Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_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=3.5213917642831802
cohesive_energy=4.4503499778548585
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: 0.02052220904471651
Energy: 0.5198518181052105
Energy: 0.5198518181052105
Energy: 0.02052220904471651
Energy: 0.5198518181052105
Energy: 0.5198518181052105
Energy: 0.02052220904471651
Energy: 0.5198518181036872
Energy: 0.5198518181036872
Energy: 0.02052220904471651
Energy: 1.7913708451082124
Energy: 0.023960405028635456
Energy: 0.5171165252491329
Energy: 1.791370853854649
Energy: 0.023960405028635456
Energy: 0.5171165252491329
Energy: 1.7913708348954152
Energy: 0.023960405028635456
Energy: 0.5171165252476095
Energy: 1.791370857283785
Energy: 2.1226178369318993
Energy: 0.3773987862527908
Energy: 0.564235160730783
Energy: 2.1226178369318993
Energy: 0.3773987862527908
Energy: 0.564235160730783
Energy: 2.1226178369318993
Energy: 0.3773987862527908
Energy: 0.564235160730783
Energy: 2.1226178369318993
Energy: 1.7913708575700427
Energy: 0.5171165252491329
Energy: 0.023960405028635456
Energy: 1.791370835038544
Energy: 0.5171165252491329
Energy: 0.023960405028635456
Energy: 1.7913708258535805
Energy: 0.5171165252491329
Energy: 0.023960405028635456
Energy: 1.7913708627944518
Energy: 0.02052220904471651
Energy: 0.5198518181052105
Energy: 0.5198518181036872
Energy: 0.02052220904471651
Energy: 0.5198518181052105
Energy: 0.5198518181036872
Energy: 0.02052220904471651
Energy: 0.5198518181036872
Energy: 0.5198518181036872
Energy: 0.02052220904471651
Energy: 1.791370808015072
Energy: 0.023960405028635456
Energy: 0.5171165252491329
Energy: 1.791370790366883
Energy: 0.023960405028635456
Energy: 0.5171165252491329
Energy: 1.791370800969493
Energy: 0.023960405028635456
Energy: 0.5171165252491329
Energy: 1.7913707641199903
Energy: 1.1516172253484978
Energy: 0.02099371484101829
Energy: 0.8713834132517075
Energy: 1.1516172245886755
Energy: 0.02099371484101829
Energy: 0.8713834132517075
Energy: 1.1516172248993075
Energy: 0.02099371484101829
Energy: 0.8713834132517075
Energy: 1.1516172232060666

minimum gb energy = 0.02052220904471651 eV
minimum distance =  2.28653150060339 Angstroms
sigma value = 3


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

Energy: 1.3324910067103037
Energy: 1.548772873154249
Energy: 1.4686012913820092
Energy: 1.2902000812726704
Energy: 1.548772873154249
Energy: 1.4686012913820092
Energy: 1.3324910067103037
Energy: 1.548772873154249
Energy: 1.4686012913820092
Energy: 1.2902000812726704
Energy: 1.5482110724295326
Energy: 1.2750721169479122
Energy: 1.4385518685687881
Energy: 1.5482110719371767
Energy: 1.2750721169479122
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Energy: 1.548211071948371
Energy: 1.2750721169479122
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Energy: 1.548211074320527
Energy: 1.5176234660734391
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Energy: 1.5320926700830138
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Energy: 1.5320926700792823
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Energy: 1.4816480427060155
Energy: 1.5320926700830138
Energy: 1.5441542237626258
Energy: 1.4691767379967076
Energy: 1.4233809669115722
Energy: 1.2902381110946515
Energy: 1.4691767379967076
Energy: 1.4233809669115722
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Energy: 1.4691767379967076
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Energy: 1.2336479712256156
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Energy: 1.5457210694207149
Energy: 1.3126434315681432
Energy: 1.3400472072016198
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Energy: 1.3400472072016198
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Energy: 1.3126434315681432
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Energy: 1.4681540030015259
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Energy: 1.2687203160146923
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Energy: 1.5797545948700815
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Energy: 1.3372086057495856
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Energy: 1.2903990032671029
Energy: 1.5600178240225886
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Energy: 1.5600178240225886
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Energy: 1.4463822525713486
Energy: 1.6624436850559636
Energy: 1.2753040595946377
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Energy: 1.6624436850523001
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Energy: 1.6624436850523001
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Energy: 1.4463822525713486
Energy: 1.4453098964023985
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Energy: 1.7372370354227666
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Energy: 1.3350198686491663
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Energy: 1.471877356926873
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Energy: 1.4363940299373432
Energy: 1.4707830542645492
Energy: 1.6311124731949056
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Energy: 1.2990107274499463
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Energy: 1.2990107274499463
Energy: 1.303445383189708
Energy: 1.5598865683933665
Energy: 1.2312651616178552
Energy: 1.533783966839091
Energy: 1.4343595194332739
Energy: 1.2312651616178552
Energy: 1.533783966839091
Energy: 1.4343595194332739
Energy: 1.2312651616178552
Energy: 1.533783966839091
Energy: 1.4343595194332739
Energy: 1.2312651616178552
Energy: 1.477820009268913
Energy: 1.290222407780522
Energy: 1.4778070686139555
Energy: 1.477820009268913
Energy: 1.290222407780522
Energy: 1.4778070686139555
Energy: 1.4778200092726441
Energy: 1.290222407780522
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Energy: 1.477820009268913
Energy: 1.3061376123139383
Energy: 1.511651542768548
Energy: 1.4283998989257196
Energy: 1.3061376123139383
Energy: 1.511651542768548
Energy: 1.428399898929451
Energy: 1.3061376123139383
Energy: 1.511651542768548
Energy: 1.4283998989257196
Energy: 1.3061376123139383
Energy: 1.4482702407284793
Energy: 1.4346177625024974
Energy: 1.2763117161123017
Energy: 1.4482702407284793
Energy: 1.4346177625024974
Energy: 1.2762955017856383
Energy: 1.4482702407284793
Energy: 1.4346177625024974
Energy: 1.2763117161123017
Energy: 1.4482702407284793
Energy: 1.2902000812726704
Energy: 1.548772873154249
Energy: 1.4686012913820092
Energy: 1.3324910067103037
Energy: 1.548772873154249
Energy: 1.4686012913820092
Energy: 1.2902000812726704
Energy: 1.548772873154249
Energy: 1.4686012913820092
Energy: 1.3324910067103037
Energy: 1.5482110714522832
Energy: 1.2750721169479122
Energy: 1.4385518685687881
Energy: 1.5482110727540384
Energy: 1.2750721169516435
Energy: 1.4385518685687881
Energy: 1.5482110718774722
Energy: 1.2750721169479122
Energy: 1.4385518685687881
Energy: 1.548211074022142
Energy: 1.5441542237626258
Energy: 1.4816480427060155
Energy: 1.5320926700792823
Energy: 1.5176234660734391
Energy: 1.4816480427060155
Energy: 1.5320926700792823
Energy: 1.5441542237626258
Energy: 1.4816480427060155
Energy: 1.5320926700792823
Energy: 1.5176234660734391
Energy: 1.4691767379967076
Energy: 1.4233809669115722
Energy: 1.2902381110946515
Energy: 1.4691767379967076
Energy: 1.4233809669115722
Energy: 1.2902381110946515
Energy: 1.4691767379967076
Energy: 1.4233809669115722
Energy: 1.2902381110946515
Energy: 1.4691767379967076

minimum gb energy = 1.2312651616178552 eV
minimum distance =  2.20502698212016 Angstroms
sigma value = 75


