Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553245961666107
cohesive_energy=4.122759350632683
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: 0.015645251751426403
Energy: 0.5026706890936744
Energy: 0.015645251751426403
Energy: 0.5026706890944952
Energy: 0.015645251751814037
Energy: 0.5026706890940847
Energy: 0.015645251751426403
Energy: 0.016474382731684143
Energy: 0.5596100332587425
Energy: 0.016474382731684143
Energy: 0.5596100332587425
Energy: 0.016474382731684143
Energy: 0.5596100332587425
Energy: 0.016474382731684143
Energy: 0.41439208301461394
Energy: 0.547899908579224
Energy: 0.4143920830142035
Energy: 0.5478999086137236
Energy: 0.41439208301461394
Energy: 0.5478999085431054
Energy: 0.4143920830150016
Energy: 0.016474382731684143
Energy: 0.5596100332587425
Energy: 0.016474382731684143
Energy: 0.5596100332587425
Energy: 0.016474382731273704
Energy: 0.5596100332583548
Energy: 0.016474382731273704
Energy: 0.015645251751814037
Energy: 0.5026706890940847
Energy: 0.015645251751814037
Energy: 0.5026706890940847
Energy: 0.015645251751814037
Energy: 0.5026706890940847
Energy: 0.015645251751426403
Energy: 0.016474382731684143
Energy: 0.5596100332587425
Energy: 0.016474382731273704
Energy: 0.5596100332587425
Energy: 0.016474382731684143
Energy: 0.5596100332587425
Energy: 0.016474382731684143

minimum gb energy = 0.015645251751426403 eV
minimum distance =  2.46848319763324 Angstroms
sigma value = 5


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

Energy: 1.2708923059669668
Energy: 1.6735525349093356
Energy: 1.2708923059684378
Energy: 1.6735525349088454
Energy: 1.2708923059679476
Energy: 1.6735525349093356
Energy: 1.270892305967457
Energy: 1.2422194786928495
Energy: 1.2385981610938772
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Energy: 1.173050808851709
Energy: 1.2727228681883493
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Energy: 1.173050808851709
Energy: 1.2727228681883493
Energy: 1.1730508088512188
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Energy: 1.273560338566086
Energy: 1.1505783463287955
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Energy: 1.2667000340326815
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Energy: 1.2821805319473245
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Energy: 1.1716085770608586
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Energy: 1.3564153897354492
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Energy: 1.3564153897364297
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Energy: 1.353596111913834
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Energy: 1.3535961119143245
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Energy: 1.2217964685680285
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Energy: 1.1871745254184896
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Energy: 1.2469447550429162
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Energy: 1.1475515154352471
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Energy: 1.201650139943479
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Energy: 1.2016501399444597
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Energy: 1.2179394554255032
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Energy: 1.2614592315750819
Energy: 1.2879716728181256
Energy: 1.2614592315760624
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Energy: 1.2614592315745916
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Energy: 1.1658068720442052
Energy: 1.1577244359079037
Energy: 1.1658068720446955
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Energy: 1.1658068720442052
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Energy: 1.296389876402526
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Energy: 1.1972320187550953
Energy: 1.212133903500244
Energy: 1.1972320187546053
Energy: 1.2121339034997538
Energy: 1.1972320187546053
Energy: 1.2121339034992635
Energy: 1.1972320187546053
Energy: 1.286569295135603
Energy: 1.2927486100468681
Energy: 1.286569295134132
Energy: 1.2927486100463779
Energy: 1.286569295134132
Energy: 1.2927486100468681
Energy: 1.286569295135603
Energy: 1.2151027322503536
Energy: 1.2672527797260407
Energy: 1.2151027322503536
Energy: 1.2672527797260407
Energy: 1.2151027322503536
Energy: 1.2672527797250603
Energy: 1.2151027322503536
Energy: 1.2034119008462694
Energy: 1.2560495977203514
Energy: 1.2034119008467596
Energy: 1.2560495977203514
Energy: 1.2034119008457793
Energy: 1.2560495977203514
Energy: 1.2034119008462694
Energy: 1.1776553486819317
Energy: 1.2268586022824974
Energy: 1.1776553486814414
Energy: 1.2268586022810264
Energy: 1.1776553486819317
Energy: 1.2268586022815167
Energy: 1.1776553486819317
Energy: 1.1900780930730988
Energy: 1.238711704157063
Energy: 1.1900780930730988
Energy: 1.2387117041575533
Energy: 1.1900780930730988
Energy: 1.238711704157063
Energy: 1.1900780930730988

minimum gb energy = 1.14275282211958 eV
minimum distance =  2.26354364825544 Angstroms
sigma value = 401


