026394590759527
Energy: 1.520257065768374
Energy: 1.520254441935217
Energy: 1.6026400048121032
Energy: 1.5202570657678924
Energy: 1.5202544419366621
Energy: 1.5203455740604024
Energy: 1.5202081701324335
Energy: 1.6026900902014378
Energy: 1.5203455740613658
Energy: 1.5202081701338785
Energy: 1.6026346925356876
Energy: 1.5203455740608842
Energy: 1.5202081701324335
Energy: 1.6026892561129207
Energy: 1.5203455740608842
Energy: 1.5219860244878434
Energy: 1.5201820298525184
Energy: 1.5222774886781507
Energy: 1.5219860244878434
Energy: 1.5201820298530002
Energy: 1.5222774886791142
Energy: 1.5219860244883252
Energy: 1.5201820298525184
Energy: 1.5222774886786323
Energy: 1.5219860244883252
Energy: 1.5225948318069522
Energy: 1.5216042107245598
Energy: 1.5227728983059905
Energy: 1.5225948318079157
Energy: 1.521604210724078
Energy: 1.5227728983088809
Energy: 1.5225948318064704
Energy: 1.5216042107245598
Energy: 1.5227728983069542
Energy: 1.5225948318074338
Energy: 1.522292607043861
Energy: 1.5200568786804751
Energy: 1.5221159949798646
Energy: 1.5222926070443425
Energy: 1.5200568786799935
Energy: 1.5221159949789012
Energy: 1.5222926070428975
Energy: 1.520056878680957
Energy: 1.5221159949808278
Energy: 1.522292607043861
Energy: 1.6026805234547767
Energy: 1.5202570657678924
Energy: 1.5202544419342534
Energy: 1.6026859325403189
Energy: 1.5202570657678924
Energy: 1.5202544419347352
Energy: 1.6026381039625102
Energy: 1.520257065768374
Energy: 1.520254441935217
Energy: 1.6026967627368953
Energy: 1.5202081701343606
Energy: 1.602646032256965
Energy: 1.5203455740608842
Energy: 1.520208170133397
Energy: 1.6026960824528464
Energy: 1.5203455740604024
Energy: 1.5202081701343606
Energy: 1.6026898875831275
Energy: 1.5203455740604024
Energy: 1.5202081701319516
Energy: 1.5201820298525184
Energy: 1.5222774886795958
Energy: 1.5219860244873615
Energy: 1.520182029851555
Energy: 1.5222774886781507
Energy: 1.5219860244878434
Energy: 1.5201820298505915
Energy: 1.5222774886795958
Energy: 1.5219860244878434
Energy: 1.5201820298530002
Energy: 1.521604210724078
Energy: 1.5227728983079176
Energy: 1.5225948318079157
Energy: 1.5216042107245598
Energy: 1.5227728983059905
Energy: 1.5225948318064704
Energy: 1.521604210724078
Energy: 1.5227728983074358
Energy: 1.5225948318088791
Energy: 1.5216042107245598
Energy: 1.520056878679512
Energy: 1.5221159949793828
Energy: 1.5222926070433793
Energy: 1.5200568786799935
Energy: 1.5221159949798646
Energy: 1.5222926070433793
Energy: 1.5200568786799935
Energy: 1.5221159949784193
Energy: 1.5222926070433793
Energy: 1.520056878680957
Energy: 1.5202570657678924
Energy: 1.5202544419356987
Energy: 1.6026962641860556
Energy: 1.520257065768374
Energy: 1.5202544419347352
Energy: 1.6026471856433966
Energy: 1.5202570657678924
Energy: 1.520254441935217
Energy: 1.6026719405755832
Energy: 1.5202570657678924
Energy: 1.6026569265875121
Energy: 1.5203455740599208
Energy: 1.5202081701338785
Energy: 1.6026591509117596
Energy: 1.5203455740613658
Energy: 1.520208170132915
Energy: 1.602661589865839
