Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_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=4.242432836622999
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: 0.018592704160754994
Energy: 0.32628242206718977
Energy: 0.32628242206718977
Energy: 0.018592704160754994
Energy: 0.32628242206718977
Energy: 0.32628242206718977
Energy: 0.018592704160754994
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Energy: 0.32628242206718977
Energy: 0.018592704160754994
Energy: 0.322900585887363
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Energy: 0.32298561670040093
Energy: 0.3229005858859144
Energy: 0.022650537604594432
Energy: 0.3229859191904229
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Energy: 0.022650537604594432
Energy: 0.3229858392974293
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Energy: 0.5796403093723117
Energy: 0.24662787500538766
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Energy: 0.973561592378349
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Energy: 0.8065462275308193
Energy: 0.19336543409834298
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Energy: 0.32628242206718977
Energy: 0.32628242206718977
Energy: 0.018592704160754994
Energy: 0.32628242206718977
Energy: 0.32628242206718977
Energy: 0.018592704160754994
Energy: 0.32628242206718977
Energy: 0.32628242206718977
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Energy: 0.322900585887363
Energy: 0.022650537604594432
Energy: 0.3229859429939798
Energy: 0.322900585887363
Energy: 0.022650537604594432
Energy: 0.32298600125396687
Energy: 0.322900585887363
Energy: 0.022650537603145796
Energy: 0.32298588486720137
Energy: 0.322900585887363
Energy: 0.8065637356279439
Energy: 0.019056914577714214
Energy: 0.41332645213028474
Energy: 0.8065365604938761
Energy: 0.25992413418599486
Energy: 0.32034380937838475
Energy: 0.8065272405929251
Energy: 0.3091826944595848
Energy: 0.25992413418599486
Energy: 0.8065653309959308

minimum gb energy = 0.018592704160754994 eV
minimum distance =  2.3068911337061 Angstroms
sigma value = 3


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

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Energy: -0.7362319940453208

minimum gb energy = -1.0180102240970985 eV
minimum distance =  2.38045237936441 Angstroms
sigma value = 75


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

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minimum gb energy = 0.07250633548558558 eV
minimum distance =  2.24635349324891 Angstroms
sigma value = 105


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

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Energy: 0.8186693615441843
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Energy: -0.2643126795793889
Energy: 0.8578313640664145
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Energy: -0.26431323829127146
Energy: 0.8305710386431645
Energy: 0.7582199215115242
Energy: -0.2643123440176274
Energy: 0.8578313640664145
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Energy: -0.2643125807998967
Energy: 0.2363671970326575
Energy: 0.19975345261203029
Energy: 0.24377577527715824
Energy: 0.2363671970443421
Energy: 0.14009922367975003
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Energy: 0.23636719704629539
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Energy: 0.2437757754958258
Energy: 0.23636719705996875
Energy: 0.07161468209222019
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Energy: 0.07161468208440683
Energy: 0.7555778419105903
Energy: 0.012486277667945528
Energy: 0.07161468209026685
Energy: 0.7576203314811102
Energy: 0.012486276867431183
Energy: 0.07161468210394023

minimum gb energy = -0.26452209673346355 eV
minimum distance =  2.3327049126007 Angstroms
sigma value = 165


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

Energy: 0.9321038557960984
Energy: 0.8971788306314218
Energy: 0.8927139746910878
Energy: 0.9321038557954278
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Energy: 0.8984755070997262
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Energy: 0.9205963207377547
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Energy: 0.8756987314110433
Energy: 0.9205963207357429
Energy: 0.8777933086618773
Energy: 0.8524290157162944
Energy: 0.8784276590623439
Energy: 0.8777933086612068
Energy: 0.852429015716965
Energy: 0.8784278134597698
Energy: 0.8777933086618773
Energy: 0.8524290157162944
Energy: 0.8784276105474277
Energy: 0.8777933086618773
Energy: 0.8979026267361606
Energy: 0.9275879969212153
Energy: 0.908068543195714
Energy: 0.8979026267381723
Energy: 0.9275762554076127
Energy: 0.908068543195714
Energy: 0.8979026267375018
Energy: 0.9275753420216757
Energy: 0.908068543195714
Energy: 0.897902626738843
Energy: 0.9321038557947571
Energy: 0.8971788306206925
Energy: 0.8927284510443719
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Energy: 0.8971788306401395
Energy: 0.8926954817097315
Energy: 0.9321038557954278
Energy: 0.8971788306569041
Energy: 0.8927184606208614
Energy: 0.9321038557947571

minimum gb energy = 0.8524190384713642 eV
minimum distance =  2.36121092276602 Angstroms
sigma value = 41


