Model name: model_name=Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_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=2.850997872650624
cohesive_energy=4.280336178503186
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: 0.016285155815398272
Energy: 0.4351259622746432
Energy: 0.016285155815398272
Energy: 0.4351259622746432
Energy: 0.016285155815398272
Energy: 0.4351259622746432
Energy: 0.016285155815398272
Energy: 0.01675765590327074
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.4215694110244525
Energy: 0.5473943061570363
Energy: 0.4215694110244525
Energy: 0.5473943061570363
Energy: 0.4215694110244525
Energy: 0.5473943061570363
Energy: 0.4215694110244525
Energy: 0.01675765590327074
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.016285155815398272
Energy: 0.43512596227423156
Energy: 0.016285155815398272
Energy: 0.4351259622746432
Energy: 0.016285155815398272
Energy: 0.4351259622746432
Energy: 0.016285155815398272
Energy: 0.016757655902904796
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.6714208993501224
Energy: 0.016757655902904796
Energy: 0.6714208993501224
Energy: 0.016757655902904796

minimum gb energy = 0.016285155815398272 eV
minimum distance =  2.46582054039752 Angstroms
sigma value = 5


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

Energy: 1.3297368732117483
Energy: 1.7133314265157846
Energy: 1.3297368732117483
Energy: 1.7133314265157846
Energy: 1.3297368732117483
Energy: 1.7133314265152926
Energy: 1.32973687321224
Energy: 1.3217708656363212
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Energy: 1.3217708656363212
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Energy: 1.3869423990322525
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Energy: 1.3660379185308937
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Energy: 1.304170940378025
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Energy: 1.2423332025428584
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Energy: 1.343483521506467
Energy: 1.2780784665704263
Energy: 1.3705074052597521
Energy: 1.3117176292588615
Energy: 1.37050740525926
Energy: 1.3117176292588615
Energy: 1.3705074052597521
Energy: 1.3117176292588615
Energy: 1.37050740525926
Energy: 1.2836212689047073
Energy: 1.2715982273325512
Energy: 1.2836212689047073
Energy: 1.271598227333043
Energy: 1.2836212689051991
Energy: 1.2715982273325512
Energy: 1.2836212689047073
Energy: 1.299927601590472
Energy: 1.3570935613521913
Energy: 1.299927601590472
Energy: 1.3570935613526833
Energy: 1.2999276015899799
Energy: 1.3570935613521913
Energy: 1.2999276015899799
Energy: 1.2675450937412949
Energy: 1.2828036391399689
Energy: 1.2675450937422785
Energy: 1.2828036391399689
Energy: 1.2675450937422785
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Energy: 1.2675450937417867
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Energy: 1.2882086794184766
Energy: 1.2545274133586455
Energy: 1.2882086794189684
Energy: 1.2545274133581539
Energy: 1.2882086794179848
Energy: 1.2545274133586455

minimum gb energy = 1.1969852859092132 eV
minimum distance =  2.31366531681575 Angstroms
sigma value = 401


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

Energy: 1.4185206476334802
Energy: 1.3435771091358395
Energy: 1.3261213602522242
Energy: 1.3435771091358395
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Energy: 1.3605186657210342
Energy: 1.3249647835471914
Energy: 1.3934747447368963
Energy: 1.3236818022293058
Energy: 1.3933921605719797
Energy: 1.3249647835471914
Energy: 1.3934747447368963
Energy: 1.3236818022287475
Energy: 1.3068360429979158
Energy: 1.3945808939094597
Energy: 1.306879880561243
Energy: 1.394580893910018
Energy: 1.3068360429973573
Energy: 1.3945808939089015
Energy: 1.306879880561243
Energy: 1.287128745634505
Energy: 1.4108296444291328
Energy: 1.2872161775262059
Energy: 1.4108296444285746
Energy: 1.2871287456339466
Energy: 1.4108296444291328
Energy: 1.2872161775262059
Energy: 1.268197559329879
Energy: 1.327902076464835
Energy: 1.268197559329879
Energy: 1.327902076465393
Energy: 1.268197559329879
Energy: 1.327902076465393
Energy: 1.268197559329879
Energy: 1.2188092776211608
Energy: 1.3427403969960396
Energy: 1.2188092776211608
Energy: 1.342740397020601
Energy: 1.2188092776211608
Energy: 1.3427403970150191
Energy: 1.2188092776211608
Energy: 1.326121360251666
Energy: 1.3435771091352813
Energy: 1.3261213602522242
Energy: 1.3435771091358395
Energy: 1.3261213602527824
Energy: 1.3435771091358395
Energy: 1.3261213602511077
Energy: 1.218842439663029
Energy: 1.3519939346165228
Energy: 1.218842439662471
Energy: 1.3515552979612693
Energy: 1.218842439663029
Energy: 1.3519939346154064
Energy: 1.218842439662471

minimum gb energy = 1.2188092776211608 eV
minimum distance =  2.33441501090678 Angstroms
sigma value = 311