Energy: 1.5203455740608842
Energy: 1.5202081701338785
Energy: 1.6026711944245393
Energy: 1.5222774886786323
Energy: 1.5219860244878434
Energy: 1.5201820298520365
Energy: 1.5222774886791142
Energy: 1.5219860244878434
Energy: 1.5201820298525184
Energy: 1.5222774886781507
Energy: 1.5219860244878434
Energy: 1.5201820298520365
Energy: 1.5222774886786323
Energy: 1.5227728983069542
Energy: 1.5225948318079157
Energy: 1.521604210724078
Energy: 1.522772898308399
Energy: 1.5225948318074338
Energy: 1.521604210724078
Energy: 1.5227728983059905
Energy: 1.5225948318083973
Energy: 1.521604210724078
Energy: 1.5227728983079176
Energy: 1.5221159949803462
Energy: 1.5222926070433793
Energy: 1.5200568786804751
Energy: 1.5221159949784193
Energy: 1.522292607043861
Energy: 1.5200568786814386
Energy: 1.5221159949803462
Energy: 1.522292607043861
Energy: 1.5200568786799935
Energy: 1.5221159949789012

minimum gb energy = 1.520056878679512 eV
minimum distance =  2.26324035822071 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.5073479073942613
Energy: 1.5720074891468587
Energy: 1.5709211256754985
Energy: 1.5073479073942613
Energy: 1.5720074891403075
Energy: 1.5709211256754985
Energy: 1.5073479073942613
Energy: 1.5720074891490425
Energy: 1.5709211256754985
Energy: 1.5073479073942613
Energy: 1.5321605937938678
Energy: 1.5351531149151048
Energy: 1.500317846589072
Energy: 1.5321605937938678
Energy: 1.5351531149151048
Energy: 1.5003178465912557
Energy: 1.5321605937938678
Energy: 1.5351531149151048
Energy: 1.5003178465912557
Energy: 1.5321605937938678
Energy: 1.5600540873869415
Energy: 1.492808640978373
Energy: 1.7806932318569904
Energy: 1.5600540873869415
Energy: 1.492808640978373
Energy: 1.7806932318569904
Energy: 1.5600540873869415
Energy: 1.492808640978373
Energy: 1.7806932318569904
Energy: 1.5600540873869415
Energy: 1.5052357720431906
Energy: 1.4922528410368328
Energy: 1.4862953543448603
Energy: 1.5052357720431906
Energy: 1.4922528410368328
Energy: 1.4862953543448603
Energy: 1.5052357720431906
Energy: 1.4922528410368328
Energy: 1.4862953543448603
Energy: 1.5052357720431906
Energy: 1.6240349944958632
Energy: 1.5345062357306107
Energy: 1.6007168412068056
Energy: 1.6240349944958632
Energy: 1.5345062357306107
Energy: 1.6007168412068056
Energy: 1.6240349944958632
Energy: 1.5345062357306107
Energy: 1.6007168412068056
Energy: 1.6240349944958632
Energy: 1.5521251634750937
Energy: 1.4974892042890013
Energy: 1.479808163811608
Energy: 1.5521251634772775
Energy: 1.4974892042890013
Energy: 1.479808163811608
Energy: 1.5521251634772775
Energy: 1.4974892042890013
Energy: 1.479808163811608
Energy: 1.5521251634750937
Energy: 1.5147554124899094
Energy: 1.6593892381983733
Energy: 1.5354172047347958
Energy: 1.5147554124899094
Energy: 1.6593892381983733
Energy: 1.5354172047369794
Energy: 1.5147554124899094
Energy: 1.6593892381983733
Energy: 1.5354172047369794
Energy: 1.5147554124899094
Energy: 1.5320402760260863
Energy: 1.6670040683084117
Energy: 1.5984541222010282
Energy: 1.5320402760260863
Energy: 1.6670040683084117