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

Energy: 0.7878685293769427
Energy: 0.7744862905623434
Energy: 0.7244627032324941
Energy: 0.7209444147643936
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Energy: 0.8699907015555967
Energy: 0.6898842142984011
Energy: 0.709079165954334
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Energy: 0.6725870523710018
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Energy: 0.665270688855253
Energy: 0.7446962753969136
Energy: 0.7434608961310898
Energy: 0.6630861695519424
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Energy: 0.7434608961310898
Energy: 0.6630861695519424
Energy: 0.7446962753891081
Energy: 0.7434608961336917
Energy: 0.6630861695519424
Energy: 0.7446962754021172
Energy: 0.7718149541148142
Energy: 0.9048078725310844
Energy: 0.6704742494309672
Energy: 0.7718149541122122
Energy: 0.9048078725310844
Energy: 0.6704742494283654
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Energy: 0.7946022419311436
Energy: 0.7610498913390892
Energy: 0.7583975495546335
Energy: 0.6879375833126811
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Energy: 0.7583975495572353
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Energy: 0.7610498913364874
Energy: 0.7583975495572353
Energy: 0.6879375833100791
Energy: 0.7520369503229267
Energy: 0.6610224392716966
Energy: 0.7490830625435825
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Energy: 0.738493374141388
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Energy: 0.8677814510287425
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Energy: 0.7369876795622858
Energy: 0.7160882235635171
Energy: 0.6922041171685674
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Energy: 0.7256243418225844
Energy: 0.7635691142242091
Energy: 0.7080308716237138
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Energy: 0.763569114226811
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Energy: 0.7256243418199826
Energy: 0.7635691142242091
Energy: 0.708030871621112
Energy: 0.7256243418199826
Energy: 0.7821077637264039
Energy: 0.6647717826864434
Energy: 0.7457293282772909
Energy: 0.7821077637290058
Energy: 0.6647717826864434
Energy: 0.7457293282746891
Energy: 0.7821077637264039
Energy: 0.6647717826838415
Energy: 0.7457293282772909
Energy: 0.7821077637264039
Energy: 0.7733258838378351
Energy: 0.7216824596146079
Energy: 0.7921727096194152
Energy: 0.7733258838378351
Energy: 0.7216824596120062
Energy: 0.7220982216420424
Energy: 0.773325883840437
Energy: 0.7216824596094044
Energy: 0.7921727096220171
Energy: 0.7733258838378351
Energy: 0.6622305188704453
Energy: 0.7833921911686836
Energy: 0.8151056796907795
Energy: 0.6622305188704453
Energy: 0.8362556169977399
Energy: 0.7464492659074115
Energy: 0.6622305188704453
Energy: 0.7833921911660818
Energy: 0.8151056796907795
Energy: 0.6622305188678435
Energy: 0.6666604427477122
Energy: 0.7568565414153408
Energy: 0.7388351982147238
Energy: 0.6666604427477122
Energy: 0.7568566288811436
Energy: 0.7466841198995352
Energy: 0.6666604427477122
Energy: 0.7568565414153408
Energy: 0.7388351982147238
Energy: 0.666660442750314
Energy: 0.6878181480049949
Energy: 0.7373818236491412
Energy: 0.767917648034994
Energy: 0.6878181480075968
Energy: 0.7396174101809916
Energy: 0.767917648034994
Energy: 0.6878181480075968
Energy: 0.7373818236465395
Energy: 0.767917648034994
Energy: 0.6878181480075968
Energy: 0.7869124815960008
Energy: 0.7157472653666186
Energy: 0.8045939086843602
Energy: 0.7869124815960008
Energy: 0.7156727920917993
Energy: 0.8045939086817583
Energy: 0.7869124815960008
Energy: 0.7157472653666186
Energy: 0.8045939086817583
Energy: 0.7869124815960008
Energy: 0.7561071119934845
Energy: 0.7571164157246267
Energy: 0.7229855909924425
Energy: 0.722853025412083
Energy: 0.7571164157246267
Energy: 0.7229855909924425
Energy: 0.694472382315092
Energy: 0.7571164157272285
Energy: 0.7229855909924425
Energy: 0.6944723823124902

minimum gb energy = 0.660850661898447 eV
minimum distance =  2.36819096927361 Angstroms
sigma value = 185


