Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_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=2.850997865200043
cohesive_energy=4.280336178503189
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: 0.016285155719236603
Energy: 0.4351259660804515
Energy: 0.016285155719236603
Energy: 0.4351259660800399
Energy: 0.016285155719236603
Energy: 0.4351259660800399
Energy: 0.016285155719236603
Energy: 0.016757655925490746
Energy: 0.6714210044302675
Energy: 0.016757655925079062
Energy: 0.6714210044302675
Energy: 0.016757655925490746
Energy: 0.6714210044302675
Energy: 0.016757655925079062
Energy: 0.4215694844943358
Energy: 0.547394236204429
Energy: 0.4215694844947475
Energy: 0.5473942362048406
Energy: 0.4215694844943358
Energy: 0.5473942362048406
Energy: 0.4215694844943358
Energy: 0.016757655925490746
Energy: 0.6714210044302675
Energy: 0.016757655925079062
Energy: 0.6714210044298558
Energy: 0.016757655925490746
Energy: 0.6714210044302675
Energy: 0.016757655925079062
Energy: 0.016285155719236603
Energy: 0.4351259660804515
Energy: 0.016285155719236603
Energy: 0.4351259660800399
Energy: 0.016285155719236603
Energy: 0.4351259660800399
Energy: 0.016285155719236603
Energy: 0.016757655925490746
Energy: 0.6714210044302675
Energy: 0.016757655925079062
Energy: 0.6714210044298558
Energy: 0.016757655925490746
Energy: 0.6714210044302675
Energy: 0.016757655925079062

minimum gb energy = 0.016285155719236603 eV
minimum distance =  2.46582053588844 Angstroms
sigma value = 5


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

Energy: 1.3297368295773744
Energy: 1.7133314127104755
Energy: 1.329736829577866
Energy: 1.7133314127104755
Energy: 1.3297368295773744
Energy: 1.7133314127104755
Energy: 1.3297368295773744
Energy: 1.3217708644431887
Energy: 1.346978007721189
Energy: 1.3217708644417134
Energy: 1.3469780077202054
Energy: 1.3217708644431887
Energy: 1.346978007721189
Energy: 1.3217708644417134
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Energy: 1.244959204630948
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Energy: 1.244959204630948
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Energy: 1.2466329545164008
Energy: 1.3635688138650122
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Energy: 1.2466329545164008
Energy: 1.3635688138650122
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Energy: 1.2449306535105116
Energy: 1.3480452912620025
Energy: 1.2449306535080529
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Energy: 1.2449306535105116
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Energy: 1.3081150794457224
Energy: 1.3439836526689022
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Energy: 1.286422020919589
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Energy: 1.3444707016498416
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Energy: 1.2500566226798824
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Energy: 1.3462710441002308
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Energy: 1.2852622765570485
Energy: 1.3078539333562562
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Energy: 1.3078539333577315
Energy: 1.285262276556065
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Energy: 1.2852622765570485
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Energy: 1.377097106885899
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Energy: 1.361038853055467
Energy: 1.3770971068863906
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Energy: 1.1969852963414618
Energy: 1.2423331972650347
Energy: 1.1969852963419534
Energy: 1.2423331972660183
Energy: 1.1969852963414618
Energy: 1.2423331972650347
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Energy: 1.2999606369336127
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Energy: 1.299960636933121
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Energy: 1.2780784665734704
Energy: 1.343483519919038
Energy: 1.278078466571995
Energy: 1.34348351991953
Energy: 1.2780784665734704
Energy: 1.343483519919038
Energy: 1.278078466571995
Energy: 1.3303692953637511
Energy: 1.311717643189974
Energy: 1.3303692953652264
Energy: 1.3117176431889905
Energy: 1.330369295364243
Energy: 1.311717643189974
Energy: 1.3303692953652264
Energy: 1.231381818226293
Energy: 1.2558499831041026
Energy: 1.2313818182248177
Energy: 1.255849983105086
Energy: 1.2313818182258014
Energy: 1.2558499831036107
Energy: 1.2313818182248177
Energy: 1.2513992472122482
Energy: 1.3570935803362965
Energy: 1.2513992472127398
Energy: 1.3570935803367883
Energy: 1.2513992472122482
Energy: 1.3570935803358048
Energy: 1.2513992472127398
Energy: 1.2480534788410622
Energy: 1.282803640998234
Energy: 1.2480534788420459
Energy: 1.2828036409977424
Energy: 1.248053478841554
Energy: 1.282803640998234
Energy: 1.2480534788420459
Energy: 1.254527399871677
Energy: 1.288208579230618
Energy: 1.2545273998706936
Energy: 1.2882085792291424
Energy: 1.254527399871677
Energy: 1.2882085792296343
Energy: 1.2545273998706936

