Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645769655704
cohesive_energy=4.290547130055596
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016183085968298375
Energy: 0.1676311658017137
Energy: 0.01618308596866109
Energy: 0.1676311658017137
Energy: 0.016183085968298375
Energy: 0.16763116580135098
Energy: 0.016183085968298375
Energy: 0.016736997410459555
Energy: 0.6340348774584187
Energy: 0.016736997410459555
Energy: 0.6340348774584187
Energy: 0.016736997410867614
Energy: 0.6340348774584187
Energy: 0.016736997410867614
Energy: 0.4850775351351121
Energy: 0.5594719109082339
Energy: 0.4850775351351121
Energy: 0.5594719109078259
Energy: 0.4850775351347041
Energy: 0.5594719109086194
Energy: 0.4850775351351121
Energy: 0.016736997410867614
Energy: 0.6340348774580107
Energy: 0.016736997410867614
Energy: 0.6340348774580107
Energy: 0.016736997410459555
Energy: 0.6340348774584187
Energy: 0.016736997410867614
Energy: 0.01618308596866109
Energy: 0.1676311658017137
Energy: 0.016183085969069148
Energy: 0.16763116580212178
Energy: 0.01618308596866109
Energy: 0.16763116580135098
Energy: 0.016183085969069148
Energy: 0.016736997410459555
Energy: 0.6340348774580107
Energy: 0.016736997410867614
Energy: 0.6340348774584187
Energy: 0.01673699741127567
Energy: 0.6340348774580107
Energy: 0.016736997410867614

minimum gb energy = 0.016183085968298375 eV
minimum distance =  2.47653261119244 Angstroms
sigma value = 5


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

Energy: 1.289395667869764
Energy: 1.2635613429855461
Energy: 1.289395667870739
Energy: 1.26356134399167
Energy: 1.2893956678673266
Energy: 1.263561343005044
Energy: 1.2893956678717136
Energy: 1.194707967500394
Energy: 1.1745790255427024
Energy: 1.1947079674964944
Energy: 1.1745451963393518
Energy: 1.1947079674994192
Energy: 1.1745806702934833
Energy: 1.1947079674979568
Energy: 1.1318938048492029
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Energy: 1.1318938048496905
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Energy: 1.2103739049124573
Energy: 1.1381822780905846
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Energy: 1.1381822780925341
Energy: 1.210373904912945
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Energy: 1.13610434257846
Energy: 1.2096523061583324
Energy: 1.1361043425774853
Energy: 1.2096523061593074
Energy: 1.13610434257846
Energy: 1.2096523061583324
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Energy: 1.2266686903871904
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Energy: 1.2462751552542015
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Energy: 1.1861660218141796
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Energy: 1.185288190887906
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Energy: 1.255400646941695
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Energy: 1.1357132486353647
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Energy: 1.1357132486363395
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Energy: 1.1357132486339023
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Energy: 1.1587088801914893
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Energy: 1.1211619447043975
Energy: 1.1693400563036946
Energy: 1.1211619447053724
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Energy: 1.1693400563032073
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Energy: 1.2278107453362435
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Energy: 1.1230727641345806
Energy: 1.1601288799744676
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Energy: 1.134518824446551
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Energy: 1.1322395214810983
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Energy: 1.1890976808306828
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Energy: 1.1890977286099256
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Energy: 1.1890977016688091
Energy: 1.2461314634108696
Energy: 1.1890976895071868
Energy: 1.18019888767508
Energy: 1.2441780520170707
Energy: 1.1801988876731304
Energy: 1.2441780520160957
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Energy: 1.2441780520170707
Energy: 1.1801988876736176
Energy: 1.1753926709660276
Energy: 1.2124344133975549
Energy: 1.1753926709636346
Energy: 1.2124344133985299
Energy: 1.1753926709655402
Energy: 1.2124344133970675
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Energy: 1.1221437261720828
Energy: 1.1371834100068878
Energy: 1.122143726262215
Energy: 1.1371834100059128
Energy: 1.1221437262510037
Energy: 1.1371834100068878
Energy: 1.122143726135037
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Energy: 1.160448996500962
Energy: 1.237829499812497
Energy: 1.1604489965014493
Energy: 1.237829499811522
Energy: 1.1604489965024243
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Energy: 1.1885866204870943
Energy: 1.147954314170372
Energy: 1.1885866204885567
Energy: 1.147954314170372
Energy: 1.1885866204905065
Energy: 1.1479543141689097
Energy: 1.188586620490019
Energy: 1.1735508303419155
Energy: 1.2069279183690682
Energy: 1.1735508303428903
Energy: 1.2069279183680934
Energy: 1.1735508303399658
Energy: 1.2069279183685808
Energy: 1.1735508303716051
Energy: 1.1585338459313803
Energy: 1.2038826545893642
Energy: 1.1585338459279684
Energy: 1.2038826545884336
Energy: 1.158533845929918
Energy: 1.203882654588921
Energy: 1.1585338459294305
Energy: 1.135701819170967
Energy: 1.183668527238039
Energy: 1.1357018191729167
Energy: 1.1836685272370642
Energy: 1.1357018191704793
Energy: 1.183668527239014
Energy: 1.1357018191729167
Energy: 1.131825049055798
Energy: 1.1784445329035815
Energy: 1.131825049057748
Energy: 1.1784445329045563
Energy: 1.1318250490562853
Energy: 1.1784445329035815
Energy: 1.131825049057748
Energy: 1.1568584047554242
Energy: 1.1955561120908076
Energy: 1.1568584047559116
Energy: 1.1955561120888576
Energy: 1.1568584047559116
Energy: 1.1955561120908076
Energy: 1.1568584047559116

minimum gb energy = 1.1211619447043975 eV
minimum distance =  2.31297764007706 Angstroms
sigma value = 401