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

Energy: 0.9523754300169215
Energy: 0.3342945873013094
Energy: 0.3333342032448966
Energy: 0.5148821978737559
Energy: 0.3342945873015902
Energy: 0.33333420324646895
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Energy: 0.33429458729973704
Energy: 0.333334203246132
Energy: 0.5148821978737559
Energy: 0.6684363902600868
Energy: 0.33325003127870984
Energy: 0.44716434975150915
Energy: 0.6149400287272347
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Energy: 0.468674770932543
Energy: 0.6684363902610415
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Energy: 0.6149400287268978
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Energy: 0.4471013966531789
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Energy: 0.33505025546029166
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Energy: 0.35107338022614176
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Energy: 0.33175432494411966
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Energy: 0.4177574420760553
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Energy: 0.37734541658920895
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Energy: 0.4177574421140158
Energy: 0.660746583465027
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Energy: 0.6116778000525738
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Energy: 0.6251135996857781
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Energy: 0.3336161035115717
Energy: 0.4890443845242217
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Energy: 0.6163790699302006
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Energy: 0.3337423770354098
Energy: 0.6384114309116485
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Energy: 0.3337423770341744
Energy: 0.616379069929246
Energy: 0.7708539775850388
Energy: 0.3342945873003547
Energy: 0.3333342032448966
Energy: 0.5189845428241388
Energy: 0.33429458730097245
Energy: 0.3333342032458513
Energy: 0.7708539775803781
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Energy: 0.33333420324523355
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Energy: 0.6684363902625576
Energy: 0.33325003127870984
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Energy: 0.3332500312784291
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Energy: 0.6274980219853215
Energy: 0.7465796781670271
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Energy: 0.5885127529304991
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Energy: 0.35107338022614176
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Energy: 0.3317543249459728
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Energy: 0.6607465834656447
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Energy: 0.5089594283008728
Energy: 0.3474840370828601
Energy: 0.6116778000522929
Energy: 0.545286636980796
Energy: 0.34748403708190545
Energy: 0.6241144718597407
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Energy: 0.3474840370834778
Energy: 0.6116778000547637
Energy: 0.5452866369792798
Energy: 0.3474840370840955
Energy: 0.6251135996848234
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Energy: 0.3325619840221553
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Energy: 0.44495591596609846
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Energy: 0.6251135996848234
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Energy: 0.6251135996829703
Energy: 0.3675899832091359
Energy: 0.651189598951118
Energy: 0.33004055736397075
Energy: 0.4311222258347561
Energy: 0.6445770627083728
Energy: 0.3300405573621176
Energy: 0.3675899831956026
Energy: 0.6511895989522972
Energy: 0.3300405573649254
Energy: 0.4311222258344192
Energy: 0.43058507878115604
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Energy: 0.4443628118587251
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Energy: 0.333334203246132
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Energy: 0.3333342032448966
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Energy: 0.746579678167364
Energy: 0.3510733802267595
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Energy: 0.397226906236454
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Energy: 0.5089594273555664
Energy: 0.4177574420995279
Energy: 0.6607465834656447
Energy: 0.5089594263000851
Energy: 0.37734541656051396
Energy: 0.5717379322592708
Energy: 0.5089594282690333
Energy: 0.41775744216404953
Energy: 0.6607465834659255
Energy: 0.5089594273163707
Energy: 0.3474840370831409
Energy: 0.6116778000525738
Energy: 0.5452866369801783
Energy: 0.34748403708067005
Energy: 0.60839886749142
Energy: 0.5452866369783252
Energy: 0.3474840370816247
Energy: 0.6116778000535282
Energy: 0.5452866369774267
Energy: 0.3474840370825232
Energy: 0.6251135996860587
Energy: 0.4323893251997051
Energy: 0.3325619840221553
Energy: 0.6251135996857781
Energy: 0.44495013117034776
Energy: 0.3325619840209199
Energy: 0.6251135996829703
Energy: 0.43238932520251283
Energy: 0.3325619840199653
Energy: 0.6251135996842057
Energy: 0.4458078393775985
Energy: 0.5670503322334643
Energy: 0.3300405573649254
Energy: 0.46166410778406414
Energy: 0.5846197972203955
Energy: 0.33004055736149995
Energy: 0.44580783938001317
Energy: 0.5670503322346997
Energy: 0.3300405573649254
Energy: 0.4616641077979904
Energy: 0.4244565181664272
Energy: 0.44657950111902994
Energy: 0.33361610351095405
Energy: 0.4890443845232671
Energy: 0.44722262798317985
Energy: 0.3336161035121894
Energy: 0.42445651816580954
Energy: 0.44657950111902994
Energy: 0.33361610351185256
Energy: 0.48904438452360405
Energy: 0.6384114309097954
Energy: 0.6000627835042599
Energy: 0.3337423770341744
Energy: 0.6163790699372762
Energy: 0.6000627843189505
Energy: 0.3337423770350729
Energy: 0.6384114309038993
Energy: 0.6000627850179067
Energy: 0.3337423770350729
Energy: 0.616379069935423

minimum gb energy = 0.33004055736149995 eV
minimum distance =  2.34987732323435 Angstroms
sigma value = 33


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

Energy: 0.6037984928388513
Energy: 0.64014605009724
Energy: 0.6400728578303283
Energy: 0.5921896434577325
Energy: 0.6401460501006311
Energy: 0.6400728578303283
Energy: 0.6037984928388513
Energy: 0.6401460501006311
Energy: 0.6400728578320238
Energy: 0.5921896434594279
Energy: 0.628528230642862
Energy: 0.639474235743412
Energy: 0.6299877645707775
Energy: 0.6285282306411665
Energy: 0.6394742357451073
Energy: 0.6299877645724731
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Energy: 0.639474235743412
Energy: 0.6299877645741686
Energy: 0.628528230642862
Energy: 0.4684801536515884
Energy: 0.6271626761609385
Energy: 0.5075997792349309
Energy: 0.49575156971373646
Energy: 0.6271626761609385
Energy: 0.6091266355050954
Energy: 0.48178463619632456
Energy: 0.627162676159243
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Energy: 0.48178463619632456
Energy: 0.7315354371967733
Energy: 0.638038963522741
Energy: 0.6591127162943642
Energy: 0.7315354371950777
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Energy: 0.6591127162943642
Energy: 0.7315354372001642
Energy: 0.6380389635193501
Energy: 0.6591127162926687
Energy: 0.7315354372001642
Energy: 0.6231426354250844
Energy: 0.6255408174678494
Energy: 0.6105401409371216
Energy: 0.6231426354250844
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Energy: 0.6105401409371216
Energy: 0.6231426354267798
Energy: 0.6255408174678494
Energy: 0.6105401409354262
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Energy: 0.684120885603084
Energy: 0.6514821174053511
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Energy: 0.6270560012854978
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Energy: 0.6345619208055502
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Energy: 0.6345619208021591
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Energy: 0.6435193937513175
Energy: 0.4955223731530653
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Energy: 0.4955223731530653
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Energy: 0.6435193937513175
Energy: 0.6383337657676912
Energy: 0.6389516064822817
Energy: 0.6521247091084288
Energy: 0.6383337657659958
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Energy: 0.6521247090931693
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Energy: 0.6350762401172884
Energy: 0.6482315809801703
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Energy: 0.6350762401206793
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Energy: 0.6345754437467087
Energy: 0.6350762401206793
Energy: 0.6482315809801703
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Energy: 0.6387530886064372
Energy: 0.6478232402626036
Energy: 0.7628435260009405
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Energy: 0.6502088117822167
Energy: 0.7634321251786362
Energy: 0.6387530886064372
Energy: 0.6478232402642992
Energy: 0.762843526002636
Energy: 0.6387530886064372
Energy: 0.6272193002799513
Energy: 0.4666540486854425
Energy: 0.46713491906797244
Energy: 0.6272193002816467
Energy: 0.4665519471885506
Energy: 0.46702344759628267
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Energy: 0.6393655610835106
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Energy: 0.6621009901083527
Energy: 0.6393655610852061
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Energy: 0.6422216965320079
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Energy: 0.64964565897446
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Energy: 0.6110603588812763
Energy: 0.607902979861109
Energy: 0.6564153539398119
Energy: 0.6110603588812763

minimum gb energy = 0.2862837871446491 eV
minimum distance =  2.34987664613578 Angstroms
sigma value = 219