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

Energy: 1.3532319705137223
Energy: 1.3306489094829785
Energy: 1.3532319705126599
Energy: 1.3306489094829785
Energy: 1.3532319705126599
Energy: 1.3306489094829785
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Energy: 1.255199454050994
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Energy: 1.2914432809468308
Energy: 1.2072705744613847
Energy: 1.2742938021993302
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Energy: 1.3309118730077567
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Energy: 1.3375165201217347
Energy: 1.3144438961782152
Energy: 1.3309118730083134
Energy: 1.285306505437287
Energy: 1.3142973508529954
Energy: 1.2910350987781474
Energy: 1.3111326607113163
Energy: 1.285306505435061
Energy: 1.3142973508518825
Energy: 1.2910350984977592
Energy: 1.2188458430904145
Energy: 1.310599023244791
Energy: 1.218895299795216
Energy: 1.3105990232442346
Energy: 1.2188458430915279
Energy: 1.3105990232453477
Energy: 1.2188952997957727
Energy: 1.2297657859114257
Energy: 1.3389548022643152
Energy: 1.2369420435608698
Energy: 1.3389548022637585
Energy: 1.2297657859103124
Energy: 1.3389548022643152
Energy: 1.2369420435603133
Energy: 1.1941025561982332
Energy: 1.2307983551448165
Energy: 1.1941025561982332
Energy: 1.2307983551453734
Energy: 1.1941025561982332
Energy: 1.2307983551448165
Energy: 1.1941025561982332
Energy: 1.1909905966831813
Energy: 1.218675133219004
Energy: 1.2550282209990287
Energy: 1.2186751332178911
Energy: 1.1909905966826246
Energy: 1.2186751332178911
Energy: 1.2550282209995849
Energy: 1.2681362072918163
Energy: 1.3306489094824223
Energy: 1.353231970513166
Energy: 1.3306489094824223
Energy: 1.2681362072918163
Energy: 1.3306489094824223
Energy: 1.353231970513166
Energy: 1.1917963488807493
Energy: 1.2703806405492448
Energy: 1.255199454050994
Energy: 1.2712471055076742
Energy: 1.1917963488807493
Energy: 1.2703806405498015
Energy: 1.255199454050994

minimum gb energy = 1.1909905966826246 eV
minimum distance =  2.2413477876615 Angstroms
sigma value = 311


