Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_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=2.851000025868416
cohesive_energy=4.290337375544713
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: 0.016327132879160988
Energy: 0.19492592581389212
Energy: 0.016327132878749304
Energy: 0.19492592581389212
Energy: 0.016327132878749304
Energy: 0.19492592581389212
Energy: 0.016327132878749304
Energy: 0.01693784494037532
Energy: 0.6418085551113222
Energy: 0.01693784493996364
Energy: 0.641808555111734
Energy: 0.01693784493996364
Energy: 0.6418085551113222
Energy: 0.01693784493996364
Energy: 1.1109768023362376
Energy: 0.5933441342050069
Energy: 1.4412546852754626
Energy: 0.5933441342045952
Energy: 0.016622822928449445
Energy: 0.5933441342041835
Energy: 0.016622822928449445
Energy: 0.01693784493996364
Energy: 0.6418085551109106
Energy: 0.01693784493996364
Energy: 0.6418085551109106
Energy: 0.01693784493996364
Energy: 0.641808555111734
Energy: 0.01693784493996364
Energy: 0.016327132879160988
Energy: 0.19492592581389212
Energy: 0.016327132878749304
Energy: 0.19492592581348045
Energy: 0.016327132878749304
Energy: 0.19492592581389212
Energy: 0.016327132878749304
Energy: 0.01693784494037532
Energy: 0.6418085551113222
Energy: 0.01693784493996364
Energy: 0.6418085551113222
Energy: 0.01693784493996364
Energy: 0.6418085551113222
Energy: 0.01693784493996364

minimum gb energy = 0.016327132878749304 eV
minimum distance =  2.46528423714462 Angstroms
sigma value = 5


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

Energy: 1.3161731475376555
Energy: 1.359355472341176
Energy: 1.3161731475125749
Energy: 1.359355472341176
Energy: 1.3161731474167235
Energy: 1.359355472343635
Energy: 1.3161731473877087
Energy: 1.2558873375093138
Energy: 1.2044583693454876
Energy: 1.2558873375112811
Energy: 1.2044585872816966
Energy: 1.255887337508822
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Energy: 1.2558873375117727
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Energy: 1.2530237246210556
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Energy: 1.2530237246215472
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Energy: 1.2192675764382173
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Energy: 1.2192675764382173
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Energy: 1.1834535586569987
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Energy: 1.285512515053196
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Energy: 1.2855125150551632
Energy: 1.2876532168289698
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Energy: 1.211126036085322
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Energy: 1.2111260360863054
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Energy: 1.173326473504915
Energy: 1.2773324291734924
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Energy: 1.277332429173984
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Energy: 1.2677509472700312
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Energy: 1.2452475238167726
Energy: 1.2989240121268588
Energy: 1.2680434493482755
Energy: 1.298924012125383
Energy: 1.2680434492986505
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Energy: 1.2680434492991424
Energy: 1.2989240121273504
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Energy: 1.1795330968556115
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Energy: 1.1795330968565951
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Energy: 1.1795330968541362
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Energy: 1.2555082265956212
Energy: 1.1943663476672952
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Energy: 1.1943663476692623
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Energy: 1.149651580795549
Energy: 1.164754518485164
Energy: 1.1496515807940737
Energy: 1.1647545184846722
Energy: 1.1496515807960408
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Energy: 1.1969431454283728
Energy: 1.1975798208617245
Energy: 1.1969431000739053
Energy: 1.1975798208636916
Energy: 1.1969430999190855
Energy: 1.1975798208612327
Energy: 1.234890592771407
Energy: 1.2563894326888905
Energy: 1.2348905927704235
Energy: 1.2563894326903657
Energy: 1.2348905927728822
Energy: 1.2563894326893823
Energy: 1.2348905927704235
Energy: 1.1747167651738561
Energy: 1.2128643397526158
Energy: 1.1747167651753316
Energy: 1.2128643397535994
Energy: 1.1747167651723807
Energy: 1.2128643397516323
Energy: 1.1747167651738561
Energy: 1.1461436667239786
Energy: 1.2205700637963894
Energy: 1.1461436667225033
Energy: 1.2205700637954058
Energy: 1.1461436667244704
Energy: 1.2205700637963894
Energy: 1.1461436667220115
Energy: 1.1418266152844128
Energy: 1.1859448990568917
Energy: 1.1418266152844128
Energy: 1.1859448990544326
Energy: 1.141826615283429
Energy: 1.1859448990554162
Energy: 1.1418266152849044
Energy: 1.1692505253657197
Energy: 1.2022783273683775
Energy: 1.169250525364736
Energy: 1.2022783273703446
Energy: 1.169250525364736
Energy: 1.202278327367394
Energy: 1.1692505253642445

minimum gb energy = 1.132613807586295 eV
minimum distance =  2.3186858648435 Angstroms
sigma value = 401


