Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_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=2.863645769655704
cohesive_energy=4.290547094706671
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: 0.016181394263654433
Energy: 0.16762947409670706
Energy: 0.01618139426401715
Energy: 0.16762947409670706
Energy: 0.016181394263654433
Energy: 0.16762947409670706
Energy: 0.01618139426401715
Energy: 0.016735305706223672
Energy: 0.634033129363153
Energy: 0.016735305705815617
Energy: 0.634033129363561
Energy: 0.016735305706223672
Energy: 0.634033129363561
Energy: 0.016735305705815617
Energy: 0.4850757870402544
Energy: 0.5594702755933051
Energy: 0.4850757870406624
Energy: 0.5594702755940985
Energy: 0.4850757870398463
Energy: 0.5594702755937131
Energy: 0.4850757870402544
Energy: 0.016735305705815617
Energy: 0.634033129363153
Energy: 0.016735305706631728
Energy: 0.634033129363153
Energy: 0.016735305705815617
Energy: 0.634033129363153
Energy: 0.016735305706223672
Energy: 0.01618139426401715
Energy: 0.16762947409670706
Energy: 0.016181394264425206
Energy: 0.16762947409706974
Energy: 0.01618139426401715
Energy: 0.16762947409670706
Energy: 0.016181394264425206
Energy: 0.016735305705815617
Energy: 0.634033129363153
Energy: 0.016735305706223672
Energy: 0.634033129363153
Energy: 0.016735305705815617
Energy: 0.634033129363153
Energy: 0.016735305706223672

minimum gb energy = 0.016181394263654433 eV
minimum distance =  2.47653261119074 Angstroms
sigma value = 5


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

Energy: 1.2893929259849948
Energy: 1.2635585942525778
Energy: 1.289392925987432
Energy: 1.2635585940606142
Energy: 1.2893929259845074
Energy: 1.2635585945745993
Energy: 1.2893929259869445
Energy: 1.1947052118392856
Energy: 1.17457870036623
Energy: 1.1947052118348984
Energy: 1.1745706769193858
Energy: 1.1947052118383106
Energy: 1.17458624989062
Energy: 1.194705211835386
Energy: 1.1318910491880947
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Energy: 1.1831632257535813
Energy: 1.1318910491895566
Energy: 1.1381795086526052
Energy: 1.2103711423622043
Energy: 1.1381795086516304
Energy: 1.2103711423612296
Energy: 1.1381795086530928
Energy: 1.2103711423617167
Energy: 1.1381795086506556
Energy: 1.1361015731380435
Energy: 1.2096495367188909
Energy: 1.136101573136581
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Energy: 1.1361015731370685
Energy: 1.2096495367188909
Energy: 1.1361015731360937
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Energy: 1.1861632592624645
Energy: 1.2272059176750978
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Energy: 1.2272059176760726
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Energy: 1.1774232522009538
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Energy: 1.1357104791954356
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Energy: 1.1357104791973853
Energy: 1.1878499985273927
Energy: 1.1587061176397742
Energy: 1.1878499985425033
Energy: 1.1587061176387994
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Energy: 1.187849998562976
Energy: 1.1211591890437764
Energy: 1.1693372937524669
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Energy: 1.2278080000088516
Energy: 1.244722590265411
Energy: 1.2278080000059268
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Energy: 1.1601261174237274
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Energy: 1.1890949333232752
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Energy: 1.1890949238564954
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Energy: 1.1753899084128945
Energy: 1.2124316508482769
Energy: 1.1753899084152875
Energy: 1.212431650846327
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Energy: 1.122140970541683
Energy: 1.1371806405669587
Energy: 1.1221409705197483
Energy: 1.1371806405659837
Energy: 1.1221409704924512
Energy: 1.137180640567446
Energy: 1.1221409705012253
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Energy: 1.2378267441494386
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Energy: 1.2378267441504136
Energy: 1.1885838717195172
Energy: 1.1479515585087763
Energy: 1.18858387171708
Energy: 1.1479515585087763
Energy: 1.18858387171708
Energy: 1.147951558508289
Energy: 1.18858387171708
Energy: 1.1735480609010116
Energy: 1.2069251627079598
Energy: 1.1735480609024738
Energy: 1.2069251627064974
Energy: 1.173548060901499
Energy: 1.2069251627074724
Energy: 1.1735480609063733
Energy: 1.1585310971594163
Energy: 1.2038798989263504
Energy: 1.1585310971560043
Energy: 1.2038798989273252
Energy: 1.1585310971584413
Energy: 1.2038798989263504
Energy: 1.158531097156979
Energy: 1.1356990497310377
Energy: 1.1836657577985976
Energy: 1.1356990497325001
Energy: 1.1836657577951855
Energy: 1.1356990497310377
Energy: 1.18366575779811
Energy: 1.1356990497329875
Energy: 1.1318222796168438
Energy: 1.1784417703528411
Energy: 1.1318222796163562
Energy: 1.1784417703533288
Energy: 1.131822279614894
Energy: 1.1784417703528411
Energy: 1.1318222796168438
Energy: 1.156855655982973
Energy: 1.1955533564301863
Energy: 1.1568556559834604
Energy: 1.1955533564272618
Energy: 1.156855655982973
Energy: 1.1955533564296992
Energy: 1.1568556559834604

minimum gb energy = 1.1211591890437764 eV
minimum distance =  2.31297764007988 Angstroms
sigma value = 401


