Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_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=2.851000025868416
cohesive_energy=4.2903373401975164
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: 0.016325426217399
Energy: 0.19492421915254182
Energy: 0.016325426217399
Energy: 0.19492421915213015
Energy: 0.016325426217399
Energy: 0.19492421915213015
Energy: 0.016325426217399
Energy: 0.01693613827015094
Energy: 0.6418067991010048
Energy: 0.01693613827015094
Energy: 0.6418067991010048
Energy: 0.01693613827015094
Energy: 0.6418067991010048
Energy: 0.01693613827015094
Energy: 1.1109750520869341
Energy: 0.5933424844311515
Energy: 1.4412544943858474
Energy: 0.5933424844315631
Energy: 0.016621116526231317
Energy: 0.5933424844315631
Energy: 0.016621116526231317
Energy: 0.01693613827015094
Energy: 0.6418067991010048
Energy: 0.01693613827015094
Energy: 0.6418067991014165
Energy: 0.01693613827015094
Energy: 0.6418067991014165
Energy: 0.01693613827015094
Energy: 0.016325426217399
Energy: 0.19492421915213015
Energy: 0.016325426217399
Energy: 0.19492421915213015
Energy: 0.016325426217399
Energy: 0.19492421915213015
Energy: 0.016325426217399
Energy: 0.01693613827015094
Energy: 0.6418067991014165
Energy: 0.01693613827015094
Energy: 0.6418067991010048
Energy: 0.01693613827015094
Energy: 0.6418067991010048
Energy: 0.016936138270562628

minimum gb energy = 0.016325426217399 eV
minimum distance =  2.46528423838175 Angstroms
sigma value = 5


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

Energy: 1.3161704942269552
Energy: 1.3593527352628145
Energy: 1.3161704944904127
Energy: 1.3593527352647818
Energy: 1.31617049420335
Energy: 1.3593527352637982
Energy: 1.3161704942505605
Energy: 1.2558845490264865
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Energy: 1.2558845490264865
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Energy: 1.2563866252791522
Energy: 1.2348877927444677
Energy: 1.2563866252786606
Energy: 1.2348877927449595
Energy: 1.2563866252791522
Energy: 1.2348877927459432
Energy: 1.1747139928036885
Energy: 1.2128615531490405
Energy: 1.1747139928041803
Energy: 1.212861553148549
Energy: 1.1747139928036885
Energy: 1.212861553148549
Energy: 1.174713992802705
Energy: 1.14614086847208
Energy: 1.2205674678260614
Energy: 1.1461408684735552
Energy: 1.2205674678260614
Energy: 1.1461408684735552
Energy: 1.2205674678250782
Energy: 1.1461408684725718
Energy: 1.1418238180903226
Energy: 1.1859419977947012
Energy: 1.1418238180922897
Energy: 1.1859419977956849
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Energy: 1.1692477518703701
Energy: 1.202275017198613
Energy: 1.1692477518698783
Energy: 1.2022750171995966
Energy: 1.1692477518688948

minimum gb energy = 1.132611006784184 eV
minimum distance =  2.31868591619082 Angstroms
sigma value = 401


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

Energy: 1.3024751116738666
Energy: 1.2980448404162934
Energy: 1.302475111670517
Energy: 1.2980448404168519
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Energy: 1.2630114332540732
Energy: 1.2601046153325195
Energy: 1.263011433254581
Energy: 1.2629757348753916
Energy: 1.2670548727060782
Energy: 1.2629757348759498
Energy: 1.2670548727060782
Energy: 1.2629757348753916
Energy: 1.2670548727060782
Energy: 1.2629757348753916
Energy: 1.1860260287819573
Energy: 1.2252710994403067
Energy: 1.1860260287819573
Energy: 1.2252710994419813
Energy: 1.1860260287819573
Energy: 1.225271099441423
Energy: 1.1860260287819573
Energy: 1.1714287112096708
Energy: 1.2613043940625226
Energy: 1.1714287112096708
Energy: 1.2613043940619644
Energy: 1.1714287112096708
Energy: 1.261304394064197
Energy: 1.1714287112096708
Energy: 1.1743640566364413
Energy: 1.1776761306704868
Energy: 1.1743640566369997
Energy: 1.177676130671045
Energy: 1.1743640566364413
Energy: 1.1776761306699286
Energy: 1.1743640566369997
Energy: 1.2408650486783253
Energy: 1.2007919476466555
Energy: 1.240865048677767
Energy: 1.2007919476460973
Energy: 1.2408650486783253
Energy: 1.2007919476460973
Energy: 1.2408650486783253
Energy: 1.3495358876184604
Energy: 1.2734983908397208
Energy: 1.3495358876179022
Energy: 1.2734983908391626
Energy: 1.3495358876179022
Energy: 1.2734983908391626
Energy: 1.3495358876184604
Energy: 1.1596090342300576
Energy: 1.2439447496715237
Energy: 1.1596090342306156
Energy: 1.2439447496715237
Energy: 1.1596090342306156
Energy: 1.2439447496715237
Energy: 1.1596090342300576

minimum gb energy = 1.1363830725839041 eV
minimum distance =  2.30749385362035 Angstroms
sigma value = 311


