Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
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=2.863657310605049
cohesive_energy=4.290337405585514
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: 0.01618052065179753
Energy: 0.16822510061889184
Energy: 0.01618052065179753
Energy: 0.16822510061929988
Energy: 0.01618052065179753
Energy: 0.16822510061889184
Energy: 0.01618052065179753
Energy: 0.016753122956406078
Energy: 0.6301134937246513
Energy: 0.016753122956406078
Energy: 0.6301134937246513
Energy: 0.016753122955998023
Energy: 0.6301134937242432
Energy: 0.016753122956406078
Energy: 0.016498560086939503
Energy: 0.5614792900402058
Energy: 0.016498560086939503
Energy: 0.5614792900406138
Energy: 0.016498560087347555
Energy: 0.5614792900406138
Energy: 0.016498560086939503
Energy: 0.016753122956768788
Energy: 0.6301134937242432
Energy: 0.016753122956406078
Energy: 0.6301134937242432
Energy: 0.01675312295558997
Energy: 0.6301134937242432
Energy: 0.016753122955998023
Energy: 0.01618052065179753
Energy: 0.16822510061929988
Energy: 0.01618052065179753
Energy: 0.16822510061929988
Energy: 0.01618052065179753
Energy: 0.16822510061929988
Energy: 0.01618052065179753
Energy: 0.016753122956406078
Energy: 0.6301134937242432
Energy: 0.016753122956768788
Energy: 0.6301134937242432
Energy: 0.016753122956406078
Energy: 0.6301134937242432
Energy: 0.016753122956406078

minimum gb energy = 0.01618052065179753 eV
minimum distance =  2.47643576009483 Angstroms
sigma value = 5


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

Energy: 1.289596364089465
Energy: 1.2646146417164086
Energy: 1.289596364089465
Energy: 1.2646146417164086
Energy: 1.2895963640889774
Energy: 1.2646146417168962
Energy: 1.2895963640899524
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Energy: 1.2089177763165482
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Energy: 1.1502999565079703
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Energy: 1.2463073293184443
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Energy: 1.223656042455405
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Energy: 1.1888100624020366
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Energy: 1.1220536897749451
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Energy: 1.122053689778357
Energy: 1.1367589883435951
Energy: 1.122053689776895
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Energy: 1.1606550896553758
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Energy: 1.1481076877603666
Energy: 1.188950202698373
Energy: 1.1481076877603666
Energy: 1.188950202698373
Energy: 1.1481076877613414
Energy: 1.1889502026973982
Energy: 1.1731964501310395
Energy: 1.206345819011868
Energy: 1.173196450128115
Energy: 1.206345819011868
Energy: 1.1731964501325018
Energy: 1.2063458190113807
Energy: 1.1731964501300647
Energy: 1.1586753867027408
Energy: 1.2042408736815973
Energy: 1.1586753867012787
Energy: 1.2042408736825723
Energy: 1.1586753867037156
Energy: 1.2042408736811099
Energy: 1.1586753867022535
Energy: 1.134809536885455
Energy: 1.1830586992083298
Energy: 1.13480953688643
Energy: 1.1830586992088172
Energy: 1.134809536885455
Energy: 1.1830586992088172
Energy: 1.134809536885455
Energy: 1.130607180491078
Energy: 1.178065393187118
Energy: 1.1306071804891284
Energy: 1.178065393187118
Energy: 1.130607180492053
Energy: 1.1780653931866303
Energy: 1.1306071804881535
Energy: 1.1566729034123835
Energy: 1.1955362915937868
Energy: 1.1566729034089713
Energy: 1.1955362915932992
Energy: 1.1566729034118959
Energy: 1.1955362915937868
Energy: 1.1566729034089713

minimum gb energy = 1.1209119372326515 eV
minimum distance =  2.31296238370971 Angstroms
sigma value = 401


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

Energy: 1.3189057697034139
Energy: 1.2746550591760477
Energy: 1.2889099151682721
Energy: 1.274655059174941
Energy: 1.318905769701754
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Energy: 1.2515072601234103
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Energy: 1.2513403608250013
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Energy: 1.2515072601206438
Energy: 1.2956993979676719
Energy: 1.2513403608266611
Energy: 1.2509854659214887
Energy: 1.295602328916808
Energy: 1.2509452236549474
Energy: 1.2955114112180144
Energy: 1.2509854659231485
Energy: 1.2956023289151481
Energy: 1.2509452236549474
Energy: 1.2031020772617693
Energy: 1.272913563834292
Energy: 1.2023972021570382
Energy: 1.2729135638331854
Energy: 1.2031020772623227
Energy: 1.272913563832632
Energy: 1.202397202154825
Energy: 1.2025733835498877
Energy: 1.3188279397693994
Energy: 1.2024357834850732
Energy: 1.3188279397688458
Energy: 1.2025733835504409
Energy: 1.3188279397677392
Energy: 1.2024357834850732
Energy: 1.1771032022210919
Energy: 1.1953560340801794
Energy: 1.1771032022227517
Energy: 1.1953560340823928
Energy: 1.1771032022221983
Energy: 1.1953560340818394
Energy: 1.1771032022227517
Energy: 1.2135400939704089
Energy: 1.215994516365614
Energy: 1.1766924320053653
Energy: 1.2159945163667205
Energy: 1.2135400939709622
Energy: 1.2159945163645074
Energy: 1.1766924320048122
Energy: 1.3189057697034139
Energy: 1.2746550591766008
Energy: 1.2889099151693788
Energy: 1.274655059174941
Energy: 1.3189057697006474
Energy: 1.2746550591738344
Energy: 1.2889099151682721
Energy: 1.1776208294356734
Energy: 1.249175106474747
Energy: 1.1328788608431637
Energy: 1.2499002129302488
Energy: 1.1776208294340131
Energy: 1.249175106474747
Energy: 1.1328788608442701

minimum gb energy = 1.1328788608426101 eV
minimum distance =  2.32206553301588 Angstroms
sigma value = 311


