Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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=2.867570169270039
cohesive_energy=4.28033620504353
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: 0.01609905133963397
Energy: 0.45694181962744773
Energy: 0.01609905133963397
Energy: 0.45694181962744773
Energy: 0.01609905133963397
Energy: 0.45694181962744773
Energy: 0.01609905133963397
Energy: 0.016805254686194936
Energy: 0.606111824909995
Energy: 0.016805254686601875
Energy: 0.606111824909995
Energy: 0.016805254686194936
Energy: 0.606111824909995
Energy: 0.016805254686194936
Energy: 1.177517543506536
Energy: 0.5515788454734861
Energy: 1.3793116749698127
Energy: 0.5515788454734861
Energy: 0.016576255398318716
Energy: 0.5515788454734861
Energy: 0.016576255398318716
Energy: 0.016805254686601875
Energy: 0.6061118249095881
Energy: 0.016805254686601875
Energy: 0.606111824909995
Energy: 0.016805254687008817
Energy: 0.6061118249095881
Energy: 0.016805254686601875
Energy: 0.01609905133963397
Energy: 0.45694181962785463
Energy: 0.01609905133963397
Energy: 0.45694181962744773
Energy: 0.01609905133963397
Energy: 0.45694181962744773
Energy: 0.01609905133963397
Energy: 0.016805254686601875
Energy: 0.6061118249095881
Energy: 0.016805254686601875
Energy: 0.606111824909995
Energy: 0.016805254686601875
Energy: 0.606111824909995
Energy: 0.016805254686601875

minimum gb energy = 0.01609905133963397 eV
minimum distance =  2.47874720694891 Angstroms
sigma value = 5


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

Energy: 1.1721921168616765
Energy: 1.4738945588373191
Energy: 1.172192116859246
Energy: 1.4738945588378054
Energy: 1.1721921168616765
Energy: 1.4738945588368775
Energy: 1.172192116859246
Energy: 1.231950776980577
Energy: 1.226940948452951
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Energy: 1.1520592971059904
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Energy: 1.1876027530251727
Energy: 1.2277751904589689
Energy: 1.1876027530232285
Energy: 1.2277751904570247
Energy: 1.1876027530242006
Energy: 1.2277751904584828
Energy: 1.1876027530232285
Energy: 1.1392620775683762
Energy: 1.183292565761736
Energy: 1.1392620775664317
Energy: 1.1832925657607634
Energy: 1.1392620775683762
Energy: 1.183292565761736
Energy: 1.1392620775664317
Energy: 1.1539592107355863
Energy: 1.2115063052358
Energy: 1.153959210734614
Energy: 1.2115063052353139
Energy: 1.1539592107360723
Energy: 1.2115063052353139
Energy: 1.153959210734614
Energy: 1.1454120515172044
Energy: 1.1988307997728875
Energy: 1.1454120515172044
Energy: 1.1988307997724015
Energy: 1.1454120515167183
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Energy: 1.1400107297883297
Energy: 1.1993518751131695
Energy: 1.1400107297868713
Energy: 1.1993518751136556
Energy: 1.1400107297883297

minimum gb energy = 1.094291155352885 eV
minimum distance =  2.29546810337022 Angstroms
sigma value = 401


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

Energy: 1.2414856497701754
Energy: 1.284516057593827
Energy: 1.1479989032433457
Energy: 1.2845160575943788
Energy: 1.2414856497668645
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Energy: 1.2396550101765806
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Energy: 1.2395897474550646
Energy: 1.2522249608366998
Energy: 1.2396550101749253
Energy: 1.2522180844223234
Energy: 1.2395897474545128
Energy: 1.239994632529121
Energy: 1.272031900103813
Energy: 1.2399983791059492
Energy: 1.2720399990498157
Energy: 1.2399946325280173
Energy: 1.272031900101054
Energy: 1.2399983791037423
Energy: 1.2286808204269766
Energy: 1.2524295977629845
Energy: 1.2286760467727524
Energy: 1.252429597763536
Energy: 1.228680820425873
Energy: 1.2524295977629845
Energy: 1.2286760467699935
Energy: 1.2404146318624292
Energy: 1.2655731060590552
Energy: 1.240418151346008
Energy: 1.2655731060596067
Energy: 1.2404146318596703
Energy: 1.2655731060579514
Energy: 1.2404181513438006
Energy: 1.203367823944305
Energy: 1.2087807156509704
Energy: 1.2033678239437533
Energy: 1.2087807156504184
Energy: 1.203367823944305
Energy: 1.2087807156493149
Energy: 1.2033678239432013
Energy: 1.1980495121405297
Energy: 1.2084186580140546
Energy: 1.1980495121416335
Energy: 1.2084186580140546
Energy: 1.1980495121410815
Energy: 1.2084186580123992
Energy: 1.198049512142185
Energy: 1.1479989032444495
Energy: 1.284516057593827
Energy: 1.1479989032433457
Energy: 1.284516057593827
Energy: 1.1479989032444495
Energy: 1.2845160575910683
Energy: 1.147998903245001
Energy: 1.1981969060042659
Energy: 1.2083150470651682
Energy: 1.1981969060031623
Energy: 1.2084686552438293
Energy: 1.198196906001507
Energy: 1.2083150470651682
Energy: 1.1981969060020587

minimum gb energy = 1.1479989032433457 eV
minimum distance =  2.32246996267946 Angstroms
sigma value = 311