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

Energy: 1.2609450373444833
Energy: 1.223135160949045
Energy: 1.2047895950605512
Energy: 1.2801379274885558
Energy: 1.2609450373444833
Energy: 1.223135160949045
Energy: 1.2047895950605512
Energy: 1.2138502110770388
Energy: 1.1882593753626718
Energy: 1.2208291119719223
Energy: 1.184707404482805
Energy: 1.2138502110770388
Energy: 1.1882593753626718
Energy: 1.2208291119719223
Energy: 1.1372712897109398
Energy: 1.160665769574402
Energy: 1.1373188246614125
Energy: 1.2534191094792762
Energy: 1.1372712897109398
Energy: 1.160665769574402
Energy: 1.1373188246614125
Energy: 1.2957866366734807
Energy: 1.2370306702498834
Energy: 1.2957464417644133
Energy: 1.2370306702498834
Energy: 1.2957866366734807
Energy: 1.2370306702492389
Energy: 1.2957464417644133
Energy: 1.2719885962213753
Energy: 1.2169283310644878
Energy: 1.2718948972696402
Energy: 1.2169283310638432
Energy: 1.2719885962213753
Energy: 1.2169283310644878
Energy: 1.2718948972696402
Energy: 1.1479712952336814
Energy: 1.220465267669902
Energy: 1.1479712952336814
Energy: 1.2204652676705465
Energy: 1.1479712952336814
Energy: 1.2204652676705465
Energy: 1.1479712952336814
Energy: 1.14325360970675
Energy: 1.2683502731722647
Energy: 1.14325360970675
Energy: 1.2683502731722647
Energy: 1.14325360970675
Energy: 1.2683502731722647
Energy: 1.1432536097061055
Energy: 1.233468889031962
Energy: 1.2190607475458297
Energy: 1.233468889031962
Energy: 1.2190607475458297
Energy: 1.233468889031962
Energy: 1.2190607475458297
Energy: 1.233468889031962
Energy: 1.2594672720574263
Energy: 1.1979879395146322
Energy: 1.2594672720574263
Energy: 1.1979879395139876
Energy: 1.2594672720574263
Energy: 1.1979879395146322
Energy: 1.2594672720574263
Energy: 1.1377205717902843
Energy: 1.2366061514289974
Energy: 1.137190992023169
Energy: 1.2366016460388294
Energy: 1.1377205717902843
Energy: 1.2366061514289974
Energy: 1.137190992023169
Energy: 1.174419399126498
Energy: 1.2749059869483297
Energy: 1.1744557614781628
Energy: 1.2748504629229744
Energy: 1.174419399126498
Energy: 1.2749059869483297
Energy: 1.1744557614781628
Energy: 1.2334391537872966
Energy: 1.277350938618221
Energy: 1.2334391537872966
Energy: 1.257039223080944
Energy: 1.2334391537879412
Energy: 1.277350938618221
Energy: 1.2334391537879412
Energy: 1.2582204985808094
Energy: 1.2623329792077538
Energy: 1.2582204985808094
Energy: 1.2623329792077538
Energy: 1.2582204985808094
Energy: 1.2623329792077538
Energy: 1.2582204985808094
Energy: 1.152472641350731
Energy: 1.1860726756714102
Energy: 1.1524726413500865
Energy: 1.1860726756714102
Energy: 1.1524726413500865
Energy: 1.1860726756714102
Energy: 1.1524726413500865
Energy: 1.2122513580369647
Energy: 1.3051494568325301
Energy: 1.2122513580369647
Energy: 1.3051494568318855
Energy: 1.2122513580369647
Energy: 1.3051494568325301
Energy: 1.2122513580369647
Energy: 1.2025081429625382
Energy: 1.2777130160066053
Energy: 1.2025081429631828
Energy: 1.2777130160066053
Energy: 1.2025081429625382
Energy: 1.2777130160066053
Energy: 1.2025081429625382
Energy: 1.189068091639972
Energy: 1.20050657802537
Energy: 1.1941230732209354
Energy: 1.20050657802537
Energy: 1.189068091639972
Energy: 1.20050657802537
Energy: 1.1941230732209354
Energy: 1.1516215927707372
Energy: 1.121784143762731
Energy: 1.1517751726944345
Energy: 1.1217604007336555
Energy: 1.1516215927707372
Energy: 1.121784143762731