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

Energy: 1.1911716207641294
Energy: 1.2270494781594676
Energy: 1.1911716207634906
Energy: 1.2270494781594676
Energy: 1.1911716207634906
Energy: 1.2270494781594676
Energy: 1.1911716207641294
Energy: 1.1517094731587183
Energy: 1.1492135865008264
Energy: 1.1517094731587183
Energy: 1.1492135865001873
Energy: 1.1517094731587183
Energy: 1.1492135865008264
Energy: 1.1517094731593571
Energy: 1.162722837164877
Energy: 1.1806234906572066
Energy: 1.1625047045061567
Energy: 1.1806207460179257
Energy: 1.162722837165516
Energy: 1.1806234906578454
Energy: 1.1625047045074346
Energy: 1.3250692599728147
Energy: 1.2276465460376367
Energy: 1.3286029588796815
Energy: 1.2276465460363593
Energy: 1.3250692599728147
Energy: 1.2276465460408312
Energy: 1.3286029588790425
Energy: 1.265712017039713
Energy: 1.2641614336900182
Energy: 1.2656142447398127
Energy: 1.2641614336887403
Energy: 1.265712017039713
Energy: 1.2641614336887403
Energy: 1.2656142447404517
Energy: 1.1541496526450663
Energy: 1.2820851489415854
Energy: 1.1541496526450663
Energy: 1.2820851489409464
Energy: 1.1541496526450663
Energy: 1.2820851489415854
Energy: 1.1541496526457051
Energy: 1.1649702389673933
Energy: 1.2562560500162288
Energy: 1.1649702389673933
Energy: 1.2562560500162288
Energy: 1.1649702389673933
Energy: 1.2562560500168678
Energy: 1.1649702389673933
Energy: 1.2858605839249502
Energy: 1.2635002956561665
Energy: 1.2514800382678473
Energy: 1.2635002956555277
Energy: 1.285860583925589
Energy: 1.2635002956561665
Energy: 1.2514800382672084
Energy: 1.2719813654044354
Energy: 1.2688491452496848
Energy: 1.2512191655899825
Energy: 1.2688491452496848
Energy: 1.2719813654044354
Energy: 1.268849145249046
Energy: 1.2512191655899825
Energy: 1.1539741191998454
Energy: 1.2620121540012303
Energy: 1.1540068544824609
Energy: 1.2620850972388573
Energy: 1.1539741191992066
Energy: 1.2620121540012303
Energy: 1.1540068544824609
Energy: 1.1606703600684636
Energy: 1.281930219418046
Energy: 1.160569026155541
Energy: 1.2821577317769914
Energy: 1.1606703600671857
Energy: 1.2819302194174362
Energy: 1.1605690261542632
Energy: 1.2656733918794243
Energy: 1.2643792927134907
Energy: 1.2656733918787855
Energy: 1.2643364858165698
Energy: 1.2656733918775078
Energy: 1.2643792927128517
Energy: 1.2656733918775078
Energy: 1.2616508799072936
Energy: 1.2247341312084392
Energy: 1.2616508799079325
Energy: 1.2247341312084392
Energy: 1.2616508799079325
Energy: 1.224734131209078
Energy: 1.2616508799079325
Energy: 1.145392029814733
Energy: 1.1749958486748924
Energy: 1.145392029814733
Energy: 1.1749958486748924
Energy: 1.145392029814094
Energy: 1.1749958486748924
Energy: 1.145392029814094
Energy: 1.2479505311042407
Energy: 1.2858843292183049
Energy: 1.2479505311048797
Energy: 1.2858843292183049
Energy: 1.2479505311042407
Energy: 1.2858843292183049
Energy: 1.2479505311042407
Energy: 1.1909768895414554
Energy: 1.2183600252853635
Energy: 1.1909768895420945
Energy: 1.2183600252847246
Energy: 1.1909768895420945
Energy: 1.2183600252847246
Energy: 1.1909768895427333
Energy: 1.1976546739209448
Energy: 1.1528443960788832
Energy: 1.1976949443908023
Energy: 1.1528443960782735
Energy: 1.197654673920306
Energy: 1.152844396079522
Energy: 1.1976949443920797
Energy: 1.167533801961799
Energy: 1.2026866989582683
Energy: 1.167363069229205
Energy: 1.2037191906052263
Energy: 1.16753380196116