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

Energy: 1.267217351773666
Energy: 1.360644267875325
Energy: 1.2131963119767317
Energy: 1.260195287469034
Energy: 1.267217351773666
Energy: 1.360644267875325
Energy: 1.2131963119767317
Energy: 1.2320991508151622
Energy: 1.1950069807596462
Energy: 1.2035277595401663
Energy: 1.19217269835833
Energy: 1.2320991508151622
Energy: 1.1950069807596462
Energy: 1.2035277595401663
Energy: 1.1989021199717018
Energy: 1.2271953036209673
Energy: 1.199047418853705
Energy: 1.2277957184067645
Energy: 1.1989021199717018
Energy: 1.2271953036203247
Energy: 1.199047418853705
Energy: 1.2393945388053238
Energy: 1.3018424860522329
Energy: 1.2622041987143733
Energy: 1.3018424860522329
Energy: 1.2393945388059664
Energy: 1.3018424860522329
Energy: 1.262204198713731
Energy: 1.3068704921864953
Energy: 1.3520492140278777
Energy: 1.3039268155524952
Energy: 1.3520492140278777
Energy: 1.3068704921864953
Energy: 1.3520492140278777
Energy: 1.3039268155524952
Energy: 1.2274541255275058
Energy: 1.382131972898038
Energy: 1.2274541255268632
Energy: 1.3820678185497242
Energy: 1.2274541255268632
Energy: 1.382131972898038
Energy: 1.2274541255268632
Energy: 1.2377035283616211
Energy: 1.3728688716626365
Energy: 1.2377035283609785
Energy: 1.371735098091719
Energy: 1.2377035283609785
Energy: 1.3728688716626365
Energy: 1.2377035283616211
Energy: 1.3134605311686098
Energy: 1.3178294470568481
Energy: 1.3134605311692527
Energy: 1.3178294470562055
Energy: 1.3134605311692527
Energy: 1.3178294470568481
Energy: 1.3134605311692527
Energy: 1.2625354419515882
Energy: 1.3128010175125542
Energy: 1.2625354419522308
Energy: 1.3128010175119118
Energy: 1.2625354419515882
Energy: 1.3128010175119118
Energy: 1.2625354419515882
Energy: 1.1688272864755034
Energy: 1.2815690906226036
Energy: 1.1688773422446732
Energy: 1.2815641187919042
Energy: 1.1688272864755034
Energy: 1.2815690906226036
Energy: 1.1688773422433882
Energy: 1.1872066117254054
Energy: 1.2850838664546886
Energy: 1.1873739623212385
Energy: 1.2848502711699261
Energy: 1.1872066117254054
Energy: 1.2850838664546886
Energy: 1.1873739623212385
Energy: 1.336150731750542
Energy: 1.3507993953095299
Energy: 1.336150731750542
Energy: 1.3507993953101722
Energy: 1.336150731750542
Energy: 1.3507993953101722
Energy: 1.336150731750542
Energy: 1.2889822344934694
Energy: 1.3083472989863265
Energy: 1.2889822344928268
Energy: 1.3083472989863265
Energy: 1.2889822344921842
Energy: 1.308347298986969
Energy: 1.2889822344928268
Energy: 1.2182801702410435
Energy: 1.2643750420136222
Energy: 1.2182801702410435
Energy: 1.2643750420136222
Energy: 1.2182801702410435
Energy: 1.2643750420136222
Energy: 1.2182801702410435
Energy: 1.3567776991862694
Energy: 1.2297891305984388
Energy: 1.27688535852352
Energy: 1.2296506637508742
Energy: 1.3567776991824136
Energy: 1.2297891305984388
Energy: 1.2768853585228774
Energy: 1.2782265843853537
Energy: 1.305308354091989
Energy: 1.2128691521950619
Energy: 1.3053083540926316
Energy: 1.2782265843853537
Energy: 1.3053083540926316
Energy: 1.2128691521944193
Energy: 1.184608441201551
Energy: 1.2447246404098746
Energy: 1.202046006248524
Energy: 1.2464902298343623
Energy: 1.184608441201551
Energy: 1.2447246404098746
Energy: 1.202046006248524
Energy: 1.1851322071881247
Energy: 1.242534472755276
Energy: 1.18520405893393
Energy: 1.2347539065982813
Energy: 1.1851322071874821
Energy: 1.2425344727546332
Energy: 1.1852040589332875
Energy: 1.3444974258439932
Energy: 1.4071248006216217
Energy: 1.3385431622143256
Energy: 1.3511101004643231
Energy: 1.3385431622143256
Energy: 1.4071248006216217
Energy: 1.3385431622143256
Energy: 1.2641375149949419
Energy: 1.3576057622125945
Energy: 1.2641375149955845
Energy: 1.340458821552065
Energy: 1.2641375149949419
Energy: 1.3576057622125945
Energy: 1.2641375149949419
Energy: 1.2421574374150823
Energy: 1.24029086173681
Energy: 1.2421574374150823
Energy: 1.24029086173681
Energy: 1.2421574374144397
Energy: 1.24029086173681
Energy: 1.2421574374150823
Energy: 1.2584039369474098
Energy: 1.310942618553967
Energy: 1.2584039369474098
Energy: 1.310942618553967
Energy: 1.2584039369467672
Energy: 1.3109426185546096
Energy: 1.2584039369474098
Energy: 1.371260315389817
Energy: 1.28416913061753
Energy: 1.319840103967696
Energy: 1.258069578042811
Energy: 1.3308089298474033
Energy: 1.2841691306181726
Energy: 1.2796133126590705
Energy: 1.31883641555804
Energy: 1.335965835819436
Energy: 1.2786969644537798
Energy: 1.296301928519053
Energy: 1.31883641555804
Energy: 1.335965835819436
Energy: 1.2786969644537798
Energy: 1.196257007477523
Energy: 1.2863256381337327
Energy: 1.1977509152637957
Energy: 1.2864254896312417
Energy: 1.196257007477523
Energy: 1.2863256381337327
Energy: 1.1977509152637957
Energy: 1.3125609673790046
Energy: 1.3668266061683367
Energy: 1.3126149665889326
Energy: 1.3618226393288395
Energy: 1.3125609673790046
Energy: 1.3668266061683367
Energy: 1.3126149665889326
Energy: 1.3100403231097821
Energy: 1.3155041701885264
Energy: 1.311574894426986
Energy: 1.3155041701891692
Energy: 1.3540924255407005
Energy: 1.3155041701891692
Energy: 1.3558678191400348
Energy: 1.3057082789779324
Energy: 1.3816600857363217
Energy: 1.305708278978575
Energy: 1.3994016035084496
Energy: 1.305708278978575
Energy: 1.3816600857363217
Energy: 1.305708278978575
Energy: 1.242295480314975
Energy: 1.241910561623506
Energy: 1.242295480314975
Energy: 1.241910561623506
Energy: 1.242295480314975
Energy: 1.241910561623506
Energy: 1.242295480314975
Energy: 1.2615956263674544
Energy: 1.3524263536899936
Energy: 1.2615956263674544
Energy: 1.3524263536899936
Energy: 1.2615956263674544
Energy: 1.3524263536906362
Energy: 1.2615956263674544
Energy: 1.3102436846046919
Energy: 1.3055981739277354
Energy: 1.3102436846046919
Energy: 1.3055981739277354
Energy: 1.3102436846046919
Energy: 1.3055981739277354
Energy: 1.3102436846046919
Energy: 1.1709323752789522
Energy: 1.2745021289580591
Energy: 1.170678717649565
Energy: 1.2749199035702508
Energy: 1.1709323752795948
Energy: 1.2745021289574165
Energy: 1.170678717649565
Energy: 1.1913502649040024
Energy: 1.2064249577565123
Energy: 1.1913349000450755
Energy: 1.2064036697945955
Energy: 1.1913502649040024
Energy: 1.2064249577565123
Energy: 1.191334900044433
Energy: 1.313162170536159
Energy: 1.3502107847960296
Energy: 1.313162170536159
Energy: 1.3502107847966722
Energy: 1.313162170536159
Energy: 1.3502107847966722
Energy: 1.313162170536159
Energy: 1.3746288886233826
Energy: 1.3906094425272753
Energy: 1.3681469472534662
Energy: 1.384308547972921
Energy: 1.3746288886233826
Energy: 1.3906094425272753
Energy: 1.3681469472534662
Energy: 1.2136931796913286
Energy: 1.267055840414829
Energy: 1.2136931796913286
Energy: 1.267055840414829
Energy: 1.2136931796913286
Energy: 1.267055840414829
Energy: 1.2136931796913286

minimum gb energy = 1.1688272864755034 eV
minimum distance =  2.22343496829523 Angstroms
sigma value = 39