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

Energy: 1.3173481303885877
Energy: 1.274116727973399
Energy: 1.3173481303896943
Energy: 1.2741167279745054
Energy: 1.3173481303919075
Energy: 1.2741167279745054
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Energy: 1.250905085749951
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Energy: 1.2161656498075735
Energy: 1.2730877394462923
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Energy: 1.217718743828231
Energy: 1.2303509058304876
Energy: 1.2177187438276775
Energy: 1.230350905831594
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Energy: 1.2303509058338074
Energy: 1.2177187438298909
Energy: 1.2175582127876672
Energy: 1.2295930755736257
Energy: 1.2175582127865607
Energy: 1.2295930755758389
Energy: 1.2175582127849007
Energy: 1.2295930755741789
Energy: 1.2175582127860074
Energy: 1.1445618215418267
Energy: 1.2734856989636623
Energy: 1.1445618215429332
Energy: 1.2734856989625558
Energy: 1.1445618215418267
Energy: 1.273485698961449
Energy: 1.1445618215429332
Energy: 1.1445022809528123
Energy: 1.3287340993467105
Energy: 1.144502280952259
Energy: 1.3287340993450505
Energy: 1.1445022809550252
Energy: 1.3287340993450505
Energy: 1.1445022809528123
Energy: 1.1773366579991422
Energy: 1.193446528793839
Energy: 1.1773366579996956
Energy: 1.1934465287954987
Energy: 1.1773366580008022
Energy: 1.193446528793839
Energy: 1.1773366580008022
Energy: 1.1771787394338604
Energy: 1.2170856911255683
Energy: 1.1771787394333073
Energy: 1.2170856911244614
Energy: 1.1771787394344138
Energy: 1.2170856911266745
Energy: 1.177178739432754
Energy: 1.288692922456724
Energy: 1.274116727973399
Energy: 1.288692922452851
Energy: 1.2741167279745054
Energy: 1.2886929224561705
Energy: 1.2741167279756123
Energy: 1.2886929224534043
Energy: 1.1338277307066014
Energy: 1.1971266877464617
Energy: 1.133827730707708
Energy: 1.1971266877481217
Energy: 1.1338277307082616
Energy: 1.197126687745355
Energy: 1.1338277307082616

minimum gb energy = 1.1338277307066014 eV
minimum distance =  2.32186813549013 Angstroms
sigma value = 311


