Model name: model_name=Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.242432836593572
mass=55.845
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: 0.018592704172344078
Energy: 0.3262824219677277
Energy: 0.3262824219677277
Energy: 0.018592704172344078
Energy: 0.3262824219677277
Energy: 0.3262824219677277
Energy: 0.018592704172344078
Energy: 0.3262824219677277
Energy: 0.3262824219677277
Energy: 0.018592704172344078
Energy: 0.32290058578786807
Energy: 0.02265053760169716
Energy: 0.32298543151561243
Energy: 0.32290058578786807
Energy: 0.022650537600248526
Energy: 0.3229860117972376
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Energy: 0.02265053760169716
Energy: 0.32298574719974427
Energy: 0.32290058578786807
Energy: 0.5796560176033156
Energy: 0.24662787485752802
Energy: 0.27836539237065494
Energy: 0.9735615920497063
Energy: 0.4133264518982725
Energy: 0.01905691458057856
Energy: 0.8065597992597194
Energy: 0.1933654340399366
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Energy: 0.8065647408911056
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Energy: 0.3229851264264414
Energy: 0.02265053760169716
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Energy: 0.3229858762231252
Energy: 0.022650537600248526
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Energy: 0.018592704172344078
Energy: 0.3262824219677277
Energy: 0.3262824219677277
Energy: 0.018592704172344078
Energy: 0.3262824219677277
Energy: 0.3262824219677277
Energy: 0.018592704172344078
Energy: 0.3262824219677277
Energy: 0.3262824219677277
Energy: 0.018592704172344078
Energy: 0.32290058578786807
Energy: 0.022650537600248526
Energy: 0.3229855684768925
Energy: 0.32290058578786807
Energy: 0.02265053760169716
Energy: 0.3229860007143171
Energy: 0.32290058578786807
Energy: 0.02265053760169716
Energy: 0.3229856999821489
Energy: 0.32290058578786807
Energy: 0.8065345355267269
Energy: 0.01905691458057856
Energy: 0.4133264518982725
Energy: 0.8065587453845185
Energy: 0.2599241340975951
Energy: 0.32034380916536936
Energy: 0.8065653411159365
Energy: 0.3091826943159723
Energy: 0.2599241340975951
Energy: 0.8065272669000542

minimum gb energy = 0.018592704172344078 eV
minimum distance =  2.3073789705801 Angstroms
sigma value = 3


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

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Energy: -0.7362319964353422

minimum gb energy = -1.0180086272498867 eV
minimum distance =  2.38045237543326 Angstroms
sigma value = 75


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

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minimum gb energy = 0.07250629637371171 eV
minimum distance =  2.24635345726846 Angstroms
sigma value = 105


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

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Energy: 0.9453883135202089
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Energy: 0.47378507787937674
Energy: 0.7083145354729974
Energy: 0.18427765519977438
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Energy: 0.18427765520172773
Energy: 0.47378507787937674
Energy: 0.7083145354749507
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Energy: 0.4737850778813301
Energy: 0.6198713105654463
Energy: -0.061311606019918224
Energy: 0.7519679200592247
Energy: 0.6198713105654463
Energy: -0.1521913795809124
Energy: 0.7519679200592247
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Energy: -0.061350545411216845
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Energy: 0.6198713105654463
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Energy: 0.7265999607338028
Energy: 0.8376685151810264
Energy: 0.8880420902188711
Energy: 0.7285356557422519
Energy: 0.837668515179073
Energy: 0.8880420902169178
Energy: 0.7265999607338028
Energy: 0.837668515179073
Energy: 0.8880420902130111
Energy: 0.7022095878020952
Energy: 0.70351002467837
Energy: 0.818669361035428
Energy: 0.702209587800142
Energy: 0.7035100246764168
Energy: 0.8186693610373814
Energy: 0.7022095877962352
Energy: 0.70351002467837
Energy: 0.818669361035428
Energy: 0.702209587800142
Energy: -0.26438878128098275
Energy: 0.8578313637120429
Energy: 0.7582199209931431
Energy: -0.26438942382227265
Energy: 0.8305710374746055
Energy: 0.7582199209931431
Energy: -0.26438924390773955
Energy: 0.8578313637120429
Energy: 0.7582199209931431
Energy: -0.2643894850381443
Energy: 0.23636739697855264
Energy: 0.1995585464284348
Energy: 0.24366612065729631
Energy: 0.23636739703519954
Energy: 0.14007528254738916
Energy: 0.24366609869393874
Energy: 0.23636739706055743
Energy: 0.19955863239973307
Energy: 0.24366612333610715
Energy: 0.2363673970195728
Energy: 0.07161473479149288
Energy: 0.7576203330350811
Energy: 0.012544919511168758
Energy: 0.07161473482271082
Energy: 0.7555778415101556
Energy: 0.012544930718369558
Energy: 0.07161473480513074
Energy: 0.7576203330370345
Energy: 0.012544929045102798
Energy: 0.07161473481099077

minimum gb energy = -0.2643894850381443 eV
minimum distance =  2.33270456559945 Angstroms
sigma value = 165


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

Energy: 0.932103855542677
Energy: 0.8971788302654026
Energy: 0.8927741923024566
Energy: 0.932103855542677
Energy: 0.8971788302667438
Energy: 0.892711319167349
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Energy: 0.8971788302694261
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Energy: 0.932103855542677
Energy: 0.8984755067913166
Energy: 0.9081464733244656
Energy: 0.9273440332685291
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Energy: 0.9081464733251362
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Energy: 0.9273424857322271
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Energy: 0.8779213965607302
Energy: 0.8779688113911771
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Energy: 0.8779687870985132
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Energy: 0.8779687826450765
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Energy: 0.8779213965600596
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Energy: 0.8884764193599262
Energy: 0.8942230259025122
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Energy: 0.8942122748964417
Energy: 0.9078870331047487
Energy: 0.8805687880820946
Energy: 0.9380357383524428
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Energy: 0.9380357254607523
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Energy: 0.8894535653742591
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Energy: 0.8944907030545765
Energy: 0.8894535653736495
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Energy: 0.889453565372979
Energy: 0.9205963204293451
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Energy: 0.875698731036916
Energy: 0.9205963204293451
Energy: 0.9079599197903659
Energy: 0.875698731036916
Energy: 0.9205963204293451
Energy: 0.9079599197903659
Energy: 0.8756987310362453
Energy: 0.9205963204293451
Energy: 0.8777933083328014
Energy: 0.8524290154436698
Energy: 0.878427583729146
Energy: 0.8777933083321309
Energy: 0.8524290154436698
Energy: 0.8784277372732181
Energy: 0.8777933083334721
Energy: 0.8524290154436698
Energy: 0.8784287802423826
Energy: 0.8777933083328014
Energy: 0.8979026263433179
Energy: 0.9275746695411647
Energy: 0.908068542922175
Energy: 0.8979026263433179
Energy: 0.9275843845356054
Energy: 0.9080685429215042
Energy: 0.8979026263439884
Energy: 0.9275819836841616
Energy: 0.908068542922175
Energy: 0.8979026263433179
Energy: 0.932103855542677
Energy: 0.8971788302774731
Energy: 0.8923032383503087
Energy: 0.932103855542677
Energy: 0.897178830264732
Energy: 0.8927350719307581
Energy: 0.932103855542677
Energy: 0.8971788302714379
Energy: 0.8927903810177845
Energy: 0.932103855542677