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

Energy: 1.1941210247484557
Energy: 1.2188324011924578
Energy: 1.1941210247492144
Energy: 1.2188324011924578
Energy: 1.1941210247492144
Energy: 1.2188324011924578
Energy: 1.1941210247484557
Energy: 1.2363886284064058
Energy: 1.1230863305420495
Energy: 1.2363886284056476
Energy: 1.1230863305420495
Energy: 1.2363886284064058
Energy: 1.1230863305420495
Energy: 1.2363886284056476
Energy: 1.1869647730659192
Energy: 1.1397265912335837
Energy: 1.1869647730659192
Energy: 1.1397265912343417
Energy: 1.1869647730659192
Energy: 1.1397265912335837
Energy: 1.1869647730659192
Energy: 1.2377984736241385
Energy: 1.1370523512809105
Energy: 1.2377984736256555
Energy: 1.1370523512809105
Energy: 1.237798473622622
Energy: 1.1370523512809105
Energy: 1.237798473622622
Energy: 1.2403470817383806
Energy: 1.1230519891734214
Energy: 1.2403470817391389
Energy: 1.1230519891734214
Energy: 1.2403470817376223
Energy: 1.1230519891734214
Energy: 1.2403470817391389
Energy: 1.2403342854627901
Energy: 1.12316939224488
Energy: 1.2403342854627901
Energy: 1.1231693922456383
Energy: 1.2403342854627901
Energy: 1.1231693922456383
Energy: 1.2403342854627901
Energy: 1.2373494165357597
Energy: 1.1411001489511408
Energy: 1.2373494165357597
Energy: 1.1411001489511408
Energy: 1.2373494165304506
Energy: 1.1411001489511408
Energy: 1.237349416532726
Energy: 1.217289154559624
Energy: 1.1382748342896891
Energy: 1.217289154559624
Energy: 1.1382748342889308
Energy: 1.217289154559624
Energy: 1.1382748342904476
Energy: 1.217289154559624
Energy: 1.2624557913947052
Energy: 1.123103941751089
Energy: 1.2624557913947052
Energy: 1.1231039417503308
Energy: 1.2624557913947052
Energy: 1.1231039417503308
Energy: 1.2624557913939467
Energy: 1.1935304265002649
Energy: 1.2195522242683472
Energy: 1.1935304265002649
Energy: 1.2195522242683472
Energy: 1.1935304265010231
Energy: 1.2195522242691057
Energy: 1.1935304265002649
Energy: 1.236645922788584
Energy: 1.1392968027569366
Energy: 1.2366459227893425
Energy: 1.1392968027561783
Energy: 1.236645922788584
Energy: 1.139296802757695
Energy: 1.2834036137347908
Energy: 1.2009801153989466
Energy: 1.1382369366274632
Energy: 1.2009801153989466
Energy: 1.1382369366274632
Energy: 1.2009801153989466
Energy: 1.1382369366274632
Energy: 1.2009801153989466
Energy: 1.3056657832628937
Energy: 1.1307106518706223
Energy: 1.3056657832628937
Energy: 1.1307106518706223
Energy: 1.3056657832628937
Energy: 1.1307106518706223
Energy: 1.3056657832628937
Energy: 1.201000295430421
Energy: 1.1385079305502925
Energy: 1.201000295430421
Energy: 1.1385079305502925
Energy: 1.201000295430421
Energy: 1.1385079305502925
Energy: 1.201000295430421
Energy: 1.2345731656546626
Energy: 1.2044619152152565
Energy: 1.2345731656561794
Energy: 1.2044619152152565
Energy: 1.2345731656546626
Energy: 1.2044619152152565
Energy: 1.2345731656546626
Energy: 1.2009382435266096
Energy: 1.1384323430787717
Energy: 1.2009382435273679
Energy: 1.13843234307953
Energy: 1.2009382435266096
Energy: 1.1384323430787717
Energy: 1.2009382435273679
Energy: 1.3057185840780625
Energy: 1.130667499766002
Energy: 1.3057185840765457
Energy: 1.130667499766002
Energy: 1.3057185840765457
Energy: 1.130667499766002
Energy: 1.3057185840765457
Energy: 1.2009159817792947
Energy: 1.1382074467113452
Energy: 1.2009159817792947
Energy: 1.1382074467113452
Energy: 1.2009159817792947
Energy: 1.138207446710587
Energy: 1.2009159817785366
Energy: 1.1953328386786315
Energy: 1.1420622592892073
Energy: 1.1953328386793898
Energy: 1.1420622592876903
Energy: 1.1953328386801483
Energy: 1.1420622592892073
Energy: 1.1953328386786315
Energy: 1.193513960360621
Energy: 1.219578466181249
Energy: 1.193513960360621
Energy: 1.219578466181249
Energy: 1.193513960360621
Energy: 1.219578466181249
Energy: 1.193513960360621
Energy: 1.262853062426229
Energy: 1.1230374277460227
Energy: 1.2628530624277459
Energy: 1.1230374277460227
Energy: 1.2628530624277459
Energy: 1.1230374277460227
Energy: 1.2628530624269874
Energy: 1.21713626482796
Energy: 1.1382557038261154
Energy: 1.21713626482796
Energy: 1.1382557038268741
Energy: 1.21713626482796
Energy: 1.1382557038268741
Energy: 1.21713626482796
Energy: 1.199422088289742
Energy: 1.1415658422394432
Energy: 1.1994220882889834
Energy: 1.1415658422394432
Energy: 1.199422088288225
Energy: 1.1415658422394432
Energy: 1.199422088288225
Energy: 1.24031489334981
Energy: 1.1231573453916308
Energy: 1.2403148933505683
Energy: 1.1231573453916308
Energy: 1.24031489334981
Energy: 1.1231573453916308
Energy: 1.2403148933505683
Energy: 1.240130012513333
Energy: 1.1230485800112349
Energy: 1.24013001251485
Energy: 1.1230485800112349
Energy: 1.240130012513333
Energy: 1.1230485800112349
Energy: 1.24013001251485
Energy: 1.2370927180334326
Energy: 1.1370970654663017
Energy: 1.237092718032674
Energy: 1.1370970654663017
Energy: 1.2370927180319158
Energy: 1.1370970654655437
Energy: 1.237092718032674
Energy: 1.1870548736697204
Energy: 1.1397986011465382
Energy: 1.1870548736697204
Energy: 1.1397986011465382
Energy: 1.1870548736697204
Energy: 1.1397986011465382
Energy: 1.1870548736697204
Energy: 1.2363324779437554
Energy: 1.1230837164379308
Energy: 1.2363324779437554
Energy: 1.1230837164379308
Energy: 1.236332477942997
Energy: 1.1230837164379308
Energy: 1.2363324779445135
Energy: 1.1941210247492144
Energy: 1.2188324011924578
Energy: 1.1941210247492144
Energy: 1.2188324011916996
Energy: 1.1941210247492144
Energy: 1.2188324011924578
Energy: 1.1941210247484557
Energy: 1.2363886284064058
Energy: 1.1230863305420495
Energy: 1.2363886284056476
Energy: 1.1230863305420495
Energy: 1.2363886284064058
Energy: 1.1230863305420495
Energy: 1.2363886284064058