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

Energy: 1.2340685360692216
Energy: 1.300075910880219
Energy: 1.1908180324506663
Energy: 1.237679287692794
Energy: 1.2340685360692216
Energy: 1.3000759108795799
Energy: 1.1908180324506663
Energy: 1.1739287443754696
Energy: 1.152043603732965
Energy: 1.1495483004821747
Energy: 1.1502370212522433
Energy: 1.1739287443754696
Energy: 1.1520436037336041
Energy: 1.1495483004828138
Energy: 1.1621289720794215
Energy: 1.2189414170242212
Energy: 1.1621048262170754
Energy: 1.2318540637644038
Energy: 1.1621289720781438
Energy: 1.21894141702486
Energy: 1.1621048262170754
Energy: 1.1919044235110612
Energy: 1.248645479413454
Energy: 1.2389564560391488
Energy: 1.248645479413454
Energy: 1.1919044235110612
Energy: 1.248645479414093
Energy: 1.2389564560391488
Energy: 1.280146097754907
Energy: 1.2633418653302597
Energy: 1.2800429642044873
Energy: 1.2633418653296207
Energy: 1.2801460977555459
Energy: 1.2633418653302597
Energy: 1.2800429642044873
Energy: 1.2079691383533515
Energy: 1.352196770172182
Energy: 1.2079691383533515
Energy: 1.3576052577834066
Energy: 1.2079691383539903
Energy: 1.3521967701715432
Energy: 1.2079691383533515
Energy: 1.2194176604326137
Energy: 1.3191339935696937
Energy: 1.2194176604332525
Energy: 1.3206258505657622
Energy: 1.2194176604326137
Energy: 1.3191339935696937
Energy: 1.2194176604326137
Energy: 1.2520497055632935
Energy: 1.2662757034846768
Energy: 1.2520497055632935
Energy: 1.2662757034853158
Energy: 1.2520497055632935
Energy: 1.2662757034859546
Energy: 1.2520497055626547
Energy: 1.2518460515596421
Energy: 1.2681859234364816
Energy: 1.2518460515596421
Energy: 1.2681859234364816
Energy: 1.2518460515596421
Energy: 1.2681859234364816
Energy: 1.2518460515583643
Energy: 1.149011407246178
Energy: 1.2317400324212648
Energy: 1.1490266997921137
Energy: 1.2354586813942394
Energy: 1.149011407245539
Energy: 1.2317400324219037
Energy: 1.1490266997914749
Energy: 1.1524563605711555
Energy: 1.25475938353344
Energy: 1.15249247278125
Energy: 1.2547315014004972
Energy: 1.1524563605705165
Energy: 1.254759383534079
Energy: 1.1524924727806112
Energy: 1.2659309619248544
Energy: 1.2649158082938041
Energy: 1.2659309619254935
Energy: 1.2649158082938041
Energy: 1.2659309619267711
Energy: 1.2649158082938041
Energy: 1.2659309619254935
Energy: 1.262224823235771
Energy: 1.2749048985973364
Energy: 1.262224823235771
Energy: 1.2749048985973364
Energy: 1.2622248232351319
Energy: 1.2749048985966973
Energy: 1.262224823235771
Energy: 1.1988612611648466
Energy: 1.2115933417572133
Energy: 1.1988612611642366
Energy: 1.2115933417572133
Energy: 1.1988612611648466
Energy: 1.2115933417572133
Energy: 1.1988612611635978
Energy: 1.2888186618975679
Energy: 1.205202714749076
Energy: 1.2488144175088796
Energy: 1.2060943714131427
Energy: 1.2888186618988458
Energy: 1.205202714749076
Energy: 1.2488144175082405
Energy: 1.248167515946208
Energy: 1.2671685004412998
Energy: 1.1871083773799986
Energy: 1.267168500440661
Energy: 1.2481675159455692
Energy: 1.267168500440022
Energy: 1.1871083773806375
Energy: 1.1627135331095992
Energy: 1.1978672586150558
Energy: 1.1570868569756476
Energy: 1.2156682177410025
Energy: 1.1627135331102383
Energy: 1.197867258614417
Energy: 1.1570868569762864
Energy: 1.1605767554561652
Energy: 1.2249420459958746
Energy: 1.160594772628452
Energy: 1.2297131312346863
Energy: 1.1605767554561652
Energy: 1.2249420459958746
Energy: 1.160594772628452
Energy: 1.2957984557849216
Energy: 1.390638596514176
Energy: 1.3378079519883588
Energy: 1.2753013196021716
Energy: 1.3244890592345362
Energy: 1.3906385965160928
Energy: 1.324489059235175
Energy: 1.2521271315543108
Energy: 1.3208370692209288
Energy: 1.2521271315536717
Energy: 1.3052773844489025
Energy: 1.252127131553033
Energy: 1.3208370692215678
Energy: 1.2521271315536717
Energy: 1.1998276274616881
Energy: 1.2153360066503798
Energy: 1.199827627462327
Energy: 1.2153360066503798
Energy: 1.199827627462327
Energy: 1.2153360066503798
Energy: 1.1998276274629658
Energy: 1.1933002914942004
Energy: 1.2742863595605687
Energy: 1.1933002914942004
Energy: 1.2742863595592908
Energy: 1.1933002914948394
Energy: 1.2742863595612075
Energy: 1.1933002914935618
Energy: 1.30940043312083
Energy: 1.2527249549671902
Energy: 1.2656941416089484
Energy: 1.2180978476290032
Energy: 1.3077000268943155
Energy: 1.252724954968468
Energy: 1.2367874675546011
Energy: 1.287052701174553
Energy: 1.308535226179301
Energy: 1.2338312782994054
Energy: 1.287182208670557
Energy: 1.287052701173275
Energy: 1.30853522619719
Energy: 1.2338312783000445
Energy: 1.1566249345997741
Energy: 1.197806771893605
Energy: 1.1619061706205107
Energy: 1.1994132459198124
Energy: 1.1566249345997741
Energy: 1.197806771893605
Energy: 1.161906170619872
Energy: 1.2584988623120015
Energy: 1.2947497697646086
Energy: 1.2583855946823281
Energy: 1.303360974119606
Energy: 1.2584988623120015
Energy: 1.2947497697652475
Energy: 1.2583855946823281
Energy: 1.2733364382976857
Energy: 1.263231889670671
Energy: 1.29712029328854
Energy: 1.263231889670671
Energy: 1.319737953342796
Energy: 1.263231889670032
Energy: 1.313493562356553
Energy: 1.257917641105696
Energy: 1.3361406091335657
Energy: 1.257917641106335
Energy: 1.3421371816631584
Energy: 1.257917641106335
Energy: 1.3361406091322878
Energy: 1.257917641106974
Energy: 1.2094856548428081
Energy: 1.2061368290026495
Energy: 1.2094856548434472
Energy: 1.2061368290026495
Energy: 1.2094856548428081
Energy: 1.2061368290020398
Energy: 1.2094856548428081
Energy: 1.234195356593183
Energy: 1.2704669671823832
Energy: 1.234195356593822
Energy: 1.2704669671830222
Energy: 1.2341953565944608
Energy: 1.2704669671817443
Energy: 1.234195356593183
Energy: 1.2031044032196543
Energy: 1.2675575403127146
Energy: 1.2706593634987227
Energy: 1.2675575403120756
Energy: 1.2369841433423734
Energy: 1.2675575403120756
Energy: 1.2369841433423734
Energy: 1.1538035351499731
Energy: 1.229162523370908
Energy: 1.153782768265549
Energy: 1.2485299297959218
Energy: 1.1538035351499731
Energy: 1.229162523370908
Energy: 1.1537827682636321
Energy: 1.1508218691693972
Energy: 1.1697233252257695
Energy: 1.150704564540056
Energy: 1.169634270665004
Energy: 1.1508218691687582
Energy: 1.1697233252257695
Energy: 1.1507045645406946
Energy: 1.268571658535804
Energy: 1.3168672465861864
Energy: 1.268571658535804
Energy: 1.3168672465855475
Energy: 1.2685716585351652
Energy: 1.3168672465849085
Energy: 1.2685716585351652
Energy: 1.3678418531447893
Energy: 1.311504757154001
Energy: 1.324193917329808
Energy: 1.2713128553190174
Energy: 1.3241825936580196
Energy: 1.3115047571533622
Energy: 1.324193917329808
Energy: 1.1961055652411021
Energy: 1.2182198293267108
Energy: 1.1961055652411021
Energy: 1.2182198293273498
Energy: 1.1961055652411021
Energy: 1.2182198293273498
Energy: 1.196105565241741

minimum gb energy = 1.149011407245539 eV
minimum distance =  2.22155427541463 Angstroms
sigma value = 39