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

Energy: 1.302477553224509
Energy: 1.298047266297097
Energy: 1.3024775532150192
Energy: 1.298047266297097
Energy: 1.3024775532133446
Energy: 1.2980472662965385
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Energy: 1.1692941258265879
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Energy: 1.2601070614128325
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Energy: 1.2630138730767828
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Energy: 1.2630138730767828
Energy: 1.2629781749436655
Energy: 1.2670573228048374
Energy: 1.2629781749436655
Energy: 1.2670573228048374
Energy: 1.262978174944782
Energy: 1.2670573228053956
Energy: 1.2629781749436655
Energy: 1.1860284963881016
Energy: 1.2252735565001232
Energy: 1.186028496386427
Energy: 1.2252735565001232
Energy: 1.1860284963875432
Energy: 1.2252735565001232
Energy: 1.186028496389218
Energy: 1.1714311727863698
Energy: 1.2613068514380863
Energy: 1.1714311727835787
Energy: 1.2613068514358536
Energy: 1.171431172784695
Energy: 1.2613068514375283
Energy: 1.1714311727863698
Energy: 1.1743665100655183
Energy: 1.177678572534187
Energy: 1.17436651006496
Energy: 1.1776785725364198
Energy: 1.1743665100660767
Energy: 1.1776785725330703
Energy: 1.1743665100655183
Energy: 1.240867524603413
Energy: 1.2007943883224208
Energy: 1.2408675246056462
Energy: 1.2007943883224208
Energy: 1.2408675246073209
Energy: 1.2007943883213044
Energy: 1.2408675246073209
Energy: 1.3495383310107594
Energy: 1.2735008186916366
Energy: 1.3495383310079685
Energy: 1.2735008186927528
Energy: 1.3495383310113178
Energy: 1.273500818693311
Energy: 1.3495383310113178
Energy: 1.1596114920830993
Energy: 1.2439471895115886
Energy: 1.1596114920847738
Energy: 1.2439471895132126
Energy: 1.1596114920847738
Energy: 1.243947189514887
Energy: 1.159611492082541

minimum gb energy = 1.1363855290896152 eV
minimum distance =  2.30749385560392 Angstroms
sigma value = 311