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

Energy: 1.3005241572469057
Energy: 1.3287510227567303
Energy: 1.3005241572469057
Energy: 1.3287510227573749
Energy: 1.3005241572469057
Energy: 1.3287510227573749
Energy: 1.3005241572469057
Energy: 1.3215237281362529
Energy: 1.2639912712604058
Energy: 1.3215237281356083
Energy: 1.2639912712604058
Energy: 1.3215237281362529
Energy: 1.2639912712604058
Energy: 1.3215237281362529
Energy: 1.3120562181849174
Energy: 1.3498544479310768
Energy: 1.3120562181849174
Energy: 1.3498544479317214
Energy: 1.3120562181849174
Energy: 1.3498544479310768
Energy: 1.3120562181849174
Energy: 1.4384551061055062
Energy: 1.358413824804076
Energy: 1.4384551061055062
Energy: 1.3584138248047204
Energy: 1.4384551061055062
Energy: 1.358413824804076
Energy: 1.4384551061055062
Energy: 1.4263981111038506
Energy: 1.3457526855999926
Energy: 1.4263981111038506
Energy: 1.3457526855999926
Energy: 1.4263981111038506
Energy: 1.3457526855999926
Energy: 1.4263981111038506
Energy: 1.2395227481631992
Energy: 1.3866036474064445
Energy: 1.2395227481631992
Energy: 1.3866036474057999
Energy: 1.2395227481631992
Energy: 1.3866036474064445
Energy: 1.2395227481631992
Energy: 1.228049039221821
Energy: 1.4094533149544979
Energy: 1.228049039221821
Energy: 1.4094533149538533
Energy: 1.228049039221821
Energy: 1.4094533149544979
Energy: 1.228049039221821
Energy: 1.3552127271103984
Energy: 1.3480154574793746
Energy: 1.3552127271103984
Energy: 1.3480154574793746
Energy: 1.3552127271103984
Energy: 1.3480154574793746
Energy: 1.3552127271103984
Energy: 1.3307380002215643
Energy: 1.347572351924769
Energy: 1.3307380002215643
Energy: 1.3475723519241245
Energy: 1.3307380002215643
Energy: 1.347572351924769
Energy: 1.33073800022092
Energy: 1.3530569161933348
Energy: 1.4463660717512885
Energy: 1.3530569161933348
Energy: 1.4463660717512885
Energy: 1.3530569161933348
Energy: 1.4463660717512885
Energy: 1.3530569161933348
Energy: 1.3179978021663117
Energy: 1.471336251480306
Energy: 1.3179978021663117
Energy: 1.471336251480306
Energy: 1.3179978021663117
Energy: 1.4713362514796615
Energy: 1.3179978021663117
Energy: 1.3532804933844937
Energy: 1.4064932438870383
Energy: 1.3532804933844937
Energy: 1.4064932438870383
Energy: 1.3532804933851381
Energy: 1.4064932438863935
Energy: 1.3532804933844937
Energy: 1.3215474916137515
Energy: 1.3051208208817289
Energy: 1.3215474916137515
Energy: 1.3051208208817289
Energy: 1.3215474916137515
Energy: 1.3051208208817289
Energy: 1.3215474916137515
Energy: 1.2247161785402065
Energy: 1.242319030864351
Energy: 1.2247161785402065
Energy: 1.242319030864351
Energy: 1.2247161785402065
Energy: 1.242319030864351
Energy: 1.2247161785402065
Energy: 1.32056554289431
Energy: 1.420111403528873
Energy: 1.32056554289431
Energy: 1.420111403528873
Energy: 1.32056554289431
Energy: 1.420111403528873
Energy: 1.32056554289431
Energy: 1.3011702972502122
Energy: 1.3322677237490628
Energy: 1.3011702972502122
Energy: 1.3322677237490628
Energy: 1.3011702972502122
Energy: 1.3322677237490628
Energy: 1.3011702972502122
Energy: 1.359514927878485
Energy: 1.3293959278568064
Energy: 1.359514927878485
Energy: 1.3293959278568064
Energy: 1.359514927878485
Energy: 1.3293959278568064
Energy: 1.359514927878485
Energy: 1.339981198283493
Energy: 1.3312893964903296
Energy: 1.339981198283493
Energy: 1.3312893964903296
Energy: 1.339981198283493
Energy: 1.3312893964903296