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

Energy: 1.0232715766368616
Energy: 0.9417167129078164
Energy: 0.9415709912850995
Energy: 1.0232715766368616
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Energy: 0.9596141501159943
Energy: 1.0006245470439012
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Energy: 1.0209356806663858
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Energy: 0.9110210053406166
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Energy: 1.0207160145351832
Energy: 1.0176559355939754
Energy: 0.9481352202156508
Energy: 1.0207160145351832
Energy: 1.0176559355928532
Energy: 1.0102267718630416
Energy: 1.0423120504005015
Energy: 0.9204239568705109
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Energy: 1.0423120504005015
Energy: 0.9204239568693888
Energy: 1.0102267718641633
Energy: 1.0423120504005015
Energy: 0.9204239568693888
Energy: 1.0102267718630416
Energy: 0.9306909358684434
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Energy: 0.9400907276364424
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Energy: 0.9400907276364424
Energy: 0.9306909358684434
Energy: 0.9295526830601722
Energy: 0.9400907276364424
Energy: 0.9306909358684434

minimum gb energy = 0.9110210053406166 eV
minimum distance =  2.29629276318322 Angstroms
sigma value = 15


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

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Energy: 1.106194309074914
Energy: 1.1062646190076375
Energy: 1.106303516064
Energy: 1.106194309076946
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Energy: 1.1333027450987416
Energy: 1.0183732562643977
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Energy: 1.1333027450987416
Energy: 1.0183732562623662
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Energy: 1.1333027450967097
Energy: 1.0183732562602588
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Energy: 1.1031143725847712
Energy: 1.1731894807494196
Energy: 1.0501722292427305
Energy: 1.1031143725847712
Energy: 1.1731894807494196
Energy: 1.0501722292427305
Energy: 1.1031143725826642
Energy: 1.1731894807494196
Energy: 1.0501722292427305
Energy: 1.1031143725826642
Energy: 1.0693929423545723
Energy: 1.12301938355959
Energy: 1.1070882905165993
Energy: 1.0637535766970243
Energy: 1.1155302564378196
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minimum gb energy = 0.9854065834263515 eV
minimum distance =  2.32568557235673 Angstroms
sigma value = 293


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

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Energy: 1.037394505004134
Energy: 1.1887504359779006
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Energy: 1.0887342386451313
Energy: 1.1595963102237579
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Energy: 1.0887342386453616
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Energy: 1.087848347115529
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Energy: 1.245476203409241
Energy: 0.9703907608312629
Energy: 1.150796236135969
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Energy: 0.9703907608307558
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Energy: 1.077864990839934
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Energy: 1.1297052318194896
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Energy: 1.07801398874132
Energy: 1.1297052318199965
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Energy: 1.078013988741827
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Energy: 1.07801398874132
Energy: 1.1297052318194896
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Energy: 1.1491995332633425
Energy: 1.0892127649725003
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Energy: 0.9702979110249191
Energy: 1.1298597013425864
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Energy: 1.1298597013420795
Energy: 0.9701701023795948
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Energy: 1.2456450356345568
Energy: 1.087725022540065
Energy: 1.1506351813411813
Energy: 1.2456450356345568
Energy: 1.0877250225398343
Energy: 1.1506351813414577
Energy: 1.2456450356343265
Energy: 1.0877250225405717
Energy: 1.1506351813409508
Energy: 1.2456450356343265
Energy: 1.0952597808811537
Energy: 1.1755702151379968
Energy: 0.8724749162738854
Energy: 1.0952597808803703
Energy: 1.17557021513772
Energy: 0.8724749162741618
Energy: 1.0952597808808775
Energy: 1.1755702151379968
Energy: 0.8724749162736549
Energy: 1.0952597808806468
Energy: 1.088806524402557
Energy: 1.1125790489351124
Energy: 1.159469943586135
Energy: 1.0888065244018195
Energy: 1.1125790489351124
Energy: 1.159469943587149
Energy: 1.088806524402557
Energy: 1.1125790489356193
Energy: 1.1594699435873792
Energy: 1.0888065244020502
Energy: 1.1887504359786378
Energy: 1.0372677433021116
Energy: 1.037394505004134
Energy: 1.1887504359786378
Energy: 1.0372677433034019
Energy: 1.03739450500312
Energy: 1.1887504359786378
Energy: 1.037267743302895
Energy: 1.0373945050044102
Energy: 1.1887504359786378
Energy: 1.088734238645638
Energy: 1.1595963102227438
Energy: 1.112455139370421
Energy: 1.0887342386451313
Energy: 1.1595963102237579
Energy: 1.1124551393711584
Energy: 1.0887342386451313
Energy: 1.1595963102239881
Energy: 1.1124551393706514
Energy: 1.088734238645638
Energy: 1.0954160483804731
Energy: 0.8724361329776564
Energy: 1.1748883356125874
Energy: 1.09541604838098
Energy: 0.8724361329776564
Energy: 1.1748883356123108
Energy: 1.0954160483807498
Energy: 0.8724361329776564
Energy: 1.1748883356133248
Energy: 1.09541604838098
Energy: 1.2454762034112687
Energy: 1.1505876646888469
Energy: 1.087848347115022
Energy: 1.2454762034095177
Energy: 1.1505876646885704
Energy: 1.087848347115022
Energy: 1.2454762034090108
Energy: 1.1505876646890774
Energy: 1.087848347115022
Energy: 1.2454762034095177
Energy: 0.9703907608312629
Energy: 1.1507962361372133
Energy: 1.0778649908402105
Energy: 0.9703907608310324
Energy: 1.150796236136476
Energy: 1.077864990839934
Energy: 0.9703907608312629
Energy: 1.150796236136476
Energy: 1.077864990839934
Energy: 0.9703907608312629

minimum gb energy = 0.8724361329769191 eV
minimum distance =  2.21650115430165 Angstroms
sigma value = 293