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

Energy: 1.2609464288185535
Energy: 1.2231365649020396
Energy: 1.2047909885891086
Energy: 1.280139328413612
Energy: 1.260946428819198
Energy: 1.2231365649020396
Energy: 1.2047909885878194
Energy: 1.2138515791995352
Energy: 1.1882607919458015
Energy: 1.2208305371773815
Energy: 1.184708818134653
Energy: 1.2138515791995352
Energy: 1.1882607919470907
Energy: 1.2208305371760924
Energy: 1.1372727049196356
Energy: 1.160667000280274
Energy: 1.1373202404100553
Energy: 1.2534205248079797
Energy: 1.1372727049189912
Energy: 1.1606670002809185
Energy: 1.1373202404100553
Energy: 1.2957880689640813
Energy: 1.2370320723957602
Energy: 1.2957478625970336
Energy: 1.2370320723951158
Energy: 1.2957880689640813
Energy: 1.2370320723957602
Energy: 1.2957478625963892
Energy: 1.27199000156357
Energy: 1.2169297405730826
Energy: 1.2718963071469596
Energy: 1.2169297405730826
Energy: 1.271990001562281
Energy: 1.216929740573727
Energy: 1.2718963071476042
Energy: 1.1479727184959891
Energy: 1.2204666958718324
Energy: 1.1479727184966337
Energy: 1.2204666958718324
Energy: 1.1479727184966337
Energy: 1.220466695872477
Energy: 1.1479727184966337
Energy: 1.1432549977066035
Energy: 1.2683516893776163
Energy: 1.143254997707248
Energy: 1.2683516893776163
Energy: 1.143254997707248
Energy: 1.2683516893776163
Energy: 1.1432549977066035
Energy: 1.2334703011776493
Energy: 1.2190621503352537
Energy: 1.2334703011776493
Energy: 1.2190621503352537
Energy: 1.2334703011770047
Energy: 1.2190621503352537
Energy: 1.2334703011776493
Energy: 1.25946868152802
Energy: 1.1979893426023465
Energy: 1.2594686815273755
Energy: 1.1979893426023465
Energy: 1.2594686815273755
Energy: 1.1979893426023465
Energy: 1.2594686815273755
Energy: 1.1377220156516945
Energy: 1.2366075792798117
Energy: 1.1371924510439875
Energy: 1.2366030743065064
Energy: 1.1377220156523389
Energy: 1.2366075792798117
Energy: 1.137192451043343
Energy: 1.174420819753031
Energy: 1.2749074041091428
Energy: 1.174457179851622
Energy: 1.2748518897158694
Energy: 1.174420819753031
Energy: 1.2749074041110766
Energy: 1.1744571798509773
Energy: 1.2334405656082363
Energy: 1.2773523679138445
Energy: 1.233440565607592
Energy: 1.2570407485118367
Energy: 1.2334405656082363
Energy: 1.2773523679138445
Energy: 1.2334405656082363
Energy: 1.2582218740376037
Energy: 1.2623343856684286
Energy: 1.2582218740376037
Energy: 1.262334385669073
Energy: 1.2582218740382483
Energy: 1.262334385669073
Energy: 1.2582218740376037
Energy: 1.152474060022481
Energy: 1.1860740948605466
Energy: 1.1524740600211918
Energy: 1.186074094859902
Energy: 1.1524740600211918
Energy: 1.1860740948592576
Energy: 1.1524740600211918
Energy: 1.2122527680458062
Energy: 1.3051508862856929
Energy: 1.2122527680451616
Energy: 1.305150886284404
Energy: 1.2122527680438724
Energy: 1.305150886284404
Energy: 1.2122527680458062
Energy: 1.2025095367152896
Energy: 1.2777144162783582
Energy: 1.202509536714645
Energy: 1.2777144162777136
Energy: 1.2025095367140004
Energy: 1.2777144162777136
Energy: 1.202509536714645
Energy: 1.1890695081335645
Energy: 1.2005079931111577
Energy: 1.1941244896771428
Energy: 1.2005079931111577
Energy: 1.18906950813292
Energy: 1.2005079931111577
Energy: 1.1941244896777874
Energy: 1.1516230119270006
Energy: 1.121785561806931
Energy: 1.151776589502256
Energy: 1.1217618777648561
Energy: 1.1516230119276452
Energy: 1.121785561806931
Energy: 1.151776589502256
Energy: 1.2620007987139208
Energy: 1.2894755823971185
Energy: 1.2533312615816576
Energy: 1.2894755823971185
Energy: 1.2632186600735273
Energy: 1.289475582397763
Energy: 1.2632186600735273
Energy: 1.271400074667202
Energy: 1.2759781842390214
Energy: 1.2383454431011989
Energy: 1.2516653342137936
Energy: 1.2714000746665575
Energy: 1.2759781842383768
Energy: 1.2383454430999097
Energy: 1.148845481014063
Energy: 1.1395519685843374
Energy: 1.1488454810147075
Energy: 1.1395519685843374
Energy: 1.148845481015352
Energy: 1.1395519685836928
Energy: 1.1488454810147075
Energy: 1.1477154429944765
Energy: 1.1551764625223317
Energy: 1.1477154429944765
Energy: 1.2783547849430996
Energy: 1.1477154429938317
Energy: 1.155176462521043
Energy: 1.1477154429938317
Energy: 1.2980774775033825
Energy: 1.2130781605727627
Energy: 1.2332294056280155
Energy: 1.265321819486809
Energy: 1.2980774775033825
Energy: 1.2130781605734073
Energy: 1.2648696364783787
Energy: 1.234723958302219
Energy: 1.2493406942719874
Energy: 1.244361392472572
Energy: 1.2244657027599972
Energy: 1.2347239583028637
Energy: 1.2493406940587217
Energy: 1.2443613924732166
Energy: 1.146108885686327
Energy: 1.1445237959376053
Energy: 1.1207357853300366
Energy: 1.1726519472451267
Energy: 1.1461088856856825
Energy: 1.144523795936961
Energy: 1.1207357853300366
Energy: 1.2736234355492506
Energy: 1.1404513424850198
Energy: 1.284667895590789
Energy: 1.2802598439033523
Energy: 1.2736234355498952
Energy: 1.1404513424850198
Energy: 1.2846678955901445
Energy: 1.2628213086102957
Energy: 1.2034723109914305
Energy: 1.2102760498508127
Energy: 1.2034723109901415
Energy: 1.2371888882166888
Energy: 1.2034723109907859
Energy: 1.237109316838087
Energy: 1.2863594667345468
Energy: 1.198303026449071
Energy: 1.2863594667351912
Energy: 1.198303026447782
Energy: 1.2863594667351912
Energy: 1.198303026447782
Energy: 1.2863594667345468
Energy: 1.182909392766196
Energy: 1.1727203436291032
Energy: 1.1829093927668406
Energy: 1.1727203436297475
Energy: 1.1829093927668406
Energy: 1.1727203436291032
Energy: 1.1829093927668406
Energy: 1.232069246773176
Energy: 1.21689739363649
Energy: 1.2320692467738206
Energy: 1.2184804788927739
Energy: 1.2320692467725316
Energy: 1.2168973936358454
Energy: 1.2320692467725316
Energy: 1.2111715201671502
Energy: 1.2130655675331754
Energy: 1.257405089930787
Energy: 1.2130655675331754
Energy: 1.214766054843133
Energy: 1.2130655675331754
Energy: 1.2147660548437773
Energy: 1.1529294268118455
Energy: 1.2299760509486146
Energy: 1.1528472994004195
Energy: 1.2298418781537053
Energy: 1.15292942681249
Energy: 1.2299760509473254
Energy: 1.1528472994004195
Energy: 1.1368519947685871
Energy: 1.1458580235201816
Energy: 1.1368462403526531
Energy: 1.146038797337705
Energy: 1.1368519947692317
Energy: 1.1458580235201816
Energy: 1.1368462403526531
Energy: 1.2346526648807046
Energy: 1.2568050628465093
Energy: 1.2346526648813492
Energy: 1.279110121871022
Energy: 1.2346526648807046
Energy: 1.2568050628465093
Energy: 1.2346526648813492
Energy: 1.2766114870731835
Energy: 1.3246175694720868
Energy: 1.2767655518274963
Energy: 1.3256083011260948
Energy: 1.326022916265067
Energy: 1.3246175694714422
Energy: 1.222965668711724
Energy: 1.1415062817481263
Energy: 1.129238755762789
Energy: 1.1415062817474817
Energy: 1.1292387557634336
Energy: 1.1415062817468373
Energy: 1.129238755762789
Energy: 1.1415062817474817

minimum gb energy = 1.1207357853300366 eV
minimum distance =  2.26089943234144 Angstroms
sigma value = 39