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

Energy: 1.3173457081727642
Energy: 1.274114321396866
Energy: 1.3173457081738704
Energy: 1.274114321397419
Energy: 1.3173457081755306
Energy: 1.274114321398526
Energy: 1.3173457081738704
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Energy: 1.3173457081722106
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Energy: 1.2284800031809044
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Energy: 1.228480003179798
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Energy: 1.216237652755846
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Energy: 1.2161632275895367
Energy: 1.2177163235668031
Energy: 1.230348469929266
Energy: 1.2177163235662496
Energy: 1.2303484699298193
Energy: 1.217716323568463
Energy: 1.2303484699325855
Energy: 1.217716323568463
Energy: 1.2175557925262392
Energy: 1.2295906396724041
Energy: 1.2175557925256861
Energy: 1.2295906396751708
Energy: 1.2175557925234728
Energy: 1.2295906396729575
Energy: 1.2175557925245795
Energy: 1.144559385640605
Energy: 1.2734832611074915
Energy: 1.144559385641712
Energy: 1.273483261106385
Energy: 1.144559385640605
Energy: 1.273483261104725
Energy: 1.1445593856411584
Energy: 1.1444998450515906
Energy: 1.32873166149054
Energy: 1.1444998450510373
Energy: 1.32873166148888
Energy: 1.1444998450532509
Energy: 1.32873166148888
Energy: 1.1444998450515906
Energy: 1.1773342201429717
Energy: 1.193444106577462
Energy: 1.1773342201429717
Energy: 1.193444106579675
Energy: 1.1773342201446315
Energy: 1.1934441065780155
Energy: 1.1773342201446315
Energy: 1.1771762996226907
Energy: 1.217083268909191
Energy: 1.1771762996221375
Energy: 1.2170832689080844
Energy: 1.1771762996232438
Energy: 1.2170832689102977
Energy: 1.177176299621584
Energy: 1.2886904982842413
Energy: 1.2741143213979724
Energy: 1.2886904982820278
Energy: 1.274114321397419
Energy: 1.2886904982847942
Energy: 1.2741143213990789
Energy: 1.2886904982814746
Energy: 1.1338252908954314
Energy: 1.1971242674850338
Energy: 1.133825290896538
Energy: 1.1971242674855869
Energy: 1.1338252908970916
Energy: 1.1971242674850338
Energy: 1.1338252908970916

minimum gb energy = 1.1338252908954314 eV
minimum distance =  2.32186813549014 Angstroms
sigma value = 311