Energy: 1.598454122203212
Energy: 1.5320402760260863
Energy: 1.667004068306228
Energy: 1.598454122203212
Energy: 1.5320402760260863
Energy: 1.900021459359057
Energy: 1.5089776597470046
Energy: 1.5105268134076995
Energy: 1.9000214593568736
Energy: 1.5089776597491882
Energy: 1.5105268134076995
Energy: 1.9000214593568736
Energy: 1.5089776597470046
Energy: 1.5105268134076995
Energy: 1.9000214593568736
Energy: 1.5286217480911475
Energy: 1.7693785868329255
Energy: 1.5514964845941996
Energy: 1.5286217480911475
Energy: 1.7693785868329255
Energy: 1.5514964845941996
Energy: 1.5286217480911475
Energy: 1.7693785868351093
Energy: 1.5514964845941996
Energy: 1.5286217480911475
Energy: 1.5135370323617618
Energy: 1.4884798048598467
Energy: 1.5873808736358253
Energy: 1.5135370323617618
Energy: 1.4884798048598467
Energy: 1.5873808736358253
Energy: 1.5135370323617618
Energy: 1.4884798048598467
Energy: 1.5873808736358253
Energy: 1.5135370323617618
Energy: 1.559151811750401
Energy: 1.478989682098965
Energy: 1.6947458693596098
Energy: 1.559151811750401
Energy: 1.478989682098965
Energy: 1.6947458693574264
Energy: 1.559151811750401
Energy: 1.478989682098965
Energy: 1.6947458693596098
Energy: 1.5591518117525847
Energy: 1.7552275438916038
Energy: 1.4866227313360778
Energy: 1.6870206075667113
Energy: 1.7552275438916038
Energy: 1.4866227313382616
Energy: 1.6870206075667113
Energy: 1.7552275438916038
Energy: 1.4866227313382616
Energy: 1.6870206075667113
Energy: 1.7552275438916038
Energy: 1.4768550762440893
Energy: 1.4757611498109324
Energy: 1.6868470727975158
Energy: 1.4768550762440893
Energy: 1.4757611498087486
Energy: 1.6868470445987724
Energy: 1.4768550762440893
Energy: 1.4757611498109324
Energy: 1.686847036762775
Energy: 1.4768550762440893
Energy: 1.5744784340589717
Energy: 1.7327705290510742
Energy: 1.487814887639574
Energy: 1.574478434056788
Energy: 1.7327705290510742
Energy: 1.487814887639574
Energy: 1.5744784340589717
Energy: 1.7327705290510742
Energy: 1.487814887639574
Energy: 1.574478434056788
Energy: 1.5114932589718264
Energy: 1.7504483670835722
Energy: 1.6601872282399683
Energy: 1.5114932589718264
Energy: 1.7504483670835722
Energy: 1.6601872282421521
Energy: 1.5114932589718264
Energy: 1.7504483670813884
Energy: 1.6601872282421521
Energy: 1.5114932589718264
Energy: 1.5095947857754937
Energy: 1.5349979538606053
Energy: 1.767340387025383
Energy: 1.5095947857776773
Energy: 1.5349979538584215
Energy: 1.7673403870297504
Energy: 1.509594785779861
Energy: 1.5349979538584215
Energy: 1.7673403870275666
Energy: 1.5095947857776773
Energy: 1.7660494457472344
Energy: 1.528883460098041
Energy: 1.6225706230358694
Energy: 1.7660494457472344
Energy: 1.528883460098041
Energy: 1.6225706230358694
Energy: 1.7660494457472344
Energy: 1.528883460098041
Energy: 1.6225706230358694
Energy: 1.7660494457472344
Energy: 1.5129980042199382
Energy: 1.687588685630409
Energy: 1.6047651873781712
Energy: 1.5129980042199382
Energy: 1.687588685532182
Energy: 1.6047651873781712
Energy: 1.5129980042199382