Energy: 1.339981198283493
Energy: 1.4423176234505528
Energy: 1.417366898330063
Energy: 1.4423176234505528
Energy: 1.4173668983307075
Energy: 1.4808484488205245
Energy: 1.417366898330063
Energy: 1.4506567929448055
Energy: 1.365361789128297
Energy: 1.4650919609829585
Energy: 1.365361789128297
Energy: 1.4650919609829585
Energy: 1.365361789128297
Energy: 1.4650919609829585
Energy: 1.3653617891276524
Energy: 1.2391444662375406
Energy: 1.2445374195616992
Energy: 1.2391444662375406
Energy: 1.2445374195616992
Energy: 1.2391444662375406
Energy: 1.2445374195616992
Energy: 1.2391444662375406
Energy: 1.2447714742834388
Energy: 1.4022229407591718
Energy: 1.2447714742834388
Energy: 1.4022229407591718
Energy: 1.2447714742840834
Energy: 1.4022229407591718
Energy: 1.2447714742840834
Energy: 1.359917596466827
Energy: 1.3329611113239517
Energy: 1.359917596466827
Energy: 1.3329611113239517
Energy: 1.359917596466827
Energy: 1.3329611113239517
Energy: 1.359917596466827
Energy: 1.340759195678563
Energy: 1.3905479657969808
Energy: 1.340759195678563
Energy: 1.3905479657969808
Energy: 1.3407591956792075
Energy: 1.3905479657969808
Energy: 1.3407591956792075
Energy: 1.3186028694504517
Energy: 1.2991486788594282
Energy: 1.3186028694504517
Energy: 1.2991486788594282
Energy: 1.3186028694504517
Energy: 1.2991486788594282
Energy: 1.3186028694504517
Energy: 1.4502042837761042
Energy: 1.4414781748745218
Energy: 1.4502042837761042
Energy: 1.4414781748745218
Energy: 1.4502042837761042
Energy: 1.4414781748745218
Energy: 1.4502042837761042
Energy: 1.3371762821459576
Energy: 1.3625420359255933
Energy: 1.3371762821459576
Energy: 1.362542035926238
Energy: 1.3371762821459576
Energy: 1.362542035926238
Energy: 1.3371762821459576
Energy: 1.3150864402767317
Energy: 1.4158501610933814
Energy: 1.3150864402767317
Energy: 1.4158501610933814
Energy: 1.3150864402767317
Energy: 1.4158501610933814
Energy: 1.3150864402767317
Energy: 1.2281625651419656
Energy: 1.2197489322099069
Energy: 1.2281625651419656
Energy: 1.2197489322099069
Energy: 1.2281625651419656
Energy: 1.2197489322099069
Energy: 1.2281625651419656
Energy: 1.340724411421585
Energy: 1.4202621361683858
Energy: 1.340724411421585
Energy: 1.4202621361690304
Energy: 1.340724411421585
Energy: 1.420262136169675
Energy: 1.340724411421585
Energy: 1.31815441032882
Energy: 1.333031155028809
Energy: 1.31815441032882
Energy: 1.333031155028809
Energy: 1.31815441032882
Energy: 1.333031155028809
Energy: 1.31815441032882
Energy: 1.3254009342865323
Energy: 1.4733665858514984
Energy: 1.3254009342865323
Energy: 1.4733665858514984
Energy: 1.3254009342871769
Energy: 1.473366585852143
Energy: 1.3254009342865323
Energy: 1.3184450061299273
Energy: 1.3644836483235878
Energy: 1.3184450061299273
Energy: 1.3644836483235878
Energy: 1.3184450061299273
Energy: 1.3644836483235878
Energy: 1.3184450061299273
Energy: 1.3263769057558303
Energy: 1.3996061289705344
Energy: 1.3263769057558303
Energy: 1.3996061289705344
Energy: 1.3263769057558303
Energy: 1.3996061289705344
Energy: 1.3263769057558303
Energy: 1.4438821764522125
Energy: 1.4520019226640588
Energy: 1.4438821764522125
Energy: 1.4520019226640588
Energy: 1.4438821764522125
Energy: 1.4520019226640588
Energy: 1.443882176451568
Energy: 1.2247342986827745
Energy: 1.2508161579020638
Energy: 1.224734298683419
Energy: 1.2508161579020638
Energy: 1.224734298683419
Energy: 1.2508161579020638
Energy: 1.224734298683419