minimum gb energy = 0.8524190382061161 eV
minimum distance =  2.36121092280416 Angstroms
sigma value = 41


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

Energy: 0.7878685290381375
Energy: 0.7744862902628968
Energy: 0.7244627029668712
Energy: 0.7209444142386827
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Energy: 0.726129587730027
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Energy: 0.7272849355204286
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Energy: 0.727227607049095
Energy: 0.7400416478251427
Energy: 0.7513429564417958
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Energy: 0.7164500558807972
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Energy: 0.7685592484333534
Energy: 0.717330277274361
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Energy: 0.7446962721921725
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Energy: 0.9048078722071332
Energy: 0.6704742491639252
Energy: 0.7718149537136124
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Energy: 0.6704742491639252
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Energy: 0.7369876792559326
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Energy: 0.7635691139360685
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Energy: 0.782107763431546
Energy: 0.6647717823829757
Energy: 0.7457293279699914
Energy: 0.7821077634289443
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Energy: 0.7457293279674369
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Energy: 0.6647717823829757
Energy: 0.7457293279699914
Energy: 0.782107763431546
Energy: 0.7733258835435922
Energy: 0.72168245918507
Energy: 0.7921727105263175
Energy: 0.7733258835409903
Energy: 0.72168245918507
Energy: 0.7220982212957628
Energy: 0.7733258835409903
Energy: 0.72168245918507
Energy: 0.7921727105263175
Energy: 0.7733258835435922
Energy: 0.6622305185669304
Energy: 0.7833921908984248
Energy: 0.8151056793812094
Energy: 0.6622305185669304
Energy: 0.8362556166963063
Energy: 0.7464492655903671
Energy: 0.6622305185669304
Energy: 0.7833921908984248
Energy: 0.8151056793812094
Energy: 0.6622305185669304
Energy: 0.6666604424415955
Energy: 0.7568565400674998
Energy: 0.7388351979071406
Energy: 0.6666604424415955
Energy: 0.7568566285735603
Energy: 0.7466841194801207
Energy: 0.6666604424415955
Energy: 0.756856540064898
Energy: 0.7388351979071406
Energy: 0.6666604424415955
Energy: 0.6878181476977427
Energy: 0.7373818233453898
Energy: 0.7679176477280256
Energy: 0.6878181476977427
Energy: 0.7396174098850457
Energy: 0.7679176477280256
Energy: 0.6878181476977427
Energy: 0.737381823342788
Energy: 0.7679176477280256
Energy: 0.6878181476977427
Energy: 0.7869124814053106
Energy: 0.7157472650680236
Energy: 0.804593908286943
Energy: 0.7869124814027086
Energy: 0.7156727917984551
Energy: 0.8045939082843411
Energy: 0.7869124814053106
Energy: 0.7157472650680236
Energy: 0.8045939082843411
Energy: 0.7869124814053106
Energy: 0.7561071116432312
Energy: 0.7571164153985467
Energy: 0.7229855906990985
Energy: 0.7228530255926023
Energy: 0.7571164153985467
Energy: 0.7229855906990985
Energy: 0.6944723818725922
Energy: 0.7571164153959449
Energy: 0.7229855906990985
Energy: 0.6944723818725922

minimum gb energy = 0.6608506615923303 eV
minimum distance =  2.36819096843971 Angstroms
sigma value = 185


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

Energy: 0.9523754299507151
Energy: 0.33429458708590043
Energy: 0.33333420301528055
Energy: 0.5148821978274284
Energy: 0.3342945870840473
Energy: 0.3333342030146628
Energy: 0.952375429953186
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Energy: 0.6684363900919601
Energy: 0.333250031065154
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Energy: 0.6149400285980231
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Energy: 0.6149400285980231
Energy: 0.43136593412746493
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Energy: 0.7465796779611644
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Energy: 0.5885127527216603
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Energy: 0.43238932506504635
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Energy: 0.4890443843768722
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Energy: 0.7708539775268065
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Energy: 0.33333420301528055
Energy: 0.5189845427703987
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Energy: 0.3342945870861812
Energy: 0.3333342030149998
Energy: 0.5189845427703987
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Energy: 0.3474840368069165
Energy: 0.6241144716966117
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Energy: 0.34748403680629875
Energy: 0.6116777998653543
Energy: 0.5452866319970207
Energy: 0.34748403680506335
Energy: 0.6251135924535169
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Energy: 0.6251135924541347
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Energy: 0.33256198380242247
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Energy: 0.36758950956689995
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Energy: 0.3675895095823425
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Energy: 0.5089339935879046
Energy: 0.41775743107256463
Energy: 0.6607465832592767
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Energy: 0.3474840368054003
Energy: 0.6116777998675443
Energy: 0.5452866319988736
Energy: 0.34748403680601797
Energy: 0.6083988675434753
Energy: 0.545286631997919
Energy: 0.3474840368056811
Energy: 0.6116777998656912
Energy: 0.5452866319973013
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Energy: 0.6251135924553701
Energy: 0.43238932506538336
Energy: 0.33256198380180474
Energy: 0.6251135924525623
Energy: 0.4449501310448985
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Energy: 0.62511359245318
Energy: 0.43238932506600103
Energy: 0.33256198380242247
Energy: 0.6251135924544153
Energy: 0.4458078391977915
Energy: 0.5670503325031748
Energy: 0.3300405572377914
Energy: 0.4616641134748257
Energy: 0.5846197970223381
Energy: 0.3300405572380722
Energy: 0.4458078392030139
Energy: 0.5670503325025571
Energy: 0.3300405572380722
Energy: 0.46166411348285585
Energy: 0.42445670832623095
Energy: 0.4465795009853259
Energy: 0.333616103297342
Energy: 0.48904438437810754
Energy: 0.4472226278593028
Energy: 0.3336161032989143
Energy: 0.42445670832465865
Energy: 0.44657950098656135
Energy: 0.3336161032961066
Energy: 0.48904438437563674
Energy: 0.638411421134237
Energy: 0.6000611052186814
Energy: 0.3337423768156769
Energy: 0.6163790583845375
Energy: 0.6000611049800244
Energy: 0.33374237681657537
Energy: 0.6384114211339001
Energy: 0.6000611051115385
Energy: 0.33374237681657537
Energy: 0.6163790583885246