minimum gb energy = 1.1969852963414618 eV
minimum distance =  2.31366530687805 Angstroms
sigma value = 401


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

Energy: 1.4185206500423095
Energy: 1.3435770793765622
Energy: 1.3261213203717186
Energy: 1.3435770793765622
Energy: 1.4185206500445426
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Energy: 1.3428021097396807
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Energy: 1.4241431551755683
Energy: 1.3428021097396807
Energy: 1.4243210940760518
Energy: 1.3424765386799526
Energy: 1.331219155815402
Energy: 1.4437143945763171
Energy: 1.3307857830666767
Energy: 1.4437530837809136
Energy: 1.331219155815402
Energy: 1.4437143945735258
Energy: 1.3307857830683514
Energy: 1.363677360911014
Energy: 1.3945809202478023
Energy: 1.363690274556953
Energy: 1.3945809202478023
Energy: 1.3636773609115722
Energy: 1.3945809202472443
Energy: 1.3636902745558368
Energy: 1.3528073183353322
Energy: 1.4108296216969767
Energy: 1.345961195799089
Energy: 1.4108296216986513
Energy: 1.3528073183347742
Energy: 1.4108296216992096
Energy: 1.345961195799089
Energy: 1.2681975769963327
Energy: 1.3279020696878892
Energy: 1.2681975769963327
Energy: 1.3279020696862651
Energy: 1.2681975769980074
Energy: 1.3279020696851487
Energy: 1.2681975769957745
Energy: 1.2807664542967134
Energy: 1.342726656136366
Energy: 1.2188092895764093
Energy: 1.3427266562139075
Energy: 1.280766454295597
Energy: 1.3427266562122329
Energy: 1.2188092895775258
Energy: 1.4185206500423095
Energy: 1.343577079376004
Energy: 1.326121320370044
Energy: 1.343577079376004
Energy: 1.4185206500439842
Energy: 1.3435770793771202
Energy: 1.3261213203706024
Energy: 1.2777623644214415
Energy: 1.4194898706781913
Energy: 1.2188424520419348
Energy: 1.4165793339648793
Energy: 1.2777623644214415
Energy: 1.4194898706781913
Energy: 1.2188424520447259

minimum gb energy = 1.2188092895764093 eV
minimum distance =  2.33441502499078 Angstroms
sigma value = 311