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

Energy: 1.1881382215320355
Energy: 1.1804513799417862
Energy: 1.1881382215312815
Energy: 1.1804513799410319
Energy: 1.1881382215320355
Energy: 1.1804513799417862
Energy: 1.1881382215320355
Energy: 1.2348609140682327
Energy: 1.097839377482945
Energy: 1.2348609140674789
Energy: 1.097839377482945
Energy: 1.2348609140682327
Energy: 1.097839377482945
Energy: 1.2348609140674789
Energy: 1.154673626155222
Energy: 1.1307305947065072
Energy: 1.154673626155222
Energy: 1.1307305947065072
Energy: 1.154673626155222
Energy: 1.1307305947065072
Energy: 1.154673626155222
Energy: 1.2304870518581899
Energy: 1.0965263179348697
Energy: 1.2304871693021788
Energy: 1.0965263179348697
Energy: 1.2304870476707241
Energy: 1.0965263179356235
Energy: 1.2304872486889935
Energy: 1.227666865995179
Energy: 1.0971200790183544
Energy: 1.2276668659514463
Energy: 1.0971200790176006
Energy: 1.2276668659529542
Energy: 1.0971200790183544
Energy: 1.2276668659574783
Energy: 1.2305376062428612
Energy: 1.0954517473601113
Energy: 1.2305376062428612
Energy: 1.0954517473615852
Energy: 1.2305376062436153
Energy: 1.0954517473615852
Energy: 1.2305376062421072
Energy: 1.2965641418236156
Energy: 1.1315692970965487
Energy: 1.2310346333622095
Energy: 1.1315692970980566
Energy: 1.1750263673711758
Energy: 1.131569297095795
Energy: 1.1750263673711758
Energy: 1.1560568473725812
Energy: 1.0958703071115083
Energy: 1.1560568473748434
Energy: 1.0958703071122622
Energy: 1.1560568473725812
Energy: 1.0958703071115083
Energy: 1.1560568473733353
Energy: 1.2340937282172422
Energy: 1.0964094838551464
Energy: 1.2340937281629873
Energy: 1.0964094838543923
Energy: 1.2340937281531852
Energy: 1.0964094838543923
Energy: 1.234093728145645
Energy: 1.1546311716983135
Energy: 1.1542644916880118
Energy: 1.1546311716990674
Energy: 1.154264491688766
Energy: 1.1546311716983135
Energy: 1.1542644916895202
Energy: 1.1546311716990674
Energy: 1.2538343021172849
Energy: 1.1307929386106568
Energy: 1.2239028527476694
Energy: 1.1307929386106568
Energy: 1.1738562161706363
Energy: 1.1307929386106568
Energy: 1.1738562161691282
Energy: 1.15589684119892
Energy: 1.095799347279541
Energy: 1.1558968411981663
Energy: 1.095799347279541
Energy: 1.15589684119892
Energy: 1.095799347279541
Energy: 1.155896841197412
Energy: 1.196694916433197
Energy: 1.112201940696254
Energy: 1.1966953970260008
Energy: 1.1122019406955
Energy: 1.1966953859054208
Energy: 1.112201940696254
Energy: 1.196691300562204
Energy: 1.154573204531949
Energy: 1.096078814959923
Energy: 1.154573204531195
Energy: 1.096078814959169
Energy: 1.154573204532703
Energy: 1.096078814959923
Energy: 1.154573204531949
Energy: 1.276428131335063
Energy: 1.1589412469385514
Energy: 1.276428131335063
Energy: 1.1589412469393054
Energy: 1.2382575830549845
Energy: 1.1589412469400595
Energy: 1.0983500402158743
Energy: 1.1545968342416126
Energy: 1.0958953292507363
Energy: 1.1545968342423665
Energy: 1.0958953292514901
Energy: 1.1545968342408586
Energy: 1.0958953292492282
Energy: 1.1545968342423665
Energy: 1.1967291433685017
Energy: 1.1119890497821412
Energy: 1.1967288593577783
Energy: 1.1119890497821412
Energy: 1.196731204803763
Energy: 1.1119890497821412
Energy: 1.1967322005155194
Energy: 1.1558164301772558
Energy: 1.0958004708700197
Energy: 1.1558164301742395
Energy: 1.0958004708700197
Energy: 1.1558164301742395
Energy: 1.0958004708700197
Energy: 1.1558164301749936
Energy: 1.2545537877343271
Energy: 1.1308128166916107
Energy: 1.2282665709338496
Energy: 1.1308128166908564
Energy: 1.1740250302906472
Energy: 1.1308128166916107
Energy: 1.1740230522487711
Energy: 1.1546292434363765
Energy: 1.154339836802178
Energy: 1.1546292434363765
Energy: 1.154339836799916
Energy: 1.1546292434363765
Energy: 1.15433983680067
Energy: 1.1546292434363765
Energy: 1.2340508325037216
Energy: 1.096412967531871
Energy: 1.2340508325044757
Energy: 1.096412967531871
Energy: 1.2340508324962158
Energy: 1.096412967531871
Energy: 1.2340508324999515
Energy: 1.1561543655750444
Energy: 1.095710232790679
Energy: 1.1561543655757984
Energy: 1.095710232790679
Energy: 1.1561543655742903
Energy: 1.095710232790679
Energy: 1.1561543655757984
Energy: 1.3229625388824728
Energy: 1.1315643447689094
Energy: 1.3454488324627307
Energy: 1.1315643447689094
Energy: 1.2291577330951076
Energy: 1.1315643447696635
Energy: 1.2291577330935997
Energy: 1.2305222560957627
Energy: 1.095454992620849
Energy: 1.2305222560942548
Energy: 1.0954549926216028
Energy: 1.2305222560965168
Energy: 1.0954549926216028
Energy: 1.2305222560942548
Energy: 1.2278764138831668
Energy: 1.09712728593561
Energy: 1.2278764138228795
Energy: 1.09712728593561
Energy: 1.2278764138386797
Energy: 1.0971272859348562
Energy: 1.2278764139396836
Energy: 1.2302104457458956
Energy: 1.0965232004164116
Energy: 1.2302104458137224
Energy: 1.0965232004156578
Energy: 1.2302104457677276
Energy: 1.0965232004164116
Energy: 1.2302104457496656
Energy: 1.1546660475070019
Energy: 1.1307185825841077
Energy: 1.154666047507756
Energy: 1.1307185825848618
Energy: 1.1546660475070019
Energy: 1.1307185825841077
Energy: 1.154666047507756
Energy: 1.2348762312582915
Energy: 1.0980117905952864
Energy: 1.2348762312582915
Energy: 1.0980117905952864
Energy: 1.2348762312582915
Energy: 1.0980117905952864
Energy: 1.2348762312582915
Energy: 1.1881382215320355
Energy: 1.1804513799417862
Energy: 1.1881382215320355
Energy: 1.1804513799417862
Energy: 1.1881382215312815
Energy: 1.1804513799417862
Energy: 1.1881382215312815
Energy: 1.2348609140682327
Energy: 1.097839377483699
Energy: 1.2348609140682327
Energy: 1.097839377483699
Energy: 1.2348609140682327
Energy: 1.097839377483699
Energy: 1.2348609140682327