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

Energy: 1.2479590748690865
Energy: 1.2490147685771633
Energy: 1.2479590748684495
Energy: 1.2490147685765263
Energy: 1.2479590748678124
Energy: 1.2490147685765263
Energy: 1.2479590748678124
Energy: 1.2207370123796093
Energy: 1.214287731203969
Energy: 1.2207370123789723
Energy: 1.214287731203969
Energy: 1.2207370123789723
Energy: 1.214287731204606
Energy: 1.2207370123796093
Energy: 1.180268079097447
Energy: 1.212486457152214
Energy: 1.1802680790980842
Energy: 1.212486457151577
Energy: 1.1802680790980842
Energy: 1.212486457152214
Energy: 1.1802680790980842
Energy: 1.302473647626038
Energy: 1.2940552570784596
Energy: 1.3024736476247636
Energy: 1.2940552570784596
Energy: 1.302473647626038
Energy: 1.2940552570778225
Energy: 1.3024736476266459
Energy: 1.2602337243000612
Energy: 1.2917640954922727
Energy: 1.2602337243000612
Energy: 1.2917640954916354
Energy: 1.2602337243000612
Energy: 1.2917640954916354
Energy: 1.260233724300698
Energy: 1.2507887810455331
Energy: 1.3466469174181985
Energy: 1.2507887810455331
Energy: 1.3466469174181985
Energy: 1.2507887810455331
Energy: 1.3466469174175615
Energy: 1.2507887810461704
Energy: 1.2500728592435275
Energy: 1.3369118870799506
Energy: 1.2500728592441646
Energy: 1.3369118870799506
Energy: 1.2500728592441646
Energy: 1.3369118870805876
Energy: 1.2500728592435275
Energy: 1.2356115966867485
Energy: 1.276462335508099
Energy: 1.2356115966861114
Energy: 1.276462335508099
Energy: 1.2356115966861114
Energy: 1.276462335508099
Energy: 1.2356115966873857
Energy: 1.2601767792192586
Energy: 1.3087086598527358
Energy: 1.2601767792205332
Energy: 1.3087086598527358
Energy: 1.260176779219896
Energy: 1.3087086598520985
Energy: 1.2601767792192586
Energy: 1.1746631444714322
Energy: 1.252859916743003
Energy: 1.1746631444720694
Energy: 1.252859916743003
Energy: 1.1746631444720694
Energy: 1.252859916743003
Energy: 1.1746631444714322
Energy: 1.193340707160433
Energy: 1.2799140823715252
Energy: 1.1933407071610702
Energy: 1.2799140823715252
Energy: 1.1933407071610702
Energy: 1.2799140823715252
Energy: 1.1933407071597961
Energy: 1.2902097841176396
Energy: 1.2806344933518927
Energy: 1.2902097841176396
Energy: 1.2806344933525298
Energy: 1.2902097841182771
Energy: 1.2806344933512555
Energy: 1.2902097841176396
Energy: 1.270204797776411
Energy: 1.2797544322239165
Energy: 1.2702047977776854
Energy: 1.2797544322239165
Energy: 1.270204797777048
Energy: 1.2797544322239165
Energy: 1.270204797777048
Energy: 1.2286686398676905
Energy: 1.2674202357605406
Energy: 1.2286686398670534
Energy: 1.2674202357605406
Energy: 1.2286686398664162
Energy: 1.2674202357611777
Energy: 1.2286686398670534
Energy: 1.2613063566968896
Energy: 1.3183386487366096
Energy: 1.2613063566968896
Energy: 1.3183386487366096
Energy: 1.2613063566975267
Energy: 1.3183386487359725
Energy: 1.2613063566962526
Energy: 1.2489465501086165
Energy: 1.2707183617009705
Energy: 1.2489465501098909
Energy: 1.2707183617016076
Energy: 1.2489465501092538
Energy: 1.2707183617016076
Energy: 1.2489465501098909
Energy: 1.2151828114182912
Energy: 1.178961086937064
Energy: 1.2151828114176542
Energy: 1.178961086937064
Energy: 1.2151828114182912
Energy: 1.1789610869351526
Energy: 1.2151828114182912
Energy: 1.18288235460647
Energy: 1.2103253143872845
Energy: 1.18288235460647
Energy: 1.2103253143872845
Energy: 1.1828823546058327
Energy: 1.2103253143872845