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

Energy: 1.4598192491523851
Energy: 1.258789591590887
Energy: 1.2649766534438107
Energy: 1.3978731779917881
Energy: 1.2587895915890663
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minimum gb energy = 1.2564561518426138 eV
minimum distance =  2.19090220538579 Angstroms
sigma value = 105


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

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Energy: 1.410457042779221
Energy: 1.4516664722322363
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Energy: 1.4340611858821113
Energy: 1.4575113473243786
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Energy: 1.4340611858862198
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Energy: 1.4575113473223245
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Energy: 1.4340611858821113
Energy: 1.638921368571773
Energy: 1.458962863473597
Energy: 1.5259021512469706
Energy: 1.6389213685738273
Energy: 1.4592006360038934
Energy: 1.525902151249025
Energy: 1.6389213685758812
Energy: 1.4589628634715428
Energy: 1.525902151251079
Energy: 1.6389213685738273
Energy: 1.4775527324035531
Energy: 1.4379945044328777
Energy: 1.3788058591816916
Energy: 1.4775527324035531
Energy: 1.4379945044349318
Energy: 1.3788058591816916
Energy: 1.4775527324014988
Energy: 1.4379945044328777
Energy: 1.3788058591796748
Energy: 1.4775527324014988
Energy: 1.4853694970579097
Energy: 1.5387996109600772
Energy: 1.4422963224321075
Energy: 1.4853694970579097
Energy: 1.5387961706129174
Energy: 1.4422963224341618
Energy: 1.4853694970579097
Energy: 1.5387996109621314
Energy: 1.4422963224341618
Energy: 1.4853694970579097
Energy: 1.5348320317254283
Energy: 1.4806892717557507
Energy: 1.504893039483749
Energy: 1.5348320317233741
Energy: 1.4806660562004892
Energy: 1.5048930394858029
Energy: 1.5348320317233741
Energy: 1.4806892717536966
Energy: 1.5048930394858029
Energy: 1.5348320317254283
Energy: 1.4868623415453157
Energy: 1.3947755219239228
Energy: 1.551844806033275
Energy: 1.4868623415432618
Energy: 1.3949325140772584
Energy: 1.551844806033275
Energy: 1.4868623415453157
Energy: 1.3947755219239228
Energy: 1.5518448060353291
Energy: 1.4868623415473698

minimum gb energy = 1.3754115409239969 eV
minimum distance =  2.18555822429744 Angstroms
sigma value = 165


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

Energy: 1.2996566618109944
Energy: 1.4241621957058368
Energy: 1.4244092934402475
Energy: 1.2996566618109944
Energy: 1.4241621957058368
Energy: 1.4244092934409527
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Energy: 1.4241621957051316
Energy: 1.4244092934395425
Energy: 1.2996566618109944
Energy: 1.424995084212787
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Energy: 1.3140659589334582
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Energy: 1.459140556481153
Energy: 1.3140659589334582
Energy: 1.4628698371236502
Energy: 1.459140556481153
Energy: 1.3140659589334582
Energy: 1.4628698371285866
Energy: 1.459140556481858
Energy: 1.3583656295652005
Energy: 1.2595374564103636
Energy: 1.3748688730321101
Energy: 1.3583656295652005
Energy: 1.2595374564103636
Energy: 1.3748688730321101
Energy: 1.3583656295652005
Energy: 1.2595374564110688
Energy: 1.3748688730321101
Energy: 1.3583656295644952
Energy: 1.4250409825499362
Energy: 1.4557983315550593
Energy: 1.5794713905228743
Energy: 1.4250409825499362
Energy: 1.4557983315550593
Energy: 1.5794713905228743
Energy: 1.4250409825499362
Energy: 1.4557983315557643
Energy: 1.5794713905228743
Energy: 1.4250409825506414
Energy: 1.2996566618109944
Energy: 1.4241621957058368
Energy: 1.4244092934395425
Energy: 1.2996566618109944
Energy: 1.4241621957051316
Energy: 1.4244092934381318
Energy: 1.2996566618116354
Energy: 1.4241621957058368
Energy: 1.424409293438837
Energy: 1.2996566618109944

minimum gb energy = 1.2595374564103636 eV
minimum distance =  2.28161972069883 Angstroms
sigma value = 41


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

Energy: 1.2890815674813123
Energy: 1.373299557561608
Energy: 1.3879485718480513
Energy: 1.2512195021471353
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Energy: 1.3879485718480513
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Energy: 1.3060160008647304
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Energy: 1.2303187372410798
Energy: 1.3060160008674662
Energy: 1.2704081560531006
Energy: 1.2303187372383437
Energy: 1.3060160008647304
Energy: 1.2585893648190134
Energy: 1.2303187372383437
Energy: 1.2781943166404253
Energy: 1.3003746111470105
Energy: 1.1301678136485076
Energy: 1.2781943166404253
Energy: 1.300374626279011
Energy: 1.1304510795952982
Energy: 1.2781943166404253
Energy: 1.3003746357634989
Energy: 1.1301678136485076
Energy: 1.278194316643161
Energy: 1.1588796826670584
Energy: 1.5660310412796479
Energy: 1.1863073622974034
Energy: 1.1588796826697947
Energy: 1.5660310412796479
Energy: 1.1863073622946672
Energy: 1.1588796826697947
Energy: 1.5660310412932785
Energy: 1.1863073622946672
Energy: 1.1588796826670584
Energy: 1.1835329901920815
Energy: 1.1606199087425728
Energy: 1.1545295220844516
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Energy: 1.1606199087398366
Energy: 1.1545295220817156
Energy: 1.1835329901948177
Energy: 1.1606199087398366
Energy: 1.1545295220789795
Energy: 1.1835329901893454
Energy: 1.2462308145747898
Energy: 1.3236057434882689
Energy: 1.2240117017364156
Energy: 1.2462308145775258
Energy: 1.3236057434882689
Energy: 1.2240117017364156
Energy: 1.2462308145775258
Energy: 1.3236057434910047
Energy: 1.2240117017336793
Energy: 1.2462308145747898
Energy: 1.3565974717083664
Energy: 1.2812742070598198
Energy: 1.2683537958552273
Energy: 1.3565974717056302
Energy: 1.2812742070598198
Energy: 1.2683537958606994
Energy: 1.3565974717056302
Energy: 1.2812742070570835
Energy: 1.2683537958606994
Energy: 1.3565974717056302
Energy: 1.374422706451425
Energy: 1.3863801229704158
Energy: 1.2521833258117108
Energy: 1.374422706454161
Energy: 1.3863801229704158
Energy: 1.2521833258117108
Energy: 1.374422706454161
Energy: 1.386380122973152
Energy: 1.2521833258171828
Energy: 1.374422706454161
Energy: 1.2679069499359616
Energy: 1.3680645264203108
Energy: 1.2510013337323955
Energy: 1.2679069499359616
Energy: 1.3683616961873826
Energy: 1.2510013337323955
Energy: 1.2679069499332258
Energy: 1.3680645264230467
Energy: 1.2510013337296593
Energy: 1.2679069499359616
Energy: 1.1401957375651075
Energy: 1.1521951439179852
Energy: 1.1501122700366129
Energy: 1.1401957375651075
Energy: 1.1522460120299258
Energy: 1.1503829089009663
Energy: 1.1401957375678435
Energy: 1.1521951439179852
Energy: 1.1501122700393491
Energy: 1.1401957375678435
Energy: 1.2768842806062954
Energy: 1.1569216776403115
Energy: 1.1520935737448512
Energy: 1.2768842806090317
Energy: 1.1568954713904405
Energy: 1.1520935737448512
Energy: 1.2768842806172398
Energy: 1.1569216776403115
Energy: 1.1520935737448512
Energy: 1.2768842806117677
Energy: 1.5663297355016506
Energy: 1.2018268676013213
Energy: 1.3421427258017706
Energy: 1.5663297355016506
Energy: 1.201822998522755
Energy: 1.3421427257990346
Energy: 1.5663297355016506
Energy: 1.201826867604057
Energy: 1.3421427258017706
Energy: 1.5663297354989143
Energy: 1.2664188751170147
Energy: 1.2561314946085431
Energy: 1.1328755179493413
Energy: 1.2664188738917992
Energy: 1.2561314946085431
Energy: 1.1328755179493413
Energy: 1.266418874061386
Energy: 1.2561314946085431
Energy: 1.1328755179493413
Energy: 1.2664188733393602

minimum gb energy = 1.1288532099812207 eV
minimum distance =  2.1949498109667 Angstroms
sigma value = 185