Energy: 1.2026866989589071
Energy: 1.167363069229205
Energy: 1.2774673464075417
Energy: 1.3094850219204006
Energy: 1.2774673464075417
Energy: 1.3094850219204006
Energy: 1.2774673464081805
Energy: 1.3094850219204006
Energy: 1.321527195267221
Energy: 1.279767794029217
Energy: 1.3095155426020504
Energy: 1.2798077319003223
Energy: 1.3095062743081487
Energy: 1.2797677940285783
Energy: 1.3095155426020504
Energy: 1.279807731900961
Energy: 1.1609497330487109
Energy: 1.1573131103169667
Energy: 1.16094973304935
Energy: 1.1573131103169667
Energy: 1.16094973304935
Energy: 1.1573131103169667
Energy: 1.1609497330487109
Energy: 1.1658644053066274
Energy: 1.272632577301401
Energy: 1.1658644053059886
Energy: 1.2739482334695904
Energy: 1.1658644053059886
Energy: 1.2726325773026785
Energy: 1.1658644053066274
Energy: 1.2106704362347358
Energy: 1.218275555697189
Energy: 1.2106704362347358
Energy: 1.21827555569655
Energy: 1.2106704362347358
Energy: 1.218275555695911
Energy: 1.2106704362340968
Energy: 1.23362587788916
Energy: 1.2862508011944926
Energy: 1.23362587788916
Energy: 1.286250801220048
Energy: 1.23362587788916
Energy: 1.2862508012040759
Energy: 1.23362587788916
Energy: 1.1510267432617334
Energy: 1.167004442646395
Energy: 1.1509838760933895
Energy: 1.1670056386013117
Energy: 1.1510267432617334
Energy: 1.167004442646395
Energy: 1.1509838760940283
Energy: 1.2441963207686961
Energy: 1.2540684787790923
Energy: 1.2439669192130876
Energy: 1.2542317500659017
Energy: 1.2441963207686961
Energy: 1.2540684787797312
Energy: 1.2439669192130876
Energy: 1.2212285022785507
Energy: 1.2635492717982788
Energy: 1.3087389915074301
Energy: 1.2635492717982788
Energy: 1.2402706174904574
Energy: 1.2635492717982788
Energy: 1.2403508746264547
Energy: 1.2066083657457558
Energy: 1.2818512735214789
Energy: 1.2066083657451168
Energy: 1.28185127352084
Energy: 1.2066083657451168
Energy: 1.28185127352084
Energy: 1.2066083657451168
Energy: 1.1569990353571202
Energy: 1.164770681910701
Energy: 1.156999035357759
Energy: 1.16477068191134
Energy: 1.1569990353571202
Energy: 1.16477068191134
Energy: 1.1569990353571202
Energy: 1.2742752512268778
Energy: 1.2034237157992893
Energy: 1.2336171584379099
Energy: 1.2052412949998839
Energy: 1.2742752512268778
Energy: 1.2034237158005672
Energy: 1.2336171584385487
Energy: 1.311941355445084
Energy: 1.26790121926495
Energy: 1.319947503703606
Energy: 1.26790121926495
Energy: 1.2585262717210972
Energy: 1.26790121926495
Energy: 1.2241126792195254
Energy: 1.1642031994788868
Energy: 1.2730225502645938
Energy: 1.164413920390476
Energy: 1.273102749510562
Energy: 1.1642031994795254
Energy: 1.2730225502639547
Energy: 1.164413920390476
Energy: 1.1602913060203328
Energy: 1.1758268832652623
Energy: 1.160426826244331
Energy: 1.1759033070975875
Energy: 1.1602913060203328
Energy: 1.1758268832652623
Energy: 1.160426826244331
Energy: 1.2683649267815134
Energy: 1.350057858382728
Energy: 1.2683649267815134
Energy: 1.3033804238286786
Energy: 1.2683649267821522
Energy: 1.350057858382728
Energy: 1.268364926782791
Energy: 1.3488969805908542
Energy: 1.3204598276570578
Energy: 1.2983206589105498
Energy: 1.3203572823062528
Energy: 1.381680867981123
Energy: 1.320459827656419
Energy: 1.325589300680589
Energy: 1.155687596039178
Energy: 1.1647176442779805
Energy: 1.155687596039178
Energy: 1.1647176442773415
Energy: 1.1556875960398167
Energy: 1.1647176442773415
Energy: 1.155687596039178