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

Energy: 1.2340671567899417
Energy: 1.3000745225712997
Energy: 1.1908166509139766
Energy: 1.2376778971264657
Energy: 1.2340671567899417
Energy: 1.300074522570661
Energy: 1.1908166509139766
Energy: 1.1739273402646535
Energy: 1.15204219962151
Energy: 1.1495468941139486
Energy: 1.1502356148833786
Energy: 1.1739273402640147
Energy: 1.1520421996227879
Energy: 1.1495468941145877
Energy: 1.1621275657111958
Energy: 1.218940012914044
Energy: 1.1621034198488496
Energy: 1.2318526596529489
Energy: 1.162127565709918
Energy: 1.218940012914044
Energy: 1.1621034198488496
Energy: 1.1919030103705768
Energy: 1.2486440820748674
Energy: 1.2389550428986646
Energy: 1.2486440820748674
Energy: 1.1919030103705768
Energy: 1.2486440820748674
Energy: 1.2389550428993037
Energy: 1.280144700416959
Energy: 1.2633404679916729
Energy: 1.2800415668659002
Energy: 1.2633404679910338
Energy: 1.280144700416959
Energy: 1.2633404679916729
Energy: 1.2800415668659002
Energy: 1.2079677342425352
Energy: 1.3521953592891076
Energy: 1.2079677342425352
Energy: 1.357603846899693
Energy: 1.207967734243174
Energy: 1.3521953592884686
Energy: 1.2079677342425352
Energy: 1.2194162563217974
Energy: 1.3191325826872582
Energy: 1.2194162563224362
Energy: 1.3206244396826878
Energy: 1.2194162563217974
Energy: 1.3191325826866191
Energy: 1.2194162563217974
Energy: 1.2520483059672969
Energy: 1.2662743151757578
Energy: 1.252048305966658
Energy: 1.2662743151763969
Energy: 1.252048305966658
Energy: 1.2662743151763969
Energy: 1.252048305966658
Energy: 1.2518446519636455
Energy: 1.268184535127563
Energy: 1.2518446519636455
Energy: 1.268184535127563
Energy: 1.2518446519636455
Energy: 1.268184535127563
Energy: 1.2518446519623676
Energy: 1.149010000877313
Energy: 1.2317386170240097
Energy: 1.1490252934238876
Energy: 1.2354572659963456
Energy: 1.149010000877313
Energy: 1.2317386170240097
Energy: 1.1490252934232488
Energy: 1.1524549542029296
Energy: 1.2547579681355459
Energy: 1.152491066413024
Energy: 1.2547300860026032
Energy: 1.1524549542022906
Energy: 1.2547579681361847
Energy: 1.152491066412385
Energy: 1.2659295645862676
Energy: 1.2649144109552173
Energy: 1.2659295645869066
Energy: 1.2649144109552173
Energy: 1.2659295645881845
Energy: 1.2649144109552173
Energy: 1.2659295645869066
Energy: 1.2622234258971838
Energy: 1.2749035012587493
Energy: 1.2622234258971838
Energy: 1.2749035012587493
Energy: 1.2622234258965448
Energy: 1.2749035012581102
Energy: 1.2622234258965448
Energy: 1.1988598570534206
Energy: 1.2115919376463973
Energy: 1.1988598570534206
Energy: 1.2115919376463973
Energy: 1.1988598570540303
Energy: 1.2115919376463973
Energy: 1.1988598570527818
Energy: 1.2888172623015712
Energy: 1.2052013016085916
Energy: 1.248813015655473
Energy: 1.2060929582726583
Energy: 1.28881726230221
Energy: 1.2052013016079526
Energy: 1.248813015654834
Energy: 1.2481661366669283
Energy: 1.267167112132381
Energy: 1.187106995843948
Energy: 1.267167112131742
Energy: 1.2481661366662893
Energy: 1.2671671121311032
Energy: 1.1871069958433091
Energy: 1.162712128998783
Energy: 1.1978658567616494
Energy: 1.157085450606783
Energy: 1.215666815887596
Energy: 1.162712128999422
Energy: 1.1978658567622884
Energy: 1.1570854506080606
Energy: 1.1605753490879394
Energy: 1.2249406418850584
Energy: 1.1605933662602261
Energy: 1.2297117271238702
Energy: 1.1605753490879394
Energy: 1.2249406418850584
Energy: 1.1605933662602261
Energy: 1.2957970403870276
Energy: 1.3906371856311015
Energy: 1.3378065388478744
Energy: 1.2752999087184584
Energy: 1.3244876483521009
Energy: 1.3906371856330182
Energy: 1.3244876483514618
Energy: 1.252125731957675
Energy: 1.3208356538230348
Energy: 1.252125731957675
Energy: 1.3052759690503695
Energy: 1.2521257319570362
Energy: 1.3208356538236738
Energy: 1.2521257319570362
Energy: 1.1998262233515107
Energy: 1.2153346025395635
Energy: 1.1998262233515107
Energy: 1.2153346025395635
Energy: 1.1998262233521497
Energy: 1.2153346025395635
Energy: 1.1998262233521497
Energy: 1.1932988873833843
Energy: 1.2742849464200843
Energy: 1.1932988873840233
Energy: 1.2742849464194455
Energy: 1.1932988873840233
Energy: 1.274284946420723
Energy: 1.1932988873827455
Energy: 1.3093990357822431
Energy: 1.2527235666582717
Energy: 1.2656927442703614
Energy: 1.2180964570626747
Energy: 1.3076986318131383
Energy: 1.252723566659549
Energy: 1.236786072474063
Energy: 1.287051303835966
Energy: 1.308533810775018
Energy: 1.2338298787034088
Energy: 1.2871807910152824
Energy: 1.287051303835327
Energy: 1.3085338107858793
Energy: 1.2338298787040478
Energy: 1.156623528231548
Energy: 1.1978053677834277
Energy: 1.1619047642522848
Energy: 1.1994118418089963
Energy: 1.156623528231548
Energy: 1.197805367782789
Energy: 1.1619047642522848
Energy: 1.2584974649734146
Energy: 1.2947483566241242
Energy: 1.258384197343741
Energy: 1.3033595609791215
Energy: 1.2584974649734146
Energy: 1.294748356625402
Energy: 1.258384197343741
Energy: 1.2733350296720498
Energy: 1.2632304923327229
Energy: 1.2971188869203139
Energy: 1.263230492332084
Energy: 1.3197365469745699
Energy: 1.263230492331445
Energy: 1.3134921582457368
Energy: 1.2579162437671092
Energy: 1.336139198250491
Energy: 1.257916243767748
Energy: 1.3421357707807227
Energy: 1.257916243767748
Energy: 1.3361391982492132
Energy: 1.257916243768387
Energy: 1.209484250731992
Energy: 1.2061354248918335
Energy: 1.209484250732631
Energy: 1.2061354248918335
Energy: 1.209484250731992
Energy: 1.2061354248905847
Energy: 1.209484250732631
Energy: 1.2341939569971863
Energy: 1.270465551785128
Energy: 1.2341939569984641
Energy: 1.2704655517844894
Energy: 1.2341939569984641
Energy: 1.2704655517844894
Energy: 1.2341939569971863
Energy: 1.2031030126533255
Energy: 1.2675561520037957
Energy: 1.2706579706749845
Energy: 1.2675561520031566
Energy: 1.2369827482618352
Energy: 1.2675561520031566
Energy: 1.2369827482618352
Energy: 1.153802128781747
Energy: 1.229161107972375
Energy: 1.1537813618966841
Energy: 1.248528514398028
Energy: 1.153802128781747
Energy: 1.2291611079730138
Energy: 1.1537813618947677
Energy: 1.1508204628011713
Energy: 1.1697219188575438
Energy: 1.1507031581718299
Energy: 1.169632864296778
Energy: 1.1508204628005323
Energy: 1.1697219188575438
Energy: 1.1507031581724687
Energy: 1.2685702611972172
Energy: 1.316865833445702
Energy: 1.2685702611972172
Energy: 1.3168658334450631
Energy: 1.2685702611978562
Energy: 1.316865833444424
Energy: 1.2685702611972172
Energy: 1.367840442261715
Energy: 1.3115033440135169
Energy: 1.3241925064467337
Energy: 1.271311442178533
Energy: 1.324181182774945
Energy: 1.311503344012878
Energy: 1.3241925064473727
Energy: 1.196104161130286
Energy: 1.2182184252158947
Energy: 1.196104161130286
Energy: 1.2182184252165338
Energy: 1.1961041611309249
Energy: 1.2182184252158947
Energy: 1.1961041611309249

minimum gb energy = 1.149010000877313 eV
minimum distance =  2.22155427541463 Angstroms
sigma value = 39