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

Energy: 0.6943966926003804
Energy: 0.5626661843058107
Energy: 0.5627302241707958
Energy: 0.39322901506468844
Energy: 0.5626661843071099
Energy: 0.5627302241701462
Energy: 0.6943966926016795
Energy: 0.5626661843055154
Energy: 0.562730224171091
Energy: 0.39322901506504276
Energy: 0.6531895980868484
Energy: 0.5943294266740974
Energy: 0.9245107504619675
Energy: 0.6258935377644126
Energy: 0.5943294266721486
Energy: 0.9240541440782951
Energy: 0.6531895980881475
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Energy: 0.9245107504587198
Energy: 0.6258935377663613
Energy: 0.4795908816130453
Energy: 0.5945600480396244
Energy: 0.48025693436612304
Energy: 0.4796579913151637
Energy: 0.5945600480389748
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Energy: 0.4796579913151637
Energy: 0.717347999150672
Energy: 0.5629640950271854
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Energy: 0.5627285098399638
Energy: 1.269201830713351
Energy: 0.4364552534024165
Energy: 0.5627285098432117
Energy: 1.2692018307137054
Energy: 0.4797092996469866
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Energy: 1.269201830713351
Energy: 0.4364552534034204
Energy: 0.5627285098402591
Energy: 0.787993903664179
Energy: 0.9726932451945332
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Energy: 0.7879939036638247
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Energy: 0.6257082898254335
Energy: 0.7879939036631751
Energy: 0.9726932451951825
Energy: 0.6257082898257879
Energy: 0.7879939036635294
Energy: 0.5628720806571583
Energy: 0.6386400547296905
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Energy: 0.562872080656804
Energy: 0.5727757027037567
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Energy: 0.6386400547300448
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Energy: 0.787770020686957
Energy: 0.47963433938191513
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Energy: 0.7877700206866617
Energy: 0.43645132632826644
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Energy: 0.4796343393789625
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Energy: 0.7877700206876065
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Energy: 0.5860018801362037
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Energy: 0.6561267888403768
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Energy: 0.47966326345384935
Energy: 0.48046326809496726
Energy: 0.5948465857975832
Energy: 0.47965565317487213
Energy: 0.48048109317625953
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Energy: 0.4804632680940224
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Energy: 0.479655653175817
Energy: 0.6514227860701776
Energy: 0.7386919870622405
Energy: 0.5943328379248458
Energy: 0.6259294303301159
Energy: 0.738691987060587
Energy: 0.5943328379241962
Energy: 0.6514227860691736
Energy: 0.738691987059288
Energy: 0.5943328379245505
Energy: 0.6259294303291711
Energy: 0.6513630092079642
Energy: 0.5626661843058107
Energy: 0.5627302241704414
Energy: 0.39322901506468844
Energy: 0.5626661843071099
Energy: 0.5627302241704414
Energy: 0.6513630092086138
Energy: 0.5626661843048658
Energy: 0.5627302241707958
Energy: 0.39322901506468844
Energy: 0.6531895980868484
Energy: 0.594329426673802
Energy: 0.9136801767798595
Energy: 0.6258935377647078
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Energy: 0.9240541440779998
Energy: 0.6531895980878522
Energy: 0.5943294266718533
Energy: 0.9136801767762573
Energy: 0.6258935377657117
Energy: 0.4795908816130453
Energy: 0.5945600480396244
Energy: 0.4803433996559062
Energy: 0.47964691392612696
Energy: 0.5945600480386205
Energy: 0.4803512403773577
Energy: 0.4795908816152893
Energy: 0.5945600480389748
Energy: 0.4803433996529537
Energy: 0.4796469139280757
Energy: 0.7173479991503768
Energy: 0.5629640950275397
Energy: 0.6308133625780905
Energy: 0.7173479991510264
Energy: 0.5629640950262406
Energy: 0.6308133625771456
Energy: 0.717347999149373
Energy: 0.5629640950258863
Energy: 0.630813362576496
Energy: 0.717347999149373
Energy: 0.5627285098402591
Energy: 1.269201830713056
Energy: 0.4364552534024165
Energy: 0.5627285098432117
Energy: 1.269201830713351
Energy: 0.4797092996469866
Energy: 0.5627285098425621
Energy: 1.269201830713351
Energy: 0.43645525340371566
Energy: 0.5627285098402591
Energy: 0.787993903664179
Energy: 0.9726932451935884
Energy: 0.6257082898264374
Energy: 0.7879939036638247
Energy: 0.8723451957355117
Energy: 0.6257082898251383
Energy: 0.7879939036635294
Energy: 0.9726932451945332
Energy: 0.6257082898260831
Energy: 0.7879939036631751
Energy: 0.5628720806571583
Energy: 0.6386400547293952
Energy: 0.7382769000777393
Energy: 0.562872080656804
Energy: 0.5727757027034024
Energy: 0.7382769000796879
Energy: 0.5628720806581031
Energy: 0.6386400547296905
Energy: 0.7382769000774441
Energy: 0.5628720806584575
Energy: 0.787770020686957
Energy: 0.47963433938191513
Energy: 0.5627684886139526
Energy: 0.7877700206863074
Energy: 0.4364580024440275
Energy: 0.562768488613303
Energy: 0.7877700206866617
Energy: 0.479634339378313
Energy: 0.5627684886123581
Energy: 0.787770020686957
Energy: 0.6561267888400815
Energy: 0.5860018801368532
Energy: 0.5629411984364715
Energy: 0.5621341677519668
Energy: 0.6188097139658183
Energy: 0.5629411984358219
Energy: 0.6561267888400815
Energy: 0.586001880135554
Energy: 0.5629411984351724
Energy: 0.5621341677487188
Energy: 0.4796632634548533
Energy: 0.48046326809532147
Energy: 0.5948465857978785
Energy: 0.4795756564940854
Energy: 0.48037069863863757
Energy: 0.5948465857962841
Energy: 0.47966326345550286
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Energy: 0.5948465857959299
Energy: 0.47957565649343586
Energy: 0.6514227860704728
Energy: 0.7386919870622405
Energy: 0.5943328379241962
Energy: 0.6259294303294664
Energy: 0.738691987060587
Energy: 0.5943328379235466
Energy: 0.6514227860691736
Energy: 0.7386919870596423
Energy: 0.5943328379245505
Energy: 0.6259294303291711
Energy: 0.6943966926010299
Energy: 0.5626661843058107
Energy: 0.5627302241704414
Energy: 0.39322901506504276
Energy: 0.5626661843071099
Energy: 0.5627302241704414
Energy: 0.6943966926016795
Energy: 0.5626661843055154
Energy: 0.562730224171091
Energy: 0.39322901506504276
Energy: 0.6531895980868484
Energy: 0.594329426673802
Energy: 0.9245107504622628
Energy: 0.6258935377647078
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Energy: 0.9240541440779998
Energy: 0.6531895980881475
Energy: 0.5943294266721486
Energy: 0.9245107504587198
Energy: 0.6258935377657117
Energy: 0.4795908816133405
Energy: 0.5945600480392702
Energy: 0.4802569343658277
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Energy: 0.4803512403773577
Energy: 0.4795908816152893
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Energy: 0.48025693436417427
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Energy: 0.717347999150672
Energy: 0.5629640950271854
Energy: 0.6308133625780905
Energy: 0.717347999150672
Energy: 0.5629640950265359
Energy: 0.6308133625774409
Energy: 0.717347999149373
Energy: 0.5629640950252367
Energy: 0.630813362576496
Energy: 0.717347999149373
Energy: 0.5627285098402591
Energy: 1.269201830713351
Energy: 0.4364552534027708
Energy: 0.5627285098432117
Energy: 1.269201830713056
Energy: 0.47970929964633696
Energy: 0.5627285098425621
Energy: 1.269201830713056
Energy: 0.4364552534034204
Energy: 0.5627285098402591
Energy: 0.787993903664179
Energy: 0.9726932451893365
Energy: 0.6257082898257879
Energy: 0.7879939036635294
Energy: 0.8723451957365156
Energy: 0.6257082898257879
Energy: 0.7879939036635294
Energy: 0.9726932451912853
Energy: 0.6257082898260831
Energy: 0.7879939036628799
Energy: 0.5628720806574536
Energy: 0.6386400547296905
Energy: 0.7382769000783888
Energy: 0.562872080656804
Energy: 0.572775702703107
Energy: 0.7382769000796879
Energy: 0.5628720806581031
Energy: 0.6386400547300448
Energy: 0.7382769000780935
Energy: 0.5628720806584575
Energy: 0.7877700206873113
Energy: 0.47963433938250566
Energy: 0.5627684886143067
Energy: 0.7877700206863074
Energy: 0.43645132632856176
Energy: 0.5627684886136571
Energy: 0.7877700206866617
Energy: 0.4796343393789625
Energy: 0.5627684886123581
Energy: 0.7877700206876065
Energy: 0.6561267888403768
Energy: 0.5860018801368532
Energy: 0.5629411984358219
Energy: 0.5620581506001114
Energy: 0.6189250705692213
Energy: 0.5629411984361172
Energy: 0.6561267888407311
Energy: 0.5860018801358493
Energy: 0.5629411984351724
Energy: 0.5620581506010563
Energy: 0.47966326345449894
Energy: 0.48046326809496726
Energy: 0.5948465857975832
Energy: 0.47965565317487213
Energy: 0.48048109317625953
Energy: 0.5948465857959299
Energy: 0.47966326345514854
Energy: 0.48046326809431766
Energy: 0.5948465857962841
Energy: 0.4796556531751674
Energy: 0.6514227860704728
Energy: 0.7386919870625357
Energy: 0.5943328379248458
Energy: 0.6259294303304702
Energy: 0.738691987060587
Energy: 0.5943328379235466
Energy: 0.6514227860691736
Energy: 0.738691987059288
Energy: 0.5943328379245505
Energy: 0.6259294303291711