Energy: 1.1517751726944345
Energy: 1.2619994136883004
Energy: 1.2894740776603735
Energy: 1.2533300767950746
Energy: 1.2894740776603735
Energy: 1.263217237269042
Energy: 1.2894740776603735
Energy: 1.263217237269042
Energy: 1.2713986615265584
Energy: 1.2759767558624704
Energy: 1.2383440362829623
Energy: 1.2516639021667533
Energy: 1.2713986615265584
Energy: 1.2759767558624704
Energy: 1.2383440362829623
Energy: 1.1488440564516234
Energy: 1.1395505502914496
Energy: 1.1488440564516234
Energy: 1.1395505502914496
Energy: 1.1488440564516234
Energy: 1.1395505502914496
Energy: 1.1488440564516234
Energy: 1.147713922248454
Energy: 1.1551749363255406
Energy: 1.147713922248454
Energy: 1.2783533381049657
Energy: 1.147713922248454
Energy: 1.155174936324896
Energy: 1.147713922248454
Energy: 1.2980760671312366
Energy: 1.2130767577646464
Energy: 1.2332279910669097
Energy: 1.2653204190488445
Energy: 1.2980760671312366
Energy: 1.2130767577646464
Energy: 1.2648681516853817
Energy: 1.2347225230651309
Energy: 1.2493390237309112
Energy: 1.24435997521771
Energy: 1.2244643072968435
Energy: 1.2347225230651309
Energy: 1.2493390239093698
Energy: 1.24435997521771
Energy: 1.1461074690247355
Energy: 1.1445223806089018
Energy: 1.1207343301072736
Energy: 1.1726505184694973
Energy: 1.1461074690247355
Energy: 1.1445223806089018
Energy: 1.1207343301072736
Energy: 1.2736220160733673
Energy: 1.1404495149689964
Energy: 1.2846664270144463
Energy: 1.280258418607594
Energy: 1.2736220160733673
Energy: 1.1404495149689964
Energy: 1.2846664270144463
Energy: 1.262819889374164
Energy: 1.2034708995364323
Energy: 1.2102746360561332
Energy: 1.2034708995364323
Energy: 1.237187470781317
Energy: 1.2034708995364323
Energy: 1.237107872982478
Energy: 1.2863580543013509
Energy: 1.198301591283677
Energy: 1.2863580543013509
Energy: 1.198301591283677
Energy: 1.2863580543013509
Energy: 1.1983015912830324
Energy: 1.2863580543013509
Energy: 1.1829079703169876
Energy: 1.1727189248961478
Energy: 1.1829079703169876
Energy: 1.1727189248961478
Energy: 1.1829079703169876
Energy: 1.1727189248961478
Energy: 1.1829079703169876
Energy: 1.2320678388959068
Energy: 1.2168956923846965
Energy: 1.2320678388959068
Energy: 1.218479033749309
Energy: 1.2320678388959068
Energy: 1.2168956923834073
Energy: 1.2320678388959068
Energy: 1.211170118173422
Energy: 1.2130641647734022
Energy: 1.2574036850366284
Energy: 1.2130641647734022
Energy: 1.214764649017567
Energy: 1.2130641647734022
Energy: 1.214764649017567
Energy: 1.1529280043594436
Energy: 1.2299745698101683
Energy: 1.1528458805437654
Energy: 1.2298404941027667
Energy: 1.1529280043594436
Energy: 1.2299745698108129
Energy: 1.1528458805437654
Energy: 1.136850576711496
Energy: 1.145856610127715
Energy: 1.1368448255827057
Energy: 1.1460373698733708
Energy: 1.136850576711496
Energy: 1.145856610127715
Energy: 1.1368448255820613
Energy: 1.2346511731985166
Energy: 1.2568019232264995
Energy: 1.234651173197872
Energy: 1.279108801436727
Energy: 1.234651173197872
Energy: 1.2568019232271441
Energy: 1.234651173197872
Energy: 1.2766100715977227
Energy: 1.3246161730751524
Energy: 1.2767641405605374
Energy: 1.325606902831744
Energy: 1.3260214906706373
Energy: 1.3246161730751524
Energy: 1.2229642709757487
Energy: 1.1415048616570278
Energy: 1.1292383081465396
Energy: 1.1415048616570278
Energy: 1.1292383081465396
Energy: 1.1415048616570278
Energy: 1.1292383081465396
Energy: 1.1415048616570278