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

Energy: 1.1923017101717206
Energy: 1.2150405322290454
Energy: 1.2152709233576728
Energy: 1.1923017101708042
Energy: 1.2150405322290454
Energy: 1.2152709233576728
Energy: 1.1923017101717206
Energy: 1.2150405322290454
Energy: 1.2152709233562984
Energy: 1.1923017101708042
Energy: 1.2127940992563826
Energy: 1.1902274493587892
Energy: 1.2143297144463439
Energy: 1.212794099257299
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Energy: 1.1902274493789455
Energy: 1.2143297144477179
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Energy: 1.2129984162085694
Energy: 1.2131285913523222
Energy: 1.0838187374651096
Energy: 1.2129984162085694
Energy: 1.2131285913523222
Energy: 1.0833799913548503
Energy: 1.2129984162094853
Energy: 1.213128591351864
Energy: 1.084627366904448
Energy: 1.2129984162085694
Energy: 1.0824893015675732
Energy: 1.2130873887227567
Energy: 1.212703400448666
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Energy: 1.2127034004477497
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Energy: 1.2127034004482078
Energy: 1.084173910725238
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Energy: 1.2150405322295035
Energy: 1.2152709233576728
Energy: 1.1923017101717206
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Energy: 1.2152709233562984
Energy: 1.1923017101712625
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Energy: 1.1923017101721785
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Energy: 1.2143297144468017
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Energy: 1.1902274493894816
Energy: 1.2143297144468017
Energy: 1.2127940992563826
Energy: 1.1902274494050156
Energy: 1.2143297144463439
Energy: 1.212794099257299
Energy: 1.1902274494068479
Energy: 1.2131285913523222
Energy: 1.1284957420016346
Energy: 1.2129984162090273
Energy: 1.213128591351864
Energy: 1.0841351417104639
Energy: 1.2129984162090273
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Energy: 1.0843347703241821
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Energy: 1.2131285913527803
Energy: 1.2130873887218403
Energy: 1.2127034004472916
Energy: 1.1278803151185306
Energy: 1.2130873887222984
Energy: 1.2127034004477497
Energy: 1.0838728523124677
Energy: 1.2130873887218403
Energy: 1.2127034004472916
Energy: 1.0850475060300926
Energy: 1.2130873887222984
Energy: 1.1902216630619344
Energy: 1.212806034974005
Energy: 1.2143180525602904
Energy: 1.1902216630477334
Energy: 1.212806034974005
Energy: 1.2143180525612065
Energy: 1.1902216630857554
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Energy: 1.2152709233562984
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Energy: 1.2143297144472598
Energy: 1.212794099256841
Energy: 1.1902274494150935
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Energy: 1.2127940992563826
Energy: 1.1902274494320433
Energy: 1.2143297144463439
Energy: 1.212794099256841
Energy: 1.1902274494224232
Energy: 1.2143297144468017
Energy: 1.0842463358994898
Energy: 1.2129984162085694
Energy: 1.2131285913541545
Energy: 1.1273557705227433
Energy: 1.2129984162090273
Energy: 1.213128591351864
Energy: 1.1274039332990853
Energy: 1.2129984162090273
Energy: 1.2131285913536962
Energy: 1.127649156895856
Energy: 1.2127034004482078
Energy: 1.0850410133163464
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Energy: 1.2127034004477497
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Energy: 1.2127034004472916
Energy: 1.087056269281615
Energy: 1.2130873887218403
Energy: 1.2127034004472916
Energy: 1.2128060349744632
Energy: 1.2143180525616646
Energy: 1.1902216630843814
Energy: 1.212806034974921
Energy: 1.2143180525584578
Energy: 1.1902216631146159
Energy: 1.2128060349744632
Energy: 1.2143180525616646
Energy: 1.1902216631397697
Energy: 1.212806034974005
Energy: 1.1923017101712625
Energy: 1.2150405322290454
Energy: 1.2152709233562984
Energy: 1.1923017101708042
Energy: 1.2150405322290454
Energy: 1.2152709233572145
Energy: 1.1923017101721785
Energy: 1.2150405322290454
Energy: 1.2152709233562984
Energy: 1.1923017101708042
Energy: 1.2127940992563826
Energy: 1.190227449434334
Energy: 1.2143297144454275
Energy: 1.212794099256841
Energy: 1.1902274494430376
Energy: 1.2143297144472598
Energy: 1.2127940992554667
Energy: 1.1902274494558642
Energy: 1.2143297144454275
Energy: 1.2127940992563826
Energy: 1.2129984162094853
Energy: 1.2131285913523222
Energy: 1.1278529470905811
Energy: 1.2129984162094853
Energy: 1.2131285913536962
Energy: 1.127623624320988
Energy: 1.2129984162099434
Energy: 1.2131285913532384
Energy: 1.0855535418846116
Energy: 1.2129984162094853
Energy: 1.0825792651951607
Energy: 1.2130873887213822
Energy: 1.2127034004482078
Energy: 1.0838990293033741
Energy: 1.2130873887218403
Energy: 1.212703400448666
Energy: 1.127848035938726
Energy: 1.2130873887222984
Energy: 1.2127034004482078
Energy: 1.0838199273509914
Energy: 1.2143180525621227
Energy: 1.1902216631567193
Energy: 1.212806034974005
Energy: 1.2143180525612065
Energy: 1.1902216631594678
Energy: 1.212806034973547
Energy: 1.2143180525612065
Energy: 1.1902216631713785
Energy: 1.212806034974005
Energy: 1.214318052563039
Energy: 1.2150405322299616
Energy: 1.2152709233576728
Energy: 1.1923017101726368
Energy: 1.2150405322295035
Energy: 1.2152709233562984
Energy: 1.1923017101708042
Energy: 1.2150405322299616
Energy: 1.2152709233562984
Energy: 1.1923017101717206
Energy: 1.2150405322285873
Energy: 1.1902274494732723
Energy: 1.2143297144472598
Energy: 1.212794099257757
Energy: 1.190227449463652
Energy: 1.2143297144468017
Energy: 1.2127940992559247
Energy: 1.190227449477395
Energy: 1.2143297144468017
Energy: 1.2127940992563826
Energy: 1.1902274494842666