Energy: 1.18288235460647
Energy: 1.3749886060928866
Energy: 1.3180736543320308
Energy: 1.3328515021616734
Energy: 1.3180736543320308
Energy: 1.332851502161036
Energy: 1.3180736543320308
Energy: 1.332851502161036
Energy: 1.2604050439211325
Energy: 1.2749836452181291
Energy: 1.2604050439211325
Energy: 1.2749836452181291
Energy: 1.2604050439217696
Energy: 1.2749836452181291
Energy: 1.2604050439211325
Energy: 1.2511890987200984
Energy: 1.254983860822877
Energy: 1.2511890987194612
Energy: 1.2549838608235142
Energy: 1.2511890987200984
Energy: 1.25498386082224
Energy: 1.2511890987200984
Energy: 1.2593944863596827
Energy: 1.3281615435425096
Energy: 1.2593944863596827
Energy: 1.3281615435425096
Energy: 1.2593944863596827
Energy: 1.3281615435425096
Energy: 1.2593944863596827
Energy: 1.2125557517808343
Energy: 1.2433438454312526
Energy: 1.2125557517808343
Energy: 1.2433438454306154
Energy: 1.2125557517814716
Energy: 1.2433438454312526
Energy: 1.2125557517808343
Energy: 1.2602630192823143
Energy: 1.274435852050165
Energy: 1.2602630192829516
Energy: 1.2744358520514394
Energy: 1.2602630192829516
Energy: 1.274435852050165
Energy: 1.2602630192829516
Energy: 1.1726534423142532
Energy: 1.2329567579843843
Energy: 1.1726534423142532
Energy: 1.232956757983747
Energy: 1.1726534423142532
Energy: 1.2329567579843843
Energy: 1.1726534423142532
Energy: 1.238081045836484
Energy: 1.3186080680365064
Energy: 1.2380810458352096
Energy: 1.3186080680365064
Energy: 1.2380810458352096
Energy: 1.3186080680365064
Energy: 1.238081045836484
Energy: 1.2524712020780266
Energy: 1.2823803377663003
Energy: 1.2524712020767523
Energy: 1.2823803377675747
Energy: 1.2524712020780266
Energy: 1.2823803377669374
Energy: 1.252471202078664
Energy: 1.2166545018425712
Energy: 1.350844696223303
Energy: 1.2166545018432084
Energy: 1.350844696223303
Energy: 1.2166545018425712
Energy: 1.350844696223303
Energy: 1.2166545018432084
Energy: 1.2537655304494806
Energy: 1.2304816157010146
Energy: 1.2537655304494806
Energy: 1.2304816157003775
Energy: 1.2537655304488435
Energy: 1.2304816157022886
Energy: 1.2537655304494806
Energy: 1.2601930971918591
Energy: 1.3185344311770066
Energy: 1.2601930971924964
Energy: 1.3185344311763696
Energy: 1.2601930971931334
Energy: 1.3185344311757325
Energy: 1.2601930971918591
Energy: 1.2094861637764902
Energy: 1.2705908926760887
Energy: 1.2094861637771273
Energy: 1.2705908926760887
Energy: 1.2094861637771273
Energy: 1.2705908926760887
Energy: 1.2094861637764902
Energy: 1.1792670785541015
Energy: 1.252949062438239
Energy: 1.1792670785541015
Energy: 1.2529490624363275
Energy: 1.1792670785541015
Energy: 1.252949062438239
Energy: 1.1792670785541015
Energy: 1.180357669709496
Energy: 1.1889502896544606
Energy: 1.180357669710133
Energy: 1.1889502896538233
Energy: 1.1803576697088587
Energy: 1.1889502896531863
Energy: 1.1803576697088587
Energy: 1.3043885885575965
Energy: 1.3144365056427136
Energy: 1.3043885885582338
Energy: 1.3144365056433511
Energy: 1.3043885885563222
Energy: 1.3144365056427136
Energy: 1.3043885885569595
Energy: 1.266609515222087
Energy: 1.3005753533350306
Energy: 1.2666095152214498
Energy: 1.3005753533343936
Energy: 1.2666095152214498
Energy: 1.3005753533356679
Energy: 1.266609515222087
Energy: 1.2257055414624682
Energy: 1.2686043473971083
Energy: 1.2257055414624682
Energy: 1.2686043473977453
Energy: 1.2257055414618312
Energy: 1.2686043473977453
Energy: 1.2257055414624682