minimum gb energy = 1.0954517473601113 eV
minimum distance =  2.28405711446941 Angstroms
sigma value = 21


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

Energy: 1.1387753105438647
Energy: 1.1242100916586248
Energy: 1.1387753105438647
Energy: 1.1242100916586248
Energy: 1.1387753105438647
Energy: 1.1242100916586248
Energy: 1.1387753105438647
Energy: 1.0895816587939342
Energy: 1.0659119471511274
Energy: 1.0895816587939342
Energy: 1.0659119471511274
Energy: 1.0895816587948497
Energy: 1.0659119471511274
Energy: 1.0895816587939342
Energy: 1.1121168005401019
Energy: 1.0960245786856733
Energy: 1.1121168005391864
Energy: 1.0960245786856733
Energy: 1.1121168005391864
Energy: 1.0960245786856733
Energy: 1.1121168005391864
Energy: 1.0416345301430545
Energy: 1.0523601777588
Energy: 1.041634530142139
Energy: 1.0523601781247705
Energy: 1.0416345301430545
Energy: 1.0523601779573462
Energy: 1.041634530142139
Energy: 1.0117775470954438
Energy: 1.0536610045988624
Energy: 1.0117775470945283
Energy: 1.0536610045970316
Energy: 1.0117775470954438
Energy: 1.0536610045979469
Energy: 1.0117775470945283
Energy: 1.0247074310878295
Energy: 1.0935628102232258
Energy: 1.0247074310878295
Energy: 1.0935628102213952
Energy: 1.0247074310878295
Energy: 1.0935628102232258
Energy: 1.0247074310878295
Energy: 0.9703382315986426
Energy: 1.0053179094647493
Energy: 0.9703382315977274
Energy: 1.0053178202594988
Energy: 0.9703382315986426
Energy: 1.0053179286591696
Energy: 0.9703382315986426
Energy: 0.9864152647605335
Energy: 1.0715807752050757
Energy: 0.9864152647596184
Energy: 1.071580775205991
Energy: 0.9864152647605335
Energy: 1.0715807752050757
Energy: 0.9864152647596184
Energy: 1.042266311418306
Energy: 1.0248121656634588
Energy: 1.042266311418306
Energy: 1.0248121656643743
Energy: 1.042266311418306
Energy: 1.0248121656643743
Energy: 1.042266311418306
Energy: 1.0419552218038608
Energy: 1.243859950612664
Energy: 1.0419552218038608
Energy: 1.2438599506117485
Energy: 1.0419552218038608
Energy: 1.2438599506117485
Energy: 1.0419552218038608
Energy: 0.9705209617337672
Energy: 1.0714898854128916
Energy: 0.9705209617337672
Energy: 1.0714898854138069
Energy: 0.9705209617337672
Energy: 1.0714898854128916
Energy: 0.9705209617337672
Energy: 0.986174318220998
Energy: 1.077132385928664
Energy: 0.9861743182219134
Energy: 1.077132385928664
Energy: 0.986174318220998
Energy: 1.077132385928664
Energy: 0.986174318220998
Energy: 1.0423765900249526
Energy: 1.0248353140799118
Energy: 1.0423765900240372
Energy: 1.0248353140808273
Energy: 1.0423765900240372
Energy: 1.0248353140799118
Energy: 1.0423765900249526
Energy: 1.063144338586635
Energy: 1.0537600628017774
Energy: 1.063144338586635
Energy: 1.0537600628017774
Energy: 1.063144338586635
Energy: 1.0537600628036081
Energy: 1.063144338586635
Energy: 1.0888522440187671
Energy: 1.0714857708408219
Energy: 1.0888522440425452
Energy: 1.0714857708408219
Energy: 1.0888522439501371
Energy: 1.0714857708417374
Energy: 1.0888522440251744
Energy: 1.0906599093792904
Energy: 1.0329416341036073
Energy: 1.0906599093802056
Energy: 1.0329416341036073
Energy: 1.0906599093792904
Energy: 1.0329416341036073
Energy: 1.0906599093792904
Energy: 1.1054157801331534
Energy: 1.0567727095918205
Energy: 1.1054157801322382
Energy: 1.0567727095909052
Energy: 1.1054157801322382
Energy: 1.0567727095909052
Energy: 1.1054157801313227
Energy: 1.0961713588216488
Energy: 1.053640142186229
Energy: 1.0961713588225641
Energy: 1.0536401421926362
Energy: 1.0961713588225641
Energy: 1.0536401421843984
Energy: 1.0961713588234794
Energy: 1.0036153800176397
Energy: 1.0717075516133163
Energy: 1.003615397231219
Energy: 1.0717075516142318
Energy: 1.0036153212888712
Energy: 1.0717075516142318
Energy: 1.0036152942241579
Energy: 0.9859641200421111
Energy: 1.0244202825363211
Energy: 0.9859641200430265
Energy: 1.0244202825372364
Energy: 0.9859641200430265
Energy: 1.0244202825363211
Energy: 0.9859641200430265
Energy: 1.0420309372874128
Energy: 1.025200863285511
Energy: 1.0420309372864973
Energy: 1.0252008678199256
Energy: 1.0420309372874128
Energy: 1.0252008634556813
Energy: 1.0420309372864973
Energy: 0.9705581062365156
Energy: 1.0319918350585633
Energy: 0.9705581062365156
Energy: 1.031991678762026
Energy: 0.9705581062365156
Energy: 1.0319916593434304
Energy: 0.9705581062356003
Energy: 0.9711085780947973
Energy: 1.0716411142031093
Energy: 0.9711085780947973
Energy: 1.0716411142021938
Energy: 0.9711085780938822
Energy: 1.0716411142021938
Energy: 0.9711085780938822
Energy: 1.04139949766633
Energy: 1.0242182564690783
Energy: 1.04139949766633
Energy: 1.0242182564690783
Energy: 1.04139949766633
Energy: 1.0242182564690783
Energy: 1.04139949766633
Energy: 1.0422025259914334
Energy: 1.0099605735797719
Energy: 1.0422025259914334
Energy: 1.0099605735806874
Energy: 1.0422025259914334
Energy: 1.0099605735806874
Energy: 1.0422025259914334