minimum gb energy = 1.145392029814094 eV
minimum distance =  2.24457128408905 Angstroms
sigma value = 39


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

Energy: 1.188854787139284
Energy: 1.2280919772020629
Energy: 1.188854787139284
Energy: 1.228091977202817
Energy: 1.188854787139284
Energy: 1.2280919772035708
Energy: 1.188854787139284
Energy: 1.2344020375660676
Energy: 1.0958410196354917
Energy: 1.2344020375660676
Energy: 1.0958410196354917
Energy: 1.2344020375645597
Energy: 1.095841019634738
Energy: 1.2344020375660676
Energy: 1.1521986145795784
Energy: 1.1287347895011637
Energy: 1.1521986145795784
Energy: 1.1287347895004098
Energy: 1.1521986145803325
Energy: 1.1287347895004098
Energy: 1.1521986145803325
Energy: 1.2478287914390451
Energy: 1.0956390790421808
Energy: 1.2478287914390451
Energy: 1.0956390790414268
Energy: 1.2478287914390451
Energy: 1.0956390790399186
Energy: 1.2478287914390451
Energy: 1.23065494107519
Energy: 1.0965639098223505
Energy: 1.230654941075944
Energy: 1.0965639098231046
Energy: 1.230654941075944
Energy: 1.0965639098208426
Energy: 1.230654941075944
Energy: 1.2477306530336842
Energy: 1.151374513892286
Energy: 1.2477306530329304
Energy: 1.1513745138915321
Energy: 1.2477306530344383
Energy: 1.151374513892286
Energy: 1.2477306530351924
Energy: 1.1734896624223428
Energy: 1.1930464267339738
Energy: 1.1734896624223428
Energy: 1.1930464267347276
Energy: 1.2247444566605943
Energy: 1.1930464267347276
Energy: 1.204056946342191
Energy: 1.2167150591601468
Energy: 1.1570602233919498
Energy: 1.2167150591601468
Energy: 1.1570602233919498
Energy: 1.2167150591601468
Energy: 1.1570602233911957
Energy: 1.2167150591609008
Energy: 1.2524115136128655
Energy: 1.157366708492613
Energy: 1.2524115136128655
Energy: 1.157366708492613
Energy: 1.2524115136121114
Energy: 1.157366708491859
Energy: 1.2524115136128655
Energy: 1.1542046143918172
Energy: 1.2032112929714254
Energy: 1.1542046143918172
Energy: 1.2032112929714254
Energy: 1.154204614391063
Energy: 1.2032112929714254
Energy: 1.154204614391063
Energy: 1.1736097625204094
Energy: 1.1970590756441553
Energy: 1.1736097625196553
Energy: 1.1970590756449093
Energy: 1.1736097625196553
Energy: 1.1970590756449093
Energy: 1.2298500636767837
Energy: 1.151647772901616
Energy: 1.0958014432743546
Energy: 1.1516477729008618
Energy: 1.0958014432728462
Energy: 1.151647772901616
Energy: 1.0958014432751084
Energy: 1.1516477729023697
Energy: 1.1877460079537578
Energy: 1.1118564719223334
Energy: 1.1877460079537578
Energy: 1.1118564719230875
Energy: 1.1877460079537578
Energy: 1.1118564719223334
Energy: 1.1877460079537578
Energy: 1.154734372510403
Energy: 1.0960898684929528
Energy: 1.154734372510403
Energy: 1.0960898684929528
Energy: 1.154734372510403
Energy: 1.0960898684937068
Energy: 1.1547343725096488
Energy: 1.1483513856436618
Energy: 1.159076727557208
Energy: 1.1483513856429077
Energy: 1.159076727557208
Energy: 1.2276506504485705
Energy: 1.159076727557208
Energy: 1.2276506504478164
Energy: 1.1545676720978957
Energy: 1.1506489484449554
Energy: 1.1545676720971416
Energy: 1.1506489484457094
Energy: 1.1545676720978957
Energy: 1.1506489484457094
Energy: 1.1545676720986497
Energy: 1.2660792222942534
Energy: 1.1569816866768479
Energy: 1.2660792223176278
Energy: 1.156981686677602
Energy: 1.2660792223417217
Energy: 1.1569816866768479
Energy: 1.2660792222022983
Energy: 1.2137239039003418
Energy: 1.1567928732116888
Energy: 1.2137239039003418
Energy: 1.1567928732124426
Energy: 1.2137239039010959
Energy: 1.1567928732116888
Energy: 1.2137239039010959
Energy: 1.2243788827020217
Energy: 1.1866659207942627
Energy: 1.2243788827020217
Energy: 1.1866659207935086
Energy: 1.2243788827027757
Energy: 1.1866659207942627
Energy: 1.2243788827020217
Energy: 1.154025014305234
Energy: 1.1981320469546235
Energy: 1.1540250143059878
Energy: 1.1981320469546235
Energy: 1.1540250143059878
Energy: 1.1981320469546235
Energy: 1.154025014305234
Energy: 1.2293404933600023
Energy: 1.0960199547629585
Energy: 1.2293404933600023
Energy: 1.0960199547629585
Energy: 1.2293404933584942
Energy: 1.0960199547637126
Energy: 1.2293404933607561
Energy: 1.152624132347985
Energy: 1.0955574812230127
Energy: 1.152624132347231
Energy: 1.0955574812222586
Energy: 1.152624132347231
Energy: 1.0955574812230127
Energy: 1.152624132347985
Energy: 1.3288960507460479
Energy: 1.1313871093280936
Energy: 1.3288960507468022
Energy: 1.1313871093265853
Energy: 1.3288960507460479
Energy: 1.1313871093273395
Energy: 1.3288960507460479
Energy: 1.2324822338192347
Energy: 1.0952236649793667
Energy: 1.2324822338192347
Energy: 1.0952236649793667
Energy: 1.2324822338192347
Energy: 1.0952236649786127
Energy: 1.2324822338199886
Energy: 1.2478132810304607
Energy: 1.1523696567736557
Energy: 1.2478132810304607
Energy: 1.1523696567729018
Energy: 1.2478132810297067
Energy: 1.1523696567729018
Energy: 1.2478132810297067
Energy: 1.2353322330845649
Energy: 1.1549336951571627
Energy: 1.2353322330838108
Energy: 1.1549336951564086
Energy: 1.2353322330830567
Energy: 1.1549336951571627
Energy: 1.2353322330823029
Energy: 1.2131070901513539
Energy: 1.1813617509404704
Energy: 1.213107090152108
Energy: 1.1813617509404704
Energy: 1.2131070901513539
Energy: 1.1813617509412244
Energy: 1.2131070901513539
Energy: 1.2344181862401147
Energy: 1.1584158704722014
Energy: 1.2344181862393608
Energy: 1.1584158704714471
Energy: 1.2344181862408687
Energy: 1.1584158704706933
Energy: 1.2344181862408687
Energy: 1.188854787137776
Energy: 1.2280919772020629
Energy: 1.18885478713853
Energy: 1.228091977202817
Energy: 1.18885478713853
Energy: 1.2280919772035708
Energy: 1.18885478713853
Energy: 1.2344020375660676
Energy: 1.0958410196354917
Energy: 1.2344020375653135
Energy: 1.0958410196354917
Energy: 1.2344020375645597
Energy: 1.095841019634738
Energy: 1.2344020375653135