minimum gb energy = 1.0824893015675732 eV
minimum distance =  2.36701924456074 Angstroms
sigma value = 15


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

Energy: 1.169949465800555
Energy: 1.0820327215776113
Energy: 1.1068540515094212
Energy: 1.1143681221394366
Energy: 1.0820327321322118
Energy: 1.1068540515094212
Energy: 1.1699494658026317
Energy: 1.0820327196555897
Energy: 1.1068540515114977
Energy: 1.1143681221394366
Energy: 1.1160491559051262
Energy: 1.0647234349544954
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Energy: 1.064909424203199
Energy: 1.0840313296229949
Energy: 1.1239106403653412
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Energy: 1.1318699680771376
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Energy: 1.0660051245857065
Energy: 1.1271980658692469
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Energy: 1.0660051245898599
Energy: 1.1271980658734
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Energy: 1.1207976040971523
Energy: 1.1102443966372508
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Energy: 1.0580031876624567
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Energy: 1.2039696475675434
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Energy: 1.0819058755128679
Energy: 1.11863100076247
Energy: 1.10501229871197
Energy: 1.1153153217181357
Energy: 1.0655111074700199
Energy: 1.156757254775602
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Energy: 1.0655111074700199
Energy: 1.1567572547776785
Energy: 1.1153153217181357
Energy: 1.0655111074700199
Energy: 1.156757254775602
Energy: 1.1153153217139826
Energy: 1.0775879793689254
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Energy: 1.0651342316865275
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Energy: 1.1947263830351542
Energy: 1.065134231688604
Energy: 1.0775879793647725
Energy: 1.0796980722227878
Energy: 1.097392423674139
Energy: 1.0601902273986914
Energy: 1.0911072458213678
Energy: 1.0927992608981822
Energy: 1.0601902273986914
Energy: 1.0796980722227878
Energy: 1.0973924236762156
Energy: 1.0601902273986914
Energy: 1.0911072458234443
Energy: 1.0643351070022014
Energy: 1.0761469881315155
Energy: 1.0573720212282194
Energy: 1.064335107004278
Energy: 1.0761469881315155
Energy: 1.0573720212282194
Energy: 1.0643351070063545
Energy: 1.0761469881315155
Energy: 1.057372021230296
Energy: 1.0643351070063545
Energy: 1.0968836400515156
Energy: 1.1081696392902975
Energy: 1.0768302871230913
Energy: 1.0968836400494393
Energy: 1.1081696392882208
Energy: 1.0768302871230913
Energy: 1.0968836400473627
Energy: 1.1081696392861442
Energy: 1.0768302871210147
Energy: 1.0968836400494393
Energy: 1.0561426239605827
Energy: 1.0782673329500512
Energy: 1.0896142647599871
Energy: 1.0559709813105864
Energy: 1.0782673329500512
Energy: 1.0785130271998056
Energy: 1.0561426239605827
Energy: 1.0782673329500512
Energy: 1.0896142647620637
Energy: 1.0559709813064333
Energy: 1.1208779030930647
Energy: 1.0589419608520279
Energy: 1.1157398849718423
Energy: 1.120877903095141
Energy: 1.0589419608520279
Energy: 1.1157398849718423
Energy: 1.120877903095141
Energy: 1.0589419608541042
Energy: 1.1157398849739188
Energy: 1.1208779030972176
Energy: 1.1616921227182009
Energy: 1.1537495053513744
Energy: 1.0774757513498951
Energy: 1.1616921227202774
Energy: 1.153749505353451
Energy: 1.0774757513519717
Energy: 1.1616921227182009
Energy: 1.1537495053513744
Energy: 1.0774757513540485
Energy: 1.1616921227140478
Energy: 1.1088839700994233
Energy: 1.0634005780425169
Energy: 1.110499800682988
Energy: 1.0855432015183832
Energy: 1.0632923956630551
Energy: 1.110499800682988
Energy: 1.1088839700994233
Energy: 1.0634005780466702
Energy: 1.1104998006850646
Energy: 1.0855432015142301
Energy: 1.0807105559410155
Energy: 1.06207197166528
Energy: 1.0717497708768657
Energy: 1.0807105559451686
Energy: 1.06207197166528
Energy: 1.0717497731745929
Energy: 1.0807105559451686
Energy: 1.0620719716673566
Energy: 1.071749773504614
Energy: 1.080710555943092
Energy: 1.0911377592999798
Energy: 1.1181338863397197
Energy: 1.0846422168318652
Energy: 1.0911377592999798
Energy: 1.1181338863397197
Energy: 1.084659769397983
Energy: 1.0911377592979032
Energy: 1.1181338863397197
Energy: 1.0846422168235592
Energy: 1.0911377592999798
Energy: 1.0649388313455197
Energy: 1.1291395176757961
Energy: 1.07620709975832
Energy: 1.0649388313455197
Energy: 1.1291395176757961
Energy: 1.07620709975832
Energy: 1.0649388313455197
Energy: 1.1291395176757961
Energy: 1.0762070997603965
Energy: 1.0649388313455197
Energy: 1.095995651975776
Energy: 1.1011850944823276
Energy: 1.0912801362070437