minimum gb energy = 0.39322901506468844 eV
minimum distance =  2.33912715065227 Angstroms
sigma value = 33


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

Energy: 1.1266129747418239
Energy: 1.178259639238235
Energy: 1.1786219083065357
Energy: 1.0857950066916198
Energy: 1.178259639238235
Energy: 1.1786219083047527
Energy: 1.1266129747400409
Energy: 1.178259639236452
Energy: 1.1786219083029696
Energy: 1.0857950066916198
Energy: 1.278632116375212
Energy: 1.025257871373742
Energy: 1.1326612780359546
Energy: 1.278632116375212
Energy: 1.025257871375525
Energy: 1.1326612780377376
Energy: 1.278632116376995
Energy: 1.025257871371959
Energy: 1.1326612780377376
Energy: 1.278632116376995
Energy: 1.1407371445045702
Energy: 1.085246595213182
Energy: 1.1589817979108983
Energy: 1.1407371445027874
Energy: 1.085246595211399
Energy: 1.1589817979108983
Energy: 1.1407371445045702
Energy: 1.085246595211399
Energy: 1.158981797914464
Energy: 1.1407371445045702
Energy: 1.3274516903039353
Energy: 1.0273632092172065
Energy: 1.2981462812800406
Energy: 1.3274516903057183
Energy: 1.0273632092189895
Energy: 1.2981462812800406
Energy: 1.3274516903039353
Energy: 1.0273632092189895
Energy: 1.2981462812782576
Energy: 1.3274516903021523
Energy: 1.2704647173141652
Energy: 1.1288980651716705
Energy: 1.0615354130006036
Energy: 1.2704647173123822
Energy: 1.1288980651681044
Energy: 1.0615354130006036
Energy: 1.2704647173105992
Energy: 1.1288980651681044
Energy: 1.0615354130023866
Energy: 1.2704647173123822
Energy: 1.155514666742644
Energy: 1.1946645723434208
Energy: 1.2293355149469711
Energy: 1.155514666744427
Energy: 1.1946645723416378
Energy: 1.2293355149451881
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Energy: 1.155514666742644
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Energy: 1.1461635612898564
Energy: 1.193878830912445
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Energy: 1.193878830908879
Energy: 1.016824406675722
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Energy: 1.193878830910662
Energy: 1.0168370329523801
Energy: 1.1547315180760025
Energy: 1.0790773531918731
Energy: 1.1735022809525504
Energy: 1.1547315180742197
Energy: 1.0790773531918731
Energy: 1.1735022809525504
Energy: 1.1547315180760025
Energy: 1.079077353193656
Energy: 1.1735022809525504
Energy: 1.1547315180742197
Energy: 1.1546817309966044
Energy: 1.0257184875344356
Energy: 1.160710660779542
Energy: 1.1546817309966044
Energy: 1.0257184875344356
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Energy: 1.1546817309966044
Energy: 1.0257184875362184
Energy: 1.160710660779542
Energy: 1.1546817309966044
Energy: 1.1578511741228756
Energy: 1.0263097166189432
Energy: 1.3039785530531522
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Energy: 1.0263097166171602
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Energy: 1.0263097166171602
Energy: 1.3039785530531522
Energy: 1.1578511741228756
Energy: 1.1630789698722708
Energy: 1.1618261850013467
Energy: 1.0626830524239443
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Energy: 1.1618261850013467
Energy: 1.0626796451116887
Energy: 1.1630789698740538
Energy: 1.1618261849995637
Energy: 1.0626830524221613
Energy: 1.1630789698722708
Energy: 1.0250266375518884
Energy: 1.1556191241370517
Energy: 1.274177782443336
Energy: 1.0250266375554544
Energy: 1.1506595123115428
Energy: 1.231745137769157
Energy: 1.0250266375536714
Energy: 1.1556191241334857
Energy: 1.274177782445119
Energy: 1.0250266375518884
Energy: 1.0461929225368076
Energy: 1.101797783439824
Energy: 1.102132893082249
Energy: 1.0461929225368076
Energy: 1.1014007475853187
Energy: 1.1021948686468475
Energy: 1.0461929225385906
Energy: 1.101797783441607
Energy: 1.102132893084032
Energy: 1.0461929225368076
Energy: 1.0255162900070667
Energy: 1.3082531034372988
Energy: 1.1101036570601015
Energy: 1.0255162900070667
Energy: 1.2984985929083883
Energy: 1.1101036570583185
Energy: 1.0255162900052837
Energy: 1.3082531034390819
Energy: 1.1101036570565355
Energy: 1.0255162900070667
Energy: 1.1798276068497202
Energy: 1.1017497432867087
Energy: 1.3488724293844072
Energy: 1.1798276068515032
Energy: 1.0812418154504402
Energy: 1.3488724293844072
Energy: 1.1798276068497202
Energy: 1.101749743284926
Energy: 1.3488724293844072
Energy: 1.1798276068497202
Energy: 1.165888034585348
Energy: 1.2852684972873307
Energy: 1.0253877069470876
Energy: 1.165888034585348
Energy: 1.2852684972873307
Energy: 1.0253877069453046
Energy: 1.165888034583565
Energy: 1.2852684972855477
Energy: 1.0253877069470876
Energy: 1.165888034585348
Energy: 1.1990667228408318
Energy: 1.2053354221864394
Energy: 1.0870729658370297
Energy: 1.1990667228390488
Energy: 1.205335422189973
Energy: 1.0870729658370297
Energy: 1.1990667228390488
Energy: 1.20533542218819
Energy: 1.0870729658370297
Energy: 1.1990667228390488
Energy: 1.178880066468801
Energy: 1.2104368928848672
Energy: 1.034970702677193
Energy: 1.178880066468801
Energy: 1.2104368928866502
Energy: 1.034970702678976
Energy: 1.178880066467018
Energy: 1.2104368928848672
Energy: 1.034970702678976
Energy: 1.178880066465235
Energy: 1.0613003418694702
Energy: 1.2830189359534103
Energy: 1.1277545589809679
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Energy: 1.290479936422815
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Energy: 1.1681802665082035
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Energy: 1.2279150894481248
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Energy: 1.2279150894499078
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Energy: 1.2279150894499078
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Energy: 1.2014481508174903
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Energy: 1.1416703695605896
Energy: 1.2014481508192734
Energy: 1.254687616526302
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Energy: 1.2014481508192734
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Energy: 1.2014481508157073
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Energy: 1.0608694625120492
Energy: 1.1765984678154775
Energy: 1.1577139446242943
Energy: 1.0608694625120492