Energy: 1.6875886856151228
Energy: 1.6047651873781712
Energy: 1.5129980042199382
Energy: 1.657227177708987
Energy: 1.5016344949936413
Energy: 1.547557207140474
Energy: 1.6572271777068035
Energy: 1.5016344949936413
Energy: 1.547557207140474
Energy: 1.6572271777068035
Energy: 1.5016344949936413
Energy: 1.547557207140474
Energy: 1.6572271777068035
Energy: 1.5601031351072776
Energy: 1.5311352960635443
Energy: 1.6878386631491846
Energy: 1.5601031351072776
Energy: 1.5311352960613605
Energy: 1.6878386631491846
Energy: 1.5601031351072776
Energy: 1.5311352960635443
Energy: 1.6878386631491846
Energy: 1.5601031351072776
Energy: 1.5819052097071589
Energy: 1.7561535027351447
Energy: 1.4794417933859567
Energy: 1.5819052097071589
Energy: 1.7561535027351447
Energy: 1.4794417933881403
Energy: 1.5819052097071589
Energy: 1.7561535027373285
Energy: 1.4794417933859567
Energy: 1.5819052097071589
Energy: 1.5118832369151725
Energy: 1.4947858752777285
Energy: 1.5955914180911
Energy: 1.5118832369173563
Energy: 1.4947858752777285
Energy: 1.5955914180911
Energy: 1.5118832369151725
Energy: 1.4947858752777285
Energy: 1.5955914180932838
Energy: 1.5118832369173563
Energy: 1.478767687563895
Energy: 1.4986165637094073
Energy: 1.5018097890965478
Energy: 1.478767687563895
Energy: 1.4986165637094073
Energy: 1.5018097890987319
Energy: 1.478767687563895
Energy: 1.4986165637094073
Energy: 1.5018097890987319
Energy: 1.478767687563895
Energy: 1.6626254242922043
Energy: 1.5112894239751609
Energy: 1.533404229628691
Energy: 1.6626254242943879
Energy: 1.5112894239751609
Energy: 1.533404229628691
Energy: 1.6626254242943879
Energy: 1.5112894239751609
Energy: 1.533404229628691
Energy: 1.6626254242943879
Energy: 1.5349491664936064
Energy: 1.6778736099448561
Energy: 1.563144433453209
Energy: 1.5349491664957897
Energy: 1.6778736099448561
Energy: 1.5631444334510254
Energy: 1.5349491664957897
Energy: 1.6778736099448561
Energy: 1.5631444334510254
Energy: 1.5349491664957897
Energy: 1.5509984889499284
Energy: 1.4865681792324927
Energy: 1.5860705823776913
Energy: 1.5509984889499284
Energy: 1.4865681792324927
Energy: 1.5860705823776913
Energy: 1.5509984889477448
Energy: 1.4865681792324927
Energy: 1.5860705823776913
Energy: 1.5509984889499284
Energy: 1.6637134503786386
Energy: 1.6820164436628393
Energy: 1.6613112331226776
Energy: 1.663713450376455
Energy: 1.6820164436628393
Energy: 1.6613112331226776
Energy: 1.663713450376455
Energy: 1.6820164436628393
Energy: 1.6613112331226776
Energy: 1.6637134503808224
Energy: 1.7628384495100997
Energy: 1.4796078412934746
Energy: 1.5823034665045614
Energy: 1.7628384495122833
Energy: 1.4796078412934746
Energy: 1.5823034665045614
Energy: 1.7628384495122833
Energy: 1.4796078412934746
Energy: 1.5823034665045614
Energy: 1.7628384495122833
Energy: 1.61333657931692
Energy: 1.492045452004192
Energy: 1.701603035641755
Energy: 1.61333657931692
Energy: 1.492045452004192
Energy: 1.701603035641755
Energy: 1.61333657931692
Energy: 1.492045452004192
Energy: 1.701603035641755
Energy: 1.61333657931692