Energy: 1.113272404436723
Energy: 1.1011850944864805
Energy: 1.0912801362070437
Energy: 1.095995651979929
Energy: 1.101185094488557
Energy: 1.0912801362070437
Energy: 1.113272404436723
Energy: 1.1137525925295635
Energy: 1.0877451930033624
Energy: 1.0940602397604053
Energy: 1.0773603374660923
Energy: 1.0877451930075153
Energy: 1.101963026264484
Energy: 1.1137525925316398
Energy: 1.0877451930075153
Energy: 1.0940602397604053
Energy: 1.0773603374640157
Energy: 1.0619061787147954
Energy: 1.21740992397112
Energy: 1.1068705045394367
Energy: 1.0619061787168722
Energy: 1.2174099239648901
Energy: 1.1068705045373601
Energy: 1.0619061787168722
Energy: 1.217409923966967
Energy: 1.1068705045373601
Energy: 1.0619061787189485
Energy: 1.075009167444232
Energy: 1.0862760219810572
Energy: 1.0652238094004418
Energy: 1.075009167444232
Energy: 1.086276021983134
Energy: 1.065223809398365
Energy: 1.0750091674463085
Energy: 1.086276021983134
Energy: 1.0652238094004418
Energy: 1.075009167448385
Energy: 1.0910044606395424
Energy: 1.1996390723827584
Energy: 1.0653232701238335
Energy: 1.091004460641619
Energy: 1.1996390723847974
Energy: 1.066915865658249
Energy: 1.091004460641619
Energy: 1.1996390723827584
Energy: 1.0653232701217568
Energy: 1.091004460641619
Energy: 1.1539431309824297
Energy: 1.127946978658631
Energy: 1.0636759247504193
Energy: 1.1539431309803532
Energy: 1.1279469786565544
Energy: 1.063675924748343
Energy: 1.1539431309824297
Energy: 1.1279469786565544
Energy: 1.0636759247504193
Energy: 1.153943130984506
Energy: 1.0901037086014125
Energy: 1.1463459683085053
Energy: 1.1311889008741922
Energy: 1.090103708599336
Energy: 1.1463459683105819
Energy: 1.1311889008721157
Energy: 1.0901037086014125
Energy: 1.1463459683105819
Energy: 1.1311889008721157
Energy: 1.090103708603489
Energy: 1.135391351782693
Energy: 1.0810334036056424
Energy: 1.0638446601596385
Energy: 1.1353913517847316
Energy: 1.0810334036035656
Energy: 1.063844660157562
Energy: 1.1353913517806162
Energy: 1.0810334036056424
Energy: 1.0638446601554854
Energy: 1.1353913517806162
Energy: 1.0488212174207936
Energy: 1.1307220421462887
Energy: 1.0891544767603238
Energy: 1.0488212174207936
Energy: 1.1307220421421356
Energy: 1.089154476758247
Energy: 1.0488212174249465
Energy: 1.1307220421400592
Energy: 1.089154476758247
Energy: 1.0488212174249465
Energy: 1.1015845259883863
Energy: 1.1012639807390083
Energy: 1.0955147491926585
Energy: 1.10158452598631
Energy: 1.1126938201100076
Energy: 1.1102568817602878
Energy: 1.1015845259883863
Energy: 1.1012639807431615
Energy: 1.0955147491947348
Energy: 1.1015845259883863
Energy: 1.1539215796894438
Energy: 1.052383200284735
Energy: 1.0831782395429397
Energy: 1.1539215796852909
Energy: 1.052383200284735
Energy: 1.0831782395408633
Energy: 1.1539215796894438
Energy: 1.0523832002826585
Energy: 1.0831782395429397
Energy: 1.1539215796894438
Energy: 1.0947672246745712
Energy: 1.2678870816093175
Energy: 1.0791103978088916
Energy: 1.0947672246745712
Energy: 1.2678870816051646
Energy: 1.0791103978068148
Energy: 1.0947672246745712
Energy: 1.2678870816051646
Energy: 1.0791103978068148
Energy: 1.0947672246745712
Energy: 1.103878532364567
Energy: 1.0690872023329985
Energy: 1.1735598359878512
Energy: 1.103878532364567
Energy: 1.0690934233851446
Energy: 1.1735598359857748
Energy: 1.103878532364567
Energy: 1.0690872023309217
Energy: 1.1735598359816217
Energy: 1.1038785323666436
Energy: 1.0808563410661711
Energy: 1.069445656741657
Energy: 1.1021777931851984
Energy: 1.0808563410661711
Energy: 1.0694456567437334
Energy: 1.1021777931872754
Energy: 1.0808563410661711
Energy: 1.0694456567437334
Energy: 1.1021777931851984
Energy: 1.0808563410640946
Energy: 1.1068594058645191
Energy: 1.0732059624649004
Energy: 1.0823223678535343
Energy: 1.1068594058624428
Energy: 1.0732059624628238
Energy: 1.08234819897007
Energy: 1.1068594058645191
Energy: 1.0732059624628238
Energy: 1.0823223678535343
Energy: 1.1068594058665957
Energy: 1.0613826924585572
Energy: 1.0558009480908093
Energy: 1.0863255316175666
Energy: 1.061382692460634
Energy: 1.0558009480908093
Energy: 1.0863255316196432
Energy: 1.0613826924627106
Energy: 1.0558009480908093
Energy: 1.0863255316196432
Energy: 1.061382692460634
Energy: 1.0774447147772983
Energy: 1.1523096209274482
Energy: 1.1131199336452275
Energy: 1.0774447147731454
Energy: 1.1523096209295247
Energy: 1.113119933647304
Energy: 1.0774447147772983
Energy: 1.1523096209274482
Energy: 1.113119933647304
Energy: 1.0774447147752217

minimum gb energy = 1.03321439381563 eV
minimum distance =  2.29805892418611 Angstroms
sigma value = 437