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

Energy: 1.1881364525128293
Energy: 1.180449610923334
Energy: 1.1881364525135834
Energy: 1.180449610923334
Energy: 1.1881364525128293
Energy: 1.180449610923334
Energy: 1.1881364525128293
Energy: 1.2348591237363005
Energy: 1.0978375871517665
Energy: 1.2348591237355464
Energy: 1.0978375871502584
Energy: 1.2348591237363005
Energy: 1.0978375871510127
Energy: 1.2348591237355464
Energy: 1.1546718571367698
Energy: 1.130728804374575
Energy: 1.1546718571367698
Energy: 1.130728804374575
Energy: 1.1546718571367698
Energy: 1.1307288043753287
Energy: 1.1546718571367698
Energy: 1.2304852959823165
Energy: 1.0965245276036912
Energy: 1.2304857366232054
Energy: 1.0965245276029372
Energy: 1.2304856178436818
Energy: 1.0965245276029372
Energy: 1.2304855688792111
Energy: 1.2276650756232839
Energy: 1.0971182886864221
Energy: 1.227665075683571
Energy: 1.0971182886864221
Energy: 1.2276650756217757
Energy: 1.0971182886864221
Energy: 1.227665075636102
Energy: 1.2305358159109288
Energy: 1.0954499570281788
Energy: 1.2305358159109288
Energy: 1.0954499570288987
Energy: 1.2305358159109288
Energy: 1.0954499570296528
Energy: 1.230535815910175
Energy: 1.2965623514916833
Energy: 1.1315675067638624
Energy: 1.2310328483593926
Energy: 1.1315675067661244
Energy: 1.1750245876982284
Energy: 1.1315675067638624
Energy: 1.1750245876959664
Energy: 1.1560550783526213
Energy: 1.0958685167795759
Energy: 1.1560550783556371
Energy: 1.09586851678033
Energy: 1.1560550783533752
Energy: 1.0958685167795759
Energy: 1.156055078354883
Energy: 1.2340919378747879
Energy: 1.0964076935224598
Energy: 1.2340919378129585
Energy: 1.0964076935224598
Energy: 1.2340919378272848
Energy: 1.0964076935224598
Energy: 1.2340919378084345
Energy: 1.154629402679107
Energy: 1.154262722668806
Energy: 1.1546294026806154
Energy: 1.1542627226695599
Energy: 1.1546294026798611
Energy: 1.154262722671068
Energy: 1.1546294026806154
Energy: 1.2538325171137141
Energy: 1.1307911482787243
Energy: 1.2239010704082796
Energy: 1.1307911482787243
Energy: 1.173854436493919
Energy: 1.1307911482787243
Energy: 1.173854436493165
Energy: 1.15589507217896
Energy: 1.0957975569476086
Energy: 1.15589507217896
Energy: 1.0957975569476086
Energy: 1.15589507217896
Energy: 1.0957975569476086
Energy: 1.1558950721804682
Energy: 1.1966937926409502
Energy: 1.1122001503643215
Energy: 1.1966938078479925
Energy: 1.1122001503635677
Energy: 1.1966886364092144
Energy: 1.1122001503643215
Energy: 1.1966938640116085
Energy: 1.1545714355134968
Energy: 1.0960770246272364
Energy: 1.1545714355134968
Energy: 1.0960770246272364
Energy: 1.1545714355134968
Energy: 1.0960770246279905
Energy: 1.1545714355134968
Energy: 1.2764263276814385
Energy: 1.1589394779200992
Energy: 1.2764263276821923
Energy: 1.1589394779208533
Energy: 1.23825578748812
Energy: 1.1589394779193454
Energy: 1.098348249884696
Energy: 1.1545950652224064
Energy: 1.0958935389180497
Energy: 1.1545950652239145
Energy: 1.0958935389188038
Energy: 1.1545950652224064
Energy: 1.0958935389180497
Energy: 1.1545950652246686
Energy: 1.1967281255544606
Energy: 1.1119872594502085
Energy: 1.1967309914878934
Energy: 1.1119872594502085
Energy: 1.1967288719361813
Energy: 1.1119872594502085
Energy: 1.196728723823388
Energy: 1.1558146611565414
Energy: 1.0957986805380873
Energy: 1.1558146611550335
Energy: 1.0957986805380873
Energy: 1.1558146611565414
Energy: 1.0957986805388413
Energy: 1.1558146611550335
Energy: 1.2545520000658212
Energy: 1.130811026359678
Energy: 1.2282647885944593
Energy: 1.1308110263589242
Energy: 1.174019800020851
Energy: 1.130811026359678
Energy: 1.1740208724144559
Energy: 1.1546274744179246
Energy: 1.154338067782972
Energy: 1.1546274744179246
Energy: 1.154338067782218
Energy: 1.1546274744179246
Energy: 1.1543380677837263
Energy: 1.1546274744179246
Energy: 1.2340490421552353
Energy: 1.0964111771999385
Energy: 1.2340490421785755
Energy: 1.0964111771999385
Energy: 1.2340490422788255
Energy: 1.0964111771999385
Energy: 1.2340490422094903
Energy: 1.1561525965558381
Energy: 1.0957084424587464
Energy: 1.156152596556592
Energy: 1.0957084424587464
Energy: 1.156152596556592
Energy: 1.0957084424587464
Energy: 1.156152596556592
Energy: 1.3229607512139672
Energy: 1.1315625544369772
Energy: 1.3454470474584057
Energy: 1.1315625544362231
Energy: 1.2291559534198981
Energy: 1.131562554437731
Energy: 1.2291559534191443
Energy: 1.2305204657638305
Energy: 1.0954532022896706
Energy: 1.2305204657623223
Energy: 1.0954532022911787
Energy: 1.2305204657645843
Energy: 1.0954532022896706
Energy: 1.2305204657623223
Energy: 1.2278746235037312
Energy: 1.0971254956029237
Energy: 1.2278746235587743
Energy: 1.0971254956036778
Energy: 1.2278746235565126
Energy: 1.0971254956029237
Energy: 1.2278746234977334
Energy: 1.2302086556430811
Energy: 1.0965214100844793
Energy: 1.2302086554117009
Energy: 1.096521410083725
Energy: 1.230208655416979
Energy: 1.0965214100844793
Energy: 1.230208655684518
Energy: 1.1546642784893038
Energy: 1.1307167922521755
Energy: 1.1546642784885497
Energy: 1.1307167922529293
Energy: 1.1546642784885497
Energy: 1.1307167922521755
Energy: 1.1546642784885497
Energy: 1.234874440926359
Energy: 1.0980100002625999
Energy: 1.234874440926359
Energy: 1.098010000264108
Energy: 1.234874440926359
Energy: 1.0980100002625999
Energy: 1.234874440926359
Energy: 1.1881364525128293
Energy: 1.1804496109240878
Energy: 1.1881364525135834
Energy: 1.180449610923334
Energy: 1.1881364525120754
Energy: 1.180449610923334
Energy: 1.1881364525128293
Energy: 1.2348591237363005
Energy: 1.0978375871532744
Energy: 1.2348591237363005
Energy: 1.0978375871510127
Energy: 1.2348591237363005
Energy: 1.0978375871525206
Energy: 1.2348591237363005