minimum gb energy = 0.9822034605558191 eV
minimum distance =  2.20010890116918 Angstroms
sigma value = 219


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

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Energy: 1.487854170537475
Energy: 1.4878123005360813
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Energy: 1.2252059501062096
Energy: 1.4800265003328548
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Energy: 1.5146174345935373
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Energy: 1.459390633685147
Energy: 1.5146174345935373
Energy: 1.3899914946122558
Energy: 1.459390633685147
Energy: 1.5146174345935373

minimum gb energy = 1.2085761394380738 eV
minimum distance =  2.24569672842493 Angstroms
sigma value = 15


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

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Energy: 1.557072686671748
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Energy: 1.554867042447406
Energy: 1.6820033525489586
Energy: 1.390322847985749
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minimum gb energy = 1.3826893474993984 eV
minimum distance =  2.18768360483575 Angstroms
sigma value = 293


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

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Energy: 1.4851772245978192
Energy: 1.4501110578289245
Energy: 1.4792318187886888
Energy: 1.4851772245978192
Energy: 1.4501110578289245
Energy: 1.4792318187913542
Energy: 1.4851772245978192
Energy: 1.4501110578289245
Energy: 1.4792318187886888
Energy: 1.4713985044843951
Energy: 1.6933081304189022
Energy: 1.693383648926318
Energy: 1.4713985044843951
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Energy: 1.6933836489289835
Energy: 1.4713985044843951
Energy: 1.6933081304189022
Energy: 1.693383648926318
Energy: 1.4713985044843951
Energy: 1.4791473632973087
Energy: 1.4499442199824002
Energy: 1.4852747363627814
Energy: 1.4791473632973087
Energy: 1.4499442199824002
Energy: 1.4852747363601162
Energy: 1.4791473632946435
Energy: 1.4499442199824002
Energy: 1.4852747363601162
Energy: 1.4791473632973087
Energy: 1.3707003522740844
Energy: 1.4018692624875497
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Energy: 1.370700352271419
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Energy: 1.3711828922239502
Energy: 1.370700352271419
Energy: 1.4018692624875497
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Energy: 1.3707003522740844
Energy: 1.4716350142424313
Energy: 1.401521689201458
Energy: 1.6733337233921595
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Energy: 1.401521689201458
Energy: 1.6733337233921595
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Energy: 1.5643830589424066
Energy: 1.4050052392477663
Energy: 1.4448709750414437
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Energy: 1.405005239250432
Energy: 1.4448709750414437
Energy: 1.5643830589424066
Energy: 1.4050052392477663
Energy: 1.4448709750414437
Energy: 1.5643830589424066
Energy: 1.6510098459080749
Energy: 1.5185172924824148
Energy: 1.447084979859201
Energy: 1.6510098459080749
Energy: 1.5185172924824148
Energy: 1.4470849798565357
Energy: 1.6510098459080749
Energy: 1.5185172924824148
Energy: 1.4470849798565357
Energy: 1.6510098459080749
Energy: 1.4503905664412164
Energy: 1.5236636908331938
Energy: 1.46308102448432
Energy: 1.4503905664412164
Energy: 1.5236636908331938
Energy: 1.46308102448432
Energy: 1.4503905664385512
Energy: 1.5236636908358594
Energy: 1.46308102448432
Energy: 1.4503905664412164
Energy: 1.5093203538265216
Energy: 1.3749996932809334
Energy: 1.3742890060637645
Energy: 1.5093203538265216
Energy: 1.3749996932782682
Energy: 1.3742890060664301
Energy: 1.5093203538265216
Energy: 1.3749996932782682
Energy: 1.3742890060637645
Energy: 1.5093203538265216
Energy: 1.450335477462775
Energy: 1.4624968991040548
Energy: 1.5236659867856255
Energy: 1.450335477462775
Energy: 1.4624968991040548
Energy: 1.5236659867856255
Energy: 1.450335477462775
Energy: 1.4624968991040548
Energy: 1.5236659867856255
Energy: 1.4503354774654402
Energy: 1.650917391414105
Energy: 1.4473746847452233
Energy: 1.5185557935604117
Energy: 1.650917391414105
Energy: 1.4473746847478886
Energy: 1.5185557935604117
Energy: 1.650917391414105
Energy: 1.4473746847452233
Energy: 1.5185557935604117
Energy: 1.650917391414105
Energy: 1.5648024792447572
Energy: 1.6797630185829622
Energy: 1.4049696160116283
Energy: 1.5648024792447572
Energy: 1.6797630185829622
Energy: 1.4049696160116283
Energy: 1.5648024792447572
Energy: 1.6797630185829622
Energy: 1.4049696160116283
Energy: 1.5648024792447572
Energy: 1.4716406298115043
Energy: 1.6733491056887813
Energy: 1.4014477293473215
Energy: 1.4716406298115043
Energy: 1.6733491056887813
Energy: 1.4014477293473215
Energy: 1.4716406298115043
Energy: 1.6733491056887813
Energy: 1.4014477293473215
Energy: 1.471640629808839

minimum gb energy = 1.370700352271419 eV
minimum distance =  2.19323392878131 Angstroms
sigma value = 293