minimum gb energy = 0.33004055723593834 eV
minimum distance =  2.34987728389387 Angstroms
sigma value = 33


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

Energy: 0.6037984924276464
Energy: 0.6401460498134133
Energy: 0.6400728575397197
Energy: 0.5921896430155152
Energy: 0.6401460498151087
Energy: 0.6400728575397197
Energy: 0.6037984924276464
Energy: 0.6401460498134133
Energy: 0.6400728575414152
Energy: 0.5921896430155152
Energy: 0.6285282301840905
Energy: 0.6394742354764478
Energy: 0.6299877642839298
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Energy: 0.4684777110397509
Energy: 0.6271626759135187
Energy: 0.5075997783343121
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Energy: 0.6091266353886609
Energy: 0.48178463668623156
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Energy: 0.6091266353886609
Energy: 0.48178463668623156
Energy: 0.7315354369256166
Energy: 0.6380389632642544
Energy: 0.6591127202677531
Energy: 0.7315354369256166
Energy: 0.6380389632625588
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Energy: 0.7315354369239211
Energy: 0.6380389632608635
Energy: 0.6591127202694487
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Energy: 0.6231426351518006
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Energy: 0.6105401407206833
Energy: 0.623142635153496
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Energy: 0.6270560008711484
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Energy: 0.4955223729395248
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Energy: 0.6435193934708817
Energy: 0.638333765465214
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Energy: 0.6521247110408364
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Energy: 0.6345754434679686
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Energy: 0.6482315807256603
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Energy: 0.6350762398300397
Energy: 0.6482315807256603
Energy: 0.6345754434679686
Energy: 0.6387530883225487
Energy: 0.6478232394282943
Energy: 0.7628435205210226
Energy: 0.6387530883242444
Energy: 0.6502088113021127
Energy: 0.7634312418551951
Energy: 0.6387530883242444
Energy: 0.6478232394299898
Energy: 0.7628435205244136
Energy: 0.6387530883225487
Energy: 0.6272193000325316
Energy: 0.4666540478330684
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Energy: 0.6496456586753738
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Energy: 0.6401621056815668
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Energy: 0.6564153537664393
Energy: 0.6110603586021661

minimum gb energy = 0.28628378590835213 eV
minimum distance =  2.34987664593308 Angstroms
sigma value = 219


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

Energy: 1.0232715764327909
Energy: 0.9417167126218575
Energy: 0.9415709909722096
Energy: 1.0232715764339126
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Energy: 0.9284677963074989
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Energy: 0.9481352199647065
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Energy: 1.0207160142930882
Energy: 1.0176559353147232
Energy: 0.9481352199647065
Energy: 1.0207160142930882
Energy: 1.0176559353147232
Energy: 1.0102267716084758
Energy: 1.042312050116659
Energy: 0.9204239565643537
Energy: 1.0102267716084758
Energy: 1.0423120501177812
Energy: 0.9204239565643537
Energy: 1.0102267716073536
Energy: 1.0423120501177812
Energy: 0.9204239565643537
Energy: 1.0102267716084758
Energy: 0.9306909355926851
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Energy: 0.9400907273302854
Energy: 0.9306909355926851
Energy: 0.9295526827788291
Energy: 0.9400907273302854
Energy: 0.9306909355915629
Energy: 0.9295526827788291
Energy: 0.9400907273302854
Energy: 0.9306909355915629

minimum gb energy = 0.911021005061645 eV
minimum distance =  2.2962927631692 Angstroms
sigma value = 15


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

Energy: 1.1063035157638124
Energy: 1.106194308733337
Energy: 1.1062646186515364
Energy: 1.1063035157638124
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Energy: 1.0186800648062757
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Energy: 1.1333027450177686
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Energy: 1.1333027450198758
Energy: 1.018373255578384
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Energy: 1.1333027450219073
Energy: 1.103114372224531
Energy: 1.1731894804264302
Energy: 1.0501722289692583
Energy: 1.103114372224531
Energy: 1.1731894804243983
Energy: 1.0501722289692583
Energy: 1.103114372224531
Energy: 1.1731894804243983
Energy: 1.0501722289692583
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minimum gb energy = 0.98540658297972 eV
minimum distance =  2.32568557218414 Angstroms
sigma value = 293