minimum gb energy = 1.0952236649786127 eV
minimum distance =  2.28397771933898 Angstroms
sigma value = 21


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

Energy: 1.1383656042821342
Energy: 1.1244470110479414
Energy: 1.1383656042821342
Energy: 1.1244470110470262
Energy: 1.1383656042821342
Energy: 1.124447011048857
Energy: 1.1383656042821342
Energy: 1.1053625826085216
Energy: 1.0657213550656701
Energy: 1.1053625826515217
Energy: 1.0657213550656701
Energy: 1.1053625826661668
Energy: 1.0657213550656701
Energy: 1.1053625827210662
Energy: 1.1115004106170268
Energy: 1.4950924434497408
Energy: 1.1115004106161113
Energy: 1.4950924434488253
Energy: 1.1115004106170268
Energy: 1.4950924434497408
Energy: 1.1115004106170268
Energy: 1.0411356450782407
Energy: 1.0521608197977808
Energy: 1.0411356450773255
Energy: 1.0521608197986962
Energy: 1.0411356450782407
Energy: 1.0521608197986962
Energy: 1.0411356450773255
Energy: 1.0112532532020475
Energy: 1.0527292888339903
Energy: 1.0112532532020475
Energy: 1.0527292888349058
Energy: 1.0112532532020475
Energy: 1.0527292888339903
Energy: 1.0112532532020475
Energy: 1.023920062882159
Energy: 1.0935046879861798
Energy: 1.023920062882159
Energy: 1.0935046879870949
Energy: 1.023920062882159
Energy: 1.0935046879870949
Energy: 1.023920062882159
Energy: 0.9693380290483375
Energy: 1.2202356827180172
Energy: 0.9693380290483375
Energy: 1.2202356827171017
Energy: 0.9693380290474222
Energy: 1.2202356827171017
Energy: 0.9693380290474222
Energy: 0.9861164223600155
Energy: 1.0713948206514274
Energy: 0.9861164223591001
Energy: 1.0713948206514274
Energy: 0.9861164223591001
Energy: 1.0713948206514274
Energy: 0.9861164223591001
Energy: 1.0416599135173004
Energy: 1.0243889401439918
Energy: 1.0416599135173004
Energy: 1.0243889401449073
Energy: 1.0416599135173004
Energy: 1.0243889401439918
Energy: 1.0416599135173004
Energy: 1.0413421643274043
Energy: 1.4284174354545909
Energy: 1.0413421643274043
Energy: 1.4284174354555064
Energy: 1.0413421643274043
Energy: 1.4284174354545909
Energy: 1.0413421643274043
Energy: 0.9695085634329642
Energy: 1.0719242095357222
Energy: 0.9695085634329642
Energy: 1.0719242095357222
Energy: 0.9695085634320487
Energy: 1.0719242095357222
Energy: 0.9695085634329642
Energy: 0.9859312298156461
Energy: 1.0767469168884152
Energy: 0.9859312298156461
Energy: 1.0767469168884152
Energy: 0.9859312298156461
Energy: 1.0767469168884152
Energy: 0.9859312298165614
Energy: 1.0416027444863576
Energy: 1.024396903293503
Energy: 1.0416027444863576
Energy: 1.0243969032925875
Energy: 1.0416027444863576
Energy: 1.024396903293503
Energy: 1.0416027444863576
Energy: 1.0631179735916592
Energy: 1.2513812960266641
Energy: 1.0631179735916592
Energy: 1.2513812960257487
Energy: 1.0631179735916592
Energy: 1.2513812960257487
Energy: 1.0631179735916592
Energy: 1.0890329195019663
Energy: 1.0710865017150646
Energy: 1.0890329164607477
Energy: 1.07108650171598
Energy: 1.0890329171634126
Energy: 1.0710865017150646
Energy: 1.0890329270967845
Energy: 1.0908968955630904
Energy: 1.0332169943573537
Energy: 1.0908968955630904
Energy: 1.033216994358269
Energy: 1.0908968955621754
Energy: 1.033216994358269
Energy: 1.0908968955621754
Energy: 1.1049619435539901
Energy: 1.0564060665816246
Energy: 1.1049619435539901
Energy: 1.0564060665816246
Energy: 1.1049619435539901
Energy: 1.05640606658254
Energy: 1.1049619435539901
Energy: 1.0956515608995547
Energy: 1.2513680873054942
Energy: 1.0956515609004702
Energy: 1.251368087304579
Energy: 1.0956515609004702
Energy: 1.251368087304579
Energy: 1.0956515609004702
Energy: 1.003276970833862
Energy: 1.0717770362517145
Energy: 1.0032770084776432
Energy: 1.071777036252609
Energy: 1.003276966711197
Energy: 1.071777036252609
Energy: 1.0032769677496434
Energy: 0.985903874480899
Energy: 1.0240602441399977
Energy: 0.985903874480899
Energy: 1.0240602441399977
Energy: 0.985903874480899
Energy: 1.0240602441399977
Energy: 0.985903874480899
Energy: 1.0414107707885598
Energy: 1.0252373645388684
Energy: 1.041410770789475
Energy: 1.0252373162151345
Energy: 1.041410770789475
Energy: 1.0252373289472658
Energy: 1.0414107707885598
Energy: 0.9695555791567043
Energy: 1.0314484060877886
Energy: 0.969555579155789
Energy: 1.0314484061463494
Energy: 0.9695555791567043
Energy: 1.0314484060896194
Energy: 0.969555579155789
Energy: 0.9661599006323521
Energy: 1.0715638998627053
Energy: 0.9661599006424206
Energy: 1.0715638998627053
Energy: 0.9661599006305213
Energy: 1.0715638998627053
Energy: 0.9661599006314366
Energy: 1.040728836223148
Energy: 1.0238935568764584
Energy: 1.0407288362222324
Energy: 1.0238935568764584
Energy: 1.040728836223148
Energy: 1.0238935568764584
Energy: 1.040728836223148
Energy: 1.041745073063315
Energy: 1.0090933100202346
Energy: 1.0417450730624205
Energy: 1.0090933100211499
Energy: 1.041745073063315
Energy: 1.0090933100202346
Energy: 1.0417450730624205