minimum gb energy = 1.2197489322099069 eV
minimum distance =  2.30942919230315 Angstroms
sigma value = 39


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

Energy: 1.2848680876624858
Energy: 1.3170538641564018
Energy: 1.2848680876624858
Energy: 1.3170538641564018
Energy: 1.2848680876624858
Energy: 1.3170538641564018
Energy: 1.2848680876624858
Energy: 1.3393866962018308
Energy: 1.1449558324007572
Energy: 1.3393866962018308
Energy: 1.1449558324007572
Energy: 1.3393866962018308
Energy: 1.1449558324007572
Energy: 1.33938669620107
Energy: 1.2374133390833433
Energy: 1.2377395841332748
Energy: 1.237413339084104
Energy: 1.237739584132549
Energy: 1.237413339084104
Energy: 1.237739584132549
Energy: 1.2374133390833433
Energy: 1.3340500829801174
Energy: 1.1041969324409329
Energy: 1.3340500829801174
Energy: 1.1041969324401724
Energy: 1.3340500829801174
Energy: 1.1041969324409329
Energy: 1.3340500829801174
Energy: 1.3813843309971996
Energy: 1.1887348007277512
Energy: 1.3813843309971996
Energy: 1.1887348007277512
Energy: 1.3813843309971996
Energy: 1.1887348007277512
Energy: 1.3813843309971996
Energy: 1.3708323064793542
Energy: 1.1879961769887661
Energy: 1.3708323064793542
Energy: 1.1879961769887661
Energy: 1.3708323064793542
Energy: 1.1879961769887661
Energy: 1.3708323064793542
Energy: 1.3340522673325135
Energy: 1.233086696576846
Energy: 1.399461162338076
Energy: 1.233086696576846
Energy: 1.4554792375783416
Energy: 1.233086696576846
Energy: 1.2656062566027975
Energy: 1.2363877597769213
Energy: 1.1698561840956418
Energy: 1.2363877597761606
Energy: 1.1698561840956418
Energy: 1.2363877597769213
Energy: 1.1698561840956418
Energy: 1.2363877597769213
Energy: 1.3923293136817187
Energy: 1.1469165504880325
Energy: 1.3923293136817187
Energy: 1.1469165504872718
Energy: 1.3923293136817187
Energy: 1.1469165504880325
Energy: 1.3923293136817187
Energy: 1.2037429751915885
Energy: 1.2954608633680251
Energy: 1.203742975190828
Energy: 1.2954608633680251
Energy: 1.203742975190828
Energy: 1.2954608633687859
Energy: 1.2037429751915885
Energy: 1.2657740944187295
Energy: 1.2187407970294115
Energy: 1.2657740944187295
Energy: 1.2187407970286508
Energy: 1.2657740944187295
Energy: 1.2187407970286508
Energy: 1.2657740944187295
Energy: 1.236786797523413
Energy: 1.169857553061825
Energy: 1.2367867975226523
Energy: 1.169857553061825
Energy: 1.2367867975226523
Energy: 1.169857553061825
Energy: 1.2367867975226523
Energy: 1.3546190079446827
Energy: 1.105022432993998
Energy: 1.3546190079446827
Energy: 1.105022432993998
Energy: 1.3546190079446827
Energy: 1.105022432993998
Energy: 1.3546190079446827
Energy: 1.204083446654088
Energy: 1.2132885682237147
Energy: 1.204083446654088
Energy: 1.2132885682237147
Energy: 1.204083446654088
Energy: 1.2132885682237147
Energy: 1.2040834466548487
Energy: 1.262290671400336
Energy: 1.1586478481434792
Energy: 1.262290671400336
Energy: 1.1586478481434792
Energy: 1.262290671400336
Energy: 1.1586478481434792
Energy: 1.2904542636501732
Energy: 1.203883895125018
Energy: 1.213349309753747
Energy: 1.203883895125018
Energy: 1.2133493097529864
Energy: 1.203883895125018
Energy: 1.2133493097529864
Energy: 1.203883895125018
Energy: 1.3544142349897406
Energy: 1.105056290736378
Energy: 1.3544142349897406
Energy: 1.105056290736378
Energy: 1.3544142349889796
Energy: 1.105056290736378
Energy: 1.3544142349897406
Energy: 1.2367095481847543
Energy: 1.169659511256637
Energy: 1.2367095481847543
Energy: 1.169659511256637
Energy: 1.2367095481847543
Energy: 1.169659511256637
Energy: 1.2367095481847543
Energy: 1.333774798536741
Energy: 1.2187504943103398
Energy: 1.333774798536741
Energy: 1.218750494309579
Energy: 1.333774798536741
Energy: 1.218750494309579
Energy: 1.3337747985359802
Energy: 1.203973830128407
Energy: 1.2943486633356982
Energy: 1.203973830128407
Energy: 1.2943486633356982
Energy: 1.203973830128407
Energy: 1.2943486633349375
Energy: 1.203973830128407
Energy: 1.392372545162424
Energy: 1.1468767595936755
Energy: 1.392372545162424
Energy: 1.1468767595936755
Energy: 1.392372545162424
Energy: 1.1468767595936755
Energy: 1.392372545162424
Energy: 1.236429800104202
Energy: 1.1697155776699986
Energy: 1.2364298001049625
Energy: 1.1697155776699986
Energy: 1.236429800104202
Energy: 1.1697155776699986
Energy: 1.236429800104202
Energy: 1.333532119565705
Energy: 1.2329221344162173
Energy: 1.3335321195664658
Energy: 1.2329221344162173
Energy: 1.3335321195664658
Energy: 1.2329221344162173
Energy: 1.3335321195664658
Energy: 1.370673650172174
Energy: 1.1883474761537907
Energy: 1.3706736501714132
Energy: 1.1883474761537907
Energy: 1.3706736501714132
Energy: 1.1883474761537907
Energy: 1.370673650172174
Energy: 1.3812234273884993
Energy: 1.188713111827818
Energy: 1.3812234273884993
Energy: 1.188713111827818
Energy: 1.3812234273884993
Energy: 1.188713111827818
Energy: 1.3812234273877386
Energy: 1.3340462043518133
Energy: 1.1043554591665559
Energy: 1.3340462043518133
Energy: 1.1043554591673164
Energy: 1.3340462043518133
Energy: 1.1043554591665559
Energy: 1.3340462043518133
Energy: 1.2374396496153417
Energy: 1.2377952663353455
Energy: 1.2374396496153417
Energy: 1.2377952663361063
Energy: 1.2374396496153417
Energy: 1.2377952663361063
Energy: 1.2374396496153417
Energy: 1.3395025927179802
Energy: 1.1449667641876307
Energy: 1.3395025927172197
Energy: 1.1449667641876307
Energy: 1.3395025927179802
Energy: 1.1449667641868702
Energy: 1.3395025927172197
Energy: 1.2848680876624858
Energy: 1.3170538641564018
Energy: 1.2848680876624858
Energy: 1.3170538641564018
Energy: 1.2848680876624858
Energy: 1.3170538641564018
Energy: 1.2848680876624858
Energy: 1.3393866962018308
Energy: 1.1449558324007572
Energy: 1.3393866962018308
Energy: 1.1449558324014832
Energy: 1.3393866962018308
Energy: 1.1449558324007572
Energy: 1.3393866962018308