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

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Energy: 1.1887504356637504
Energy: 1.0372677425137176
Energy: 1.0373945046050979
Energy: 1.18875043566352
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Energy: 1.0373945046048676
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Energy: 1.0372677425144547
Energy: 1.0373945046050979
Energy: 1.1887504356637504
Energy: 1.0887342383755436
Energy: 1.1595963099761057
Energy: 1.1124551390795427
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Energy: 1.0887342383755436
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Energy: 1.0954160479925896
Energy: 0.8724361325946115
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Energy: 1.1748883352213857
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Energy: 1.0954160479925896
Energy: 1.2454762030847684
Energy: 1.1505876643813326
Energy: 1.0878483468452038
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Energy: 1.2454762030844917
Energy: 1.150587664381609
Energy: 1.0878483468454803
Energy: 1.245476203085275
Energy: 0.9703907603945768
Energy: 1.1507962357648138
Energy: 1.0778649905790103
Energy: 0.9703907603945768
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Energy: 1.0778649905790103
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Energy: 1.0778649905790103
Energy: 0.9703907603950838
Energy: 1.129705231553819
Energy: 0.9710603198788454
Energy: 1.0780139884887372
Energy: 1.1297052315540492
Energy: 0.9710603198800896
Energy: 1.078013988488507
Energy: 1.1297052315540492
Energy: 0.9710603198808732
Energy: 1.0780139884887372
Energy: 1.1297052315540492
Energy: 1.1493830902109263
Energy: 1.151734883295145
Energy: 1.0891216541459081
Energy: 1.1493830902112026
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Energy: 1.0891216541454012
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Energy: 1.1064797377095628
Energy: 1.0853222150751225
Energy: 1.0853253638380023
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Energy: 1.0853222150748918
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Energy: 1.0853222150748918
Energy: 1.0853253638382327
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Energy: 1.1491995329657823
Energy: 1.089212764705724
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Energy: 1.0892127647054473
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Energy: 1.1491995329657823
Energy: 1.0892127647059542
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Energy: 1.149199532965275
Energy: 1.129859701076409
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Energy: 0.9702979106150535
Energy: 1.1298597010761784
Energy: 1.0779427003861095
Energy: 0.9702979106150535
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Energy: 1.0779427003868929
Energy: 0.9702979106150535
Energy: 1.129859701076409
Energy: 0.9701701019624482
Energy: 1.0779456882416556
Energy: 1.1505410934094615
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Energy: 1.0779456882416556
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Energy: 0.9701701019624482
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Energy: 1.1505410934094615
Energy: 0.9701701019624482
Energy: 1.2456450352938164
Energy: 1.0877250222530117
Energy: 1.1506351810357407
Energy: 1.2456450352930792
Energy: 1.0877250222535186
Energy: 1.1506351810357407
Energy: 1.245645035293586
Energy: 1.087725022253288
Energy: 1.1506351810354642
Energy: 1.2456450352930792
Energy: 1.0952597804993531
Energy: 1.1755702148255975
Energy: 0.8724749159832836
Energy: 1.0952597804995834
Energy: 1.175570214825874
Energy: 0.8724749159848044
Energy: 1.0952597804995834
Energy: 1.175570214826381
Energy: 0.872474915985081
Energy: 1.0952597804993531
Energy: 1.0888065241340292
Energy: 1.1125790486688427
Energy: 1.1594699432578832
Energy: 1.088806524134536
Energy: 1.1125790486690732
Energy: 1.159469943257653
Energy: 1.0888065241342597
Energy: 1.1125790486693496
Energy: 1.1594699432578832
Energy: 1.0888065241340292
Energy: 1.1887504356637504
Energy: 1.0372677425144547
Energy: 1.037394504606112
Energy: 1.1887504356637504
Energy: 1.0372677425137176
Energy: 1.0373945046053745
Energy: 1.1887504356640268
Energy: 1.037267742513441
Energy: 1.0373945046058815
Energy: 1.1887504356637504
Energy: 1.08873423837582
Energy: 1.1595963099761057
Energy: 1.1124551390793123
Energy: 1.0887342383755436
Energy: 1.1595963099753224
Energy: 1.1124551390793123
Energy: 1.08873423837582
Energy: 1.1595963099750919
Energy: 1.1124551390790356
Energy: 1.0887342383753134
Energy: 1.0954160479923591
Energy: 0.8724361325941047
Energy: 1.1748883352226762
Energy: 1.0954160479925896
Energy: 0.8724361325941047
Energy: 1.1748883352229065
Energy: 1.0954160479925896
Energy: 0.8724361325943351
Energy: 1.1748883352226762
Energy: 1.0954160479925896
Energy: 1.2454762030844917
Energy: 1.150587664381609
Energy: 1.0878483468449733
Energy: 1.2454762030847684
Energy: 1.150587664381609
Energy: 1.0878483468454803
Energy: 1.2454762030849986
Energy: 1.1505876643813326
Energy: 1.0878483468452038
Energy: 1.245476203085275
Energy: 0.9703907603945768
Energy: 1.1507962357648138
Energy: 1.0778649905792403
Energy: 0.9703907603943464
Energy: 1.1507962357653205
Energy: 1.0778649905790103
Energy: 0.9703907603950838
Energy: 1.1507962357650439
Energy: 1.0778649905792403
Energy: 0.9703907603950838

minimum gb energy = 0.8724361325941047 eV
minimum distance =  2.21650115387916 Angstroms
sigma value = 293