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

Energy: 1.1831048417147283
Energy: 1.2604985121828136
Energy: 1.1831048417147283
Energy: 1.2604985121828136
Energy: 1.1831048417139678
Energy: 1.2604985121828136
Energy: 1.1831048417132068
Energy: 1.2328040345644689
Energy: 1.1302742961389691
Energy: 1.2328040345644689
Energy: 1.13036064709166
Energy: 1.2328040345637084
Energy: 1.1302742961389691
Energy: 1.2328040345644689
Energy: 1.1750802075149929
Energy: 1.176891921936764
Energy: 1.175132373174712
Energy: 1.178985385090021
Energy: 1.1750802075157532
Energy: 1.1768919219375245
Energy: 1.1751323731762335
Energy: 1.2965595913142949
Energy: 1.1615992354707316
Energy: 1.2965595913158163
Energy: 1.1615486605019685
Energy: 1.2965595913150556
Energy: 1.1615992354707316
Energy: 1.2965595913150556
Energy: 1.2657792987733203
Energy: 1.126249747145243
Energy: 1.258649855358793
Energy: 1.1262993436763438
Energy: 1.2657792987756027
Energy: 1.126249747145243
Energy: 1.258649855358793
Energy: 1.2243181402180296
Energy: 1.165240709348795
Energy: 1.224318140217269
Energy: 1.1652407093495558
Energy: 1.2243181402180296
Energy: 1.1652407093472736
Energy: 1.2243181402180296
Energy: 1.3219077095988114
Energy: 1.1787338698477892
Energy: 1.3130777929727921
Energy: 1.1787338698477892
Energy: 1.3541956404424809
Energy: 1.1787338698477892
Energy: 1.3130777929727921
Energy: 1.2050876137753992
Energy: 1.123023032735271
Energy: 1.2050876137753992
Energy: 1.1230230327360313
Energy: 1.2050876137746385
Energy: 1.123023032735271
Energy: 1.2050876137738777
Energy: 1.2455756115279588
Energy: 1.140926328930203
Energy: 1.2455756115287195
Energy: 1.140926328930203
Energy: 1.2455756115287195
Energy: 1.1409263289317242
Energy: 1.2455756115279588
Energy: 1.1902980037695954
Energy: 1.2794341813087446
Energy: 1.1292483184102642
Energy: 1.2794341813095054
Energy: 1.1902980037688347
Energy: 1.2794341813095054
Energy: 1.1292483184117856
Energy: 1.3275113272946368
Energy: 1.1314352408739323
Energy: 1.2749346486865452
Energy: 1.1326158035771867
Energy: 1.327511327296158
Energy: 1.131435240874693
Energy: 1.2749346486865452
Energy: 1.1761201864484212
Energy: 1.1527429447047055
Energy: 1.1847906968665007
Energy: 1.1525290267318133
Energy: 1.1761201864484212
Energy: 1.1527429447039448
Energy: 1.1847906968665007
Energy: 1.220980406641459
Energy: 1.1793463140222558
Energy: 1.2349208590333505
Energy: 1.1795686019875593
Energy: 1.2209804066429804
Energy: 1.1793463140222558
Energy: 1.2349208590325897
Energy: 1.1293939345387831
Energy: 1.1508041307184929
Energy: 1.1293939345387831
Energy: 1.1511362680061688
Energy: 1.1293939345395438
Energy: 1.1508041307184929
Energy: 1.1293939345395438
Energy: 1.2271130303601152
Energy: 1.1722744566142427
Energy: 1.2271130303601152
Energy: 1.1722744566134822
Energy: 1.2141102228843654
Energy: 1.1722744566142427
Energy: 1.2371018445939004
Energy: 1.1296600939252504
Energy: 1.1510629999008568
Energy: 1.1296600939267716
Energy: 1.1510629999008568
Energy: 1.1296600939260109
Energy: 1.1510629999000959
Energy: 1.1296600939260109
Energy: 1.2673443356256264
Energy: 1.1408459206899064
Energy: 1.2673443356256264
Energy: 1.1408459206891457
Energy: 1.2673443356256264
Energy: 1.1408459206906674
Energy: 1.2673443356256264
Energy: 1.1911552947273394
Energy: 1.1531563171465502
Energy: 1.1911552947265784
Energy: 1.1531563171465502
Energy: 1.1911552947273394
Energy: 1.1531563171457893
Energy: 1.191155294725818
Energy: 1.216754873285466
Energy: 1.2362067896504374
Energy: 1.2167548732862266
Energy: 1.2291620759911295
Energy: 1.2167548732892695
Energy: 1.2362067896504374
Energy: 1.216754873301441
Energy: 1.1292885048807644
Energy: 1.2369131197524557
Energy: 1.1292885048815253
Energy: 1.2369131197516947
Energy: 1.1292885048807644
Energy: 1.2369131197516947
Energy: 1.1292885048815253
Energy: 1.2395122475107723
Energy: 1.1410209873885868
Energy: 1.2398474367601682
Energy: 1.141044144462737
Energy: 1.2395122475115332
Energy: 1.1410209873893478
Energy: 1.2398474367609291
Energy: 1.1813823986287344
Energy: 1.1531973451554274
Energy: 1.181275843852979
Energy: 1.1532201326417815
Energy: 1.1813823986310166
Energy: 1.1531973451546667
Energy: 1.181275843852218
Energy: 1.2172002922592244
Energy: 1.1735824489762763
Energy: 1.2172002922592244
Energy: 1.173561273203941
Energy: 1.217200292257703
Energy: 1.1735824489755153
Energy: 1.217200292257703
Energy: 1.264891159723612
Energy: 1.138061240263329
Energy: 1.265917755680483
Energy: 1.1360918739656725
Energy: 1.2648911597228514
Energy: 1.1380612402640897
Energy: 1.2659177556812438
Energy: 1.225010777259696
Energy: 1.1444291483225033
Energy: 1.2250107772589351
Energy: 1.1444291483240245
Energy: 1.2250107772589351
Energy: 1.1444291483247855
Energy: 1.2250107772589351
Energy: 1.2176154019963745
Energy: 1.1796895072264797
Energy: 1.283929321921683
Energy: 1.1796895072264797
Energy: 1.2176154019963745
Energy: 1.179689507225719
Energy: 1.283929321921683
Energy: 1.2168165508557065
Energy: 1.1784501279762605
Energy: 1.2168165508564674
Energy: 1.1784501279754995
Energy: 1.2168165508557065
Energy: 1.1784501279754995
Energy: 1.2168165508557065
Energy: 1.2456940283011835
Energy: 1.150758739281624
Energy: 1.2329075335704764
Energy: 1.150758739281624
Energy: 1.2456940283011835
Energy: 1.150758739281624
Energy: 1.2329075335704764
Energy: 1.2437292486777605
Energy: 1.2604985121820529
Energy: 1.1831048417147283
Energy: 1.2604985121828136
Energy: 1.243729248678521
Energy: 1.2604985121828136
Energy: 1.1831048417132068
Energy: 1.2461336629448894
Energy: 1.14957225072973
Energy: 1.2328040345644689
Energy: 1.1433421758676974
Energy: 1.2461336629456499
Energy: 1.1495722507312516
Energy: 1.2328040345644689