minimum gb energy = 0.9703382315977274 eV
minimum distance =  2.32852556595886 Angstroms
sigma value = 113


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

Energy: 0.992544168449625
Energy: 1.2071300759687176
Energy: 0.9925441684501358
Energy: 1.2071300759682067
Energy: 0.9925441684521793
Energy: 1.2071300759687176
Energy: 0.9925441684501358
Energy: 1.0057201553151456
Energy: 0.9582869964447166
Energy: 1.005720155313102
Energy: 0.958286996442673
Energy: 1.0057201553151456
Energy: 0.9582869964431839
Energy: 1.005720155313102
Energy: 0.9994159110412041
Energy: 0.9761878327071041
Energy: 0.9994159110401822
Energy: 0.9761878327096584
Energy: 0.9994159110412041
Energy: 0.9761878327055714
Energy: 0.9994159110417149
Energy: 0.9544349663472146
Energy: 0.945479493727862
Energy: 0.954434966346193
Energy: 0.9454794937273511
Energy: 0.9544349663472146
Energy: 0.9454794937268401
Energy: 0.954434966346193
Energy: 0.9254199871144424
Energy: 1.0686791202102364
Energy: 0.9254199871175075
Energy: 1.068679120211258
Energy: 0.9254199871159751
Energy: 1.0686791202102364
Energy: 0.9254199871149532
Energy: 0.9421983595929107
Energy: 0.9579879027495608
Energy: 0.942198359591378
Energy: 0.9579879027510932
Energy: 0.9421983595929107
Energy: 0.9579879027505824
Energy: 0.9421983595903564
Energy: 0.9312994318857536
Energy: 0.9328826910163155
Energy: 0.9312994318847319
Energy: 0.932882691021424
Energy: 0.9312994318857536
Energy: 0.9328826910311302
Energy: 0.9312994318847319
Energy: 0.9456775258011866
Energy: 0.9144440879582666
Energy: 0.9456775258006758
Energy: 0.9144440879582666
Energy: 0.9456775258011866
Energy: 0.9144440879587774
Energy: 0.9456775257991431
Energy: 0.9362645639747281
Energy: 1.0178645274635953
Energy: 0.93626456397575
Energy: 1.0178645274620628
Energy: 0.9362645639752392
Energy: 1.017864527464106
Energy: 0.9362645639726848
Energy: 0.9558347507501527
Energy: 0.9192428580636897
Energy: 0.9558347507486202
Energy: 0.919242858062157
Energy: 0.9558347507496419
Energy: 0.9192428580626679
Energy: 0.9558347507481092
Energy: 0.8918898342474157
Energy: 0.9040832253317713
Energy: 0.8918898342469047
Energy: 0.9040832253307497
Energy: 0.8918898342458831
Energy: 0.9040832253317713
Energy: 0.8918898342463939
Energy: 0.9306426502355352
Energy: 0.9238210092323919
Energy: 0.9306426502350242
Energy: 0.9238210092334135
Energy: 0.9306426502355352
Energy: 0.9238210092334135
Energy: 0.9306426502340026
Energy: 0.8615691693515373
Energy: 1.0906457506066847
Energy: 0.8615691693413202
Energy: 1.0906457506036196
Energy: 0.8615691693724822
Energy: 1.090645750606174
Energy: 0.8615691693418311
Energy: 0.917728992925495
Energy: 0.9212166390541923
Energy: 0.9177289929275385
Energy: 0.9212166390547031
Energy: 0.9177289929265167
Energy: 0.9212166390541923
Energy: 0.9177289929280491
Energy: 0.9221933611771619
Energy: 0.8880854121274259
Energy: 0.9221933611786944
Energy: 0.8880854119839692
Energy: 0.9221933611776727
Energy: 0.8880854109963996
Energy: 0.9221933611786944
Energy: 0.91689770305616
Energy: 1.089538160311875
Energy: 0.9168977030551384
Energy: 1.0895381603098315
Energy: 0.9168977030571818
Energy: 1.089538160311875
Energy: 0.9168977030556492
Energy: 0.8611205388493893
Energy: 0.9118398994824348
Energy: 0.8611205388488785
Energy: 0.9118398994803915
Energy: 0.8611205388488785
Energy: 0.9118398994824348
Energy: 0.8611205388555195
Energy: 0.9202862216930061
Energy: 0.9238281216019716
Energy: 0.9202862216950031
Energy: 0.9238281215978849
Energy: 0.9202862216930061
Energy: 0.9238281215989065
Energy: 0.9202862216939814
Energy: 0.9242227908840132
Energy: 0.887909079624869
Energy: 0.9242227908835023
Energy: 0.8879090797310796
Energy: 0.9242227908845241
Energy: 0.8879090798858212
Energy: 0.9242227908835023
Energy: 0.9224587037813817
Energy: 1.0011183999226414
Energy: 0.9224587037829142
Energy: 1.0011183999216198
Energy: 0.92245870378036
Energy: 1.0011183999226414
Energy: 0.9224587037829142
Energy: 0.9249545511267083
Energy: 0.901172359483628
Energy: 0.9249545511287519
Energy: 0.9011723594841388
Energy: 0.9249545511256867
Energy: 0.9011723594856713
Energy: 0.9249545511267083
Energy: 0.9359192809419491
Energy: 0.8843629482593571
Energy: 0.9359192809383731
Energy: 0.8843628850087366
Energy: 0.9359192809404165
Energy: 0.884362981379513
Energy: 0.9359192809383731
Energy: 0.9253110465868352