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

Energy: 1.1923017098651276
Energy: 1.215040531974176
Energy: 1.2152709230954737
Energy: 1.1923017098646693
Energy: 1.215040531974176
Energy: 1.2152709230963898
Energy: 1.1923017098651276
Energy: 1.215040531974176
Energy: 1.2152709230959318
Energy: 1.1923017098655857
Energy: 1.2127940989918933
Energy: 1.1902274490571934
Energy: 1.2143297142024683
Energy: 1.2127940989923514
Energy: 1.1902274490526126
Energy: 1.2143297142015523
Energy: 1.2127940989923514
Energy: 1.1902274490700204
Energy: 1.2143297142024683
Energy: 1.2127940989923514
Energy: 1.2129984158763227
Energy: 1.213128591096953
Energy: 1.0828726688946146
Energy: 1.2129984158767808
Energy: 1.213128591097411
Energy: 1.083068262202493
Energy: 1.2129984158758647
Energy: 1.213128591096953
Energy: 1.0842416400098862
Energy: 1.212998415877239
Energy: 1.0828071804888117
Energy: 1.2130873884783815
Energy: 1.2127034002002095
Energy: 1.0820981290156184
Energy: 1.2130873884788396
Energy: 1.2127034002002095
Energy: 1.0825318135251016
Energy: 1.2130873884783815
Energy: 1.2127034002006678
Energy: 1.0823338388606456
Energy: 1.214318051793016
Energy: 1.1902216626902913
Energy: 1.2128060347420402
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Energy: 1.2143180517934744
Energy: 1.1902216627219004
Energy: 1.2128060347429566
Energy: 1.2143180517939325
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Energy: 1.2152709230968481
Energy: 1.1923017098646693
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Energy: 1.2152709230963898
Energy: 1.1923017098651276
Energy: 1.2150405319737179
Energy: 1.2152709230959318
Energy: 1.1923017098655857
Energy: 1.215040531974176
Energy: 1.190227449073227
Energy: 1.2143297142029263
Energy: 1.2127940989928092
Energy: 1.190227449078266
Energy: 1.2143297142024683
Energy: 1.2127940989923514
Energy: 1.190227449083763
Energy: 1.2143297142029263
Energy: 1.2127940989918933
Energy: 1.1902274490956737
Energy: 1.2131285910983272
Energy: 1.0842566136499066
Energy: 1.2129984158758647
Energy: 1.213128591096953
Energy: 1.1278417595078338
Energy: 1.2129984158763227
Energy: 1.213128591097869
Energy: 1.082503190419759
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Energy: 1.2131285910997014
Energy: 1.2130873884788396
Energy: 1.2127034001997514
Energy: 1.0835292421062641
Energy: 1.2130873884788396
Energy: 1.2127034001992936
Energy: 1.0833985544309361
Energy: 1.2130873884783815
Energy: 1.2127034001992936
Energy: 1.0834944338010897
Energy: 1.2130873884783815
Energy: 1.1902216627393079
Energy: 1.2128060347424983
Energy: 1.2143180517953067
Energy: 1.1902216627461795
Energy: 1.2128060347429566
Energy: 1.2143180517943903
Energy: 1.1902216627475537
Energy: 1.2128060347429566
Energy: 1.2143180517934744
Energy: 1.1902216627525928
Energy: 1.2152709230959318
Energy: 1.1923017098651276
Energy: 1.2150405319737179
Energy: 1.2152709230959318
Energy: 1.1923017098655857
Energy: 1.2150405319737179
Energy: 1.2152709230959318
Energy: 1.1923017098651276
Energy: 1.215040531974176
Energy: 1.2152709230959318
Energy: 1.2143297142033846
Energy: 1.2127940989923514
Energy: 1.1902274491085005
Energy: 1.2143297142020102
Energy: 1.2127940989932675
Energy: 1.1902274491043776
Energy: 1.2143297142024683
Energy: 1.2127940989932675
Energy: 1.1902274491217855
Energy: 1.2143297142020102
Energy: 1.0852507606130541
Energy: 1.2129984158758647
Energy: 1.213128591097869
Energy: 1.0859617967894464
Energy: 1.212998415877697
Energy: 1.213128591097869
Energy: 1.1273848199819732
Energy: 1.2129984158763227
Energy: 1.2131285910983272
Energy: 1.0856837244824664
Energy: 1.2127034002002095
Energy: 1.0840310287120176
Energy: 1.2130873884779236
Energy: 1.2127034001997514
Energy: 1.038334697937293
Energy: 1.2130873884783815
Energy: 1.2127034001997514
Energy: 1.0857650602570559
Energy: 1.2130873884779236
Energy: 1.2127034001997514
Energy: 1.2128060347424983
Energy: 1.214318051793016
Energy: 1.1902216628011097
Energy: 1.2128060347424983
Energy: 1.2143180517948486
Energy: 1.1902216627905735
Energy: 1.2128060347424983
Energy: 1.2143180517948486
Energy: 1.1902216627997355
Energy: 1.2128060347420402
Energy: 1.1923017098655857
Energy: 1.215040531974176
Energy: 1.2152709230963898
Energy: 1.1923017098655857
Energy: 1.215040531974634
Energy: 1.2152709230959318
Energy: 1.1923017098655857
Energy: 1.215040531974634
Energy: 1.2152709230963898
Energy: 1.1923017098651276
Energy: 1.2127940989937256
Energy: 1.1902274491309475
Energy: 1.2143297142020102
Energy: 1.2127940989941837
Energy: 1.1902274491432745
Energy: 1.2143297142029263
Energy: 1.2127940989937256
Energy: 1.1902274491437324
Energy: 1.2143297142020102
Energy: 1.2127940989941837
Energy: 1.212998415877239
Energy: 1.213128591097869
Energy: 1.08510525565756
Energy: 1.212998415877239
Energy: 1.213128591097869
Energy: 1.0830849305902708
Energy: 1.2129984158763227
Energy: 1.213128591097411
Energy: 1.127821487811632
Energy: 1.2129984158763227
Energy: 1.084526154130953
Energy: 1.2130873884783815
Energy: 1.2127034001997514
Energy: 1.1278081735139465
Energy: 1.2130873884783815
Energy: 1.2127034001983772
Energy: 1.1278055654853734
Energy: 1.2130873884788396
Energy: 1.2127034001979191
Energy: 1.0835877134731566
Energy: 1.2143180517939325
Energy: 1.1902216628505844
Energy: 1.2128060347424983
Energy: 1.2143180517943903
Energy: 1.1902216628482938
Energy: 1.2128060347424983
Energy: 1.2143180517953067
Energy: 1.1902216628460034
Energy: 1.2128060347429566
Energy: 1.2143180517948486
Energy: 1.215040531974176
Energy: 1.2152709230963898
Energy: 1.1923017098655857
Energy: 1.215040531974634
Energy: 1.2152709230963898
Energy: 1.1923017098660438
Energy: 1.215040531974176
Energy: 1.2152709230963898
Energy: 1.1923017098655857
Energy: 1.215040531974634
Energy: 1.1902274491446487
Energy: 1.2143297142020102
Energy: 1.2127940989937256
Energy: 1.1902274491638887
Energy: 1.2143297142024683
Energy: 1.2127940989928092
Energy: 1.1902274491744251
Energy: 1.2143297142029263
Energy: 1.2127940989923514
Energy: 1.1902274491675535

minimum gb energy = 1.038334697937293 eV
minimum distance =  2.36701924406756 Angstroms
sigma value = 15