minimum gb energy = 1.1041969324401724 eV
minimum distance =  2.29690058072749 Angstroms
sigma value = 21


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

Energy: 1.2778982635128713
Energy: 1.3855978269976874
Energy: 1.2778982635128713
Energy: 1.3855978269976874
Energy: 1.2778982635128713
Energy: 1.3855978269976874
Energy: 1.2778982635128713
Energy: 1.2007087054446028
Energy: 1.1131941131115999
Energy: 1.2007087054446028
Energy: 1.1131941131115999
Energy: 1.2007087054446028
Energy: 1.1131941131115999
Energy: 1.2007087054446028
Energy: 1.1760043963044018
Energy: 1.7031797319664659
Energy: 1.1760043963044018
Energy: 1.7031797319664659
Energy: 1.1760043963034783
Energy: 1.7031797319664659
Energy: 1.1760043963034783
Energy: 1.122978783289907
Energy: 1.1178786365708577
Energy: 1.122978783289907
Energy: 1.1178786365708577
Energy: 1.122978783289907
Energy: 1.1178786365708577
Energy: 1.122978783289907
Energy: 1.1329936123357403
Energy: 1.1222363033134057
Energy: 1.1329936123357403
Energy: 1.1222363033143292
Energy: 1.1329936123357403
Energy: 1.1222363033134057
Energy: 1.1329936123357403
Energy: 1.1277983305372896
Energy: 1.1263163458998573
Energy: 1.1277983305372896
Energy: 1.1263163458998573
Energy: 1.1277983305372896
Energy: 1.126316345900781
Energy: 1.1277983305372896
Energy: 1.1282887137085134
Energy: 1.6255470475046399
Energy: 1.1282887137085134
Energy: 1.6255470475046399
Energy: 1.1282887137085134
Energy: 1.6255470475046399
Energy: 1.1282887137085134
Energy: 1.0881509527153077
Energy: 1.128586648265247
Energy: 1.0881509527153077
Energy: 1.128586648265247
Energy: 1.0881509527153077
Energy: 1.128586648265247
Energy: 1.0881509527153077
Energy: 1.1783055710612136
Energy: 1.127978231982678
Energy: 1.1783055710612136
Energy: 1.127978231982678
Energy: 1.178305571062137
Energy: 1.127978231982678
Energy: 1.1783055710612136
Energy: 1.1502394713615185
Energy: 1.454526933781371
Energy: 1.1502394713615185
Energy: 1.454526933781371
Energy: 1.1502394713615185
Energy: 1.4545269337822944
Energy: 1.1502394713615185
Energy: 1.1158339318597528
Energy: 1.1219097516079197
Energy: 1.1158339318597528
Energy: 1.1219097516079197
Energy: 1.1158339318597528
Energy: 1.1219097516079197
Energy: 1.1158339318597528
Energy: 1.098109362001463
Energy: 1.1483520210090488
Energy: 1.098109362001463
Energy: 1.1483520210090488
Energy: 1.098109362001463
Energy: 1.1483520210090488
Energy: 1.098109362001463
Energy: 1.1597326928059888
Energy: 1.127733833981047
Energy: 1.1597326928059888
Energy: 1.127733833981047
Energy: 1.1597326928059888
Energy: 1.127733833981047
Energy: 1.1597326928059888
Energy: 1.2617480126652993
Energy: 1.6879796976312695
Energy: 1.2617480126643756
Energy: 1.6879796976312695
Energy: 1.2617480126652993
Energy: 1.6879796976312695
Energy: 1.2617480126643756
Energy: 1.184330526845772
Energy: 1.1214215571025994
Energy: 1.184330526845772
Energy: 1.1214215571025994
Energy: 1.184330526845772
Energy: 1.1214215571025994
Energy: 1.184330526845772
Energy: 1.238312537033389
Energy: 1.1925938389425548
Energy: 1.238312537033389
Energy: 1.1925938389425548
Energy: 1.238312537033389
Energy: 1.1925938389425548
Energy: 1.238312537033389
Energy: 1.2161883867662318
Energy: 1.1298669316339278
Energy: 1.2161883867662318
Energy: 1.1298669316339278
Energy: 1.2161883867662318
Energy: 1.1298669316339278
Energy: 1.2161883867662318
Energy: 1.2098938881453518
Energy: 1.6879595359850328
Energy: 1.2098938881453518
Energy: 1.6879595359850328
Energy: 1.2098938881453518
Energy: 1.6879595359850328
Energy: 1.2098938881453518
Energy: 1.1492579323594694
Energy: 1.1215191206349258
Energy: 1.1492579323594694
Energy: 1.1215191206349258
Energy: 1.1492579323594694
Energy: 1.1215191206349258
Energy: 1.1492579323594694
Energy: 1.100753905192466
Energy: 1.1216535207064706
Energy: 1.100753905192466
Energy: 1.1216535207064706
Energy: 1.100753905192466
Energy: 1.1216535207064706
Energy: 1.100753905192466
Energy: 1.1274576137100818
Energy: 1.2136353976295824
Energy: 1.1274576137110055
Energy: 1.2136353976295824
Energy: 1.1274576137110055
Energy: 1.2136353976295824
Energy: 1.1274576137110055
Energy: 1.0964919868763412
Energy: 1.5774604454710872
Energy: 1.0964919868763412
Energy: 1.5774604454710872
Energy: 1.0964919868763412
Energy: 1.5774604454710872
Energy: 1.0964919868763412
Energy: 1.1180580836102503
Energy: 1.1276477151350568
Energy: 1.1180580836102503
Energy: 1.1276477151350568
Energy: 1.1180580836102503
Energy: 1.1276477151350568
Energy: 1.1180580836102503
Energy: 1.1591206192220542
Energy: 1.1219901771659828
Energy: 1.1591206192220542
Energy: 1.1219901771659828
Energy: 1.1591206192220542
Energy: 1.1219901771659828
Energy: 1.1591206192220542
Energy: 1.1309969468837113
Energy: 1.1700670273308063
Energy: 1.1309969468837113
Energy: 1.1700670273308063
Energy: 1.1309969468837113
Energy: 1.1700670273308063
Energy: 1.1309969468837113