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

Energy: 1.2671333746033908
Energy: 1.268075229733475
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2652346160637877
Energy: 1.2675753402690562
Energy: 1.2679702220567328
Energy: 1.2652346160637877
Energy: 1.2675753402685745
Energy: 1.2679702220576963
Energy: 1.2652346160637877
Energy: 1.2675753402690562
Energy: 1.267970222056251
Energy: 1.265234616063306
Energy: 1.2648805841568869
Energy: 1.2644438280208714
Energy: 1.4900953249106175
Energy: 1.2648805841573685
Energy: 1.2644438280213528
Energy: 1.490095324911099
Energy: 1.2648805841568869
Energy: 1.2644438280213528
Energy: 1.4900953249120625
Energy: 1.2648805841573685
Energy: 1.4900836432528217
Energy: 1.2644512018861531
Energy: 1.2648707484045512
Energy: 1.4900836432518583
Energy: 1.2644512018856715
Energy: 1.264870748405033
Energy: 1.49008364325234
Energy: 1.2644512018861531
Energy: 1.2648707484045512
Energy: 1.49008364325234
Energy: 1.267828997052527
Energy: 1.2677462364670042
Energy: 1.2651273317613905
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Energy: 1.267828997052045
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Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746033908
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Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297325115
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Energy: 1.2671333746033908
Energy: 1.268075229733475
Energy: 1.2675753402685745
Energy: 1.2679702220576963
Energy: 1.2652346160637877
Energy: 1.2675753402690562
Energy: 1.2679702220572144
Energy: 1.2652346160637877
Energy: 1.2675753402685745
Energy: 1.2679702220572144
Energy: 1.2652346160637877
Energy: 1.2675753402685745
Energy: 1.2644438280213528
Energy: 1.4900953249106175
Energy: 1.2648805841568869
Energy: 1.2644438280213528
Energy: 1.490095324911581
Energy: 1.2648805841568869
Energy: 1.2644438280213528
Energy: 1.490095324911581
Energy: 1.2648805841568869
Energy: 1.2644438280213528
Energy: 1.2644512018861531
Energy: 1.264870748405033
Energy: 1.4900836432513767
Energy: 1.2644512018861531
Energy: 1.2648707484045512
Energy: 1.4900836432528217
Energy: 1.2644512018856715
Energy: 1.2648707484055148
Energy: 1.4900836432528217
Energy: 1.2644512018856715
Energy: 1.2677462364670042
Energy: 1.2651273317613905
Energy: 1.267828997052527
Energy: 1.267746236467486
Energy: 1.2651273317613905
Energy: 1.267828997052045
Energy: 1.2677462364670042
Energy: 1.2651273317613905
Energy: 1.267828997052045
Energy: 1.267746236467486
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746038727
Energy: 1.2680752297325115
Energy: 1.268330709478802
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2683307094797656
Energy: 1.2679702220576963
Energy: 1.2652346160637877
Energy: 1.2675753402685745
Energy: 1.2679702220567328
Energy: 1.2652346160637877
Energy: 1.2675753402690562
Energy: 1.2679702220572144
Energy: 1.265234616063306
Energy: 1.2675753402690562
Energy: 1.267970222056251
Energy: 1.490095324911099
Energy: 1.2648805841578503
Energy: 1.2644438280213528
Energy: 1.4900953249120625
Energy: 1.2648805841568869
Energy: 1.2644438280208714
Energy: 1.490095324911099
Energy: 1.2648805841573685
Energy: 1.2644438280203896
Energy: 1.490095324911581
Energy: 1.264870748405033
Energy: 1.4900836432518583
Energy: 1.2644512018861531
Energy: 1.264870748405033
Energy: 1.49008364325234
Energy: 1.2644512018861531
Energy: 1.2648707484045512
Energy: 1.4900836432508948
Energy: 1.2644512018861531
Energy: 1.264870748405033
Energy: 1.2651273317613905
Energy: 1.267828997052527
Energy: 1.267746236467486
Energy: 1.265127331761872
Energy: 1.267828997052527
Energy: 1.2677462364670042
Energy: 1.265127331762354
Energy: 1.267828997052045
Energy: 1.2677462364670042
Energy: 1.2651273317613905
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297325115
Energy: 1.2683307094797656
Energy: 1.2671333746033908
Energy: 1.265234616064751
Energy: 1.2675753402685745
Energy: 1.267970222056251
Energy: 1.265234616064751
Energy: 1.2675753402685745
Energy: 1.267970222056251
Energy: 1.265234616064751
Energy: 1.2675753402690562
Energy: 1.2679702220576963
Energy: 1.2652346160642693
Energy: 1.2648805841568869
Energy: 1.2644438280208714
Energy: 1.490095324911099
Energy: 1.264880584158332
Energy: 1.2644438280213528
Energy: 1.490095324911581
Energy: 1.2648805841573685
Energy: 1.2644438280213528
Energy: 1.4900953249106175
Energy: 1.2648805841578503
Energy: 1.4900836432513767
Energy: 1.2644512018861531
Energy: 1.2648707484055148
Energy: 1.4900836432518583
Energy: 1.2644512018856715
Energy: 1.264870748405033
Energy: 1.4900836432513767
Energy: 1.2644512018861531
Energy: 1.2648707484045512
Energy: 1.4900836432518583
Energy: 1.267828997052045
Energy: 1.2677462364670042
Energy: 1.265127331761872
Energy: 1.267828997052045
Energy: 1.2677462364670042
Energy: 1.265127331762354
Energy: 1.267828997052527
Energy: 1.2677462364670042
Energy: 1.265127331761872
Energy: 1.267828997052045
Energy: 1.268075229733475
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746038727
Energy: 1.2680752297329931
Energy: 1.2683307094792837
Energy: 1.2671333746033908
Energy: 1.2680752297329931
Energy: 1.2675753402685745
Energy: 1.2679702220557694
Energy: 1.265234616064751
Energy: 1.2675753402690562
Energy: 1.2679702220567328
Energy: 1.2652346160642693
Energy: 1.2675753402690562
Energy: 1.2679702220576963
Energy: 1.2652346160642693
Energy: 1.2675753402690562

minimum gb energy = 1.2644438280203896 eV
minimum distance =  2.27395583808792 Angstroms
sigma value = 15