minimum gb energy = 0.9661599006305213 eV
minimum distance =  2.32936149584139 Angstroms
sigma value = 113


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

Energy: 0.9918599904326221
Energy: 1.2075661458229952
Energy: 0.9918599904336438
Energy: 1.207566145823506
Energy: 0.9918599904310895
Energy: 1.207566145823506
Energy: 0.9918599904331329
Energy: 0.9883399673480975
Energy: 0.9769969295950343
Energy: 0.9883399673588252
Energy: 0.9769969295965667
Energy: 0.9883399673675096
Energy: 0.9769969295950343
Energy: 0.9883399673491191
Energy: 1.0040353686724255
Energy: 1.020625586888528
Energy: 1.0040353686724255
Energy: 1.0206255868869953
Energy: 1.0040353686729364
Energy: 1.020625586888528
Energy: 1.004035368673958
Energy: 1.0151525682485902
Energy: 0.9966486687342867
Energy: 1.0151525682465465
Energy: 0.9966486687332651
Energy: 1.015152568245525
Energy: 0.9966486687307109
Energy: 1.0151525682501226
Energy: 0.9657448387028397
Energy: 1.1909274730490869
Energy: 0.9657448387033505
Energy: 1.1909274730495978
Energy: 0.9657448387038613
Energy: 1.1909274730485762
Energy: 0.9657448387043723
Energy: 0.9945034470187348
Energy: 0.958498292876012
Energy: 0.9945034470197565
Energy: 0.9584982928770336
Energy: 0.9945034470207781
Energy: 0.9584982928770336
Energy: 0.9945034470192454
Energy: 0.9739517825241011
Energy: 1.0020272228499374
Energy: 0.9739517825230795
Energy: 1.002027222847383
Energy: 0.973951782521547
Energy: 1.0020272228478941
Energy: 0.9739517825251227
Energy: 0.9893982632320821
Energy: 0.9579558558222293
Energy: 0.9893982632325931
Energy: 0.9579558558181426
Energy: 0.9893982632331039
Energy: 0.95795585581661
Energy: 0.9893982632336147
Energy: 0.9446865907880904
Energy: 1.0550284884401846
Energy: 0.9446865907880904
Energy: 1.0550284884396737
Energy: 0.9446865907891122
Energy: 1.0550284884406953
Energy: 0.9446865907901338
Energy: 0.9555235180843276
Energy: 0.9440568712641911
Energy: 0.9555235180817735
Energy: 0.9440568712647021
Energy: 0.9555235180843276
Energy: 0.9440568712641911
Energy: 0.9555235180822843
Energy: 0.9217317686435498
Energy: 0.9375182955301371
Energy: 0.9217317686461041
Energy: 0.9375182955321805
Energy: 0.9217317686455933
Energy: 0.9375182955286046
Energy: 0.9217317686445715
Energy: 0.9576245678756596
Energy: 0.9231398172943023
Energy: 0.9576245678756596
Energy: 0.9231398172932807
Energy: 0.9576245678761705
Energy: 0.9231398172948132
Energy: 0.9576245678736163
Energy: 0.9035340318103591
Energy: 1.1151433672060365
Energy: 0.9035340318088266
Energy: 1.115143367204504
Energy: 0.9035340318118917
Energy: 1.1151433672050148
Energy: 0.9035340318118917
Energy: 0.9173004391247235
Energy: 0.9208826297993046
Energy: 0.91730043912268
Energy: 0.9208826297982827
Energy: 0.9173004391242127
Energy: 0.9208826297987937
Energy: 0.9173004391237018
Energy: 0.9289152331991058
Energy: 0.9173575114325329
Energy: 0.9289152331985949
Energy: 0.917357512860724
Energy: 0.9289152331980842
Energy: 0.9173575058361023
Energy: 0.9289152331980842
Energy: 0.9163260074090077
Energy: 1.0187045108559563
Energy: 0.9163260074079861
Energy: 1.0187045108554453
Energy: 0.9163260074054317
Energy: 1.0187045108554453
Energy: 0.9163260074084969
Energy: 0.8607769406971767
Energy: 0.9294466121746784
Energy: 0.8607769406956443
Energy: 0.9294466121721242
Energy: 0.860776940696666
Energy: 0.929446612173146
Energy: 0.8607769406920683
Energy: 0.9197389171839607
Energy: 0.9233361342256642
Energy: 0.9197389171844716
Energy: 0.9233361342236207
Energy: 0.9197389171839607
Energy: 0.9233361342236207
Energy: 0.9197389171834498
Energy: 0.9469959964430741
Energy: 0.8873945544475534
Energy: 0.9469959964405198
Energy: 0.887394554474071
Energy: 0.9469959964415416
Energy: 0.8873945543949361
Energy: 0.9469959964405198
Energy: 0.9233338088800579
Energy: 1.0084401844344357
Energy: 0.9233338088805687
Energy: 1.0084401844344357
Energy: 0.923333808879547
Energy: 1.0084401844339248
Energy: 0.9233338088800579
Energy: 0.9245711806085335
Energy: 0.9007688366964142
Energy: 0.9245711806121095
Energy: 0.9007688366964142
Energy: 0.9245711806095552
Energy: 0.9007688366969251
Energy: 0.9245711806121095
Energy: 0.9359745642291215
Energy: 0.883377994021674
Energy: 0.9359745642280998
Energy: 0.883378791015265
Energy: 0.9359745642286106
Energy: 0.8833745017656427
Energy: 0.9359745642280998