minimum gb energy = 1.1726534423142532 eV
minimum distance =  2.24875722820602 Angstroms
sigma value = 39


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

Energy: 1.1659011651829818
Energy: 1.1705231965961105
Energy: 1.1659011651829818
Energy: 1.170523196596862
Energy: 1.1659011651829818
Energy: 1.170523196596862
Energy: 1.1659011651829818
Energy: 1.239264857254984
Energy: 1.085462091324512
Energy: 1.239264857254984
Energy: 1.085462091324512
Energy: 1.2392648572542322
Energy: 1.085462091325264
Energy: 1.2392648572542322
Energy: 1.2013983569061584
Energy: 1.1095238085987014
Energy: 1.2013983569061584
Energy: 1.1095238085987014
Energy: 1.2013983569061584
Energy: 1.1095238085979493
Energy: 1.2013983569061584
Energy: 1.2712526935945678
Energy: 1.0850936037311525
Energy: 1.27125269359532
Energy: 1.0850936037311525
Energy: 1.27125269359532
Energy: 1.0850936037304002
Energy: 1.271252693593816
Energy: 1.2524841142434264
Energy: 1.0851472502557231
Energy: 1.2524841142449306
Energy: 1.0851472502557231
Energy: 1.2524841142449306
Energy: 1.0851472502549713
Energy: 1.2524841142434264
Energy: 1.2737281806292142
Energy: 1.1456672665049565
Energy: 1.2737281806292142
Energy: 1.1456672665042045
Energy: 1.2737281806277103
Energy: 1.1456672665034529
Energy: 1.2737281806277103
Energy: 1.29506510334983
Energy: 1.1862375048757656
Energy: 1.2710305642210442
Energy: 1.1862375048742617
Energy: 1.2394151927583936
Energy: 1.1862375048742617
Energy: 1.2394151927576416
Energy: 1.219997805572482
Energy: 1.1801772580580425
Energy: 1.2199978055717298
Energy: 1.1801772580580425
Energy: 1.2199978055717298
Energy: 1.1801772580572905
Energy: 1.219997805573234
Energy: 1.2793176418105472
Energy: 1.1636625477800076
Energy: 1.2793176418105472
Energy: 1.1636625477785032
Energy: 1.2793176418112993
Energy: 1.1636625477800076
Energy: 1.2793176418105472
Energy: 1.1744496765116077
Energy: 1.1705051963704853
Energy: 1.1744496765123598
Energy: 1.1705051963704853
Energy: 1.1744496765123598
Energy: 1.1705051963712372
Energy: 1.1744496765123598
Energy: 1.2492039102546946
Energy: 1.1616792280769543
Energy: 1.2492039102539427
Energy: 1.1616792280769543
Energy: 1.2254681387742945
Energy: 1.1616792280754504
Energy: 1.2705546485634134
Energy: 1.1940912565499997
Energy: 1.1245750149708589
Energy: 1.1940912565515038
Energy: 1.1245750149708589
Energy: 1.1940912565499997
Energy: 1.1245750149708589
Energy: 1.1940912565499997
Energy: 1.1917438393321889
Energy: 1.0851195236547109
Energy: 1.191743839331437
Energy: 1.0851195236547109
Energy: 1.191743839331437
Energy: 1.0851195236547109
Energy: 1.191743839331437
Energy: 1.1791613589174625
Energy: 1.1097691142648387
Energy: 1.1791613589182144
Energy: 1.1097691142655906
Energy: 1.1791613589174625
Energy: 1.1097691142663424
Energy: 1.1791613589174625
Energy: 1.216638852588439
Energy: 1.145827963441762
Energy: 1.2640098285920593
Energy: 1.14582796344101
Energy: 1.2640098285928116
Energy: 1.145827963441762
Energy: 1.3039008430120331
Energy: 1.1794513396354844
Energy: 1.1682702894561425
Energy: 1.1794513396354844
Energy: 1.1682702894561425
Energy: 1.1794513396347324
Energy: 1.1682702894561425
Energy: 1.1794513396354844
Energy: 1.260396593950221
Energy: 1.1494585797552794
Energy: 1.2603965939546988
Energy: 1.1494585797552794
Energy: 1.2603965939546988
Energy: 1.1494585797552794
Energy: 1.2603965939539468
Energy: 1.2359586125910424
Energy: 1.1616181918527941
Energy: 1.2359586125917943
Energy: 1.1616181918535462
Energy: 1.2359586125917943
Energy: 1.1616181918535462
Energy: 1.2359586125917943
Energy: 1.2389267869051082
Energy: 1.1891651239037604
Energy: 1.2389267869051082
Energy: 1.1891651239037604
Energy: 1.238926786906612
Energy: 1.1891651239037604
Energy: 1.2389267869051082
Energy: 1.1744905680574365
Energy: 1.17042268117644
Energy: 1.1744905680574365
Energy: 1.1704226811756877
Energy: 1.1744905680574365
Energy: 1.17042268117644
Energy: 1.1744905680581883
Energy: 1.2499084161946155
Energy: 1.0850405171299364
Energy: 1.2499084161953677
Energy: 1.0850405171299364
Energy: 1.2499084161938638
Energy: 1.0850405171299364
Energy: 1.2499084161953677
Energy: 1.202321891396066
Energy: 1.1102065521146247
Energy: 1.2023218913945624
Energy: 1.1102065521153768
Energy: 1.2023218913945624
Energy: 1.1102065521153768
Energy: 1.2023218913953142
Energy: 1.2709430789325507
Energy: 1.1096079590842398
Energy: 1.2709430789333025
Energy: 1.1096079590842398
Energy: 1.2709430789333025
Energy: 1.1096079590842398
Energy: 1.2709430789325507
Energy: 1.2434201357693242
Energy: 1.085422101991478
Energy: 1.2434201357693242
Energy: 1.085422101991478
Energy: 1.2434201357700763
Energy: 1.08542210199223
Energy: 1.2434201357700763
Energy: 1.263154684932675
Energy: 1.146658928223893
Energy: 1.263154684932675
Energy: 1.146658928223141
Energy: 1.263154684932675
Energy: 1.1466589282223894
Energy: 1.263154684932675
Energy: 1.239700212784027
Energy: 1.1487973991577214
Energy: 1.2397002127832752
Energy: 1.1487973991569695
Energy: 1.2397002127832752
Energy: 1.1487973991584735
Energy: 1.2397002127847792
Energy: 1.2366756016177445
Energy: 1.161499072648067
Energy: 1.2366756016184965
Energy: 1.161499072648819
Energy: 1.2366756016192486
Energy: 1.161499072649571
Energy: 1.2366756016184965
Energy: 1.2391617410761555
Energy: 1.1491102903277484
Energy: 1.2391617410769074
Energy: 1.1491102903277484
Energy: 1.2391617410769074
Energy: 1.1491102903269963
Energy: 1.2391617410761555
Energy: 1.1659011651829818
Energy: 1.1705231965961105
Energy: 1.1659011651822297
Energy: 1.170523196596862
Energy: 1.1659011651822297
Energy: 1.170523196596862
Energy: 1.1659011651822297
Energy: 1.239264857254984
Energy: 1.085462091324512
Energy: 1.2392648572542322
Energy: 1.085462091324512
Energy: 1.2392648572534803
Energy: 1.085462091325264
Energy: 1.2392648572542322