minimum gb energy = 1.0881509527153077 eV
minimum distance =  2.32508394549306 Angstroms
sigma value = 113


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

Energy: 1.0203758187424068
Energy: 1.3403874330009575
Energy: 1.0203758187418912
Energy: 1.3403874330009575
Energy: 1.0203758187418912
Energy: 1.3403874330009575
Energy: 1.0203758187418912
Energy: 1.0797898371862549
Energy: 0.9886406992638194
Energy: 1.0797898371867702
Energy: 0.9886406992638194
Energy: 1.0797898371862549
Energy: 0.9886406992633039
Energy: 1.0797898371867702
Energy: 1.0401344121723373
Energy: 0.9848440414899422
Energy: 1.0401344121635754
Energy: 0.9848440414904575
Energy: 1.0401344121723373
Energy: 0.9848440414904575
Energy: 1.0401344121733678
Energy: 1.0174283679972935
Energy: 1.008280933271345
Energy: 1.017428367996778
Energy: 1.008280933271345
Energy: 1.0174283679972935
Energy: 1.008280933271345
Energy: 1.0174283679972935
Energy: 0.9941085338833147
Energy: 1.2404937267299385
Energy: 0.9941085338827994
Energy: 1.2404937267299385
Energy: 0.9941085338833147
Energy: 1.240493726729423
Energy: 0.9941085338833147
Energy: 1.0099021670099342
Energy: 0.9793575739804925
Energy: 1.0099021670099342
Energy: 0.9793575739815232
Energy: 1.0099021670099342
Energy: 0.9793575739810079
Energy: 1.0099021670099342
Energy: 0.960360298758756
Energy: 1.0932949978091047
Energy: 0.9603602987592712
Energy: 1.0932949978096203
Energy: 0.9603602987592712
Energy: 1.0932949978096203
Energy: 0.9603602987592712
Energy: 0.9815339106469696
Energy: 0.9914886333025145
Energy: 0.9815339106469696
Energy: 0.9914886333030297
Energy: 0.9815339106469696
Energy: 0.9914886333030297
Energy: 0.9815339106469696
Energy: 0.9496013632255659
Energy: 1.1907581386481254
Energy: 0.9496013632255659
Energy: 1.1907581386486408
Energy: 0.9496013632250505
Energy: 1.1907581386486408
Energy: 0.9496013632245353
Energy: 1.0090494757960764
Energy: 0.9294029060274144
Energy: 1.009049475795561
Energy: 0.9294029060274144
Energy: 1.0090494757960764
Energy: 0.9294029060274144
Energy: 1.0090494757960764
Energy: 0.9724987087495743
Energy: 1.0040332009382626
Energy: 0.9724987087495743
Energy: 1.0040332009382626
Energy: 0.9724987087490591
Energy: 1.0040332009382626
Energy: 0.9724987087495743
Energy: 1.0037763250052518
Energy: 1.0165904748613397
Energy: 1.0037763250052518
Energy: 1.0165904748613397
Energy: 1.0037763250052518
Energy: 1.0165904748613397
Energy: 1.0037763250042209
Energy: 0.9526541448484118
Energy: 1.2200840990168467
Energy: 0.9526541448478963
Energy: 1.2200840990168467
Energy: 0.9526541448484118
Energy: 1.2200840990168467
Energy: 0.9526541448478963
Energy: 0.9639218343811896
Energy: 0.9301487195634602
Energy: 0.9639218343811896
Energy: 0.9301487195634602
Energy: 0.9639218343811896
Energy: 0.9301487195639757
Energy: 0.963921834381705
Energy: 0.9420594734964485
Energy: 0.9163156689830285
Energy: 0.9420594734964485
Energy: 0.9163156689825598
Energy: 0.9420594734964485
Energy: 0.9163156689825598
Energy: 0.9420594734964485
Energy: 0.9834261907116685
Energy: 1.2017745284065733
Energy: 0.9834261907121838
Energy: 1.2017745284070886
Energy: 0.9834261907116685
Energy: 1.2017745284065733
Energy: 0.9834261907116685
Energy: 0.9066585425879663
Energy: 0.9606416817370916
Energy: 0.9066585425884816
Energy: 0.9606416817381225
Energy: 0.9066585425869353
Energy: 0.9606416817370916
Energy: 0.9066585425884816
Energy: 0.9671052985629789
Energy: 0.9507436068380618
Energy: 0.9671052985629789
Energy: 0.9507436068385771
Energy: 0.9671052985624636
Energy: 0.9507436068380618
Energy: 0.9671052985629789
Energy: 1.0020593669637086
Energy: 0.9269582780214087
Energy: 1.0020593669637086
Energy: 0.9269582780214087
Energy: 1.0020593669637086
Energy: 0.9269582780219242
Energy: 1.0020593669637086
Energy: 0.9564373165570764
Energy: 1.181131481942509
Energy: 0.9564373165581073
Energy: 1.181131481944055
Energy: 0.9564373165570764
Energy: 1.181131481942509
Energy: 0.9564373165560456
Energy: 1.0088628514028812
Energy: 0.9606893868093054
Energy: 1.0088628514033964
Energy: 0.9606893868093054
Energy: 1.008862851403912
Energy: 0.9606893868093054
Energy: 1.0088628514028812
Energy: 0.9983056256320793
Energy: 0.9552986396661794
Energy: 0.9983056256320793
Energy: 0.9552986396661794
Energy: 0.9983056256320793
Energy: 0.955298639666695
Energy: 0.9983056256325945