minimum gb energy = 1.1207343301072736 eV
minimum distance =  2.26089951160496 Angstroms
sigma value = 39


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

Energy: 1.1831030570586627
Energy: 1.2604967306098789
Energy: 1.1831030570586627
Energy: 1.2604967306098789
Energy: 1.1831030570586627
Energy: 1.2604967306098789
Energy: 1.1831030570586627
Energy: 1.2328022275069153
Energy: 1.1302724824514603
Energy: 1.2328022275069153
Energy: 1.1303588412771581
Energy: 1.2328022275069153
Energy: 1.1302724824522212
Energy: 1.2328022275069153
Energy: 1.175078422391084
Energy: 1.1768901184034204
Energy: 1.175130589217956
Energy: 1.17898358155896
Energy: 1.175078422390323
Energy: 1.1768901184034204
Energy: 1.175130589217956
Energy: 1.2965580337404037
Energy: 1.1615974274039786
Energy: 1.2965580337404037
Energy: 1.1615468853042858
Energy: 1.2965580337404037
Energy: 1.1615974274039786
Energy: 1.2965580337404037
Energy: 1.2657774939275268
Energy: 1.126247942514664
Energy: 1.2586480518360996
Energy: 1.1262975393712151
Energy: 1.2657774939275268
Energy: 1.126247942514664
Energy: 1.2586480518368603
Energy: 1.2243163366740364
Energy: 1.1652389004593229
Energy: 1.2243163366740364
Energy: 1.1652389004593229
Energy: 1.2243163366740364
Energy: 1.1652389004593229
Energy: 1.2243163366740364
Energy: 1.3219059114956635
Energy: 1.178732067691488
Energy: 1.3130759850246767
Energy: 1.178732067691488
Energy: 1.354193837303744
Energy: 1.178732067691488
Energy: 1.3130759850246767
Energy: 1.2050869004770264
Energy: 1.123021229301513
Energy: 1.2050869004770264
Energy: 1.123021229301513
Energy: 1.2050869004770264
Energy: 1.1230212293022732
Energy: 1.2050869004770264
Energy: 1.2455738105160232
Energy: 1.1409245253534983
Energy: 1.2455738105160232
Energy: 1.1409245253527376
Energy: 1.2455738105160232
Energy: 1.1409245253534983
Energy: 1.2455738105160232
Energy: 1.1902962217974553
Energy: 1.2794323991388865
Energy: 1.1292465337511557
Energy: 1.2794323991381256
Energy: 1.1902962217974553
Energy: 1.2794323991381256
Energy: 1.1292465337511557
Energy: 1.327509522956036
Energy: 1.1314334405582636
Energy: 1.2749328426395397
Energy: 1.132614002932264
Energy: 1.327509522956036
Energy: 1.1314334405575026
Energy: 1.274932842638779
Energy: 1.1761183617564683
Energy: 1.1527411412040385
Energy: 1.1847888731645568
Energy: 1.1525272232570107
Energy: 1.1761183617564683
Energy: 1.1527411412040385
Energy: 1.1847888731645568
Energy: 1.2209786035407582
Energy: 1.1793445096501836
Energy: 1.234919002105904
Energy: 1.1795667984313942
Energy: 1.2209786035415187
Energy: 1.1793445096501836
Energy: 1.234919002105143
Energy: 1.1293921498994188
Energy: 1.1508023272421688
Energy: 1.1293921498986579
Energy: 1.1511344647678468
Energy: 1.1293921498994188
Energy: 1.1508023272414085
Energy: 1.1293921498994188
Energy: 1.2271111891642983
Energy: 1.1722726719551344
Energy: 1.2271111891642983
Energy: 1.172272671955895