minimum gb energy = 1.0850405171299364 eV
minimum distance =  2.26133274069148 Angstroms
sigma value = 21


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

Energy: 1.1470547296097724
Energy: 1.2221269224003564
Energy: 1.1470547296088593
Energy: 1.2221269224003564
Energy: 1.1470547296088593
Energy: 1.2221269224003564
Energy: 1.1470547296088593
Energy: 1.0598160065687046
Energy: 1.0334620219660455
Energy: 1.0598160065687046
Energy: 1.0334620219669584
Energy: 1.0598160065687046
Energy: 1.0334620219660455
Energy: 1.0598160065687046
Energy: 1.1514714138165985
Energy: 1.105887727977151
Energy: 1.1514714138165985
Energy: 1.105887727977151
Energy: 1.1514714138165985
Energy: 1.105887727977151
Energy: 1.1514714138165985
Energy: 0.9878497796056992
Energy: 1.0323678034261663
Energy: 0.9878497796066121
Energy: 1.0323678034261663
Energy: 0.9878497796075247
Energy: 1.0323678034261663
Energy: 0.9878497796093506
Energy: 1.0062216245414566
Energy: 1.0533022704012729
Energy: 1.0062216245414566
Energy: 1.0533022704012729
Energy: 1.0062216245414566
Energy: 1.0533022704021857
Energy: 1.0062216245414566
Energy: 0.9879564253407249
Energy: 1.059343291266211
Energy: 0.9879564253416377
Energy: 1.059343291266211
Energy: 0.9879564253416377
Energy: 1.059343291266211
Energy: 0.9879564253416377
Energy: 1.0221367320293824
Energy: 1.0683788087940422
Energy: 1.0221367320284698
Energy: 1.068378808794955
Energy: 1.0221367320293824
Energy: 1.0683788087940422
Energy: 1.0221367320284698
Energy: 1.0160882730092473
Energy: 1.0222607842988571
Energy: 1.0160882730092473
Energy: 1.0222607842988571
Energy: 1.0160882730092473
Energy: 1.0222607842988571
Energy: 1.0160882730083345
Energy: 1.0465996742145454
Energy: 1.0223403919069116
Energy: 1.0465996742145454
Energy: 1.0223403919078247
Energy: 1.0465996742136325
Energy: 1.0223403919069116
Energy: 1.0465996742145454
Energy: 1.0242814007838217
Energy: 1.0653061529526908
Energy: 1.0242814007838217
Energy: 1.0653061529526908
Energy: 1.0242814007838217
Energy: 1.0653061529526908
Energy: 1.0242814007838217
Energy: 1.0046231565975106
Energy: 1.0227639015578853
Energy: 1.0046231565965977
Energy: 1.0227639015578853
Energy: 1.0046231565965977
Energy: 1.0227639015578853
Energy: 1.0046231565965977
Energy: 1.0061207796055938
Energy: 1.017683495881675
Energy: 1.0061207796055938
Energy: 1.017683495881675
Energy: 1.0061207796055938
Energy: 1.017683495881675
Energy: 1.0061207796055938
Energy: 1.0441622430370412
Energy: 1.0231960620303546
Energy: 1.0441622430370412
Energy: 1.0231960620303546
Energy: 1.0441622430370412
Energy: 1.0231960620294418
Energy: 1.0441622430361284
Energy: 1.1061283358870835
Energy: 1.0344364850687349
Energy: 1.1061283358870835
Energy: 1.0344364850659964
Energy: 1.1061283358870835
Energy: 1.0344364850669092
Energy: 1.1061283358870835
Energy: 1.0469896012820956
Energy: 1.023440737080185
Energy: 1.0469896012820956
Energy: 1.023440737080185
Energy: 1.0469896012820956
Energy: 1.023440737080185
Energy: 1.0469896012820956
Energy: 1.1243703080520715
Energy: 1.0871384215026079
Energy: 1.1243703080520715
Energy: 1.0871384215035207
Energy: 1.1243703080520715
Energy: 1.0871384215026079
Energy: 1.1243703080520715
Energy: 1.0968642715581618
Energy: 1.0225431931662203
Energy: 1.0968642715581618
Energy: 1.0225431931662203
Energy: 1.0968642715581618
Energy: 1.0225431931662203
Energy: 1.0968642715581618
Energy: 1.0700367559869424
Energy: 1.034409268303879
Energy: 1.0700367559869424
Energy: 1.034409268304792
Energy: 1.0700367559869424
Energy: 1.034409268304792
Energy: 1.0700367559869424
Energy: 1.013268729362119
Energy: 1.0230518142941947
Energy: 1.013268729362119
Energy: 1.0230518142941947
Energy: 1.013268729361206
Energy: 1.0230518142941947
Energy: 1.013268729362119
Energy: 1.0061521736144619
Energy: 1.0172601305392026
Energy: 1.0061521736135492
Energy: 1.0172601305383104
Energy: 1.0061521736144619
Energy: 1.0172601305392026
Energy: 1.0061521736135492
Energy: 1.0427963330234742
Energy: 1.126162851777865
Energy: 1.0427963330234742
Energy: 1.126162851777865
Energy: 1.0427963330234742
Energy: 1.126162851777865
Energy: 1.0427963330234742
Energy: 0.98538838188318
Energy: 1.0680877377463067
Energy: 0.98538838188318
Energy: 1.0680877377463067
Energy: 0.98538838188318
Energy: 1.0680877377463067
Energy: 0.9853883818822672
Energy: 1.0395217468892406
Energy: 1.0226715659854566
Energy: 1.0395217468892406
Energy: 1.0226715659854566
Energy: 1.0395217468892406
Energy: 1.0226715659854566
Energy: 1.0395217468892406
Energy: 1.047919595948856
Energy: 1.0184378700912624
Energy: 1.047919595947943
Energy: 1.0184378700912624
Energy: 1.047919595948856
Energy: 1.0184378700912624
Energy: 1.047919595947943
Energy: 1.0368542148493636
Energy: 1.0799760388359654
Energy: 1.0368542148484508
Energy: 1.0799760388350526
Energy: 1.0368542148493636
Energy: 1.0799760388359654
Energy: 1.0368542148484508