minimum gb energy = 1.1230374277460227 eV
minimum distance =  2.23506553830207 Angstroms
sigma value = 21


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

Energy: 1.2480108834044328
Energy: 1.2769538311782322
Energy: 1.2480108834044328
Energy: 1.2769538311782322
Energy: 1.2480108834044328
Energy: 1.2769538311782322
Energy: 1.2480108834044328
Energy: 1.1217078569743457
Energy: 1.09253826034003
Energy: 1.1217078569752663
Energy: 1.09253826034003
Energy: 1.1217078569752663
Energy: 1.09253826034003
Energy: 1.1217078569743457
Energy: 1.2611359194078395
Energy: 1.1620687945884085
Energy: 1.2611359194078395
Energy: 1.1620687945884085
Energy: 1.2611359194078395
Energy: 1.162068794589308
Energy: 1.2611359194078395
Energy: 1.1236054855304705
Energy: 1.0950492648461865
Energy: 1.1236054855304705
Energy: 1.0950492648461865
Energy: 1.1236054855313704
Energy: 1.0950492648461865
Energy: 1.1236054855313704
Energy: 1.0540436926388006
Energy: 1.138130755413682
Energy: 1.0540436926388006
Energy: 1.138130755413682
Energy: 1.0540436926378798
Energy: 1.138130755413682
Energy: 1.0540436926388006
Energy: 1.0678275736358906
Energy: 1.0987688682312509
Energy: 1.0678275736358906
Energy: 1.0987688682312509
Energy: 1.0678275736358906
Energy: 1.0987688682312509
Energy: 1.0678275736358906
Energy: 1.070694590469443
Energy: 1.156042817838649
Energy: 1.070694590469443
Energy: 1.156042817838649
Energy: 1.070694590469443
Energy: 1.156042817838649
Energy: 1.070694590469443
Energy: 1.0678394347451308
Energy: 1.0816704853005337
Energy: 1.06783943474421
Energy: 1.0816704853005337
Energy: 1.0678394347451308
Energy: 1.0816704853005337
Energy: 1.0678394347451308
Energy: 1.1153419979441948
Energy: 1.0817729808971783
Energy: 1.1153419979441948
Energy: 1.0817729808971783
Energy: 1.1153419979441948
Energy: 1.0817729808971783
Energy: 1.1153419979441948
Energy: 1.0713790626182245
Energy: 1.136068464895102
Energy: 1.0713790626182245
Energy: 1.1360684648914197
Energy: 1.0713790626182245
Energy: 1.1360684648886574
Energy: 1.0713790626182245
Energy: 1.060312755411088
Energy: 1.101392892847102
Energy: 1.0603127554120084
Energy: 1.1013928928480226
Energy: 1.0603127554120084
Energy: 1.1013928928461811
Energy: 1.0603127554120084
Energy: 1.0533511410508596
Energy: 1.1293216133038404
Energy: 1.0533511410508596
Energy: 1.1293216133038404
Energy: 1.0533511410508596
Energy: 1.1293216133038404
Energy: 1.0533511410508596
Energy: 1.1068082981186311
Energy: 1.085450168355646
Energy: 1.1068082981186311
Energy: 1.085450168355646
Energy: 1.1068082981186311
Energy: 1.085450168355646
Energy: 1.1068082981186311
Energy: 1.1631160837913548
Energy: 1.1625474515659358
Energy: 1.1631160837913548
Energy: 1.1625474515640946
Energy: 1.1631160837913548
Energy: 1.1625474515659358
Energy: 1.1631160837913548
Energy: 1.1199301319975756
Energy: 1.1005703654349372
Energy: 1.1199301319975756
Energy: 1.1005703654349372
Energy: 1.1199301319975756
Energy: 1.1005703654349372
Energy: 1.1199301319975756
Energy: 1.2388971284849066
Energy: 1.2120591461601558
Energy: 1.2388971284849066
Energy: 1.2120591461610766
Energy: 1.2388971284849066
Energy: 1.2120591461610766
Energy: 1.2388971284849066
Energy: 1.1453714605496634
Energy: 1.1058397989902513
Energy: 1.1453714605505843
Energy: 1.1058397989930133
Energy: 1.1453714605505843
Energy: 1.105839798991172
Energy: 1.1453714605505843
Energy: 1.1631334093370953
Energy: 1.162393008722847
Energy: 1.1631334093370953
Energy: 1.162393008724688
Energy: 1.1631334093370953
Energy: 1.162393008724688
Energy: 1.1631334093380161
Energy: 1.1436024760363959
Energy: 1.1006655575264823
Energy: 1.1436024760363959
Energy: 1.1006655575255617
Energy: 1.1436024760363959
Energy: 1.1006655575255617
Energy: 1.1436024760363959
Energy: 1.0533368299828918
Energy: 1.0932498114159155
Energy: 1.0533368299828918
Energy: 1.0932498114159155
Energy: 1.0533368299828918
Energy: 1.0932498114159155
Energy: 1.0533368299828918
Energy: 1.1053630277596018
Energy: 1.1705811589301753
Energy: 1.1053630277596018
Energy: 1.1705811589301753
Energy: 1.1053630277596018
Energy: 1.1705811589301753
Energy: 1.1053630277596018
Energy: 1.0748690821814126
Energy: 1.1566829815696704
Energy: 1.0748690821814126
Energy: 1.1566829815696704
Energy: 1.0748690821814126
Energy: 1.1566829815696704
Energy: 1.0748690821814126
Energy: 1.1008845372881795
Energy: 1.1006497586332833
Energy: 1.1008845372881795
Energy: 1.1006497586332833
Energy: 1.1008845372881795
Energy: 1.1006497586332833
Energy: 1.1008845372881795
Energy: 1.1177508164371737
Energy: 1.0921923552325867
Energy: 1.1177508164371737
Energy: 1.0921923552325867
Energy: 1.1177508164371737
Energy: 1.0921923552325867
Energy: 1.1177508164371737
Energy: 1.1008836162220599
Energy: 1.155947513766189
Energy: 1.1008836162220599
Energy: 1.155947513766189
Energy: 1.1008836162220599
Energy: 1.155947513766189
Energy: 1.1008836162220599