minimum gb energy = 1.0954499570281788 eV
minimum distance =  2.28405711446969 Angstroms
sigma value = 21


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

Energy: 1.1387738616235084
Energy: 1.1242086427382685
Energy: 1.1387738616235084
Energy: 1.1242086427391837
Energy: 1.1387738616244236
Energy: 1.1242086427382685
Energy: 1.1387738616235084
Energy: 1.0895801969377015
Energy: 1.0659104788246576
Energy: 1.0895801969367862
Energy: 1.065910478825573
Energy: 1.0895801969377015
Energy: 1.065910478825573
Energy: 1.0895801969358707
Energy: 1.1121153386820384
Energy: 1.0960231168285253
Energy: 1.1121153386811233
Energy: 1.0960231168276102
Energy: 1.1121153386820384
Energy: 1.0960231168285253
Energy: 1.1121153386820384
Energy: 1.0416330553491144
Energy: 1.0523587112548791
Energy: 1.0416330553481992
Energy: 1.0523587091121065
Energy: 1.0416330553481992
Energy: 1.0523587117644957
Energy: 1.0416330553481992
Energy: 1.0117760852382958
Energy: 1.0536595427417141
Energy: 1.0117760852373805
Energy: 1.0536595427407986
Energy: 1.0117760852382958
Energy: 1.0536595427407986
Energy: 1.0117760852373805
Energy: 1.0247059562938896
Energy: 1.0935613483651627
Energy: 1.0247059562938896
Energy: 1.0935613483651627
Energy: 1.0247059562938896
Energy: 1.0935613483651627
Energy: 1.0247059562938896
Energy: 0.9703367568047027
Energy: 1.0053168036495035
Energy: 0.9703367568037873
Energy: 1.005316319176722
Energy: 0.9703367568047027
Energy: 1.0053163867117412
Energy: 0.9703367568047027
Energy: 0.9864138029033857
Energy: 1.0715793004111358
Energy: 0.9864138029024702
Energy: 1.0715793004111358
Energy: 0.9864138029024702
Energy: 1.071579300412051
Energy: 0.9864138029024702
Energy: 1.042264836624366
Energy: 1.0248106908704342
Energy: 1.042264836624366
Energy: 1.0248106908704342
Energy: 1.042264836624366
Energy: 1.0248106908704342
Energy: 1.042264836624366
Energy: 1.041953747009921
Energy: 1.2438584758187239
Energy: 1.041953747009921
Energy: 1.2438584758178086
Energy: 1.041953747009921
Energy: 1.2438584758187239
Energy: 1.041953747009921
Energy: 0.9705194869398271
Energy: 1.0714884106189515
Energy: 0.9705194869398271
Energy: 1.0714884106189515
Energy: 0.9705194869398271
Energy: 1.0714884106189515
Energy: 0.9705194869398271
Energy: 0.9861728563638499
Energy: 1.0771309240715157
Energy: 0.9861728563638499
Energy: 1.0771309240715157
Energy: 0.9861728563638499
Energy: 1.0771309240715157
Energy: 0.9861728563638499
Energy: 1.0423751152310126
Energy: 1.024833839285972
Energy: 1.0423751152310126
Energy: 1.0248338392868874
Energy: 1.0423751152300973
Energy: 1.0248338392850564
Energy: 1.0423751152310126
Energy: 1.0631428767294868
Energy: 1.0537586009418836
Energy: 1.0631428767294868
Energy: 1.0537586009464601
Energy: 1.0631428767285716
Energy: 1.0537586009427988
Energy: 1.0631428767285716
Energy: 1.0888507889246197
Energy: 1.0714842960477975
Energy: 1.0888507891844517
Energy: 1.071484296046882
Energy: 1.0888507892402668
Energy: 1.071484296046882
Energy: 1.0888507887425498
Energy: 1.0906584604598495
Energy: 1.0329401851841666
Energy: 1.0906584604598495
Energy: 1.0329401851832511
Energy: 1.0906584604589342
Energy: 1.0329401851832511
Energy: 1.0906584604598495
Energy: 1.10541431827509
Energy: 1.0567712347978804
Energy: 1.1054143182760054
Energy: 1.056771234796965
Energy: 1.10541431827509
Energy: 1.0567712347978804
Energy: 1.10541431827509
Energy: 1.0961698969654161
Energy: 1.0536386803309115
Energy: 1.0961698969654161
Energy: 1.053638680335488
Energy: 1.0961698969654161
Energy: 1.0536386803409596
Energy: 1.0961698969645008
Energy: 1.003613824896575
Energy: 1.0717060768193767
Energy: 1.0036138278499869
Energy: 1.071706076820292
Energy: 1.0036138632918223
Energy: 1.0717060768193767
Energy: 1.0036138324429622
Energy: 0.9859626581858784
Energy: 1.0244188206791731
Energy: 0.9859626581858784
Energy: 1.0244188206800884
Energy: 0.985962658184963
Energy: 1.0244188206791731
Energy: 0.9859626581858784
Energy: 1.0420294624934727
Energy: 1.0251993878502077
Energy: 1.0420294624925575
Energy: 1.025199389778874
Energy: 1.0420294624934727
Energy: 1.0251993880011558
Energy: 1.0420294624925575
Energy: 0.9705566314416604
Energy: 1.0319903838315259
Energy: 0.9705566314416604
Energy: 1.0319905903817679
Energy: 0.9705566314425758
Energy: 1.0319902675871704
Energy: 0.9705566314416604
Energy: 0.9711071032999422
Energy: 1.0716396394091694
Energy: 0.9711071033008576
Energy: 1.071639639408254
Energy: 0.9711071032999422
Energy: 1.071639639408254
Energy: 0.9711071033008576
Energy: 1.0413980228733055
Energy: 1.02421679461193
Energy: 1.04139802287239
Energy: 1.02421679461193
Energy: 1.04139802287239
Energy: 1.02421679461193
Energy: 1.04139802287239
Energy: 1.0422010511974935
Energy: 1.0099590858481247
Energy: 1.0422010511974935
Energy: 1.0099590858499556
Energy: 1.0422010511974935
Energy: 1.0099590858490402
Energy: 1.0422010511974935