Energy: 1.01135655131739
Energy: 0.9806951296103323
Energy: 1.0113565513179055
Energy: 0.9806951296113633
Energy: 1.0113565513179055
Energy: 0.9806951296108478
Energy: 1.0113565513179055
Energy: 0.9717580393500658
Energy: 1.1200957129288613
Energy: 0.9717580393505812
Energy: 1.1200957129293767
Energy: 0.9717580393510967
Energy: 1.1200957129262843
Energy: 0.9717580393500658
Energy: 1.125070012606534
Energy: 0.9826585192400278
Energy: 1.125070012606534
Energy: 0.9826585192400278
Energy: 1.125070012607565
Energy: 0.9826585192405431
Energy: 1.125070012606534
Energy: 1.0184194706758627
Energy: 0.9487308729209537
Energy: 1.0184194706779246
Energy: 0.9487308729214692
Energy: 1.0184194706784397
Energy: 0.9487308729209537
Energy: 1.0184194706768934
Energy: 1.0484517386567243
Energy: 1.1455312991748554
Energy: 1.0484517386567243
Energy: 1.1455312991748554
Energy: 1.0484517386567243
Energy: 1.14553129917434
Energy: 1.0484517386567243
Energy: 1.0197654374510723
Energy: 1.2994054184580985
Energy: 1.019765437450557
Energy: 1.2994054184580985
Energy: 1.0197654374500416
Energy: 1.2994054184580985
Energy: 1.0197654374500416
Energy: 1.1734202662964899
Energy: 1.0093869664391633
Energy: 1.1734202662959745
Energy: 1.0093869664391633
Energy: 1.1734202662964899
Energy: 1.0093869664391633
Energy: 1.1734202662964899
Energy: 1.0305655681846255
Energy: 0.948548143510157
Energy: 1.030565568185141
Energy: 0.9485481435096417
Energy: 1.0305655681856563
Energy: 0.9485481435096417
Energy: 1.030565568185141
Energy: 1.0027906577139103
Energy: 0.9751381662756603
Energy: 1.0027906577133947
Energy: 0.9751381662761758
Energy: 1.0027906577128793
Energy: 0.9751381662761758
Energy: 1.0027906577133947
Energy: 0.9712122798254302
Energy: 0.9929679748196089
Energy: 0.9712122798259458
Energy: 0.9929679748201243
Energy: 0.9712122798259458
Energy: 0.9929679748211551
Energy: 0.9712122798259458
Energy: 1.1263789980104284
Energy: 0.9799088973178598
Energy: 1.126378998009398
Energy: 0.9799088973173442
Energy: 1.1263789980114594
Energy: 0.9799088973178598
Energy: 1.1263789980104284
Energy: 0.9682982210613871
Energy: 0.9680681530211057
Energy: 0.9682982210624177
Energy: 0.9680681530211057
Energy: 0.9682982210629333
Energy: 0.9680681530211057
Energy: 0.9682982210629333
Energy: 1.010156200514146
Energy: 0.9413381388204384
Energy: 1.010156200514146
Energy: 0.941338138819923
Energy: 1.0101562005136304
Energy: 0.941338138819923
Energy: 1.010156200514146
Energy: 0.9331375077577451
Energy: 1.1808491457348382
Energy: 0.9331375077572296
Energy: 1.1808491457348382
Energy: 0.9331375077587758
Energy: 1.1808491457348382
Energy: 0.9331375077572296
Energy: 1.1208129425094127
Energy: 0.9271213588987276
Energy: 1.1208129425094127
Energy: 0.9271213588987276
Energy: 1.1208129425099278
Energy: 0.9271213588987276
Energy: 1.1208129425109585
Energy: 0.963291485047352
Energy: 0.919054091581648
Energy: 0.963291485047352
Energy: 0.9190540915811324
Energy: 0.9632914850463212
Energy: 0.919054091581648
Energy: 0.9632914850468367
Energy: 1.0026117726047024
Energy: 0.9889475520176453
Energy: 1.002611772604187
Energy: 0.9889475520176453
Energy: 1.002611772604187
Energy: 0.9889475520176453
Energy: 1.0026117726047024
Energy: 0.9036654218743237
Energy: 1.218933225763497
Energy: 0.9036654218738084
Energy: 1.2189332257640122
Energy: 0.9036654218743237
Energy: 1.2189332257640122
Energy: 0.9036654218727775
Energy: 0.9599868160005188
Energy: 0.927374606457282
Energy: 0.9599868160010343
Energy: 0.927374606457282
Energy: 0.9599868160010343
Energy: 0.927374606457282
Energy: 0.9599868160015497
Energy: 0.9629031327510041
Energy: 0.9228277842495461
Energy: 0.9629031327504888
Energy: 0.9228277842500615
Energy: 0.9629031327504888
Energy: 0.9228277842495461
Energy: 0.9629031327510041
Energy: 0.9862214091169389
Energy: 1.2018369596395633
Energy: 0.9862214091169389
Energy: 1.2018369596395633
Energy: 0.9862214091174543
Energy: 1.201836959639048
Energy: 0.9862214091169389
Energy: 0.9066705234989954
Energy: 0.9525861651716155
Energy: 0.9066705234995109
Energy: 0.9525861651716155
Energy: 0.9066705234984801
Energy: 0.9525861651711001
Energy: 0.9066705234984801
Energy: 0.9375131553720599
Energy: 0.9483184596847684
Energy: 0.9375131553715447
Energy: 0.9483184596847684
Energy: 0.9375131553720599
Energy: 0.9483184596847684
Energy: 0.9375131553720599