Energy: 1.6623190085887298
Energy: 1.6919046508350184
Energy: 1.4846868738115793
Energy: 1.6623190085821786
Energy: 1.6919046508350184
Energy: 1.4846868738115793
Energy: 1.6623190085778112
Energy: 1.6919046508350184
Energy: 1.4846868738115793
Energy: 1.6623190085887298
Energy: 1.488152807482962
Energy: 1.6455414504468042
Energy: 1.6934863559531503
Energy: 1.488152807482962
Energy: 1.6455414504468042
Energy: 1.693486355955334
Energy: 1.488152807482962
Energy: 1.6455414504468042
Energy: 1.693486355955334
Energy: 1.4881528074807782
Energy: 1.5093628902500664
Energy: 1.6376901879667092
Energy: 1.530916811911962
Energy: 1.5093628902500664
Energy: 1.6376901879667092
Energy: 1.530916811911962
Energy: 1.5093628902500664
Energy: 1.6376901879667092
Energy: 1.530916811911962
Energy: 1.5093628902500664
Energy: 1.5071993631266547
Energy: 1.7263077747986635
Energy: 1.6503375940027103
Energy: 1.5071993631266547
Energy: 1.7263077747986635
Energy: 1.6503375940027103
Energy: 1.5071993631288383
Energy: 1.7263077747986635
Energy: 1.6503375940027103
Energy: 1.5071993631266547
Energy: 1.488012288202743
Energy: 1.7840235268648588
Energy: 1.6415272331894757
Energy: 1.488012288202743
Energy: 1.7840235268692262
Energy: 1.6415272331894757
Energy: 1.488012288202743
Energy: 1.7840235268670424
Energy: 1.6415272331894757
Energy: 1.488012288202743
Energy: 1.4820964458667807
Energy: 1.4853250788377435
Energy: 1.7002752636746088
Energy: 1.4820954870861176
Energy: 1.4853250788377435
Energy: 1.7002752636767924
Energy: 1.482095399392643
Energy: 1.4853250788377435
Energy: 1.7002752636767924
Energy: 1.4820957001470534
Energy: 1.6143386633124175
Energy: 1.6736538746943412
Energy: 1.4787926741566169
Energy: 1.6143386633102337
Energy: 1.6736538746943412
Energy: 1.4787926741566169
Energy: 1.6143386633124175
Energy: 1.6736538746943412
Energy: 1.4787926741566169
Energy: 1.6143386633080499
Energy: 1.7121604291626507
Energy: 1.5880373323482968
Energy: 1.479052378950842
Energy: 1.7121604291626507
Energy: 1.588037332346113
Energy: 1.479052378950842
Energy: 1.7121604291626507
Energy: 1.5880373323482968
Energy: 1.479052378950842
Energy: 1.7121604291626507
Energy: 1.6664466684686803
Energy: 1.6609480382262027
Energy: 1.508616063442549
Energy: 1.6664466684686803
Energy: 1.6609480382262027
Energy: 1.508616063442549
Energy: 1.6664466684686803
Energy: 1.6609480382262027
Energy: 1.508616063442549
Energy: 1.6664466684686803
Energy: 1.9390335892775619
Energy: 1.6134081251190375
Energy: 1.4964169961864862
Energy: 1.9390335892753778
Energy: 1.6134081251190375
Energy: 1.4964169961864862
Energy: 1.9390335892775619
Energy: 1.6134081251190375
Energy: 1.4964169961864862
Energy: 1.9390335892731945
Energy: 1.529661369151566
Energy: 1.5108441923651466
Energy: 1.5357609265914418
Energy: 1.5296613691537497
Energy: 1.510844192362963
Energy: 1.5357609265914418
Energy: 1.529661369151566
Energy: 1.5108441923651466
Energy: 1.5357609265914418
Energy: 1.5296613691537497
Energy: 1.6746058520297995
Energy: 1.5336507006972637
Energy: 1.5121887580767088