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

Energy: 1.1699494655693021
Energy: 1.0820327182373404
Energy: 1.1068540513220404
Energy: 1.1143681218945163
Energy: 1.0820327341968738
Energy: 1.1068540513220404
Energy: 1.1699494655693021
Energy: 1.082032737397487
Energy: 1.1068540513199638
Energy: 1.1143681218945163
Energy: 1.1160491556021
Energy: 1.0647234346686483
Energy: 1.0573115854276187
Energy: 1.1160491556041765
Energy: 1.0647234346686483
Energy: 1.0573115854255422
Energy: 1.1160491556062533
Energy: 1.0647234346686483
Energy: 1.0573115854255422
Energy: 1.1160491556041765
Energy: 1.12998101551424
Energy: 1.0624241510090862
Energy: 1.0332143934355071
Energy: 1.12998101551424
Energy: 1.062424151011125
Energy: 1.0332143934355071
Energy: 1.12998101551424
Energy: 1.062424151011125
Energy: 1.0332143934355071
Energy: 1.1299810155121635
Energy: 1.0657766292098936
Energy: 1.063376753620806
Energy: 1.064902869704985
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Energy: 1.0657766292098936
Energy: 1.0633767536187295
Energy: 1.064902869700832
Energy: 1.06577662921197
Energy: 1.093876768172713
Energy: 1.0627231513031619
Energy: 1.1455747478608718
Energy: 1.0938767681706367
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Energy: 1.1455747478587952
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Energy: 1.0627231513052382
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Energy: 1.1005598027889674
Energy: 1.0531625706819616
Energy: 1.065074948297274
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Energy: 1.0531625710597436
Energy: 1.0650749482993505
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Energy: 1.065074948297274
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Energy: 1.099076648096535
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Energy: 1.0990766480944583
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Energy: 1.093126159494081
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Energy: 1.092091296706274
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Energy: 1.2325617160324827
Energy: 1.040292659969033
Energy: 1.0909916545325247
Energy: 1.1165194854711475
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Energy: 1.0909916545325247
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Energy: 1.0893569888445533
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Energy: 1.0840313892564066
Energy: 1.0645079387554406
Energy: 1.0649094238487498
Energy: 1.0840313892502147
Energy: 1.0644343444597224
Energy: 1.0649094238487498
Energy: 1.0840313892543303
Energy: 1.0645079387554406
Energy: 1.064909423846673
Energy: 1.08403138926056
Energy: 1.1239106400235779
Energy: 1.0748910498155866
Energy: 1.0842962596417238
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Energy: 1.0842962596438002
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Energy: 1.074891049817663
Energy: 1.0842962596438002
Energy: 1.1239106400235779
Energy: 1.067112727421999
Energy: 1.0520183780716734
Energy: 1.1601302598052872
Energy: 1.0671127274240755
Energy: 1.0520183780695969
Energy: 1.1601302598073637
Energy: 1.0671127274240755
Energy: 1.0520183780675205
Energy: 1.1601302598073637
Energy: 1.067112727421999
Energy: 1.1526539542356047
Energy: 1.1318699667932224
Energy: 1.0826888912575534
Energy: 1.1526539542376812
Energy: 1.131869966791146
Energy: 1.082687956772273
Energy: 1.152653954233528
Energy: 1.131869966791146
Energy: 1.0826888912596297
Energy: 1.152653954233528
Energy: 1.0660051243151505
Energy: 1.1271980655433789
Energy: 1.101321351241168
Energy: 1.0660051243151505
Energy: 1.1271980655433789
Energy: 1.1013213512390914
Energy: 1.0660051243172268
Energy: 1.1271980655433789
Energy: 1.101321351241168
Energy: 1.0660051243193034
Energy: 1.120797603858462
Energy: 1.110244396175085
Energy: 1.1469821843276393
Energy: 1.1207976038563852
Energy: 1.1102443961730084
Energy: 1.1469821843255628
Energy: 1.120797603852232
Energy: 1.110244396175085
Energy: 1.1469821843276393
Energy: 1.1207976038543086
Energy: 1.2039696472119994
Energy: 1.0465290238801155
Energy: 1.0580031873849156
Energy: 1.2039696472119994
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Energy: 1.0580031873849156
Energy: 1.203969647207846
Energy: 1.0465290238801155
Energy: 1.0580031873849156
Energy: 1.203969647207846
Energy: 1.0649594923046357
Energy: 1.1775972314970145
Energy: 1.0804511254499873
Energy: 1.064959492306712
Energy: 1.177597231494938
Energy: 1.080451125452064
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Energy: 1.177597231494938
Energy: 1.0804511254499873
Energy: 1.0649594923046357
Energy: 1.105012298971426
Energy: 1.0819058752463138
Energy: 1.1186310004656739
Energy: 1.1050122989735025
Energy: 1.0819058752483903
Energy: 1.1186310004656739
Energy: 1.105012298971426
Energy: 1.0819058752463138
Energy: 1.1186310004656739
Energy: 1.105012298971426
Energy: 1.1153153214371967
Energy: 1.0655111071883256
Energy: 1.156757253684542
Energy: 1.1153153214351204
Energy: 1.0655111071883256
Energy: 1.1567572536824657
Energy: 1.1153153214330438
Energy: 1.0655111071841727
Energy: 1.1567572536824657
Energy: 1.1153153214351204
Energy: 1.0775879792040848
Energy: 1.1947263826954675
Energy: 1.0651342314330368
Energy: 1.0775879792040848
Energy: 1.194726382693391
Energy: 1.0651342314330368
Energy: 1.0775879792061613
Energy: 1.194726382693391
Energy: 1.0651342314351138
Energy: 1.0775879792082381
Energy: 1.0796980720543978
Energy: 1.0973924233833081
Energy: 1.060190225107194
Energy: 1.091107245860558
Energy: 1.0927992605782793
Energy: 1.060190225107194
Energy: 1.0796980720523213
Energy: 1.0973924233853847
Energy: 1.060190225107194
Energy: 1.0911072458584814
Energy: 1.0643351067313431
Energy: 1.076146987891957
Energy: 1.05737202097975
Energy: 1.06433510672719
Energy: 1.076146987891957
Energy: 1.05737202097975
Energy: 1.0643351067251512
Energy: 1.0761469878898802
Energy: 1.05737202097975
Energy: 1.0643351067292666
Energy: 1.0968836396266148
Energy: 1.1081696390030153
Energy: 1.0768302867610913
Energy: 1.0968836396224617
Energy: 1.1081696390030153
Energy: 1.0768302867590147
Energy: 1.0968836396224617
Energy: 1.1081696390030153
Energy: 1.0768302867590147
Energy: 1.0968836396266148
Energy: 1.0561426236614078
Energy: 1.078267333026846
Energy: 1.0896142644577163
Energy: 1.055970980988607
Energy: 1.0782673330289225