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

Energy: 0.9873094553326253
Energy: 1.0454451104598905
Energy: 1.043347910717377
Energy: 0.9873094553303557
Energy: 1.0454451104598905
Energy: 1.043347910717377
Energy: 0.9873094553326253
Energy: 1.045445110460647
Energy: 1.043347910717377
Energy: 0.9873094553311123
Energy: 1.096332435623892
Energy: 0.9702225990351396
Energy: 0.9704053083461487
Energy: 1.0963324356231352
Energy: 0.9702225990336266
Energy: 0.9704053083453922
Energy: 1.096332435622379
Energy: 0.9702225990343831
Energy: 0.9704053083461487
Energy: 1.0963324356231352
Energy: 1.0265039646647915
Energy: 0.9624918945395421
Energy: 1.0055526155282224
Energy: 1.0265039646647915
Energy: 0.962491894541055
Energy: 1.0055526155274659
Energy: 1.0265039646647915
Energy: 0.9624918945402986
Energy: 1.0055526155267094
Energy: 1.0265039646647915
Energy: 1.0866001112641215
Energy: 1.0015454333722602
Energy: 0.9838360579479141
Energy: 1.0866001112648782
Energy: 1.001545433370747
Energy: 0.9838360579479141
Energy: 1.0866001112641215
Energy: 1.001545433370747
Energy: 0.9838360579479141
Energy: 1.0866001112641215
Energy: 1.050082118120785
Energy: 0.9880783108482734
Energy: 1.1248518219985042
Energy: 1.0500821181396978
Energy: 0.9880783108490299
Energy: 1.1248518219985042
Energy: 1.0500821181033848
Energy: 0.9880783108482734
Energy: 1.1248518219985042
Energy: 1.0500821181865336
Energy: 0.9746640457323008
Energy: 0.9987705474200159
Energy: 0.9706559222895306
Energy: 0.9746640457323008
Energy: 0.998770547421529
Energy: 0.9706559222880176
Energy: 0.9746640457315443
Energy: 0.9987705474230419
Energy: 0.9706559222887741
Energy: 0.9746640457315443
Energy: 1.0082153813329
Energy: 1.0214456065807633
Energy: 0.9615138587115758
Energy: 1.0082153813336565
Energy: 0.9558223287967957
Energy: 0.9615138587130889
Energy: 1.0082153813336565
Energy: 0.9558223287967957
Energy: 0.9615138587115758
Energy: 1.0082153813336565
Energy: 0.9857607526520421
Energy: 1.159495913892253
Energy: 0.9831048359876624
Energy: 0.9857607526535551
Energy: 1.159495913893766
Energy: 0.9831048359884189
Energy: 0.9857607526520421
Energy: 1.159495913892253
Energy: 0.9831048359891754
Energy: 0.9857607526535551
Energy: 1.1211991211802212
Energy: 0.9826209713511441
Energy: 0.9885087091305544
Energy: 1.1211991211802212
Energy: 0.9826209713519006
Energy: 0.9885087091313111
Energy: 1.1211991211802212
Energy: 0.9826209713519006
Energy: 0.9885087091305544
Energy: 1.1211991211802212
Energy: 1.0879177465201737
Energy: 1.0831155391744927
Energy: 1.0975353645265726
Energy: 1.0879177465194172
Energy: 1.0831155391775187
Energy: 1.0975353645258163
Energy: 1.0879177465201737
Energy: 1.0831155391744927
Energy: 1.0975353645273294
Energy: 1.0879177465194172
Energy: 1.0110244486908453
Energy: 0.9770777675322581
Energy: 0.9719239906172318
Energy: 1.0110244486900886
Energy: 0.9770777675307449
Energy: 0.9719239906179884
Energy: 1.0110244486908453
Energy: 0.9770777675315016
Energy: 1.0591390289872127
Energy: 1.0110244486900886
Energy: 0.999214910562987
Energy: 0.9588591318739937
Energy: 1.021522617793786
Energy: 0.999214910561474
Energy: 0.9588591318739937
Energy: 1.021522617793786
Energy: 0.999214910562987
Energy: 0.9588591318739937
Energy: 1.0215226177930297
Energy: 0.9992149105607175
Energy: 0.9885923375905401
Energy: 1.2004934341338753
Energy: 0.9881714598079683
Energy: 0.9885923375912966
Energy: 1.2004934341353883
Energy: 0.9881714598072117
Energy: 0.9885923375905401
Energy: 1.2004934341338753
Energy: 0.9881714598079683
Energy: 0.9885923375912966
Energy: 1.0586810804975542
Energy: 0.9628151832060684
Energy: 0.9872961720422602
Energy: 1.0586810804960411
Energy: 0.9628151832053121
Energy: 0.987296172050582
Energy: 1.0586810804975542
Energy: 0.962815183206825
Energy: 0.9872961720467993
Energy: 1.0586810804967974

minimum gb energy = 0.9558223287967957 eV
minimum distance =  2.20823546113858 Angstroms
sigma value = 33