Energy: 1.6746058520297995
Energy: 1.5336507006994473
Energy: 1.5121887580767088
Energy: 1.6746058520297995
Energy: 1.5336507006972637
Energy: 1.5121887580767088
Energy: 1.6746058520297995
Energy: 1.935100280771686
Energy: 1.4984822772820674
Energy: 1.6135851366380205
Energy: 1.935100280769502
Energy: 1.4984822772820674
Energy: 1.6135851366380205
Energy: 1.935100280769502
Energy: 1.4984822772820674
Energy: 1.6135851366380205
Energy: 1.935100280771686
Energy: 1.4936702808691518
Energy: 1.9961683823705434
Energy: 1.493174406922391
Energy: 1.4936702808713356
Energy: 1.99616838236836
Energy: 1.493174406922391
Energy: 1.4936702808691518
Energy: 1.9961683823705434
Energy: 1.493174406922391
Energy: 1.4936702808713356
Energy: 1.4897737252862673
Energy: 1.4782548742171535
Energy: 1.7469388136436552
Energy: 1.4897737252862673
Energy: 1.4782548742171535
Energy: 1.7469388136436552
Energy: 1.4897737252862673
Energy: 1.4782548742171535
Energy: 1.7469388136458388
Energy: 1.4897737252862673
Energy: 1.7494975963357515
Energy: 1.5035784624072777
Energy: 1.6606642655061012
Energy: 1.7494975963357515
Energy: 1.5035784624050939
Energy: 1.6606642655039177
Energy: 1.7494975963357515
Energy: 1.5035784624072777
Energy: 1.6606642655061012
Energy: 1.7494975963379353
Energy: 1.5040149069135107
Energy: 1.535742914570863
Energy: 1.486324514449325
Energy: 1.5040149069156943
Energy: 1.5357429145730468
Energy: 1.486324514449325
Energy: 1.5040149069156943
Energy: 1.535742914570863
Energy: 1.486324514449325
Energy: 1.5040149069156943
Energy: 1.4977793356467688
Energy: 1.5677583691555341
Energy: 1.7548483514076902
Energy: 1.4977793356467688
Energy: 1.5677583691555341
Energy: 1.7548483514186086
Energy: 1.4977793356467688
Energy: 1.5677583691555341
Energy: 1.7548483514033226
Energy: 1.4977793356467688
Energy: 1.5077677474220834
Energy: 1.6529419006051806
Energy: 1.6879495155018869
Energy: 1.5077677474220834
Energy: 1.6529419006051806
Energy: 1.6879495155018869
Energy: 1.5077677474242672
Energy: 1.6529419006073645
Energy: 1.6879495155018869
Energy: 1.5077677474220834

minimum gb energy = 1.4757611498087486 eV
minimum distance =  2.20797178340539 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.4278868569697263
Energy: 1.4517587697490792
Energy: 1.459959843356148
Energy: 1.4278868569689307
Energy: 1.4517587697482837
Energy: 1.459959843356148
Energy: 1.4278868569705219
Energy: 1.4517587697490792
Energy: 1.459959843356148
Energy: 1.4278868569689307
Energy: 1.6252507249302561
Energy: 1.3946647752475976
Energy: 1.5835444203562388
Energy: 1.6252507249310517
Energy: 1.3946647752475976
Energy: 1.5835444203554432
Energy: 1.6252507249302561
Energy: 1.3946647752475976
Energy: 1.5835444203554432
Energy: 1.6252507249302561
Energy: 1.5813248358156855
Energy: 1.3833912012722756
Energy: 1.6320069017915266
Energy: 1.604436735270996
Energy: 1.3833912012738667
Energy: 1.7503637640861587
Energy: 1.6044367352686095
Energy: 1.38339120127148
Energy: 1.6320069017923222
Energy: 1.6044367352686095
Energy: 1.5475245720200617