Energy: 0.9249129801181095
Energy: 0.9006563471970943
Energy: 0.9249129801191314
Energy: 0.9006563471950509
Energy: 0.9249129801181095
Energy: 0.9006563471981158
Energy: 0.924912980120153
Energy: 0.9136696489321654
Energy: 1.0567159408664286
Energy: 0.9136696489311438
Energy: 1.0567159408669395
Energy: 0.9136696489321654
Energy: 1.0567159408674502
Energy: 0.9136696489306328
Energy: 1.0195310823341563
Energy: 0.9390499487186469
Energy: 1.019531082335689
Energy: 0.9390499487171143
Energy: 1.019531082334667
Energy: 0.9390499487186469
Energy: 1.019531082335689
Energy: 0.9544326933285746
Energy: 0.942443265558199
Energy: 0.9544326933152926
Energy: 0.9424432655592209
Energy: 0.9544326933142707
Energy: 0.9424432655561557
Energy: 0.9544326933219335
Energy: 0.9930363248689573
Energy: 1.0479269992876281
Energy: 0.9930363248684465
Energy: 1.0479269994433902
Energy: 0.9930363248689573
Energy: 1.0479269993167464
Energy: 0.9930363248684465
Energy: 0.9761714912315648
Energy: 1.1320525608536853
Energy: 0.9761714913071239
Energy: 1.132052563134621
Energy: 0.9761714913066131
Energy: 1.1320525600918259
Energy: 0.9761714912637484
Energy: 1.080204567770029
Energy: 0.9865219357720781
Energy: 1.0802045677695182
Energy: 0.9865219357715673
Energy: 1.080204567770029
Energy: 0.9865219357710563
Energy: 1.0802045677695182
Energy: 1.012947569877035
Energy: 0.9975681990982135
Energy: 1.0129475698780566
Energy: 0.9975681975316291
Energy: 1.0129475698780566
Energy: 0.997568194983613
Energy: 1.0129475698811217
Energy: 0.9800936805480878
Energy: 0.988303918073048
Energy: 0.9800936805465552
Energy: 0.9883039180750913
Energy: 0.9800936805496204
Energy: 0.988303918073048
Energy: 0.9800936805496204
Energy: 0.961101339329129
Energy: 1.1576961033017392
Energy: 0.961101339329129
Energy: 1.1576961033012285
Energy: 0.9611013393265747
Energy: 1.1576961032991853
Energy: 0.961101339329129
Energy: 1.0509855214105106
Energy: 0.9800519067988169
Energy: 1.0509855214089783
Energy: 0.9800519067962629
Energy: 1.0509855214079566
Energy: 0.9800519067952411
Energy: 1.0509855214084673
Energy: 0.9764405079780649
Energy: 0.9262873459299731
Energy: 0.9764405079801082
Energy: 0.9262873459299731
Energy: 0.9764405079780649
Energy: 0.9262873459284406
Energy: 0.9764405079765324
Energy: 0.9881571029393127
Energy: 1.0575134829561343
Energy: 0.9881571029388019
Energy: 1.0575134829520478
Energy: 0.9881571029403344
Energy: 1.057513482954602
Energy: 0.9881571029393127
Energy: 0.9295567907297491
Energy: 1.1208014895750804
Energy: 0.9295567907312816
Energy: 1.1208014895755911
Energy: 0.92955679073026
Energy: 1.1208014895776346
Energy: 0.9295567907312816
Energy: 1.0222463244783737
Energy: 0.9675750409207641
Energy: 1.0222463244768412
Energy: 0.9675750409192316
Energy: 1.0222463244778628
Energy: 0.9675750409171882
Energy: 1.0222463244773519
Energy: 0.934808510429873
Energy: 0.9168905847948043
Energy: 0.9348085104303838
Energy: 0.9168905847978692
Energy: 0.9348085104278296
Energy: 0.9168905847973586
Energy: 0.9348085104262971
Energy: 0.9718662554865287
Energy: 0.8992211756805114
Energy: 0.9718662554860178
Energy: 0.8992211756820438
Energy: 0.9718662554860178
Energy: 0.899221175681533
Energy: 0.9718662554855069
Energy: 0.9174779076049256
Energy: 1.1376849851576485
Energy: 0.9174779076059473
Energy: 1.1376849851586701
Energy: 0.9174779076085016
Energy: 1.1376849851586701
Energy: 0.9174779076069691
Energy: 0.9175084012347785
Energy: 0.9194724818272804
Energy: 0.9175084012347785
Energy: 0.9194724818277912
Energy: 0.9175084012352893
Energy: 0.9194724818272804
Energy: 0.9175084012352893
Energy: 0.9427146012085145
Energy: 0.9181071650767337
Energy: 0.9427146012090253
Energy: 0.9181071650757119
Energy: 0.9427146012090253
Energy: 0.9181071650752011
Energy: 0.9427146012080035
Energy: 0.9179821222258379
Energy: 1.0942959186215622
Energy: 0.9179821222258379
Energy: 1.0942959186210515
Energy: 0.9179821222258379
Energy: 1.094295918619008
Energy: 0.9179821222258379
Energy: 0.8751443529107001
Energy: 0.9495110265738768
Energy: 0.8751443529101893
Energy: 0.9495110265728551
Energy: 0.8751443529117218
Energy: 0.9495110265728551
Energy: 0.8751443529107001
Energy: 0.9173153786825026
Energy: 0.9280757249865008
Energy: 0.9173153786830134
Energy: 0.9280757249854791
Energy: 0.9173153786830134
Energy: 0.9280757249854791
Energy: 0.9173153786825026