minimum gb energy = 1.123023032735271 eV
minimum distance =  2.27573489507855 Angstroms
sigma value = 21


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

Energy: 1.157256760879031
Energy: 1.1925046884810964
Energy: 1.157256760879031
Energy: 1.1925046884810964
Energy: 1.157256760879031
Energy: 1.192504688481999
Energy: 1.1572567608781072
Energy: 1.1211795536242997
Energy: 1.0601933337111498
Energy: 1.121179553623376
Energy: 1.0601933340720626
Energy: 1.121179553623376
Energy: 1.060193333586522
Energy: 1.1211795536242997
Energy: 1.0888909574430707
Energy: 1.108740225661504
Energy: 1.0888909574430707
Energy: 1.108740225661504
Energy: 1.0888909574430707
Energy: 1.108740225661504
Energy: 1.0888909574430707
Energy: 1.0502013014553553
Energy: 1.0569086826557117
Energy: 1.0502013014553553
Energy: 1.0568334045853471
Energy: 1.0502013014553553
Energy: 1.0568320373300557
Energy: 1.0502013014544316
Energy: 1.0205418144163632
Energy: 1.0394640056314373
Energy: 1.0205418144163632
Energy: 1.039464005632361
Energy: 1.0205418144163632
Energy: 1.0394640056314373
Energy: 1.0205418144163632
Energy: 1.0317708120926006
Energy: 1.1231892433804653
Energy: 1.031770812093524
Energy: 1.1231892433804653
Energy: 1.0317708120926006
Energy: 1.1231892433795627
Energy: 1.0317708120926006
Energy: 0.9747089089024428
Energy: 1.2595012850741527
Energy: 0.9747089089024428
Energy: 1.2594991137052636
Energy: 0.9747089089024428
Energy: 1.2595065264968064
Energy: 0.9747089089033661
Energy: 0.994225035518388
Energy: 1.0518776405927557
Energy: 0.9942250355174647
Energy: 1.0518776725503545
Energy: 0.994225035518388
Energy: 1.051877636413087
Energy: 0.994225035518388
Energy: 1.0601716129430951
Energy: 1.0417127433840374
Energy: 1.0601716129430951
Energy: 1.0417127433840374
Energy: 1.0601716129421717
Energy: 1.0417127433831137
Energy: 1.0601716129430951
Energy: 1.05022290552703
Energy: 1.4171019452564193
Energy: 1.05022290552703
Energy: 1.4171019452564193
Energy: 1.05022290552703
Energy: 1.4171019452573428
Energy: 1.05022290552703
Energy: 0.9748088004839639
Energy: 1.1452872970908385
Energy: 0.9748088004830403
Energy: 1.1452872970908385
Energy: 0.9748088004830403
Energy: 1.1452872970899153
Energy: 0.9748088004830403
Energy: 0.9942047257250167
Energy: 1.1479244642853286
Energy: 0.9942047257240932
Energy: 1.1479244642844053
Energy: 0.9942047257250167
Energy: 1.1479244642853286
Energy: 0.9942047257240932
Energy: 1.0509978012093737
Energy: 1.0408557749724232
Energy: 1.0509978012093737
Energy: 1.0408557749290408
Energy: 1.0509978012093737
Energy: 1.0408557749576688
Energy: 1.050997801210297
Energy: 1.1112861812992327
Energy: 1.2568475886361619
Energy: 1.1112861812983093
Energy: 1.2568475886361619
Energy: 1.1112861812992327
Energy: 1.2568475886361619
Energy: 1.1112861812983093
Energy: 1.1622035320109736
Energy: 1.0590658476647263
Energy: 1.1622035320109736
Energy: 1.0590651397525161
Energy: 1.1622035320109736
Energy: 1.0590683575158546
Energy: 1.1622035320100503
Energy: 1.1195176735182264
Energy: 1.1217490218971564
Energy: 1.1195176735154773
Energy: 1.1217546827044653
Energy: 1.1195176735154773
Energy: 1.121746418742142
Energy: 1.1195176735173031
Energy: 1.1211377339944895
Energy: 1.047141976957805
Energy: 1.1211377339944895
Energy: 1.0471426735734883
Energy: 1.1211377339944895
Energy: 1.0471298123673864
Energy: 1.121137733995413
Energy: 1.1010150631990079
Energy: 1.2568003812107145
Energy: 1.1010150631980844
Energy: 1.2568003812116377
Energy: 1.1010150631925435
Energy: 1.2568003812107145
Energy: 1.1010150632082427
Energy: 1.0640804655847222
Energy: 1.059359892452811
Energy: 1.0640804655837985
Energy: 1.0593596818997166
Energy: 1.0640804655847222
Energy: 1.0593598717317338
Energy: 1.0640804655847222
Energy: 0.994050866362253
Energy: 1.0384047063939488
Energy: 0.994050866362253
Energy: 1.0384047063921018
Energy: 0.9940508663613294
Energy: 1.0384047063930253
Energy: 0.994050866362253
Energy: 1.0505327325592293
Energy: 1.1303361602998792
Energy: 1.0505327325601526
Energy: 1.1303361611832503
Energy: 1.0505327325592293
Energy: 1.1303361604706388
Energy: 1.0505327325592293
Energy: 0.9747268978791738
Energy: 1.2374197082315055
Energy: 0.9747268978791738
Energy: 1.2374197082315055
Energy: 0.9747268978782502
Energy: 1.237419708232429
Energy: 0.9747268978791738
Energy: 1.0510885980631646
Energy: 1.0892090679899433
Energy: 1.1110231897586211
Energy: 1.089209067990867
Energy: 1.0091632204263863
Energy: 1.0892090679899433
Energy: 1.009145211584266
Energy: 1.1006818832667653
Energy: 1.052128421293076
Energy: 1.1006818832695358
Energy: 1.0521284212893818
Energy: 1.1006818832676888
Energy: 1.0521284212893818
Energy: 1.1006818832676888
Energy: 1.0504531806000577
Energy: 1.0852842760272918
Energy: 1.0504531806009811
Energy: 1.085284275994991
Energy: 1.0504531806000577
Energy: 1.085284275994991
Energy: 1.0504531806000577