Energy: 1.2141084381791643
Energy: 1.172272671955895
Energy: 1.2371001397305628
Energy: 1.1296583092661416
Energy: 1.1510611965127417
Energy: 1.1296583092669026
Energy: 1.1510611965127417
Energy: 1.1296583092669026
Energy: 1.1510611965127417
Energy: 1.1296583092669026
Energy: 1.267342531039135
Energy: 1.1408441171003043
Energy: 1.267342531039135
Energy: 1.1408441170995436
Energy: 1.267342531039135
Energy: 1.1408441171003043
Energy: 1.267342531039135
Energy: 1.1911535625267862
Energy: 1.153154513737135
Energy: 1.1911535625267862
Energy: 1.1531545137363741
Energy: 1.1911535625267862
Energy: 1.1531545137363741
Energy: 1.191153562527547
Energy: 1.2167530775590507
Energy: 1.2362049640246662
Energy: 1.2167530775681794
Energy: 1.2291602653973668
Energy: 1.2167530775567685
Energy: 1.2362049640246662
Energy: 1.2167530775727435
Energy: 1.1292867202216559
Energy: 1.2369113354786174
Energy: 1.1292867202216559
Energy: 1.2369113354786174
Energy: 1.1292867202224166
Energy: 1.2369113354786174
Energy: 1.1292867202224166
Energy: 1.2395104598397644
Energy: 1.1410191845121946
Energy: 1.239845639673343
Energy: 1.1410423412457151
Energy: 1.2395104598390034
Energy: 1.1410191845129554
Energy: 1.239845639673343
Energy: 1.1813808685325842
Energy: 1.1531955416874715
Energy: 1.1812740510514643
Energy: 1.1532183291685005
Energy: 1.1813808685325842
Energy: 1.1531955416874715
Energy: 1.1812740510514643
Energy: 1.2171984976779358
Energy: 1.1735806483240232
Energy: 1.217198497676414
Energy: 1.1735594691048639
Energy: 1.217198497676414
Energy: 1.1735806483240232
Energy: 1.217198497676414
Energy: 1.2648893561028205
Energy: 1.138059440414051
Energy: 1.2659159538344176
Energy: 1.1360900711881399
Energy: 1.2648893561028205
Energy: 1.138059440414051
Energy: 1.2659159538344176
Energy: 1.2250089718489636
Energy: 1.144427344855308
Energy: 1.2250089718489636
Energy: 1.144427344855308
Energy: 1.2250089718489636
Energy: 1.144427344855308
Energy: 1.2250089718489636
Energy: 1.2176135694688976
Energy: 1.1796877042269203
Energy: 1.2839275167177628
Energy: 1.1796877042269203
Energy: 1.217613569468137
Energy: 1.1796877042269203
Energy: 1.2839275167177628
Energy: 1.216814768884327
Energy: 1.1784483245402202
Energy: 1.2168147688850879
Energy: 1.1784483245402202
Energy: 1.216814768884327
Energy: 1.1784483245402202
Energy: 1.2168147688850879
Energy: 1.2456922274284254
Energy: 1.1507569283398666
Energy: 1.2329057297924924
Energy: 1.1507569283398666
Energy: 1.2456922274276647
Energy: 1.1507569283398666
Energy: 1.2329057297924924
Energy: 1.2437274667132272
Energy: 1.2604967306098789
Energy: 1.1831030570594234
Energy: 1.2604967306098789
Energy: 1.2437274667124665
Energy: 1.2604967306098789
Energy: 1.1831030570586627
Energy: 1.2461317994234489
Energy: 1.1495704448293014
Energy: 1.2328022275069153
Energy: 1.1433403698433404
Energy: 1.2461317994234489
Energy: 1.1495704448293014
Energy: 1.2328022275069153