minimum gb energy = 0.8607769406920683 eV
minimum distance =  2.30603209046924 Angstroms
sigma value = 365


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

Energy: 0.324869745744718
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.324869745744718
Energy: 0.33766180522711103
Energy: 0.324869745744718
Energy: 1.9337441776655722
Energy: 1.0752464383427214
Energy: 1.7649195225185088
Energy: 1.0752464383427214
Energy: 1.7649779511360657
Energy: 1.0752464383427214
Energy: 1.7649872522355243
Energy: 0.3248697457435662
Energy: 0.3376618052259593
Energy: 0.3248697457435662
Energy: 0.3376618052259593
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 1.9337441776655722
Energy: 1.0752464383415696
Energy: 1.9337441776586615
Energy: 1.0752464383415696
Energy: 1.9337441776713309
Energy: 1.0752464383415696
Energy: 1.933744177689759
Energy: 0.3248697457435662
Energy: 0.3376618052259593
Energy: 0.324869745744718
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.324869745744718
Energy: 1.9337441776655722
Energy: 1.0752464383415696
Energy: 1.9337441776621167
Energy: 1.0752464383427214
Energy: 1.9337441776540807
Energy: 1.0752464383427214
Energy: 1.9337441776506252
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 1.9337441777012772
Energy: 1.0752464383427214
Energy: 1.7649405995048595
Energy: 1.0752464383415696
Energy: 1.7653888725011335
Energy: 1.0752464383415696
Energy: 1.765000397216656
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.324869745744718
Energy: 1.9337441776494735
Energy: 1.0752464383415696
Energy: 1.9337441776494735
Energy: 1.0752464383415696
Energy: 1.9337441776494735
Energy: 1.0752464383415696
Energy: 1.9337441776678754
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 1.9337441776655722
Energy: 1.0752464383415696
Energy: 1.9337441776563842
Energy: 1.0752464383427214
Energy: 1.9337441776863038
Energy: 1.0752464383415696
Energy: 1.9337441776552324
Energy: 0.324869745744718
Energy: 0.33766180522711103
Energy: 0.324869745744718
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.324869745744718
Energy: 1.9337441776701794
Energy: 1.0752464383415696
Energy: 1.9337441776506252
Energy: 1.0752464383415696
Energy: 1.9337441776517768
Energy: 1.0752464383415696
Energy: 1.9337441776713309
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.3376618052259593
Energy: 0.3248697457435662
Energy: 1.9337441776563842
Energy: 1.0752464383415696
Energy: 1.9337441776517768
Energy: 1.0752464383415696
Energy: 1.9337441776517768
Energy: 1.0752464383415696
Energy: 1.9337441776506252
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.324869745744718
Energy: 1.9337441776932145
Energy: 1.0752464383415696
Energy: 1.9337441776874558
Energy: 1.0752464383427214
Energy: 1.9337441776517768
Energy: 1.0752464383415696
Energy: 1.9337441776563842
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 0.33766180522711103
Energy: 0.3248697457435662
Energy: 1.9337441776655722
Energy: 1.0752464383415696
Energy: 1.9337441776517768
Energy: 1.0752464383415696
Energy: 1.9337441776563842
Energy: 1.0752464383415696
Energy: 1.9337441776506252

minimum gb energy = 0.3248697457435662 eV
minimum distance =  2.3150976300481 Angstroms
sigma value = 23