minimum gb energy = 0.9703367568037873 eV
minimum distance =  2.32852556595685 Angstroms
sigma value = 113


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

Energy: 0.9925415475840464
Energy: 1.2071274551010958
Energy: 0.9925415475820031
Energy: 1.2071274551016065
Energy: 0.9925415475845574
Energy: 1.2071274551010958
Energy: 0.9925415475830247
Energy: 1.005717520008015
Energy: 0.9582843647475445
Energy: 1.005717520005972
Energy: 0.9582843647449905
Energy: 1.005717520008015
Energy: 0.9582843647490772
Energy: 1.005717520005972
Energy: 0.9994132973956351
Energy: 0.9761852118399932
Energy: 0.9994132973946135
Energy: 0.9761852118440798
Energy: 0.9994132973941026
Energy: 0.9761852118399932
Energy: 0.9994132973920591
Energy: 0.9544323238195639
Energy: 0.9454768620301792
Energy: 0.9544323238185421
Energy: 0.9454768620291576
Energy: 0.9544323238205855
Energy: 0.9454768620296684
Energy: 0.9544323238190531
Energy: 0.9254173590282971
Energy: 1.0686764921230691
Energy: 0.9254173590303404
Energy: 1.068676492124091
Energy: 0.925417359028808
Energy: 1.0686764921225584
Energy: 0.9254173590308512
Energy: 0.9421957170657707
Energy: 0.9579852674424306
Energy: 0.9421957170637274
Energy: 0.9579852674424306
Energy: 0.9421957170657707
Energy: 0.9579852674429412
Energy: 0.9421957170627058
Energy: 0.9312968110176209
Energy: 0.9328800630087948
Energy: 0.9312968110176209
Energy: 0.9328800629332352
Energy: 0.9312968110191534
Energy: 0.9328800629327244
Energy: 0.931296811016599
Energy: 0.9456748832745576
Energy: 0.9144414454316374
Energy: 0.9456748832725141
Energy: 0.9144414454316374
Energy: 0.9456748832740467
Energy: 0.9144414454316374
Energy: 0.9456748832735359
Energy: 0.9362619286691306
Energy: 1.017861892156976
Energy: 0.9362619286675979
Energy: 1.0178618921554432
Energy: 0.9362619286691306
Energy: 1.0178618921574867
Energy: 0.9362619286675979
Energy: 0.955832108222502
Energy: 0.9192402155355279
Energy: 0.9558321082204585
Energy: 0.9192402155370606
Energy: 0.9558321082230128
Energy: 0.9192402155360389
Energy: 0.9558321082214802
Energy: 0.8918872061602486
Energy: 0.9040805900236194
Energy: 0.8918872061602486
Energy: 0.904080590025152
Energy: 0.8918872061602486
Energy: 0.9040805900236194
Energy: 0.8918872061602486
Energy: 0.9306400004868066
Energy: 0.9238183667067844
Energy: 0.9306400004883391
Energy: 0.9238183667072953
Energy: 0.93064000048885
Energy: 0.9238183667072953
Energy: 0.9306400004868066
Energy: 0.8615665268121369
Energy: 1.090643108079545
Energy: 0.8615665268274626
Energy: 1.0906431080769905
Energy: 0.8615665268238866
Energy: 1.090643108079034
Energy: 0.8615665268238866
Energy: 0.9177263576183649
Energy: 0.921213996528585
Energy: 0.9177263576193865
Energy: 0.9212139965275632
Energy: 0.9177263576193865
Energy: 0.9212139965301176
Energy: 0.9177263576188757
Energy: 0.9221907258695208
Energy: 0.8880827691433056
Energy: 0.9221907258720748
Energy: 0.8880827684682381
Energy: 0.9221907258695208
Energy: 0.8880827718950328
Energy: 0.9221907258720748
Energy: 0.916895060529531
Energy: 1.0895355177847352
Energy: 0.9168950605305527
Energy: 1.0895355177826915
Energy: 0.9168950605290201
Energy: 1.089535517784224
Energy: 0.9168950605290201
Energy: 0.8611178963227603
Energy: 0.9118372569547841
Energy: 0.8611178963207168
Energy: 0.9118372569527406
Energy: 0.8611178963207168
Energy: 0.9118372569563167
Energy: 0.8611178963191843
Energy: 0.9202835936063035
Energy: 0.9238254862922871
Energy: 0.9202835936068143
Energy: 0.9238254862943306
Energy: 0.9202835936068143
Energy: 0.9238254862887113
Energy: 0.920283593605839
Energy: 0.9242201483568733
Energy: 0.8879064371130546
Energy: 0.9242201483558518
Energy: 0.8879064371758429
Energy: 0.9242201483568733
Energy: 0.8879064374843046
Energy: 0.9242201483563626
Energy: 0.922456068475273
Energy: 1.0011157646155113
Energy: 0.922456068475273
Energy: 1.0011157646150004
Energy: 0.9224560684732297
Energy: 1.0011157646180655
Energy: 0.9224560684737406
Energy: 0.9249519158195781
Energy: 0.9011697169580206
Energy: 0.9249519158206
Energy: 0.9011697169564881
Energy: 0.924951915820089
Energy: 0.9011697169564881
Energy: 0.9249519158206
Energy: 0.9359166600738162
Energy: 0.8843603338334852
Energy: 0.935916660071773
Energy: 0.8843602568853455
Energy: 0.9359166600733054
Energy: 0.8843602616136981
Energy: 0.9359166600733054
Energy: 0.9253084040591845