Energy: 0.9007541214943466
Energy: 0.9253110465863243
Energy: 0.900754121492814
Energy: 0.9253110465863243
Energy: 0.900754121492814
Energy: 0.9253110465853026
Energy: 0.9140439004229168
Energy: 0.9531514795100932
Energy: 0.9140439003621718
Energy: 0.953151479510604
Energy: 0.914043900449481
Energy: 0.9531514795060063
Energy: 0.9140439003897578
Energy: 1.0194212398035312
Energy: 0.9389201010210265
Energy: 1.0194212398060853
Energy: 0.9389201010200048
Energy: 1.019421239804042
Energy: 0.9389201010184722
Energy: 1.0194212398050637
Energy: 0.989723552342979
Energy: 0.9422909681312298
Energy: 0.9897235523399139
Energy: 0.9422909681276539
Energy: 0.9897235523440008
Energy: 0.9422909681296971
Energy: 0.989723552342979
Energy: 0.9930532795972992
Energy: 0.9375778544185158
Energy: 0.9930532795983209
Energy: 0.9375778541101006
Energy: 0.9930532795927016
Energy: 0.9375778542796106
Energy: 0.9930532795978101
Energy: 0.9763529626541552
Energy: 1.1567647166983117
Energy: 0.9763529628522729
Energy: 1.1567647167008661
Energy: 0.9763529626521117
Energy: 1.1567647166993336
Energy: 0.9763529626546661
Energy: 1.0788072735250482
Energy: 0.9536312085497787
Energy: 1.0788072735230048
Energy: 0.9536312085472243
Energy: 1.07880727352607
Energy: 0.9536312085477353
Energy: 1.0788072735230048
Energy: 0.9863511233774069
Energy: 0.9423284503900882
Energy: 0.9863511233748526
Energy: 0.9423284503880447
Energy: 0.9863511233763853
Energy: 0.9423284503890664
Energy: 0.986351123373831
Energy: 0.9283725216015775
Energy: 0.9487798532169186
Energy: 0.9283725215980015
Energy: 0.9487798532123208
Energy: 0.9283725216005557
Energy: 0.9487798532179403
Energy: 0.9283725215990231
Energy: 0.914125289225594
Energy: 1.1273198710281915
Energy: 0.9141252892189529
Energy: 1.1273198710287022
Energy: 0.9141252892301918
Energy: 1.1273198710281915
Energy: 0.9141252892209963
Energy: 0.9123009612515467
Energy: 0.9579282920965696
Energy: 0.9123009612240072
Energy: 0.957928292095548
Energy: 0.9123009612326453
Energy: 0.9579282920965696
Energy: 0.9123009612622747
Energy: 0.916314314569973
Energy: 0.883595911979409
Energy: 0.916314314570484
Energy: 0.8835959119799198
Energy: 0.916314314569973
Energy: 0.8835959119814525
Energy: 0.9163143145715057
Energy: 0.9437803417432877
Energy: 0.9146298292852705
Energy: 0.9437803417397582
Energy: 0.9146298292878249
Energy: 0.9437803417412443
Energy: 0.9146298292852705
Energy: 0.9437803417397582
Energy: 0.9007880165668083
Energy: 1.0822216125149495
Energy: 0.9007880165668083
Energy: 1.0822216125164823
Energy: 0.9007880165668083
Energy: 1.0822216125149495
Energy: 0.9007880165662977
Energy: 0.9254864493083265
Energy: 0.9198646687640206
Energy: 0.9254864493083265
Energy: 0.9198646687609555
Energy: 0.9254864493057722
Energy: 0.9198646687640206
Energy: 0.9254864493067939
Energy: 0.9076939527392315
Energy: 0.8935585358919853
Energy: 0.9076939527366774
Energy: 0.8935585358945396
Energy: 0.9076939527376989
Energy: 0.893558535893518
Energy: 0.9076939527382097
Energy: 0.9280327497671951
Energy: 0.9000289546274391
Energy: 0.9280327497692384
Energy: 0.9000289546284609
Energy: 0.9280327497677059
Energy: 0.9000289546264174
Energy: 0.9280327497687275
Energy: 0.875590949482972
Energy: 1.0657441159234795
Energy: 0.8755909494844581
Energy: 1.065744115925012
Energy: 0.8755909494859908
Energy: 1.0657441159224579
Energy: 0.8755909494844581
Energy: 0.9175524433167669
Energy: 0.9198773985334224
Energy: 0.9175524433172778
Energy: 0.9198773985339332
Energy: 0.9175524433172778
Energy: 0.9198773985339332
Energy: 0.9175524433172778
Energy: 0.9211621661109239
Energy: 0.8910878959434867
Energy: 0.921162166113989
Energy: 0.8910878959450194
Energy: 0.9211621661109239
Energy: 0.8910878959450194
Energy: 0.921162166113989
Energy: 0.9184717379117133
Energy: 1.0863883366177516
Energy: 0.9184717379106916
Energy: 1.0863883366172407
Energy: 0.9184717379117133
Energy: 1.0863883366177516
Energy: 0.9184717379101808
Energy: 0.8754131116360903
Energy: 0.900402672033436
Energy: 0.8754131116350685
Energy: 0.9004026720354795
Energy: 0.8754131116350685
Energy: 0.9004026720349687
Energy: 0.8754131116350685
Energy: 0.9175911672479541
Energy: 0.9288835691293951
Energy: 0.9175911672459107
Energy: 0.9288835691293951
Energy: 0.9175911672479541
Energy: 0.9288835691288841
Energy: 0.9175911672453998