minimum gb energy = 0.9853883818822672 eV
minimum distance =  2.30670805540327 Angstroms
sigma value = 113


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

Energy: 0.9949604377071634
Energy: 1.016637788724102
Energy: 0.994960437706654
Energy: 1.0166377887205358
Energy: 0.9949604377071634
Energy: 1.016637788723083
Energy: 0.994960437706654
Energy: 0.9865074457552729
Energy: 0.9198765142788933
Energy: 0.9865074457562917
Energy: 0.9198765142799122
Energy: 0.9865074457557823
Energy: 0.9198765142788933
Energy: 0.9865074457562917
Energy: 0.982421969330273
Energy: 0.9516079795741965
Energy: 0.9824219693323109
Energy: 0.9516079795757247
Energy: 0.982421969330273
Energy: 0.9516079795736869
Energy: 0.9824219693328202
Energy: 0.9201029566844917
Energy: 0.9368228424929828
Energy: 0.9201029566855108
Energy: 0.9368228424929828
Energy: 0.9201029566839822
Energy: 0.9368228424934921
Energy: 0.9201029566850013
Energy: 0.9485409180244382
Energy: 0.9655994560868503
Energy: 0.9485409180244382
Energy: 0.9655994560883786
Energy: 0.9485409180244382
Energy: 0.9655994560868503
Energy: 0.9485409180244382
Energy: 0.9209460661845355
Energy: 0.9239310035438274
Energy: 0.9209460661845355
Energy: 0.923931003544337
Energy: 0.9209460661845355
Energy: 0.9239310035438274
Energy: 0.920946066184026
Energy: 0.9201071156198212
Energy: 1.065310357829417
Energy: 0.9201071156177834
Energy: 1.0653103578289076
Energy: 0.9201071156193118
Energy: 1.065310357829417
Energy: 0.9201071156177834
Energy: 0.9373308207326994
Energy: 0.8783083628179473
Energy: 0.9373308207321899
Energy: 0.8783083628184568
Energy: 0.9373308207332087
Energy: 0.8783083628169285
Energy: 0.9373308207321899
Energy: 0.9139164503713373
Energy: 0.9205071497134156
Energy: 0.9139164503713373
Energy: 0.9205071497144347
Energy: 0.9139164503713373
Energy: 0.9205071497134156
Energy: 0.9139164503713373
Energy: 0.9218201304635689
Energy: 0.8890715882274207
Energy: 0.9218201304630596
Energy: 0.8890715882279302
Energy: 0.9218201304635689
Energy: 0.8890715882274207
Energy: 0.9218201304635689
Energy: 0.8969598011565794
Energy: 0.8694429872291222
Energy: 0.8969598011596361
Energy: 0.8694429872291222
Energy: 0.8969598011565794
Energy: 0.8694429872296315
Energy: 0.8969598011601455
Energy: 0.9014127037089892
Energy: 0.9431664791951314
Energy: 0.9014127037105176
Energy: 0.9431664791966597
Energy: 0.9014127037089892
Energy: 0.9431664791951314
Energy: 0.9014127037100081
Energy: 0.8672211810900532
Energy: 0.9281281141217402
Energy: 0.8672211810915815
Energy: 0.9281281141222497
Energy: 0.8672211810905626
Energy: 0.9281281141227592
Energy: 0.8672211810895437
Energy: 0.9271714243191912
Energy: 0.8889889961038902
Energy: 0.9271714243186818
Energy: 0.8889889961059282
Energy: 0.9271714243191912
Energy: 0.8889889961038902
Energy: 0.9271714243186818
Energy: 0.8929090590599408
Energy: 0.952708841140667
Energy: 0.8929090590573936
Energy: 0.952708841140667
Energy: 0.8929090590604503
Energy: 0.952708841140667
Energy: 0.8929090590604503
Energy: 0.8984518887337294
Energy: 1.0188426614572819
Energy: 0.8984518887332199
Energy: 1.0188426614577915
Energy: 0.8984518887337294
Energy: 1.0188426614577915
Energy: 0.8984518887332199
Energy: 0.8671955638889133
Energy: 0.8790667957121412
Energy: 0.8671955638884038
Energy: 0.8790667957136232
Energy: 0.8671955638884038
Energy: 0.8790667957126044
Energy: 0.8671955638889133
Energy: 0.8929214745789532
Energy: 0.8974531078077715
Energy: 0.8929214745799721
Energy: 0.8974531078087904
Energy: 0.8929214745789532
Energy: 0.8974531078072621
Energy: 0.8929214745794627
Energy: 0.921383048603248
Energy: 0.8732999144030446
Energy: 0.9213830486027387
Energy: 0.8732999144030446
Energy: 0.9213830486037576
Energy: 0.8732999144030446
Energy: 0.9213830486022292
Energy: 0.9067511075752129
Energy: 0.9979130860093323
Energy: 0.9067511075757223
Energy: 0.9979130860113701
Energy: 0.9067511075747035
Energy: 0.9979130860078039
Energy: 0.9067511075757223
Energy: 0.9321410158361089
Energy: 0.8792716627411373
Energy: 0.9321410158366183
Energy: 0.8792716627431753
Energy: 0.9321410158361089
Energy: 0.8792716627416468
Energy: 0.9321410158366183
Energy: 0.9123855630346888
Energy: 0.8886984380676585
Energy: 0.9123855630341793
Energy: 0.8886984380702057
Energy: 0.9123855630341793
Energy: 0.8886984380681681
Energy: 0.9123855630336699