minimum gb energy = 1.123021229301513 eV
minimum distance =  2.27573471259416 Angstroms
sigma value = 21


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

Energy: 1.1572552996825891
Energy: 1.1925032267510933
Energy: 1.1572552996825891
Energy: 1.1925032267510933
Energy: 1.1572552996835128
Energy: 1.1925032267510933
Energy: 1.1572552996835128
Energy: 1.1211780844194217
Energy: 1.060191858418212
Energy: 1.1211780844194217
Energy: 1.0601918585400696
Energy: 1.1211780844184984
Energy: 1.0601918582012992
Energy: 1.1211780844184984
Energy: 1.0888894821828534
Energy: 1.1087387281257837
Energy: 1.0888894821828534
Energy: 1.1087387281257837
Energy: 1.0888894821828534
Energy: 1.1087387281257837
Energy: 1.0888894821828534
Energy: 1.0501997900238276
Energy: 1.0567454139492174
Energy: 1.0501997900238276
Energy: 1.0568610406189
Energy: 1.0501997900238276
Energy: 1.0568571135079703
Energy: 1.0501997900238276
Energy: 1.0205403410382814
Energy: 1.0394625308512195
Energy: 1.0205403410382814
Energy: 1.0394625308512195
Energy: 1.0205403410382814
Energy: 1.0394625308512195
Energy: 1.020540341037358
Energy: 1.0317693673694606
Energy: 1.123187771229163
Energy: 1.0317693673694606
Energy: 1.123187771229163
Energy: 1.0317693673694606
Energy: 1.1231877712300864
Energy: 1.0317693673694606
Energy: 0.9747074216821154
Energy: 1.2594992205799551
Energy: 0.9747074216821154
Energy: 1.2595059675669558
Energy: 0.9747074216821154
Energy: 1.2595004394951883
Energy: 0.9747074216821154
Energy: 0.9942235688860936
Energy: 1.0518761969237675
Energy: 0.9942235688851703
Energy: 1.051876173760255
Energy: 0.9942235688860936
Energy: 1.0518761482189294
Energy: 0.9942235688860936
Energy: 1.0601701251218554
Energy: 1.0417112488271683
Energy: 1.0601701251218554
Energy: 1.0417112488271683
Energy: 1.0601701251218554
Energy: 1.0417112488271683
Energy: 1.0601701251218554
Energy: 1.0502214176808773
Energy: 1.4171004578413218
Energy: 1.0502214176808773
Energy: 1.4171004578413218
Energy: 1.0502214176808773
Energy: 1.4171004578413218
Energy: 1.0502214176808773
Energy: 0.9748073086307494
Energy: 1.145285806219766
Energy: 0.9748073086307494
Energy: 1.145285806219766
Energy: 0.9748073086307494
Energy: 1.145285806219766
Energy: 0.9748073086307494
Energy: 0.9942032441011646
Energy: 1.147922989368499
Energy: 0.9942032441011646
Energy: 1.147922989368499
Energy: 0.9942032441002411
Energy: 1.147922989368499
Energy: 0.9942032441011646
Energy: 1.0509963130835114
Energy: 1.040854284085672
Energy: 1.0509963130835114
Energy: 1.040854284060738
Energy: 1.0509963130835114
Energy: 1.0408542840506008
Energy: 1.0509963130835114
Energy: 1.1112847081814672
Energy: 1.256846110690739
Energy: 1.1112847081833142
Energy: 1.256846110690739
Energy: 1.1112847081823904
Energy: 1.256846110690739
Energy: 1.1112847081823904
Energy: 1.1622020638809634
Energy: 1.0590745700324946
Energy: 1.1622020638800399
Energy: 1.0590818661332828
Energy: 1.1622020638809634
Energy: 1.0590620862021716
Energy: 1.1622020638809634
Energy: 1.1195161986714341
Energy: 1.1217504301456023
Energy: 1.1195161986705109
Energy: 1.121738497106273
Energy: 1.1195161986723576
Energy: 1.1217561161831706
Energy: 1.1195161986705109
Energy: 1.1211362560970666
Energy: 1.0471369452665586
Energy: 1.1211362560970666
Energy: 1.0471423738369474
Energy: 1.1211362560970666
Energy: 1.0471426794412984
Energy: 1.1211362560970666
Energy: 1.1010135898006304
Energy: 1.2567989426720543
Energy: 1.101013589822773
Energy: 1.2567989426729775
Energy: 1.10101358979786
Energy: 1.2567989426729775
Energy: 1.1010135898098443
Energy: 1.064079015716311
Energy: 1.0593581924215656
Energy: 1.064079015716311
Energy: 1.0593584314864206
Energy: 1.0640790157153872
Energy: 1.059358264283452
Energy: 1.064079015716311
Energy: 0.9940494080975862
Energy: 1.0384032316100371
Energy: 0.9940494080985096
Energy: 1.0384032316109606
Energy: 0.9940494080975862
Energy: 1.0384032316100371
Energy: 0.9940494080975862
Energy: 1.0505312447324486
Energy: 1.13033467359924
Energy: 1.0505312447324486
Energy: 1.1303346721472571
Energy: 1.0505312447324486
Energy: 1.1303346721971042
Energy: 1.0505312447324486
Energy: 0.9747254105840654
Energy: 1.237418244138696
Energy: 0.9747254105840654
Energy: 1.2374182441396195
Energy: 0.9747254105840654
Energy: 1.237418244138696
Energy: 0.9747254105840654
Energy: 1.0510871291196104
Energy: 1.089207568476172
Energy: 1.1110136452196195
Energy: 1.089207568476172
Energy: 1.0091494728365142
Energy: 1.089207568476172
Energy: 1.009157823172324
Energy: 1.1006803942067618
Energy: 1.0521269465063938
Energy: 1.1006803942067618
Energy: 1.0521269465082406
Energy: 1.1006803942067618
Energy: 1.0521269465082406
Energy: 1.1006803942067618
Energy: 1.050451692214824
Energy: 1.085282774949041
Energy: 1.0504516922157474
Energy: 1.0852827749924236
Energy: 1.0504516922157474
Energy: 1.0852827749305713
Energy: 1.0504516922157474