minimum gb energy = 0.8611205388488785 eV
minimum distance =  2.30831906065542 Angstroms
sigma value = 365


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

Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754540010769
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754540010769
Energy: 2.4998441506924314
Energy: 1.0754568356007357
Energy: 1.7658564961711205
Energy: 1.0754568356007357
Energy: 1.7658636688707385
Energy: 1.0754568356007357
Energy: 1.9347462853443091
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 1.759431171437081
Energy: 1.0754568356007357
Energy: 1.7594311714347775
Energy: 1.0754568356007357
Energy: 1.765866195089132
Energy: 1.0754568356007357
Energy: 1.934746285355827
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.3380435325555634
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754540010769
Energy: 1.934746285689686
Energy: 1.0754568356007357
Energy: 1.9347462854133899
Energy: 1.0754568356007357
Energy: 1.9347462855032027
Energy: 1.0754568356007357
Energy: 1.934746285361586
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754540010769
Energy: 0.3380435325532598
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754540010769
Energy: 1.7658621077132017
Energy: 1.0754568356007357
Energy: 1.7658594501661917
Energy: 1.0754568356007357
Energy: 1.9347462853638893
Energy: 1.0754568356007357
Energy: 1.9347462854203006
Energy: 0.3250754539999251
Energy: 0.3380435325555634
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.3380435325555634
Energy: 0.3250754539999251
Energy: 1.7594311714359294
Energy: 1.0754568356007357
Energy: 1.9347462857058109
Energy: 1.0754568356007357
Energy: 1.9347462853742554
Energy: 1.0754568356007357
Energy: 1.9347462853754074
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754539999251
Energy: 1.934746285860071
Energy: 1.0754568356007357
Energy: 1.9347462859798037
Energy: 1.0754568356007357
Energy: 1.9347462854456394
Energy: 1.0754568356007357
Energy: 1.9347462856240607
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754540010769
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754540010769
Energy: 1.9347462853569786
Energy: 1.0754568356007357
Energy: 1.9347462853397022
Energy: 1.0754568356007357
Energy: 1.9347462854433362
Energy: 1.0754568356007357
Energy: 1.9347462853546753
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 1.934746285382318
Energy: 1.0754568356007357
Energy: 1.9347462853224515
Energy: 1.0754568356007357
Energy: 1.934746285327059
Energy: 1.0754568356007357
Energy: 1.9347462855734086
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 0.3380435325555634
Energy: 0.3250754539999251
Energy: 0.33804353255441155
Energy: 0.3250754539999251
Energy: 1.9347462856355786
Energy: 1.0754568356007357
Energy: 1.9347462858831066
Energy: 1.0754568356007357
Energy: 1.9347462860120532
Energy: 1.0754568356007357
Energy: 1.9347462853938096
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754540010769
Energy: 0.3380435325532598
Energy: 0.3250754539999251
Energy: 0.3380435325532598
Energy: 0.3250754540010769
Energy: 1.9347462853224515
Energy: 1.0754568356007357
Energy: 1.934746285325907
Energy: 1.0754568356007357
Energy: 1.9347462856724356
Energy: 1.0754568356007357
Energy: 1.9347462853304882

minimum gb energy = 0.3250754539999251 eV
minimum distance =  2.31478526311709 Angstroms
sigma value = 23