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

Energy: 1.406783135462199
Energy: 1.5113220972859922
Energy: 1.4175747964738203
Energy: 1.3910022439919596
Energy: 1.511322097244502
Energy: 1.4175747964781877
Energy: 1.406783135462199
Energy: 1.5113220972990549
Energy: 1.4175747964738203
Energy: 1.3910022439919596
Energy: 1.501183184739496
Energy: 1.4334975312990177
Energy: 1.5703599922382756
Energy: 1.501183184739496
Energy: 1.4334975312990177
Energy: 1.5703599922382756
Energy: 1.5011831847351285
Energy: 1.4334975312990177
Energy: 1.570359992236092
Energy: 1.5011831847351285
Energy: 1.4440298542831098
Energy: 1.3902104192939746
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Energy: 1.390210419289647
Energy: 1.79615445882902
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Energy: 1.376618714474854
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Energy: 1.3735875874599255
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Energy: 1.3904989919612338
Energy: 1.373587587457742
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Energy: 1.407825448887002
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Energy: 1.5247428635702291
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Energy: 1.453640695913659
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Energy: 1.6439875446325332
Energy: 1.4743550264623755
Energy: 1.4075598211425884
Energy: 1.6439875446303496
Energy: 1.4743550264645593
Energy: 1.4075556218506653
Energy: 1.6439875446281658
Energy: 1.474355026460192
Energy: 1.4075598211447722
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Energy: 1.4195487962994753
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Energy: 1.4195487962994753
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Energy: 1.3707995134444797
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Energy: 1.4720135550128153
Energy: 1.370798278360416
Energy: 1.495519581242207
Energy: 1.472013555014999
Energy: 1.3707995134444797
Energy: 1.4955195812400233
Energy: 1.4720135550128153
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Energy: 1.3737040135659755
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Energy: 1.3728793265003594
Energy: 1.6619261936574257
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Energy: 1.3728793264981758
Energy: 1.6619261936596093
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Energy: 1.7080365592116593
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Energy: 1.3931905198776735
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Energy: 1.5057084681014945
Energy: 1.3931905198754897
Energy: 1.5698138517567781
Energy: 1.5057084681014945
Energy: 1.3931905198733059
Energy: 1.3926209206533453
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Energy: 1.5878700114601052
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Energy: 1.5878700114557773
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Energy: 1.497551411635368
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Energy: 1.5122510099489226
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Energy: 1.738661505993655
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Energy: 1.3908592081082531
Energy: 1.3917584711810114
Energy: 1.4515389448710634
Energy: 1.391070195259726
Energy: 1.3918147926887086
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Energy: 1.3908592081060696
Energy: 1.391758471185379
Energy: 1.4515389448732472
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Energy: 1.374744705394746
Energy: 1.488763171914231
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Energy: 1.4887631719098637
Energy: 1.3952535875368364
Energy: 1.374744705394746
Energy: 1.488763171914231
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Energy: 1.5303947888749174
Energy: 1.4080439263930273
Energy: 1.4069108178534893
Energy: 1.5303947888727338
Energy: 1.4080439263908433
Energy: 1.4069108178556728
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Energy: 1.4080439263908433
Energy: 1.4069108178534893
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Energy: 1.4077671312820634
Energy: 1.5686584920660984
Energy: 1.4726840114750006
Energy: 1.407773446270696
Energy: 1.5686584920660984
Energy: 1.4726840114750006
Energy: 1.4077671312777356
Energy: 1.568658492068282
Energy: 1.4726840114750006
Energy: 1.407773446270696
Energy: 1.4636825970058949
Energy: 1.4174387381348625
Energy: 1.4811114720115406
Energy: 1.463682597008079
Energy: 1.4174387381348625
Energy: 1.4811114720137242
Energy: 1.4636825970102625
Energy: 1.4174387381348625
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Energy: 1.4636825970102625
Energy: 1.4962291268597299
Energy: 1.5619457607363105
Energy: 1.498180318052163
Energy: 1.4962291268619137
Energy: 1.5619457607341267
Energy: 1.4981803180499789
Energy: 1.4962291268619137
Energy: 1.5619457607384941
Energy: 1.4981803180543465
Energy: 1.4962291268619137
Energy: 1.8105567023833626
Energy: 1.3704886408638481
Energy: 1.5554484826643504
Energy: 1.8134755955623305
Energy: 1.3705037336271753
Energy: 1.5554484826643504
Energy: 1.8105567023811788
Energy: 1.3704886408638481
Energy: 1.555448482666534
Energy: 1.8134755955623305
Energy: 1.5761806643215575
Energy: 1.3726185269838642
Energy: 1.503995802364321
Energy: 1.5761806643193736
Energy: 1.3726185269816806
Energy: 1.503995802364321
Energy: 1.5761806643193736
Energy: 1.3726185269816806
Energy: 1.5039958023665048
Energy: 1.5761806643193736
Energy: 1.6564873257585513
Energy: 1.7353660652872844
Energy: 1.3862832690632432
Energy: 1.6564873257585513
Energy: 1.7353660649533371
Energy: 1.3863118561986798
Energy: 1.6564873257585513
Energy: 1.7353660651825462
Energy: 1.3862832690632432
Energy: 1.6564873257585513
Energy: 1.3984732131362914
Energy: 1.6261212406237946
Energy: 1.4920159454261979
Energy: 1.3984732131362914
Energy: 1.6261212406216106
Energy: 1.4920159454261979
Energy: 1.3984732131362914
Energy: 1.6261212406216106
Energy: 1.4920159454283815
Energy: 1.3984732131362914
Energy: 1.4062867883358023
Energy: 1.479144466327804
Energy: 1.440113173538887
Energy: 1.3904816848128223
Energy: 1.4791444663256201
Energy: 1.440113173538887
Energy: 1.406286788337986
Energy: 1.479144466327804
Energy: 1.440113173538887
Energy: 1.3904816848128223
Energy: 1.407143768722916
Energy: 1.539544095192875
Energy: 1.485837774651711
Energy: 1.3917646851696814
Energy: 1.539544095192875
Energy: 1.474405094988262
Energy: 1.407143768722916
Energy: 1.539544095192875
Energy: 1.4858377746538949
Energy: 1.3917646851674976
Energy: 1.3950630317179562
Energy: 1.6135969872326903
Energy: 1.542519030715914
Energy: 1.3950630317179562
Energy: 1.6135969872305067
Energy: 1.542519030715914
Energy: 1.3950630317201398
Energy: 1.6135969872326903
Energy: 1.5425190307180976
Energy: 1.3950630317201398
Energy: 1.66562306216307
Energy: 1.3868763918662697
Energy: 1.5424909158299973
Energy: 1.66562306216307
Energy: 1.3868763918662697
Energy: 1.5424909157033826
Energy: 1.6656230621652537
Energy: 1.3868763918662697
Energy: 1.5424909156553803
Energy: 1.6656230621652537
Energy: 1.5750546791893456
Energy: 1.4894189723620817
Energy: 1.3729885801989088
Energy: 1.5750546791893456
Energy: 1.489418972359898
Energy: 1.3722882391480262
Energy: 1.5750546791893456
Energy: 1.4894189723642655
Energy: 1.3729885801945414
Energy: 1.5750546791893456
Energy: 1.725635328563249
Energy: 1.585710473233101
Energy: 1.3706773187489527
Energy: 1.7256353285654327
Energy: 1.585710473230917
Energy: 1.3706773187489527
Energy: 1.7256353285654327
Energy: 1.585710473230917
Energy: 1.3706773187467691
Energy: 1.725635328563249
Energy: 1.483489717354155
Energy: 1.4805985714758387
Energy: 1.5446265592067103
Energy: 1.4834897173563386
Energy: 1.4805985714758387
Energy: 1.544626559204527
Energy: 1.4834897173563386
Energy: 1.4805985714714713
Energy: 1.5446265592067103
Energy: 1.483489717354155
Energy: 1.7261074522448088
Energy: 1.5910242587412688
Energy: 1.423329463402029
Energy: 1.7261074522426252
Energy: 1.5910242587412688
Energy: 1.423329463402029
Energy: 1.7261074522426252
Energy: 1.5910242587412688
Energy: 1.423329463402029
Energy: 1.7261074522426252
Energy: 1.4094157115287285
Energy: 1.40818681553869
Energy: 1.4198942786637723
Energy: 1.4094157115308723
Energy: 1.4081868155365065
Energy: 1.4198942786637723
Energy: 1.4094157115287285
Energy: 1.4081868155343227
Energy: 1.4198942786615885
Energy: 1.4094157115265447
Energy: 1.5014754337289804
Energy: 1.3920190431798296
Energy: 1.3914089181632385
Energy: 1.5014754337333476
Energy: 1.3920190431798296
Energy: 1.3914089181654221
Energy: 1.501475433731164
Energy: 1.3920190431798296
Energy: 1.3914089181654221
Energy: 1.5014754337289804
Energy: 1.738448184432126
Energy: 1.3983730176215672
Energy: 1.62983771552085
Energy: 1.7384481844343098
Energy: 1.3983730176215672
Energy: 1.62983771552085
Energy: 1.7384481844364934
Energy: 1.3983730176237512
Energy: 1.6298377155186663
Energy: 1.7384481844343098
Energy: 1.3920002451976228
Energy: 1.56861530508782
Energy: 1.390954815987952
Energy: 1.3920002451976228
Energy: 1.5686153050900036
Energy: 1.390954815987952
Energy: 1.3920002451976228
Energy: 1.56861530508782
Energy: 1.3909548159901355
Energy: 1.3920002451976228
Energy: 1.4206610196611837
Energy: 1.3705401031238589
Energy: 1.6404828433145309
Energy: 1.4206610196590397
Energy: 1.3705404552292155
Energy: 1.6404828433145309
Energy: 1.4206610196590397
Energy: 1.3705401031238589
Energy: 1.6404828433145309
Energy: 1.4206610196611837
Energy: 1.5628639183406146
Energy: 1.380929501860465
Energy: 1.5007043960263147
Energy: 1.562863918338431
Energy: 1.3809295018582814
Energy: 1.5007043960284987
Energy: 1.562863918338431
Energy: 1.3809295018582814
Energy: 1.500704396024131
Energy: 1.5628639183406146
Energy: 1.5481016207694593
Energy: 1.4831121712594035
Energy: 1.388319133726819
Energy: 1.5481016207694593
Energy: 1.4831121712572195
Energy: 1.3883194385803923
Energy: 1.548101620771643
Energy: 1.483112171255036
Energy: 1.388319133726819
Energy: 1.548101620771643
Energy: 1.396575818167259
Energy: 1.4976522269605934
Energy: 1.6838223454947945
Energy: 1.396575818167259
Energy: 1.4976522269605934
Energy: 1.6838223390579152
Energy: 1.3965758181694425
Energy: 1.497652226962777
Energy: 1.6838223351901018
Energy: 1.396575818167259
Energy: 1.3913535774555743
Energy: 1.4783728620554026
Energy: 1.536375992343532
Energy: 1.391353577457758
Energy: 1.478372862053219
Energy: 1.5363759923413485
Energy: 1.391353577457758
Energy: 1.4783728620554026
Energy: 1.5363759923413485
Energy: 1.3913535774533905