minimum gb energy = 0.9747089089024428 eV
minimum distance =  2.31598226966076 Angstroms
sigma value = 113


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

Energy: 1.0450874836526811
Energy: 1.0242303235640184
Energy: 1.0450874836506197
Energy: 1.024230323563503
Energy: 1.0450874836526811
Energy: 1.0242303235836034
Energy: 1.045087483651135
Energy: 1.0273338048396916
Energy: 1.0044041982051277
Energy: 1.027333804840207
Energy: 1.0044041982051277
Energy: 1.0273338048448455
Energy: 1.0044041982046124
Energy: 1.0273338048443301
Energy: 1.0432042337406011
Energy: 1.0402302805315142
Energy: 1.0432042337411165
Energy: 1.0402302805309989
Energy: 1.0432042337406011
Energy: 1.0402302805320298
Energy: 1.0432042337416318
Energy: 1.0375634649044418
Energy: 1.0231999590302197
Energy: 1.0375634649044418
Energy: 1.0231999590281582
Energy: 1.0375634649049572
Energy: 1.0231999590307352
Energy: 1.0375634649049572
Energy: 1.0124032614762861
Energy: 1.0075233590492159
Energy: 1.0124032614773169
Energy: 1.0075233590456079
Energy: 1.0124032614773169
Energy: 1.0075233590548849
Energy: 1.0124032614752556
Energy: 1.0153292029785417
Energy: 1.0085240603202235
Energy: 1.0153292029800878
Energy: 1.008524060322285
Energy: 1.0153292029754493
Energy: 1.0085240603233157
Energy: 1.0153292029759649
Energy: 1.0092530384909482
Energy: 0.9846560546252863
Energy: 1.0092530384930096
Energy: 0.9846560546237401
Energy: 1.0092530384904326
Energy: 0.984656054622194
Energy: 1.009253038489402
Energy: 1.0158505551916877
Energy: 0.9970538896668215
Energy: 1.0158505551937493
Energy: 0.997053889666306
Energy: 1.015850555195811
Energy: 0.997053889666306
Energy: 1.0158505551927184
Energy: 0.9712472761183422
Energy: 0.9780350103709785
Energy: 0.9712472761193729
Energy: 0.9780350103699478
Energy: 0.9712472761188574
Energy: 0.978035010371494
Energy: 0.9712472761198884
Energy: 0.9823438944894382
Energy: 1.0059580047904557
Energy: 0.9823438944925306
Energy: 1.0059580047930328
Energy: 0.9823438944899536
Energy: 1.005958004792002
Energy: 0.9823438944925306
Energy: 0.9696526997228072
Energy: 0.9651210070156608
Energy: 0.9696526997243534
Energy: 0.9651210070135994
Energy: 0.9696526997228072
Energy: 0.9651210070172072
Energy: 0.9696526997228072
Energy: 0.9867853140506325
Energy: 0.9464558174161131
Energy: 0.9867853140490863
Energy: 0.9464558174166285
Energy: 0.9867853140511478
Energy: 0.9464558174145669
Energy: 0.9867853140501169
Energy: 0.9403068474836961
Energy: 1.043108914792944
Energy: 0.9403068474847268
Energy: 1.0431089147934594
Energy: 0.9403068474857578
Energy: 1.0431089147944903
Energy: 0.9403068474836961
Energy: 0.9536162176737044
Energy: 0.9466409718177282
Energy: 0.9536162176726737
Energy: 0.9466409718192744
Energy: 0.9536162176737044
Energy: 0.9466409718197897
Energy: 0.9536162176721582
Energy: 0.9695298170152195
Energy: 0.9595451475014383
Energy: 0.9695298170152195
Energy: 0.9595451475040153
Energy: 0.9695298170167657
Energy: 0.9595451475024691
Energy: 0.9695298170147042
Energy: 0.9407919749932974
Energy: 1.1240022987830023
Energy: 0.9407919749912356
Energy: 1.1240022987835174
Energy: 0.9407919749932974
Energy: 1.1240022987814562
Energy: 0.9407919749912356
Energy: 0.9032763004713196
Energy: 0.9663486571636201
Energy: 0.9032763004708043
Energy: 0.9663486571651663
Energy: 0.9032763004718349
Energy: 0.9663486571641353
Energy: 0.9032763004718349
Energy: 0.9440222177151232
Energy: 0.952554237698352
Energy: 0.9440222177156388
Energy: 0.9525567064384152
Energy: 0.9440222177177002
Energy: 0.9525542804291829
Energy: 0.944022217716154
Energy: 0.993276318422331
Energy: 0.9250982758883823
Energy: 0.9932763184213003
Energy: 0.9250967775315648
Energy: 0.9932763184218155
Energy: 0.9250989852978581
Energy: 0.9932763184197541
Energy: 0.9423830503782545
Energy: 1.0562018309272765
Energy: 0.9423830503777393
Energy: 1.0562018309267611
Energy: 0.9423830503772237
Energy: 1.0562018309283074
Energy: 0.9423830503782545
Energy: 0.9395331561967424
Energy: 0.9190094807841682
Energy: 0.9395331561957116
Energy: 0.9190094807903529
Energy: 0.9395331561962271
Energy: 0.9190094807650987
Energy: 0.9395331561941654
Energy: 0.9637566569429465
Energy: 0.9059854630020323
Energy: 0.963756656943462
Energy: 0.9059652380100821
Energy: 0.9637566569429465
Energy: 0.9059916268519903
Energy: 0.963756656943462