Energy: 1.7158303840001539
Energy: 1.5450010454101446
Energy: 1.5475245720184705
Energy: 1.7158303839985627
Energy: 1.5450010454093488
Energy: 1.5475245720208572
Energy: 1.7158303839985627
Energy: 1.5450010454093488
Energy: 1.5475245720177475
Energy: 1.5538995747291138
Energy: 1.4113594526169546
Energy: 1.7462221460056522
Energy: 1.5538995747283182
Energy: 1.4113594526169546
Energy: 1.746222146004061
Energy: 1.5538995747291138
Energy: 1.4113594526169546
Energy: 1.746222146004061
Energy: 1.5538995747283182
Energy: 1.5534029496779524
Energy: 1.6691683286852197
Energy: 1.395056295981542
Energy: 1.553402949678748
Energy: 1.6691683286852197
Energy: 1.3950562959799506
Energy: 1.5534029496779524
Energy: 1.669168328686015
Energy: 1.3950562959807462
Energy: 1.553402949678748
Energy: 1.6573583875335702
Energy: 1.5050799315890384
Energy: 1.3834939151827936
Energy: 1.6573583875335702
Energy: 1.4269981442124806
Energy: 1.383493915181998
Energy: 1.6573583875335702
Energy: 1.4269981442124806
Energy: 1.3834939151827936
Energy: 1.6573583875335702
Energy: 1.5226384313611554
Energy: 1.672038623491812
Energy: 1.5388353109210935
Energy: 1.522638431361951
Energy: 1.6720386234902211
Energy: 1.538835310920298
Energy: 1.5226384313611554
Energy: 1.672038623491812
Energy: 1.5388353109210935
Energy: 1.5226384313611554
Energy: 1.630239787495132
Energy: 1.411690368951818
Energy: 1.4112270934738433
Energy: 1.6302397874927452
Energy: 1.411690368951818
Energy: 1.4112270934754347
Energy: 1.6302397874943364
Energy: 1.411690368951818
Energy: 1.4112270934746391
Energy: 1.6302397874927452
Energy: 1.5426407125460095
Energy: 1.5985327964371934
Energy: 1.575129913291629
Energy: 1.542640712545214
Energy: 1.5985327964356022
Energy: 1.5751298533623757
Energy: 1.542640712545214
Energy: 1.5985327964371934
Energy: 1.5751297929536163
Energy: 1.542640712545214
Energy: 1.5111348679123477
Energy: 1.3959689203939833
Energy: 1.5307362464397472
Energy: 1.5111348679131436
Energy: 1.3959689203939833
Energy: 1.5307362464405425
Energy: 1.5111348679123477
Energy: 1.3959689203931875
Energy: 1.5307362464397472
Energy: 1.5111348679131436
Energy: 1.5917590661582053
Energy: 1.394700436801797
Energy: 1.4311550263498796
Energy: 1.5917590661590009
Energy: 1.3947004368025924
Energy: 1.4311550262615724
Energy: 1.5917590661582053
Energy: 1.3947004368025924
Energy: 1.4311550263339683
Energy: 1.5917590661590009
Energy: 1.4121909873984626
Energy: 1.501521475721079
Energy: 1.4114481421750116
Energy: 1.412190987397667
Energy: 1.501521475721079
Energy: 1.4114481421758072
Energy: 1.4121909873992582
Energy: 1.5015214757218744
Energy: 1.4114481421750116
Energy: 1.412190987397667
Energy: 1.423623854891517
Energy: 1.4470442882942522
Energy: 1.5638858839297358
Energy: 1.4236238548931082
Energy: 1.4470442882918655
Energy: 1.5638858839305316
Energy: 1.4236238548923126
Energy: 1.4470442882942522
Energy: 1.5638858839297358
Energy: 1.4236238548931082

minimum gb energy = 1.38339120127148 eV
minimum distance =  2.20832813198091 Angstroms
sigma value = 33