Energy: 0.9213193394355311
Energy: 0.9193303997686645
Energy: 0.9213193394334933
Energy: 0.9193303997691739
Energy: 0.9213193394355311
Energy: 0.919330399768155
Energy: 0.9213193394334933
Energy: 0.8966937486645171
Energy: 1.0478400210779173
Energy: 0.896693748665536
Energy: 1.047840021076389
Energy: 0.8966937486640076
Energy: 1.047840021076389
Energy: 0.8966937486650265
Energy: 0.9010816962277313
Energy: 0.9211510376674323
Energy: 0.9010816962287502
Energy: 0.9211510376674323
Energy: 0.9010816962277313
Energy: 0.9211510376679419
Energy: 0.9010816962287502
Energy: 0.9698997991534469
Energy: 0.911356164882758
Energy: 0.9698997991493713
Energy: 0.9113561648832674
Energy: 0.9698997991534469
Energy: 0.9113561648832674
Energy: 0.9698997991493713
Energy: 0.9809365439259947
Energy: 0.9160997888594294
Energy: 0.9809365439265041
Energy: 0.9160997888594294
Energy: 0.9809365439259947
Energy: 0.9160997888584105
Energy: 0.9809365439259947
Energy: 0.9592746078464061
Energy: 0.9364782401999888
Energy: 0.9592746078453872
Energy: 0.9364782402004982
Energy: 0.9592746078464061
Energy: 0.9364782401994793
Energy: 0.9592746078453872
Energy: 0.962477290631499
Energy: 0.9263883815680463
Energy: 0.96247729063048
Energy: 0.9263883815649895
Energy: 0.9624772906299707
Energy: 0.9263883815675368
Energy: 0.9624772906284423
Energy: 0.95588644870284
Energy: 0.911313479721905
Energy: 0.95588644870284
Energy: 0.9113134797213956
Energy: 0.95588644870284
Energy: 0.911313479721905
Energy: 0.9558864487033496
Energy: 0.9200010711626961
Energy: 0.9115306163345026
Energy: 0.9200010711611678
Energy: 0.9115306163355215
Energy: 0.9200010711621868
Energy: 0.9115306163334836
Energy: 0.9200010711621868
Energy: 0.8965822224635133
Energy: 1.0311238730881642
Energy: 0.8965822224640226
Energy: 1.0311238730871455
Energy: 0.8965822224630038
Energy: 1.0311238730871455
Energy: 0.8965822224640226
Energy: 0.9118115051547027
Energy: 0.9239782097234991
Energy: 0.9118115051547027
Energy: 0.9239782097245179
Energy: 0.9118115051541933
Energy: 0.9239782097229897
Energy: 0.9118115051541933
Energy: 0.9064284058353327
Energy: 0.9074967343579627
Energy: 0.9064284058338044
Energy: 0.9074967343574533
Energy: 0.9064284058353327
Energy: 0.9074967343574533
Energy: 0.9064284058343138
Energy: 0.9411353427380361
Energy: 0.8848688924483606
Energy: 0.9411353427385455
Energy: 0.8848688924503985
Energy: 0.9411353427380361
Energy: 0.88486889244887
Energy: 0.9411353427385455
Energy: 0.89760774991218
Energy: 0.9942913550151332
Energy: 0.8976077499111611
Energy: 0.9942913550156426
Energy: 0.89760774991218
Energy: 0.9942913550151332
Energy: 0.8976077499116706
Energy: 0.9068272696929639
Energy: 0.8874978333384442
Energy: 0.9068272696924544
Energy: 0.887497833340482
Energy: 0.9068272696934733
Energy: 0.8874978333384442
Energy: 0.9068272696893975
Energy: 0.8885589056146798
Energy: 0.8686920197778463
Energy: 0.8885589056131515
Energy: 0.8686920197803935
Energy: 0.8885589056146798
Energy: 0.8686920197778463
Energy: 0.888558905612642
Energy: 0.9025399523219296
Energy: 0.9116268165178127
Energy: 0.902539952322439
Energy: 0.9116268165193411
Energy: 0.9025399523219296
Energy: 0.9116268165183222
Energy: 0.902539952322439
Energy: 0.8675816893821461
Energy: 0.9056629707542602
Energy: 0.8675816893816367
Energy: 0.905662970756298
Energy: 0.8675816893826557
Energy: 0.9056629707557885
Energy: 0.8675816893816367
Energy: 0.8926708930175662
Energy: 0.8876859044085681
Energy: 0.892670893019604
Energy: 0.8876859044085681
Energy: 0.8926708930180756
Energy: 0.8876859044085681
Energy: 0.892670893019604
Energy: 0.8923816870951038
Energy: 0.8733166216935606
Energy: 0.8923816870945944
Energy: 0.8733166216920323
Energy: 0.8923816870951038
Energy: 0.8733166216930511
Energy: 0.8923816870945944
Energy: 0.8972898119700116
Energy: 1.0213545953674363
Energy: 0.8972898119689927
Energy: 1.0213545953710026
Energy: 0.8972898119700116
Energy: 1.0213545953679457
Energy: 0.8972898119689927
Energy: 0.8687487144938885
Energy: 0.878326803791482
Energy: 0.8687487144933789
Energy: 0.8783268037909726
Energy: 0.8687487144938885
Energy: 0.8783268037919916
Energy: 0.8687487144928695
Energy: 0.8921132423427812
Energy: 0.8960309983859324
Energy: 0.8921132423432907
Energy: 0.8960309983849133
Energy: 0.8921132423427812
Energy: 0.8960309983859324
Energy: 0.8921132423438002