minimum gb energy = 0.9747074216821154 eV
minimum distance =  2.31598222373389 Angstroms
sigma value = 113


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

Energy: 1.04508483967826
Energy: 1.0241299886454616
Energy: 1.045084839679806
Energy: 1.0241299886217536
Energy: 1.045084839677229
Energy: 1.0241299886140227
Energy: 1.0450848396787753
Energy: 1.0273312058258819
Energy: 1.0044015284947985
Energy: 1.0273312058212434
Energy: 1.0044015284953138
Energy: 1.0273312058176356
Energy: 1.0044015284953138
Energy: 1.0273312058135124
Energy: 1.0432016115146732
Energy: 1.0402276708303584
Energy: 1.0432016115141578
Energy: 1.0402276708303584
Energy: 1.0432016115146732
Energy: 1.0402276708293277
Energy: 1.0432016115136424
Energy: 1.0375605527594318
Energy: 1.0231969543956854
Energy: 1.0375605527599472
Energy: 1.0231969543956854
Energy: 1.0375605527594318
Energy: 1.0231969543956854
Energy: 1.0375605527594318
Energy: 1.012400609401327
Energy: 1.0073453763178852
Energy: 1.012400609401327
Energy: 1.0073453764389557
Energy: 1.012400609401327
Energy: 1.0073453764667402
Energy: 1.0124006094018423
Energy: 1.0153265151450923
Energy: 1.0085208200212212
Energy: 1.0153265151450923
Energy: 1.0085208200212212
Energy: 1.0153265151456077
Energy: 1.0085208200207059
Energy: 1.0153265151461233
Energy: 1.0092503952309093
Energy: 0.9846557024796192
Energy: 1.0092503952309093
Energy: 0.9846557024801346
Energy: 1.0092503952314247
Energy: 0.9846557024796192
Energy: 1.0092503952314247
Energy: 1.0158478892460756
Energy: 0.9970516203807357
Energy: 1.0158478892455602
Energy: 0.9970516203807357
Energy: 1.0158478892455602
Energy: 0.9970516203807357
Energy: 1.0158478892455602
Energy: 0.9712442630390334
Energy: 0.9780346802517428
Energy: 0.9712442630390334
Energy: 0.9780346802522581
Energy: 0.9712442630385181
Energy: 0.9780346802527737
Energy: 0.9712442630380026
Energy: 0.9823412285361421
Energy: 1.0059554294711262
Energy: 0.9823412285366574
Energy: 1.0059554294716415
Energy: 0.982341228537173
Energy: 1.0059554294706108
Energy: 0.9823412285366574
Energy: 0.9696500520473899
Energy: 0.9651183992248824
Energy: 0.9696500520468745
Energy: 0.965118399224367
Energy: 0.9696500520473899
Energy: 0.9651183992248824
Energy: 0.9696500520473899
Energy: 0.9867815590947099
Energy: 0.9464531361037073
Energy: 0.9867815590936789
Energy: 0.9464531361031917
Energy: 0.9867815590947099
Energy: 0.9464531361037073
Energy: 0.9867815590941943
Energy: 0.9403042911342783
Energy: 1.043106150089682
Energy: 0.9403042911353092
Energy: 1.043106150089682
Energy: 0.9403042911363401
Energy: 1.0431061500891665
Energy: 0.9403042911363401
Energy: 0.9536135704276101
Energy: 0.94663831287688
Energy: 0.9536135704286408
Energy: 0.9466383128773955
Energy: 0.9536135704286408
Energy: 0.9466383128763648
Energy: 0.9536135704276101
Energy: 0.9695271603332019
Energy: 0.9595425307401371
Energy: 0.9695271603332019
Energy: 0.959542530738591
Energy: 0.9695271603332019
Energy: 0.9595425307401371
Energy: 0.9695271603332019
Energy: 0.9407893545250028
Energy: 1.123318273490636
Energy: 0.9407893545260336
Energy: 1.123318273490636
Energy: 0.9407893545244874
Energy: 1.1233182734896052
Energy: 0.9407893545250028
Energy: 0.9032739744981014
Energy: 0.9663459821376597
Energy: 0.9032739744986167
Energy: 0.966345982137191
Energy: 0.9032739744981014
Energy: 0.966345982137191
Energy: 0.9032739744965552
Energy: 0.94401956505969
Energy: 0.9525518808579183
Energy: 0.9440195650602053
Energy: 0.9525529400932268
Energy: 0.94401956505969
Energy: 0.9525529527461913
Energy: 0.94401956505969
Energy: 0.9932736204906306
Energy: 0.9250943518661938
Energy: 0.993273620491146
Energy: 0.9250957997682547
Energy: 0.9932736204906306
Energy: 0.9250947490506721
Energy: 0.993273620491146
Energy: 0.9423802996422111
Energy: 1.0561978292165957
Energy: 0.9423802996396341
Energy: 1.0561978292191727
Energy: 0.9423802996391187
Energy: 1.0561978292181418
Energy: 0.9423802996391187
Energy: 0.939530325266971
Energy: 0.9190068364930608
Energy: 0.9395303252685172
Energy: 0.9190068364925454
Energy: 0.9395303252674865
Energy: 0.9190068364925454
Energy: 0.9395303252685172
Energy: 0.9637540128783783
Energy: 0.9059883108351272
Energy: 0.9637540128788935
Energy: 0.9059882140299292
Energy: 0.963754012876832
Energy: 0.9059888737878193
Energy: 0.9637540128799243
Energy: 0.9521934280159773
Energy: 0.9447103597281078
Energy: 0.9521934280149466
Energy: 0.9447103597291389
Energy: 0.9521934280149466
Energy: 0.9447103597260463
Energy: 0.9521934280154619
Energy: 0.9506909498847038
Energy: 1.1007392282469834
Energy: 0.9506909516439771
Energy: 1.1007392266340352
Energy: 0.9506909507795211
Energy: 1.1007392283871238
Energy: 0.9506909731114405
Energy: 1.044488853144198
Energy: 0.9628552464740767
Energy: 1.0444888531431673
Energy: 0.9628551312440661
Energy: 1.044488853144198
Energy: 0.9628552048260883
Energy: 1.0444888531436824
Energy: 1.0228780790981955
Energy: 0.9839417868800492
Energy: 1.0232182762404594