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

Energy: 1.3005241373490115
Energy: 1.3287510362161437
Energy: 1.3005241373477228
Energy: 1.328751036215499
Energy: 1.3005241373490115
Energy: 1.328751036215499
Energy: 1.3005241373477228
Energy: 1.3215237392893735
Energy: 1.2639912784120644
Energy: 1.3215237392893735
Energy: 1.2639912784120644
Energy: 1.3215237392893735
Energy: 1.2639912784120644
Energy: 1.3215237392893735
Energy: 1.2451053439853896
Energy: 1.3182658415191566
Energy: 1.2451053439860342
Energy: 1.3182658415198014
Energy: 1.2451053439853896
Energy: 1.3182658415191566
Energy: 1.2451053439853896
Energy: 1.3906567231804856
Energy: 1.3584138529098573
Energy: 1.3906567231791964
Energy: 1.3584138529098573
Energy: 1.390656723179841
Energy: 1.3584138529092125
Energy: 1.3906567231804856
Energy: 1.400195980952764
Energy: 1.3457526829786428
Energy: 1.400195980952764
Energy: 1.3457526829786428
Energy: 1.4001959809534086
Energy: 1.3457526829786428
Energy: 1.4001959809534086
Energy: 1.23952276748511
Energy: 1.34254452150965
Energy: 1.23952276748511
Energy: 1.3425445215090055
Energy: 1.23952276748511
Energy: 1.34254452150965
Energy: 1.23952276748511
Energy: 1.2280490544015614
Energy: 1.363155967691208
Energy: 1.2280490544015614
Energy: 1.363155967691208
Energy: 1.2280490544015614
Energy: 1.3631559676918523
Energy: 1.2280490544015614
Energy: 1.355212730069051
Energy: 1.3480154493128074
Energy: 1.355212730069051
Energy: 1.3480154493134522
Energy: 1.355212730069051
Energy: 1.3480154493128074
Energy: 1.355212730069051
Energy: 1.330738001902875
Energy: 1.3475723418829604
Energy: 1.330738001902875
Energy: 1.3475723418829604
Energy: 1.330738001902875
Energy: 1.3475723418829604
Energy: 1.330738001902875
Energy: 1.3060796777406787
Energy: 1.4142136848068827
Energy: 1.3060796777419679
Energy: 1.4142136848068827
Energy: 1.3060796777419679
Energy: 1.4142136848074978
Energy: 1.3060796777413233
Energy: 1.293404782025346
Energy: 1.4312583772554826
Energy: 1.2934047820259906
Energy: 1.4312583772561271
Energy: 1.2934047820259906
Energy: 1.4312583772561271
Energy: 1.2934047820259906
Energy: 1.3532804976441681
Energy: 1.4064932361041365
Energy: 1.3532804976441681
Energy: 1.406493236104781
Energy: 1.3532804976441681
Energy: 1.4064932361053961
Energy: 1.3532804976441681
Energy: 1.32154748775318
Energy: 1.3051208257214533
Energy: 1.32154748775318
Energy: 1.3051208257208087
Energy: 1.32154748775318
Energy: 1.3051208257208087
Energy: 1.3215474877538245
Energy: 1.2247161928984511
Energy: 1.2423190422935422
Energy: 1.2247161928984511
Energy: 1.2423190422935422
Energy: 1.2247161928984511
Energy: 1.2423190422935422
Energy: 1.2247161928984511
Energy: 1.32056555420673
Energy: 1.389383205202514
Energy: 1.3205655542073746
Energy: 1.389383205202514
Energy: 1.32056555420673
Energy: 1.389383205202514
Energy: 1.3205655542073746
Energy: 1.3011702766141136
Energy: 1.332267712541654
Energy: 1.3011702766141136
Energy: 1.332267712541654
Energy: 1.301170276613469
Energy: 1.332267712541654
Energy: 1.301170276613469
Energy: 1.3595149363309103
Energy: 1.264736451947504
Energy: 1.3595149363309103
Energy: 1.264736451947504
Energy: 1.3595149363315544
Energy: 1.264736451947504
Energy: 1.3595149363302657
Energy: 1.3042110985784199
Energy: 1.2774212851760811
Energy: 1.3042110985777753
Energy: 1.2774212851767257
Energy: 1.3042110985790645
Energy: 1.2774212851767257
Energy: 1.3042110985784199