Energy: 0.9007514861856838
Energy: 0.9253084040571412
Energy: 0.9007514861867055
Energy: 0.9253084040602062
Energy: 0.9007514861867055
Energy: 0.9253084040586735
Energy: 0.9140412723556729
Energy: 0.9531488514025384
Energy: 0.9140412722652986
Energy: 0.9531488514198609
Energy: 0.9140412723423907
Energy: 0.9531488514152633
Energy: 0.9140412723653791
Energy: 1.0194186081063594
Energy: 0.9389174693243655
Energy: 1.0194186081078918
Energy: 0.9389174693243655
Energy: 1.0194186081063594
Energy: 0.9389174693248763
Energy: 1.0194186081084027
Energy: 0.9897209386953668
Energy: 0.9422883472630971
Energy: 0.9897209386958776
Energy: 0.9422883472620753
Energy: 0.9897209386974102
Energy: 0.9422883472630971
Energy: 0.9897209386953668
Energy: 0.9930506479016599
Energy: 0.9375752226391434
Energy: 0.9930506479026816
Energy: 0.9375752225089226
Energy: 0.9930506479011492
Energy: 0.9375752226779215
Energy: 0.9930506479011492
Energy: 0.9763503418468138
Energy: 1.1567620958317117
Energy: 0.9763503417880658
Energy: 1.156762095833755
Energy: 0.9763503417855117
Energy: 1.1567620958317117
Energy: 0.9763503418861029
Energy: 1.0788046490484433
Energy: 0.9536285768582262
Energy: 1.0788046490469105
Energy: 0.9536285768720191
Energy: 1.0788046490484433
Energy: 0.9536285768536285
Energy: 1.0788046490463998
Energy: 0.9863485097308163
Energy: 0.942325829522977
Energy: 0.986348509728262
Energy: 0.9423258295214445
Energy: 0.9863485097303055
Energy: 0.942325829522977
Energy: 0.9863485097277512
Energy: 0.9283698862934255
Energy: 0.9487772215151491
Energy: 0.9283698862929146
Energy: 0.9487772215141274
Energy: 0.9283698862939364
Energy: 0.9487772215131057
Energy: 0.9283698862913821
Energy: 0.9141226611322968
Energy: 1.1273172429410243
Energy: 0.9141226611374053
Energy: 1.1273172429410243
Energy: 0.9141226611338292
Energy: 1.1273172429410243
Energy: 0.9141226611317859
Energy: 0.9122983295308756
Energy: 0.9579256567889284
Energy: 0.9122983295278569
Energy: 0.9579256567884176
Energy: 0.9122983295538639
Energy: 0.9579256567894393
Energy: 0.9122983295293432
Energy: 0.9163116937033728
Energy: 0.8835932838983722
Energy: 0.9163116937059271
Energy: 0.8835932838932635
Energy: 0.9163116937013294
Energy: 0.883593283895307
Energy: 0.9163116937043945
Energy: 0.9437776992126182
Energy: 0.9146271867576199
Energy: 0.9437776992115967
Energy: 0.9146271867617066
Energy: 0.943777699213129
Energy: 0.9146271867581307
Energy: 0.9437776992126182
Energy: 0.9007853812601889
Energy: 1.0822189772073085
Energy: 0.9007853812586565
Energy: 1.082218977208841
Energy: 0.9007853812596781
Energy: 1.0822189772078195
Energy: 0.9007853812576349
Energy: 0.9254838139976201
Energy: 0.9198620262358591
Energy: 0.9254838140017069
Energy: 0.9198620262338156
Energy: 0.9254838139991528
Energy: 0.9198620262368807
Energy: 0.9254838140001745
Energy: 0.9076913246525753
Energy: 0.8935559005843442
Energy: 0.9076913246520645
Energy: 0.8935559005874094
Energy: 0.9076913246515536
Energy: 0.8935559005863876
Energy: 0.9076913246520645
Energy: 0.9280301000199992
Energy: 0.9000263193203089
Energy: 0.9280301000215315
Energy: 0.9000263193203089
Energy: 0.9280301000199992
Energy: 0.900026319319798
Energy: 0.9280301000220424
Energy: 0.87558830695834
Energy: 1.0657414733953179
Energy: 0.8755883069593619
Energy: 1.065741473397872
Energy: 0.87558830695834
Energy: 1.0657414733963395
Energy: 0.8755883069593619
Energy: 0.9175498152295999
Energy: 0.9198747560067932
Energy: 0.9175498152301107
Energy: 0.9198747560073042
Energy: 0.9175498152306217
Energy: 0.9198747560073042
Energy: 0.9175498152306217
Energy: 0.9211595308032828
Energy: 0.8910852534178795
Energy: 0.9211595308068588
Energy: 0.8910852534173686
Energy: 0.9211595308037936
Energy: 0.8910852534173686
Energy: 0.9211595308068588
Energy: 0.9184690953850843
Energy: 1.0863856940911227
Energy: 0.9184690953835516
Energy: 1.0863856940901009
Energy: 0.9184690953845734
Energy: 1.0863856940901009
Energy: 0.9184690953830408
Energy: 0.8754104691074178
Energy: 0.9004000295073179
Energy: 0.8754104691074178
Energy: 0.9004000295073179
Energy: 0.8754104691079286
Energy: 0.9004000295073179
Energy: 0.8754104691084394
Energy: 0.9175885391612978
Energy: 0.928880933821754
Energy: 0.9175885391592543
Energy: 0.9288809338232865
Energy: 0.917588539160787
Energy: 0.9288809338212431
Energy: 0.9175885391592543