Energy: 1.0785130268906635
Energy: 1.0561426236634843
Energy: 1.0782673330289225
Energy: 1.0896142644577163
Energy: 1.055970980984454
Energy: 1.1208779027603628
Energy: 1.0589419605890227
Energy: 1.1157398846570745
Energy: 1.1208779027624394
Energy: 1.0589419605869461
Energy: 1.1157398846570745
Energy: 1.1208779027624394
Energy: 1.0589419605848696
Energy: 1.1157398846591509
Energy: 1.1208779027603628
Energy: 1.1616921224093981
Energy: 1.1537495050151236
Energy: 1.0774757314782832
Energy: 1.161692122411475
Energy: 1.1537495050151236
Energy: 1.0774757314782832
Energy: 1.161692122411475
Energy: 1.153749505013047
Energy: 1.0774757314803596
Energy: 1.1616921224093981
Energy: 1.1088839697491273
Energy: 1.0634005777931796
Energy: 1.1104998003765265
Energy: 1.0855432016828466
Energy: 1.0632923954116407
Energy: 1.1104998003765265
Energy: 1.1088839697470505
Energy: 1.0634005777931796
Energy: 1.1104998003765265
Energy: 1.08554320168077
Energy: 1.080710555872527
Energy: 1.0620719714055598
Energy: 1.0717893022075031
Energy: 1.0807105558704506
Energy: 1.062071971407636
Energy: 1.071789306325576
Energy: 1.0807105558704506
Energy: 1.062071971407636
Energy: 1.0717893024005472
Energy: 1.080710555872527
Energy: 1.0911377562363438
Energy: 1.1181338865493762
Energy: 1.0846422165694642
Energy: 1.0911377562384204
Energy: 1.118133886551415
Energy: 1.0846597691273134
Energy: 1.091137756240497
Energy: 1.118133886551415
Energy: 1.0846422165653111
Energy: 1.091137756240497
Energy: 1.0649388310451742
Energy: 1.1291395173499281
Energy: 1.0762070995014312
Energy: 1.0649388310472507
Energy: 1.1291395173499281
Energy: 1.0762070995014312
Energy: 1.0649388310493275
Energy: 1.1291395173478516
Energy: 1.076207099499355
Energy: 1.0649388310472507
Energy: 1.0959956514705311
Energy: 1.1011850940378691
Energy: 1.0912801357937336
Energy: 1.113272404166884
Energy: 1.1011850940399457
Energy: 1.0912801357937336
Energy: 1.0959956514705311
Energy: 1.1011850940399457
Energy: 1.0912801357937336
Energy: 1.113272404166884
Energy: 1.1137525921945206
Energy: 1.0877451925210728
Energy: 1.0940602396228243
Energy: 1.07736033719833
Energy: 1.0877451925210728
Energy: 1.1019630262422462
Energy: 1.1137525921945206
Energy: 1.0877451925231494
Energy: 1.0940602396228243
Energy: 1.077360337202483
Energy: 1.0619061784684027
Energy: 1.2174099217758236
Energy: 1.1068705042301434
Energy: 1.0619061784642496
Energy: 1.2174099217695942
Energy: 1.1068705042301434
Energy: 1.061906178462173
Energy: 1.2174099217737473
Energy: 1.1068705042301434
Energy: 1.0619061784642496
Energy: 1.075009167037416
Energy: 1.0862760217290768
Energy: 1.0652238090123145
Energy: 1.0750091670394926
Energy: 1.0862760217249237
Energy: 1.0652238090123145
Energy: 1.0750091670394926
Energy: 1.0862760217249237
Energy: 1.065223809014391
Energy: 1.075009167037416
Energy: 1.0910044603095213
Energy: 1.1996390720685568
Energy: 1.0653232697540933
Energy: 1.0910044603136742
Energy: 1.1996390720644037
Energy: 1.066915865211714
Energy: 1.0910044603115978
Energy: 1.1996390720685568
Energy: 1.06532326975617
Energy: 1.0910044603095213
Energy: 1.1539431305816923
Energy: 1.1279469783508478
Energy: 1.0636759244990053
Energy: 1.1539431305816923
Energy: 1.1279469783508478
Energy: 1.0636759245010816
Energy: 1.1539431305816923
Energy: 1.1279469783508478
Energy: 1.0636759245010816
Energy: 1.1539431305816923
Energy: 1.0901037082394875
Energy: 1.146345967977729
Energy: 1.131188900537941
Energy: 1.0901037082415643
Energy: 1.146345967977729
Energy: 1.131188900537941
Energy: 1.0901037082394875
Energy: 1.1463459679798054
Energy: 1.1311889005358646
Energy: 1.0901037082394875
Energy: 1.135391350132549
Energy: 1.0810334033027296
Energy: 1.0638446598675995
Energy: 1.1353913501346256
Energy: 1.0810334033027296
Energy: 1.063844659865523
Energy: 1.1353913501346256
Energy: 1.0810334033027296
Energy: 1.0638446598634463
Energy: 1.1353913501367021
Energy: 1.0488212169618372
Energy: 1.1307220419897543
Energy: 1.0891544764351728
Energy: 1.0488212169597606
Energy: 1.1307220419897543
Energy: 1.0891544764372494
Energy: 1.048821216957684
Energy: 1.1307220419897543
Energy: 1.0891544764372494
Energy: 1.0488212169597606
Energy: 1.1015845256749777
Energy: 1.101263980442212
Energy: 1.0955147488917092
Energy: 1.1015845256749777
Energy: 1.1126938198366196
Energy: 1.1102568814454064
Energy: 1.1015845256749777
Energy: 1.1012639804442508
Energy: 1.0955147488896324
Energy: 1.1015845256749777
Energy: 1.1539215792971638
Energy: 1.0523832000756825
Energy: 1.0831782391021436
Energy: 1.1539215792971638
Energy: 1.0523832000736437
Energy: 1.0831782391042204
Energy: 1.1539215792971638
Energy: 1.0523832000736437
Energy: 1.0831782391042204
Energy: 1.1539215792971638
Energy: 1.0947672243837026
Energy: 1.2678870812600032
Energy: 1.0791103975740897
Energy: 1.0947672243837026
Energy: 1.2678870812600032
Energy: 1.0791103975720133
Energy: 1.094767224385779
Energy: 1.2678870812579268
Energy: 1.0791103975740897
Energy: 1.0947672243837026
Energy: 1.1038785320520266
Energy: 1.0690872020774311
Energy: 1.173559835823388
Energy: 1.1038785320520266
Energy: 1.0690934231337306
Energy: 1.173559835823388
Energy: 1.1038785320520266
Energy: 1.069087202081584
Energy: 1.1735598358254646
Energy: 1.1038785320520266
Energy: 1.0808563407817962
Energy: 1.0694456564702322
Energy: 1.1021777928531007
Energy: 1.0808563407797198
Energy: 1.0694456564681558
Energy: 1.1021777928531007
Energy: 1.080856340777643
Energy: 1.0694456564681558
Energy: 1.1021777928510244
Energy: 1.0808563407797198
Energy: 1.1068594055162997
Energy: 1.0732059621519825
Energy: 1.0823223675973628
Energy: 1.1068594055142231
Energy: 1.073205962154059
Energy: 1.0823481987097456
Energy: 1.1068594055162997
Energy: 1.0732059621561356
Energy: 1.0823223675932099
Energy: 1.1068594055162997
Energy: 1.061382692201782
Energy: 1.0558009477966936
Energy: 1.0863255315656903
Energy: 1.0613826921997054
Energy: 1.055800947794617
Energy: 1.0863255315636138
Energy: 1.061382692201782
Energy: 1.055800947794617
Energy: 1.0863255315656903
Energy: 1.0613826922038587
Energy: 1.0774447144867316
Energy: 1.152309620590933
Energy: 1.1131199332771111
Energy: 1.0774447144867316
Energy: 1.152309620588856
Energy: 1.1131199332771111
Energy: 1.077444714484655
Energy: 1.152309620588856
Energy: 1.1131199332750343
Energy: 1.077444714484655