Energy: 1.4967879619863167
Energy: 1.3685948453007135
Energy: 1.480848538187254
Energy: 1.3685948453013583
Energy: 1.4967879619863167
Energy: 1.368594845300069
Energy: 1.4506568378995726
Energy: 1.3653617954593433
Energy: 1.4023864744788452
Energy: 1.365361795458699
Energy: 1.4023864744782009
Energy: 1.3653617954593433
Energy: 1.4023864744782009
Energy: 1.3653617954593433
Energy: 1.2391444811615122
Energy: 1.2445374351330292
Energy: 1.2391444811621568
Energy: 1.2445374351330292
Energy: 1.2391444811615122
Energy: 1.2445374351323846
Energy: 1.2391444811621568
Energy: 1.2447714888463848
Energy: 1.4022229663918173
Energy: 1.2447714888457402
Energy: 1.4022229663918173
Energy: 1.2447714888457402
Energy: 1.4022229663924617
Energy: 1.2447714888457402
Energy: 1.3599176001697364
Energy: 1.3329611007644182
Energy: 1.3599176001697364
Energy: 1.3329611007644182
Energy: 1.3599176001697364
Energy: 1.3329611007644182
Energy: 1.3599176001697364
Energy: 1.3407591977756437
Energy: 1.3905480010670048
Energy: 1.3407591977756437
Energy: 1.3905480010663602
Energy: 1.3407591977756437
Energy: 1.3905480010663602
Energy: 1.3407591977749993
Energy: 1.2518094396515784
Energy: 1.2731793460611882
Energy: 1.2518094396522228
Energy: 1.2731793460611882
Energy: 1.2518094396528674
Energy: 1.2731793460611882
Energy: 1.2518094396522228
Energy: 1.3723845263344898
Energy: 1.4134824247003455
Energy: 1.3723845263351344
Energy: 1.41348242470099
Energy: 1.3723845263344898
Energy: 1.41348242470099
Energy: 1.3723845263351344
Energy: 1.3371762975120776
Energy: 1.362542040306453
Energy: 1.3371762975127222
Energy: 1.362542040306453
Energy: 1.3371762975120776
Energy: 1.3625420403058084
Energy: 1.3371762975127222
Energy: 1.3150864458050884
Energy: 1.3737969206876721
Energy: 1.3150864458050884
Energy: 1.3737969206876721
Energy: 1.3150864458050884
Energy: 1.3737969206876721
Energy: 1.3150864458050884
Energy: 1.228162579873881
Energy: 1.2197489427995316
Energy: 1.228162579873881
Energy: 1.2197489428001762
Energy: 1.228162579873881
Energy: 1.2197489427995316
Energy: 1.228162579873881
Energy: 1.3407244135236114
Energy: 1.4202634094037447
Energy: 1.340724413524256
Energy: 1.4202634094043893
Energy: 1.3407244135236114
Energy: 1.4202634094050337
Energy: 1.340724413524256
Energy: 1.3181544087461043
Energy: 1.3330311440212235
Energy: 1.3181544087461043
Energy: 1.3330311440212235
Energy: 1.3181544087461043
Energy: 1.3330311440212235
Energy: 1.3181544087461043
Energy: 1.2750958910686818
Energy: 1.433035396330907
Energy: 1.2750958910693264
Energy: 1.4330353963315514
Energy: 1.2750958910693264
Energy: 1.4330353963321962
Energy: 1.2750958910686818
Energy: 1.2931475489351958
Energy: 1.292774688146281
Energy: 1.2931475489351958
Energy: 1.292774688146281
Energy: 1.2931475489351958
Energy: 1.292774688146281
Energy: 1.2931475489351958
Energy: 1.3263769064247217
Energy: 1.3996061527931931
Energy: 1.3263769064247217
Energy: 1.3996061527925487
Energy: 1.3263769064247217
Energy: 1.3996061527931931
Energy: 1.3263769064247217
Energy: 1.3862599128350712
Energy: 1.4290679696854178
Energy: 1.3862599128357158
Energy: 1.4290679696860626
Energy: 1.3862599128350712
Energy: 1.4290679696854178
Energy: 1.3862599128350712
Energy: 1.2247343113659843
Energy: 1.2508161695927702
Energy: 1.2247343113659843
Energy: 1.2508161695927702
Energy: 1.2247343113659843
Energy: 1.2508161695934148
Energy: 1.224734311366629