minimum gb energy = 0.8611178963191843 eV
minimum distance =  2.30831906065475 Angstroms
sigma value = 365


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

Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912712559
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912712559
Energy: 2.499842563543786
Energy: 1.0754552728709146
Energy: 1.765794304496498
Energy: 1.0754552728709146
Energy: 1.7658652473488927
Energy: 1.0754552728709146
Energy: 1.9347447063348708
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 1.7594295842872842
Energy: 1.0754552728709146
Energy: 1.7594295842895877
Energy: 1.0754552728709146
Energy: 1.7658426241823522
Energy: 1.0754552728709146
Energy: 1.9347447063855228
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912712559
Energy: 1.9347447071476607
Energy: 1.0754552728709146
Energy: 1.9347447065628185
Energy: 1.0754552728709146
Energy: 1.934744706329112
Energy: 1.0754552728709146
Energy: 1.934744706319924
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912712559
Energy: 0.3380419698234388
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912701041
Energy: 1.7657959601639277
Energy: 1.0754552728709146
Energy: 1.765843388260571
Energy: 1.0754552728709146
Energy: 1.934744706364817
Energy: 1.0754552728709146
Energy: 1.9347447063314156
Energy: 0.3250738912712559
Energy: 0.33804196982574236
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.33804196982574236
Energy: 0.3250738912701041
Energy: 1.7594295842895877
Energy: 1.0754552728709146
Energy: 1.9347447068218644
Energy: 1.0754552728709146
Energy: 1.9347447063222012
Energy: 1.0754552728709146
Energy: 1.9347447063164687
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912701041
Energy: 1.9347447069151058
Energy: 1.0754552728709146
Energy: 1.9347447065996757
Energy: 1.0754552728709146
Energy: 1.9347447063406296
Energy: 1.0754552728709146
Energy: 1.9347447064546035
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912712559
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912712559
Energy: 1.9347447064442373
Energy: 1.0754552728709146
Energy: 1.934744706643417
Energy: 1.0754552728709146
Energy: 1.9347447063314156
Energy: 1.0754552728709146
Energy: 1.9347447063463883
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 1.9347447063567547
Energy: 1.0754552728709146
Energy: 1.9347447063314156
Energy: 1.0754552728709146
Energy: 1.934744706333719
Energy: 1.0754552728709146
Energy: 1.934744706549023
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 0.33804196982574236
Energy: 0.3250738912701041
Energy: 0.3380419698245906
Energy: 0.3250738912701041
Energy: 1.9347447063417815
Energy: 1.0754552728709146
Energy: 1.9347447064143177
Energy: 1.0754552728709146
Energy: 1.9347447071603303
Energy: 1.0754552728709146
Energy: 1.9347447064212282
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912712559
Energy: 0.3380419698234388
Energy: 0.3250738912701041
Energy: 0.3380419698234388
Energy: 0.3250738912712559
Energy: 1.9347447063371743
Energy: 1.0754552728709146
Energy: 1.9347447063371743
Energy: 1.0754552728709146
Energy: 1.9347447066480241
Energy: 1.0754552728709146
Energy: 1.9347447063210494

minimum gb energy = 0.3250738912701041 eV
minimum distance =  2.31478531371447 Angstroms
sigma value = 23