minimum gb energy = 1.0533368299828918 eV
minimum distance =  2.28116261130582 Angstroms
sigma value = 113


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

Energy: 1.052427443850588
Energy: 1.1025103668233562
Energy: 1.052427443850588
Energy: 1.1025103668279341
Energy: 1.0524274438516157
Energy: 1.10251036682387
Energy: 1.0524274438511019
Energy: 1.0150014876440001
Energy: 0.957049718751729
Energy: 1.0150014876440001
Energy: 0.957049718751729
Energy: 1.0150014876445141
Energy: 0.957049718751215
Energy: 1.0150014876440001
Energy: 1.0285189704913669
Energy: 0.9936293294004449
Energy: 1.0285189704913669
Energy: 0.9936293294019863
Energy: 1.0285189704918805
Energy: 0.9936293294019863
Energy: 1.0285189704918805
Energy: 0.9720273333105572
Energy: 0.9709937062211745
Energy: 0.9720273333110709
Energy: 0.9709937062216885
Energy: 0.9720273333105572
Energy: 0.9709937062211745
Energy: 0.9720273333105572
Energy: 0.9897668364035627
Energy: 1.0279029746566033
Energy: 0.9897668364035627
Energy: 1.0279029746709905
Energy: 0.989766836402535
Energy: 1.027902974657117
Energy: 0.9897668364030487
Energy: 0.9650589471982163
Energy: 0.9558477047055883
Energy: 0.9650589471982163
Energy: 0.9558477047061021
Energy: 0.9650589471982163
Energy: 0.9558477047050745
Energy: 0.9650589471977026
Energy: 0.9805159465725051
Energy: 0.9810090626344526
Energy: 0.9805159465725051
Energy: 0.9810090626303419
Energy: 0.9805159465719913
Energy: 0.9810090626308557
Energy: 0.9805159465725051
Energy: 0.9680485782628456
Energy: 0.9391568530049051
Energy: 0.9680485782623318
Energy: 0.9391568530054192
Energy: 0.9680485782628456
Energy: 0.9391568530054192
Energy: 0.9680485782623318
Energy: 0.9601951315281987
Energy: 0.9720708768984605
Energy: 0.9601951315292265
Energy: 0.9720708768969191
Energy: 0.960195131527685
Energy: 0.9720708768974329
Energy: 0.960195131530768
Energy: 0.9728050129588692
Energy: 0.9223794508365825
Energy: 0.972805012959383
Energy: 0.9223794508365825
Energy: 0.972805012959383
Energy: 0.9223794508370963
Energy: 0.972805012959383
Energy: 0.9519198468901787
Energy: 0.9390639331430178
Energy: 0.9519198468901787
Energy: 0.9390639331435316
Energy: 0.9519198468896649
Energy: 0.9390639331430178
Energy: 0.9519198468901787
Energy: 0.9868866631370512
Energy: 0.9508665927201123
Energy: 0.9868866631365374
Energy: 0.9508665927201123
Energy: 0.9868866631360236
Energy: 0.9508665927201123
Energy: 0.9868866631360236
Energy: 0.9015538551203233
Energy: 0.9879581277270909
Energy: 0.9015538551208372
Energy: 0.9879581277286325
Energy: 0.9015538551208372
Energy: 0.9879581277276048
Energy: 0.9015538551203233
Energy: 0.9537441512137045
Energy: 0.921053016907555
Energy: 0.9537441512137045
Energy: 0.9210530169044723
Energy: 0.9537441512137045
Energy: 0.9210530169085827
Energy: 0.9537441512131906
Energy: 0.9409250867845865
Energy: 0.9123920558486938
Energy: 0.9409250867845865
Energy: 0.9123920558466385
Energy: 0.9409250867845865
Energy: 0.9123920558461247
Energy: 0.9409250867845865
Energy: 1.006662092090519
Energy: 0.9901891924565012
Energy: 1.0066620920915466
Energy: 0.9901891924534182
Energy: 1.0066620920910327
Energy: 0.9901891924559874
Energy: 1.0066620920915466
Energy: 0.9010203275717571
Energy: 0.9205643406706372
Energy: 0.9010203275722709
Energy: 0.920564340671151
Energy: 0.9010203275697017
Energy: 0.920564340671151
Energy: 0.9010203275686742
Energy: 0.9651005938857528
Energy: 0.9367214800377095
Energy: 0.9651005938862668
Energy: 0.9367214800377095
Energy: 0.9651005938862668
Energy: 0.9367214800377095
Energy: 0.9651005938867805
Energy: 0.9544170791421792
Energy: 0.9148400969783987
Energy: 0.954417079142693
Energy: 0.9148400969778849
Energy: 0.954417079142693
Energy: 0.9148400969778849
Energy: 0.9544170791416652
Energy: 0.9599877297408625
Energy: 0.9980142425806833
Energy: 0.9599877297403488
Energy: 0.9980142425811972
Energy: 0.9599877297408625
Energy: 0.9980142425806833
Energy: 0.9599877297403488
Energy: 0.9554151778021521
Energy: 0.9204312327041275
Energy: 0.9554151778067766
Energy: 0.9204312327041275
Energy: 0.9554151778026659
Energy: 0.9204312327041275
Energy: 0.9554151778057488
Energy: 0.9865028355859642
Energy: 0.9565723624370343
Energy: 0.9865028355859642
Energy: 0.9565723624375482
Energy: 0.9865028355859642
Energy: 0.9565723624370343
Energy: 0.9865028355859642