minimum gb energy = 1.3690082111033117 eV
minimum distance =  2.20904472914073 Angstroms
sigma value = 437


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

Energy: 1.4035789815219446
Energy: 1.401548857641278
Energy: 1.401358842923789
Energy: 1.4035789815219446
Energy: 1.4015488576404824
Energy: 1.401358842923789
Energy: 1.40357898152274
Energy: 1.4015488576396868
Energy: 1.4013588429229935
Energy: 1.4035789815219446
Energy: 1.6997071666404648
Energy: 1.3750059199884341
Energy: 1.592983614685738
Energy: 1.6997071666412606
Energy: 1.3750059199884341
Energy: 1.592983614684942
Energy: 1.6997071666412606
Energy: 1.3750059199884341
Energy: 1.592983614684942
Energy: 1.6997071666404648
Energy: 1.5557773631145815
Energy: 1.3597756272649166
Energy: 1.70690367304197
Energy: 1.555777363113786
Energy: 1.3597756272649166
Energy: 1.7069036730411742
Energy: 1.555777363113786
Energy: 1.3597756272649166
Energy: 1.70690367304197
Energy: 1.555777363113786
Energy: 1.4534482275476646
Energy: 1.5694615854892053
Energy: 1.4693773574569537
Energy: 1.4534482275460736
Energy: 1.5694615854892053
Energy: 1.4693773574561584
Energy: 1.4534482275476646
Energy: 1.5694615854884095
Energy: 1.4693773574569537
Energy: 1.4534482275476646
Energy: 1.5102335585058078
Energy: 1.4043862589746832
Energy: 1.8219819173829666
Energy: 1.5102335585050122
Energy: 1.4043862589754785
Energy: 1.8219819173829666
Energy: 1.5102335585066036
Energy: 1.4043862589754785
Energy: 1.8219819173829666
Energy: 1.5102335585058078
Energy: 1.5176311576821122
Energy: 1.5078289721747618
Energy: 1.3774817826050958
Energy: 1.5176311576821122
Energy: 1.5078289721747618
Energy: 1.3774817826050958
Energy: 1.5176311576821122
Energy: 1.5078289721755573
Energy: 1.3774817826050958
Energy: 1.5176311576821122
Energy: 1.5286460169591831
Energy: 1.4281160493162535
Energy: 1.3598717165107146
Energy: 1.5286460169591831
Energy: 1.4281160493162535
Energy: 1.3598717165107146
Energy: 1.5286460169591831
Energy: 1.4281160493162535
Energy: 1.3598717165115104
Energy: 1.5286460169591831
Energy: 1.4502850678832768
Energy: 1.562164115061016
Energy: 1.4579428400687686
Energy: 1.4502850678832768
Energy: 1.562164115061016
Energy: 1.4579428400695642
Energy: 1.4502850678832768
Energy: 1.5621641150618117
Energy: 1.4579428400687686
Energy: 1.4502850678832768
Energy: 1.8021613282124604
Energy: 1.5937531408357704
Energy: 1.4046777165729112
Energy: 1.8021613282140516
Energy: 1.5937531408357704
Energy: 1.4046777165729112
Energy: 1.8021613282156426
Energy: 1.5937531408357704
Energy: 1.4046777165737065
Energy: 1.8021613282196205
Energy: 1.4534324000266063
Energy: 1.5394887799823413
Energy: 1.5360813964870208
Energy: 1.4534324000266063
Energy: 1.539488779983137
Energy: 1.5360813964886117
Energy: 1.4534324000266063
Energy: 1.5394887799823413
Energy: 1.5360813964870208
Energy: 1.4534324000274021
Energy: 1.4410059037709377
Energy: 1.4400011223563316
Energy: 1.7083805113485488
Energy: 1.4410059037709377
Energy: 1.4400011223507625
Energy: 1.7083805113477533
Energy: 1.4410059037709377
Energy: 1.4400011223539448
Energy: 1.7083805113477533
Energy: 1.4410059037709377
Energy: 1.5100923968795599
Energy: 1.3808902601672566
Energy: 1.5174352818192292
Energy: 1.5100923969527518
Energy: 1.3808902601672566
Energy: 1.5174352818192292
Energy: 1.5100923968485331
Energy: 1.380890260168052
Energy: 1.5174352818192292
Energy: 1.5100923968811513
Energy: 1.371304877889172
Energy: 1.6708227081992995
Energy: 1.3713149587716014
Energy: 1.371304877889172
Energy: 1.6708227081992995
Energy: 1.3713149587708058
Energy: 1.3713048778899675
Energy: 1.6708227081992995
Energy: 1.3713149587708058
Energy: 1.371304877890763
Energy: 1.676304001559987
Energy: 1.4403373923116656
Energy: 1.5916966477779877
Energy: 1.676304001559987
Energy: 1.4403373923116656
Energy: 1.5916966477763965
Energy: 1.6763040015607826
Energy: 1.4403373923116656
Energy: 1.5916966477787833
Energy: 1.676304001559987

minimum gb energy = 1.3597756272649166 eV
minimum distance =  2.20895113869532 Angstroms
sigma value = 33