minimum gb energy = 0.8671955638884038 eV
minimum distance =  2.29758156939816 Angstroms
sigma value = 365


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

Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181998075
Energy: 2.3357908513550822
Energy: 0.965475399140276
Energy: 1.9934221986574525
Energy: 0.9654753991414246
Energy: 1.993422198656304
Energy: 0.965475399140276
Energy: 1.993422198656304
Energy: 0.35420230181768353
Energy: 0.3089613743603133
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181768353
Energy: 0.3089613743603133
Energy: 0.35420230181768353
Energy: 2.3521550578710197
Energy: 0.965475399140276
Energy: 1.9947400399480415
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743603133
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 1.994740039950339
Energy: 0.9654753991414246
Energy: 1.7804173776220107
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.35420230181768353
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 1.994740039952636
Energy: 0.965475399140276
Energy: 1.993422198656304
Energy: 0.9654753991414246
Energy: 1.993422198656304
Energy: 0.9654753991414246
Energy: 1.993422198656304
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 1.9947400399480415
Energy: 0.9654753991414246
Energy: 1.9947400399480415
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.35420230181768353
Energy: 0.3089613743591647
Energy: 0.35420230181768353
Energy: 0.3089613743591647
Energy: 0.35420230181768353
Energy: 0.3089613743591647
Energy: 0.35420230181768353
Energy: 1.7804173776208618
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181998075
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181998075
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.35420230181768353
Energy: 0.3089613743603133
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181768353
Energy: 0.3089613743603133
Energy: 0.35420230181883217
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776197132
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743603133
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 1.7804173776208618
Energy: 0.9654753991414246
Energy: 1.7804173776220107
Energy: 0.965475399140276
Energy: 1.7804173776197132
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.35420230181768353
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 0.3089613743591647
Energy: 0.35420230181768353
Energy: 0.3089613743591647
Energy: 0.35420230181883217
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618
Energy: 0.9654753991414246
Energy: 1.7804173776208618
Energy: 0.965475399140276
Energy: 1.7804173776208618

minimum gb energy = 0.3089613743591647 eV
minimum distance =  2.31750344368292 Angstroms
sigma value = 23