Energy: 0.9839417868815953
Energy: 1.0228844710410647
Energy: 0.9839417868785031
Energy: 1.0232136678038948
Energy: 1.0221007720742872
Energy: 0.9814454601199974
Energy: 1.0221007720753177
Energy: 0.9814454563185934
Energy: 1.0221007720753177
Energy: 0.9814454569677085
Energy: 1.0221007720758333
Energy: 1.0147629562920242
Energy: 1.0932562938834884
Energy: 1.0147629562930547
Energy: 1.093256293881427
Energy: 1.0147629562894471
Energy: 1.093256293881427
Energy: 1.0147629562935703
Energy: 1.106565342205575
Energy: 1.0292267768692311
Energy: 1.1065653422060904
Energy: 1.0292267768692311
Energy: 1.1065653422060904
Energy: 1.0292267768697463
Energy: 1.1065653422066057
Energy: 1.0312876634640833
Energy: 1.0246292485019406
Energy: 1.0312876634640833
Energy: 1.0246292485029713
Energy: 1.0312876634640833
Energy: 1.024629248502456
Energy: 1.0312876634640833
Energy: 1.007617801134876
Energy: 1.1208647808515795
Energy: 1.007617801134876
Energy: 1.1208647808520946
Energy: 1.007617801134876
Energy: 1.1208647808520946
Energy: 1.007617801134876
Energy: 0.9951748548430911
Energy: 1.091084895997322
Energy: 0.9951748548430911
Energy: 1.0910848959968067
Energy: 0.9951748548430911
Energy: 1.0910848959968067
Energy: 0.9951748548430911
Energy: 1.08435558978961
Energy: 0.9990516246594847
Energy: 1.08435558978961
Energy: 0.9990516246605154
Energy: 1.08435558978961
Energy: 0.99905162466
Energy: 1.08435558978961
Energy: 1.0068928514919893
Energy: 0.9782079970458508
Energy: 1.0068928514919893
Energy: 0.9782079970463661
Energy: 1.0068928514919893
Energy: 0.9782079970463661
Energy: 1.006892851492505
Energy: 1.0137287386029177
Energy: 1.0573400097302184
Energy: 1.0137287386029177
Energy: 1.0573400097297032
Energy: 1.0137287386029177
Energy: 1.0573400097297032
Energy: 1.0137287386029177
Energy: 0.9786168341105246
Energy: 1.0354680799600509
Energy: 0.9786168341105246
Energy: 1.0354680799579892
Energy: 0.9786168341105246
Energy: 1.03546807995902
Energy: 0.9786168341110402
Energy: 1.1499093423846574
Energy: 0.9969219635381842
Energy: 1.1499093423841422
Energy: 0.9969219635381842
Energy: 1.1499093423841422
Energy: 0.9969219635381842
Energy: 1.1499093423841422
Energy: 0.9566980557489363
Energy: 0.9463692194665516
Energy: 0.956698055748421
Energy: 0.9463692194660361
Energy: 0.956698055748421
Energy: 0.9463692194660361
Energy: 0.956698055748421
Energy: 1.0042579007545833
Energy: 0.9023703301226336
Energy: 1.0042579007545833
Energy: 0.902370326969314
Energy: 1.0042579007545833
Energy: 0.9023703282056968
Energy: 1.0042579007545833
Energy: 0.9607209896246982
Energy: 0.9575830591034893
Energy: 0.960720989624183
Energy: 0.9575830591055507
Energy: 0.9607209896246982
Energy: 0.9575830591070971
Energy: 0.9607209896246982
Energy: 0.9448611534942021
Energy: 0.9449691749029687
Energy: 0.9448611534942021
Energy: 0.9449691749014225
Energy: 0.9448611534942021
Energy: 0.9449691749014225
Energy: 0.9448611534942021
Energy: 0.9898938775418471
Energy: 0.9316621921795458
Energy: 0.9898938775418471
Energy: 0.9316621921800611
Energy: 0.9898938775423624
Energy: 0.9316621921800611
Energy: 0.9898938775418471
Energy: 0.9424405849333131
Energy: 1.1237859282346616
Energy: 0.9424405849327978
Energy: 1.1237859282336309
Energy: 0.9424405849327978
Energy: 1.1237859282341465
Energy: 0.9424405849322823
Energy: 0.9051857865330094
Energy: 0.9518929427700347
Energy: 0.9051857865345554
Energy: 0.9518929427705501
Energy: 0.9051857865340401
Energy: 0.9518929427700347
Energy: 0.9051857865330094
Energy: 0.9450862334494786
Energy: 0.9569946601123692
Energy: 0.9450862334494786
Energy: 0.9569946601123692
Energy: 0.9450862334494786
Energy: 0.9569946601123692
Energy: 0.9450862334494786

minimum gb energy = 0.902370326969314 eV
minimum distance =  2.28530848206305 Angstroms
sigma value = 365


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

Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.012860400771208
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0719944123120237
Energy: 1.2133350032981178
Energy: 2.0719944123120237
Energy: 1.2133350032981178
Energy: 2.012860400771208
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0719944123120237
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.012860400771208
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.012860400774694
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.0128604007723703
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.0128604007735325
Energy: 1.2133350032981178
Energy: 2.012860400774694
Energy: 1.2133350032981178
Energy: 2.012860400774694
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 0.384915309759442
Energy: 0.3267502910993087
Energy: 2.012860400774694
Energy: 1.2133350032981178
Energy: 2.012860400774694
Energy: 1.2133350032981178
Energy: 2.012860400775856
Energy: 1.2133350032981178
Energy: 2.012860400774694

minimum gb energy = 0.3267502910993087 eV
minimum distance =  2.29329548959815 Angstroms
sigma value = 23