Energy: 0.9597279269787671
Energy: 0.9744856769351616
Energy: 0.9597279269772255
Energy: 0.9744856769356753
Energy: 0.9597279269772255
Energy: 0.9744856769361893
Energy: 0.9597279269772255
Energy: 0.9623434680801238
Energy: 1.0239040100415613
Energy: 0.9623434680796101
Energy: 1.0239040100482413
Energy: 0.9623434680790962
Energy: 1.0239040100507635
Energy: 0.9623434680801238
Energy: 0.9446397748924317
Energy: 0.9682597828508545
Energy: 0.9446397748965423
Energy: 0.9682597828503406
Energy: 0.9446397748955144
Energy: 0.9682597828503406
Energy: 0.9446397748903762
Energy: 1.0199135366185195
Energy: 0.9644344485359203
Energy: 1.0199135366174918
Energy: 0.9644344485354065
Energy: 1.019913536619033
Energy: 0.964434448533865
Energy: 1.019913536619547
Energy: 1.0189871387861862
Energy: 0.9568649274203964
Energy: 1.0189871387856724
Energy: 0.9568649274101197
Energy: 1.0189871387856724
Energy: 0.9568649274178272
Energy: 1.0189871387856724
Energy: 1.0413409082457812
Energy: 1.0679247194493768
Energy: 1.041340908245267
Energy: 1.0679247195058987
Energy: 1.041340908245267
Energy: 1.0679247196209505
Energy: 1.041340908245267
Energy: 1.077627241361667
Energy: 0.9576948976833691
Energy: 1.0776272413847894
Energy: 0.9576948976838829
Energy: 1.077627241373999
Energy: 0.9576948976833691
Energy: 1.0776272413606396
Energy: 1.009573026905741
Energy: 0.964322608629287
Energy: 1.0095730269062548
Energy: 0.9643226086287731
Energy: 1.0095730269077963
Energy: 0.9643226086287731
Energy: 1.0095730269072825
Energy: 0.9771921076066021
Energy: 1.112936848719027
Energy: 0.9771921076060884
Energy: 1.1129368487195408
Energy: 0.9771921076066021
Energy: 1.1129368487185132
Energy: 0.9771921076066021
Energy: 0.9632825307173896
Energy: 0.9978358720908789
Energy: 0.9632825307158482
Energy: 0.997835871981993
Energy: 0.9632825307148204
Energy: 0.9978358719470523
Energy: 0.9632825307148204
Energy: 1.0403660423369832
Energy: 0.9550177568861278
Energy: 1.0403660423359553
Energy: 0.9550177568851003
Energy: 1.0403660423359553
Energy: 0.955017756885614
Energy: 1.040366042337497
Energy: 0.9717042702799684
Energy: 0.9626348233857664
Energy: 0.9717042702794545
Energy: 0.9626348233857664
Energy: 0.9717042702799684
Energy: 0.9626348233852527
Energy: 0.9717042702794545
Energy: 0.9702284175458228
Energy: 1.0583846304642348
Energy: 0.9702284175458228
Energy: 1.058384630463721
Energy: 0.9702284175463368
Energy: 1.058384630463721
Energy: 0.9702284175458228
Energy: 0.9347594135524518
Energy: 0.99017187446589
Energy: 0.9347594135529657
Energy: 0.99017187446589
Energy: 0.9347594135539934
Energy: 0.9901718744664036
Energy: 0.9347594135529657
Energy: 0.9405167004993561
Energy: 0.9211460658991418
Energy: 0.9405167004993561
Energy: 0.9211460658991418
Energy: 0.9405167004983285
Energy: 0.9211460658991418
Energy: 0.9405167004993561
Energy: 0.9605407851432507
Energy: 0.9180555210257038
Energy: 0.9605407851427368
Energy: 0.918055521024676
Energy: 0.9605407851427368
Energy: 0.9180555210257038
Energy: 0.9605407851427368
Energy: 0.947316258123596
Energy: 0.9693609212862158
Energy: 0.9473162581241098
Energy: 0.9693609212862158
Energy: 0.947316258123596
Energy: 0.9693609212857021
Energy: 0.9473162581241098
Energy: 0.9013756993628708
Energy: 1.0021533821814148
Energy: 0.901375699362357
Energy: 1.0021533821865531
Energy: 0.9013756993628708
Energy: 1.0021533821803872
Energy: 0.9013756993628708
Energy: 0.9405868505749134
Energy: 0.9199329165513493
Energy: 0.9405868505749134
Energy: 0.9199329165503215
Energy: 0.9405868505749134
Energy: 0.9199329165513493
Energy: 0.9405868505749134
Energy: 0.9454316326943492
Energy: 0.9125309965787796
Energy: 0.9454316326943492
Energy: 0.9125309965787796
Energy: 0.9454316326938355
Energy: 0.9125309965787796
Energy: 0.9454316326933216
Energy: 0.9333018138567277
Energy: 0.9881156944160243
Energy: 0.9333018138582694
Energy: 0.9881156944134551
Energy: 0.9333018138582694
Energy: 0.9881156944124274
Energy: 0.9333018138572416
Energy: 0.9021983971855405
Energy: 0.9195890613695756
Energy: 0.9021983971860543
Energy: 0.9195890613700896
Energy: 0.9021983971850266
Energy: 0.9195890613700896
Energy: 0.9021983971865681
Energy: 0.9322124579009643
Energy: 0.9342903755361343
Energy: 0.9322124579009643
Energy: 0.9342903755356206
Energy: 0.9322124579009643
Energy: 0.9342903755361343
Energy: 0.9322124579009643