Energy: 0.9521960937703782
Energy: 0.94471301867411
Energy: 0.9521960937703782
Energy: 0.9447130186751407
Energy: 0.9521960937698628
Energy: 0.9447130186782332
Energy: 0.9521960937703782
Energy: 0.9506936190676446
Energy: 1.1007498538938045
Energy: 0.9506935980684869
Energy: 1.1007498533910145
Energy: 0.9506936461045471
Energy: 1.1007498541709928
Energy: 0.950693615484674
Energy: 1.0444915021271692
Energy: 0.9628539340234084
Energy: 1.0444915021287156
Energy: 0.9628533315508822
Energy: 1.0444915021271692
Energy: 0.9628533583656966
Energy: 1.0444915021282002
Energy: 1.0228742300843114
Energy: 0.9839441343450949
Energy: 1.0228775440684612
Energy: 0.9839441343430333
Energy: 1.0228827101422744
Energy: 0.9839441343430333
Energy: 1.0232028717810986
Energy: 1.02210343200352
Energy: 0.9814481172910301
Energy: 1.0221034320014581
Energy: 0.9814481154519175
Energy: 1.0221034320040352
Energy: 0.9814481171055819
Energy: 1.0221034320014581
Energy: 1.0147656012241406
Energy: 1.0932589232895544
Energy: 1.0147656012236255
Energy: 1.09325892329007
Energy: 1.0147656012236255
Energy: 1.0932589232890393
Energy: 1.0147656012251718
Energy: 1.1065679934095658
Energy: 1.0292294209233512
Energy: 1.1065679934095658
Energy: 1.0292294209223203
Energy: 1.1065679934090504
Energy: 1.0292294209233512
Energy: 1.1065679934095658
Energy: 1.0312902984299832
Energy: 1.0246325889429875
Energy: 1.0312902984299832
Energy: 1.02463258894608
Energy: 1.0312902984310142
Energy: 1.0246325889440182
Energy: 1.0312902984310142
Energy: 1.0076204464095893
Energy: 1.1208673702461263
Energy: 1.00762044641062
Energy: 1.120867370245095
Energy: 1.0076204464116507
Energy: 1.120867370245095
Energy: 1.0076204464095893
Energy: 0.9951774942423617
Energy: 1.0910876724516563
Energy: 0.9951774942418464
Energy: 1.0910876724521719
Energy: 0.9951774942392695
Energy: 1.0910876724516563
Energy: 0.9951774942397847
Energy: 1.0843582533050464
Energy: 0.9990638236814541
Energy: 1.0843582533045308
Energy: 0.9990638236788771
Energy: 1.0843582533050464
Energy: 0.9990638236788771
Energy: 1.0843582533050464
Energy: 1.0068954304718334
Energy: 0.9782105799598828
Energy: 1.006895430475441
Energy: 0.978210579958852
Energy: 1.0068954304744104
Energy: 0.9782105799598828
Energy: 1.006895430472864
Energy: 1.0137314179593102
Energy: 1.0573371801777196
Energy: 1.0137314179618873
Energy: 1.057337180176689
Energy: 1.013731417959826
Energy: 1.0573371801777196
Energy: 1.0137314179593102
Energy: 0.9786196127289974
Energy: 1.0351819415380366
Energy: 0.9786196127274515
Energy: 1.0351819415380366
Energy: 0.9786196127279667
Energy: 1.0351819415395829
Energy: 0.9786196127279667
Energy: 1.1499120420849085
Energy: 0.9969246229164611
Energy: 1.149912042085939
Energy: 0.9969246229149149
Energy: 1.1499120420854236
Energy: 0.9969246229164611
Energy: 1.1499120420854236
Energy: 0.9567007124938319
Energy: 0.9463718308063317
Energy: 0.9567007124938319
Energy: 0.9463718308078779
Energy: 0.9567007124938319
Energy: 0.9463718308073625
Energy: 0.9567007124928012
Energy: 1.0042606201243698
Energy: 0.9023729983571094
Energy: 1.0042606201233388
Energy: 0.9023729985121492
Energy: 1.0042606201228235
Energy: 0.9023729984235486
Energy: 1.0042606201243698
Energy: 0.9607236517853986
Energy: 0.9575857034472137
Energy: 0.9607236517853986
Energy: 0.9575857034446367
Energy: 0.9607236517848834
Energy: 0.9575857034441214
Energy: 0.9607236517853986
Energy: 0.9448638048292901
Energy: 0.9449718378749927
Energy: 0.9448638048308364
Energy: 0.944971837873962
Energy: 0.9448638048298057
Energy: 0.944971837873962
Energy: 0.944863804830321
Energy: 0.9898965358394368
Energy: 0.9316648166559173
Energy: 0.9898965358358291
Energy: 0.931664816654371
Energy: 0.9898965358384061
Energy: 0.9316648166559173
Energy: 0.9898965358378906
Energy: 0.9424432472278754
Energy: 1.123789331534354
Energy: 0.9424432472278754
Energy: 1.1237893315328078
Energy: 0.9424432472278754
Energy: 1.1237893315302308
Energy: 0.9424432472273602
Energy: 0.9051884561001996
Energy: 0.9518955516554628
Energy: 0.9051884561012306
Energy: 0.9518955516575243
Energy: 0.9051884560981381
Energy: 0.9518955516554628
Energy: 0.9051884560996843
Energy: 0.9450888850138233
Energy: 0.9569973300566874
Energy: 0.9450888850127926
Energy: 0.9569973300561718
Energy: 0.9450888850133079
Energy: 0.9569973300556565
Energy: 0.9450888850133079