minimum gb energy = 1.2197489427995316 eV
minimum distance =  2.30942918220209 Angstroms
sigma value = 39


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

Energy: 1.2848680737710592
Energy: 1.3599008808518203
Energy: 1.2848680737702987
Energy: 1.3599008808525812
Energy: 1.2848680737710592
Energy: 1.3599008808518203
Energy: 1.2848680737702987
Energy: 1.3393653634266445
Energy: 1.1628360100814066
Energy: 1.3393653634251228
Energy: 1.1628360100814066
Energy: 1.3393653634258837
Energy: 1.1628360100806459
Energy: 1.3393653634258837
Energy: 1.254051940231847
Energy: 1.2380908938163342
Energy: 1.254051940231847
Energy: 1.2380908938155737
Energy: 1.2540519402310863
Energy: 1.238090893814813
Energy: 1.254051940231847
Energy: 1.407822033361561
Energy: 1.1045088473445768
Energy: 1.4078220333608003
Energy: 1.1045088473453377
Energy: 1.407822033361561
Energy: 1.1045088473445768
Energy: 1.407822033361561
Energy: 1.3815037627266191
Energy: 1.18868742131732
Energy: 1.3815037627258582
Energy: 1.1886874213188412
Energy: 1.3815037627258582
Energy: 1.1886874213180807
Energy: 1.3815037627250977
Energy: 1.3742445294319945
Energy: 1.2437779774886932
Energy: 1.3742445294327552
Energy: 1.2437779774886932
Energy: 1.3742445294312338
Energy: 1.2437779774886932
Energy: 1.3742445294312338
Energy: 1.334010516196563
Energy: 1.33185080108846
Energy: 1.3682226450700614
Energy: 1.3318508010876993
Energy: 1.265679987729135
Energy: 1.33185080108846
Energy: 1.265679987729135
Energy: 1.2893569861516887
Energy: 1.2584573360828486
Energy: 1.2893569861524492
Energy: 1.2584573360828486
Energy: 1.2893569861524492
Energy: 1.2584573360828486
Energy: 1.2893569861524492
Energy: 1.4407169908802966
Energy: 1.2229968416047814
Energy: 1.4407169908795356
Energy: 1.2229968416032602
Energy: 1.4407169908802966
Energy: 1.2229968416047814
Energy: 1.440716990881057
Energy: 1.2040070314521394
Energy: 1.3643595480007569
Energy: 1.2040070314513787
Energy: 1.3643595480015176
Energy: 1.204007031450618
Energy: 1.3643595480007569
Energy: 1.204007031450618
Energy: 1.3674952833078091
Energy: 1.277037052069062
Energy: 1.2656448736537602
Energy: 1.2770370520683012
Energy: 1.265644873654521
Energy: 1.2770370520675405
Energy: 1.2656448736537602
Energy: 1.2368254943591614
Energy: 1.169300828472186
Energy: 1.2368254943584007
Energy: 1.1693008284706645
Energy: 1.2368254943584007
Energy: 1.1693008284706645
Energy: 1.23682549435764
Energy: 1.3486230709890783
Energy: 1.1049700128101148
Energy: 1.3486230709875566
Energy: 1.1049700128093543
Energy: 1.3486230709883176
Energy: 1.1049700128093543
Energy: 1.3486230709890783
Energy: 1.2248097051767413
Energy: 1.220530559370987
Energy: 1.2248097051767413
Energy: 1.2205305593717475
Energy: 1.2248097051775018
Energy: 1.2205305593717475
Energy: 1.2248097051767413
Energy: 1.2621930586204528
Energy: 1.1581269692347977
Energy: 1.3178422935995073
Energy: 1.1581269692347977
Energy: 1.2013470102440487
Energy: 1.1581269692347977
Energy: 1.2013470102440487
Energy: 1.2039492305740267
Energy: 1.2298397050218808
Energy: 1.2039492305740267
Energy: 1.2298397050203593
Energy: 1.203949230573266
Energy: 1.229839705028727
Energy: 1.203949230573266