minimum gb energy = 0.9036654218727775 eV
minimum distance =  2.31796772668268 Angstroms
sigma value = 365


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

Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.3289742769472808
Energy: 1.1530798871255263
Energy: 2.3289532383597895
Energy: 1.1530798871266883
Energy: 2.3289687691833554
Energy: 1.1530798871255263
Energy: 2.149353005165541
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.5752487553275625
Energy: 1.1530798871266883
Energy: 2.769350785007999
Energy: 1.1530798871266883
Energy: 2.3289718103242234
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.1493530051667027
Energy: 1.1530798871266883
Energy: 2.1493530051667027
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.3289750319769587
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.149353005165541
Energy: 1.1530798871255263
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 1.1530798871255263
Energy: 2.149353005165541
Energy: 1.1530798871255263
Energy: 2.1493530051643788
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.1493530051643788
Energy: 1.1530798871266883
Energy: 2.1493530051667027
Energy: 1.1530798871266883
Energy: 2.1493530051667027
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 0.2997652170947567
Energy: 0.43697004527547734
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.149353005165541
Energy: 1.1530798871266883
Energy: 2.1493530051643788
Energy: 1.1530798871266883
Energy: 2.149353005165541

minimum gb energy = 0.2997652170947567 eV
minimum distance =  2.31317386519975 Angstroms
sigma value = 23