minimum gb energy = 0.9010203275686742 eV
minimum distance =  2.26929403901799 Angstroms
sigma value = 365


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

Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 2.5860761184393484
Energy: 1.060680811221464
Energy: 2.5860701185418233
Energy: 1.060680811223781
Energy: 2.586068143900002
Energy: 1.060680811221464
Energy: 2.5860638359840036
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 2.5860805411374503
Energy: 1.060680811221464
Energy: 2.58608751809786
Energy: 1.060680811221464
Energy: 2.586086775160496
Energy: 1.060680811221464
Energy: 2.5860864138878856
Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 1.9293537383183035
Energy: 1.0606808112226225
Energy: 1.92935434395649
Energy: 1.060680811221464
Energy: 1.9293545789157638
Energy: 1.060680811221464
Energy: 1.9293544262419684
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 1.9293545482209524
Energy: 1.060680811221464
Energy: 1.929354931622723
Energy: 1.060680811221464
Energy: 1.9293551937113065
Energy: 1.060680811221464
Energy: 1.929355266336849
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 1.929353168970311
Energy: 1.060680811221464
Energy: 1.9293532584098316
Energy: 1.060680811221464
Energy: 1.9293536663389153
Energy: 1.060680811221464
Energy: 1.929353716295699
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 1.8959647598409488
Energy: 1.060680811221464
Energy: 1.8959688462419368
Energy: 1.060680811221464
Energy: 1.8959703350498354
Energy: 1.060680811221464
Energy: 1.8959759896955486
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 1.8959808925140236
Energy: 1.060680811221464
Energy: 1.895981849476523
Energy: 1.060680811221464
Energy: 1.8959825513203579
Energy: 1.060680811221464
Energy: 1.8959880549030679
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 1.895963191313654
Energy: 1.060680811221464
Energy: 1.895966680565672
Energy: 1.060680811221464
Energy: 1.8959676387903859
Energy: 1.060680811221464
Energy: 1.8959675275297347
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248590053
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 1.8959910286326693
Energy: 1.060680811221464
Energy: 1.895991232394552
Energy: 1.060680811221464
Energy: 1.8959961693817924
Energy: 1.060680811221464
Energy: 1.8959955875969867
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 0.32256922248474207
Energy: 0.39984155307503205
Energy: 1.895993776113408
Energy: 1.060680811221464
Energy: 1.8959981821573006
Energy: 1.060680811221464
Energy: 1.8959998941199392
Energy: 1.060680811221464
Energy: 1.895999803323233

minimum gb energy = 0.32256922248474207 eV
minimum distance =  2.2554273057675 Angstroms
sigma value = 23