minimum gb energy = 1.0332143934355071 eV
minimum distance =  2.29805892373138 Angstroms
sigma value = 437


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

Energy: 0.987309455214401
Energy: 1.0454451098773658
Energy: 1.0433479103616725
Energy: 0.987309455214401
Energy: 1.0454451098773658
Energy: 1.043347910362429
Energy: 0.987309455214401
Energy: 1.0454451098773658
Energy: 1.043347910362429
Energy: 0.987309455214401
Energy: 1.0963324349144086
Energy: 0.9702225987915385
Energy: 0.9704053080768256
Energy: 1.0963324349144086
Energy: 0.9702225987915385
Energy: 0.9704053080775821
Energy: 1.096332434913652
Energy: 0.9702225987915385
Energy: 0.9704053080775821
Energy: 1.0963324349144086
Energy: 1.026503964350971
Energy: 0.9624918944956635
Energy: 1.0055526169946436
Energy: 1.0265039643517277
Energy: 0.9624918944941505
Energy: 1.0055526169931308
Energy: 1.026503964350971
Energy: 0.962491894494907
Energy: 1.0055526169938873
Energy: 1.026503964350971
Energy: 1.086600111000713
Energy: 1.0015454332405562
Energy: 0.9838360576459227
Energy: 1.086600111000713
Energy: 1.0015454332405562
Energy: 0.9838360576466793
Energy: 1.086600111000713
Energy: 1.0015454332405562
Energy: 0.9838360576459227
Energy: 1.086600111000713
Energy: 1.0500826237405598
Energy: 0.988078310587272
Energy: 1.1248518215641896
Energy: 1.050082623693724
Energy: 0.988078310587272
Energy: 1.1248518215641896
Energy: 1.050082623759473
Energy: 0.988078310587272
Energy: 1.1248518215641896
Energy: 1.0500826236944807
Energy: 0.974664045720678
Energy: 0.9987705590529697
Energy: 0.9706559220474424
Energy: 0.9746640457199215
Energy: 0.9987705590491871
Energy: 0.9706559220474424
Energy: 0.9746640457199215
Energy: 0.9987705590514566
Energy: 0.9706559220474424
Energy: 0.9746640457199215
Energy: 1.0082153806960428
Energy: 1.0214456062985793
Energy: 0.9615138584749209
Energy: 1.0082153806952865
Energy: 0.9558223285267848
Energy: 0.9615138584756774
Energy: 1.00821538069453
Energy: 0.9558223285267848
Energy: 0.9615138584749209
Energy: 1.0082153806960428
Energy: 0.9857607523849199
Energy: 1.15949591352692
Energy: 0.9831048350045234
Energy: 0.9857607523849199
Energy: 1.15949591352692
Energy: 0.9831048350060363
Energy: 0.9857607523849199
Energy: 1.15949591352692
Energy: 0.9831048350052798
Energy: 0.9857607523849199
Energy: 1.1211991208373775
Energy: 0.9826209715650344
Energy: 0.9885087088755365
Energy: 1.1211991208381342
Energy: 0.9826209715635214
Energy: 0.9885087088755365
Energy: 1.1211991208381342
Energy: 0.9826209715650344
Energy: 0.9885087088755365
Energy: 1.1211991208381342
Energy: 1.0879177462703138
Energy: 1.0831155388853624
Energy: 1.0975353641481727
Energy: 1.0879177462703138
Energy: 1.0831155388846059
Energy: 1.0975353641481727
Energy: 1.0879177462703138
Energy: 1.0831155388846059
Energy: 1.097535364147416
Energy: 1.0879177462703138
Energy: 1.0110244483838333
Energy: 0.9770777672463602
Energy: 0.9719239903290644
Energy: 1.0110244483838333
Energy: 0.9770777672456037
Energy: 0.9719239903290644
Energy: 1.0110244483838333
Energy: 0.9770777672456037
Energy: 1.059139028698289
Energy: 1.0110244483830768
Energy: 0.9992149102882308
Energy: 0.9588591315994437
Energy: 1.0215226163432516
Energy: 0.9992149102882308
Energy: 0.9588591315994437
Energy: 1.021522616344008
Energy: 0.9992149102882308
Energy: 0.9588591315994437
Energy: 1.0215226163447646
Energy: 0.9992149102882308
Energy: 0.9885923373393735
Energy: 1.2004934337774829
Energy: 0.9881714595522628
Energy: 0.9885923373393735
Energy: 1.2004934337789959
Energy: 0.9881714595522628
Energy: 0.9885923373401301
Energy: 1.2004934337789959
Energy: 0.9881714595515063
Energy: 0.9885923373401301
Energy: 1.0586810799265836
Energy: 0.9628151829065533
Energy: 0.9872961876748263
Energy: 1.0586810799273403
Energy: 0.9628151829073098
Energy: 0.9872961876672611
Energy: 1.0586810799265836
Energy: 0.9628151829065533
Energy: 0.9872961876740698
Energy: 1.0586810799273403

minimum gb energy = 0.9558223285267848 eV
minimum distance =  2.20823545802459 Angstroms
sigma value = 33