minimum gb energy = 0.9023729983571094 eV
minimum distance =  2.285308491854 Angstroms
sigma value = 365


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

Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.0128619937669088
Energy: 1.2133365798459053
Energy: 2.0128619937669088
Energy: 1.2133365798459053
Energy: 2.0128619937669088
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 2.071996017528764
Energy: 1.2133365798447433
Energy: 2.071996017528764
Energy: 1.2133365798459053
Energy: 2.0128619937680705
Energy: 1.2133365798447433
Energy: 2.0128619937680705
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 2.071996017528764
Energy: 1.2133365798459053
Energy: 2.0128619937680705
Energy: 1.2133365798447433
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.0128619937692327
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.0128619937680705
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 2.0128619937680705
Energy: 1.2133365798459053
Energy: 2.0128619937680705
Energy: 1.2133365798459053
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.0128619937680705
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.012861993770395
Energy: 1.2133365798459053
Energy: 2.0128619937680705
Energy: 1.2133365798459053
Energy: 2.0128619937692327
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 2.012861993770395
Energy: 1.2133365798459053
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.012861993770395
Energy: 1.2133365798459053
Energy: 2.012861993770395
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.012861993770395
Energy: 1.2133365798459053
Energy: 2.0128619937692327
Energy: 1.2133365798459053
Energy: 2.012861993770395
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 2.0128619937715566
Energy: 1.2133365798459053
Energy: 2.0128619937715566
Energy: 1.2133365798459053
Energy: 2.0128619937715566
Energy: 1.2133365798459053
Energy: 2.0128619937715566
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 0.38491688630606746
Energy: 0.3267518676447721
Energy: 0.38491688630490545
Energy: 0.3267518676447721
Energy: 2.0128619937715566
Energy: 1.2133365798459053
Energy: 2.0128619937715566
Energy: 1.2133365798459053
Energy: 2.012861993772719
Energy: 1.2133365798459053
Energy: 2.0128619937715566

minimum gb energy = 0.3267518676447721 eV
minimum distance =  2.29329547771253 Angstroms
sigma value = 23