Energy: 1.4590733082426686
Energy: 1.1946676957031612
Energy: 1.4590733082434293
Energy: 1.1946676957024005
Energy: 1.4590733082426686
Energy: 1.1946676957031612
Energy: 1.4590733082411471
Energy: 1.2886771704929258
Energy: 1.2422317254847612
Energy: 1.2886771704936866
Energy: 1.2422317254855217
Energy: 1.2886771704936866
Energy: 1.2422317254862825
Energy: 1.2886771704936866
Energy: 1.3336566293681553
Energy: 1.3021120126128198
Energy: 1.3336566293681553
Energy: 1.3021120126128198
Energy: 1.3336566293681553
Energy: 1.3021120126143413
Energy: 1.3336566293689158
Energy: 1.2036772762424814
Energy: 1.3207028353909693
Energy: 1.203677276243242
Energy: 1.3207028353917303
Energy: 1.203677276243242
Energy: 1.3207028353909693
Energy: 1.2036772762424814
Energy: 1.3811723766243675
Energy: 1.146657040733024
Energy: 1.3811723766243675
Energy: 1.1466570407337848
Energy: 1.381172376625128
Energy: 1.1466570407337848
Energy: 1.3811723766236068
Energy: 1.2361236178129562
Energy: 1.1699791742207717
Energy: 1.2361236178114348
Energy: 1.1699791742207717
Energy: 1.2361236178114348
Energy: 1.1699791742207717
Energy: 1.2361236178121955
Energy: 1.3997207208804299
Energy: 1.2331506586210659
Energy: 1.3997207208804299
Energy: 1.2331506586218266
Energy: 1.3997207208796694
Energy: 1.2331506586218266
Energy: 1.3997207208796694
Energy: 1.3708492430730128
Energy: 1.1880423428359745
Energy: 1.370849243072252
Energy: 1.1880423428359745
Energy: 1.3708492430737735
Energy: 1.1880423428352138
Energy: 1.3708492430730128
Energy: 1.3784268703053486
Energy: 1.238906531131119
Energy: 1.3784268702756806
Energy: 1.238906531131119
Energy: 1.3784268703061093
Energy: 1.238906531131119
Energy: 1.378426870279484
Energy: 1.334186524643541
Energy: 1.1957247662749617
Energy: 1.334186524643541
Energy: 1.1957247669828477
Energy: 1.3341865246443019
Energy: 1.195724765662823
Energy: 1.334186524643541
Energy: 1.28960992377508
Energy: 1.3120440251778944
Energy: 1.2896099237735585
Energy: 1.3120440251786554
Energy: 1.2896099237743193
Energy: 1.3120440251786554
Energy: 1.28960992377508
Energy: 1.3339323170901594
Energy: 1.2250536060541282
Energy: 1.3339323170893986
Energy: 1.2250536060548889
Energy: 1.333932317088638
Energy: 1.2250536060548889
Energy: 1.3339323170893986
Energy: 1.2848680737710592
Energy: 1.3599008808518203
Energy: 1.2848680737702987
Energy: 1.3599008808518203
Energy: 1.2848680737710592
Energy: 1.3599008808518203
Energy: 1.2848680737702987
Energy: 1.3393653634266445
Energy: 1.1628360100814066
Energy: 1.3393653634251228
Energy: 1.1628360100821673
Energy: 1.3393653634258837
Energy: 1.1628360100814066
Energy: 1.3393653634258837

minimum gb energy = 1.1045088473445768 eV
minimum distance =  2.29501378515901 Angstroms
sigma value = 21


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

Energy: 1.2778982826369725
Energy: 1.3855978110495375
Energy: 1.277898282637896
Energy: 1.3855978110495375
Energy: 1.277898282637896
Energy: 1.3855978110495375
Energy: 1.277898282637896
Energy: 1.2007087691031264
Energy: 1.1131941153466833
Energy: 1.200708769102203
Energy: 1.1131941153466833
Energy: 1.2007087691031264
Energy: 1.1131941153466833
Energy: 1.200708769102203
Energy: 1.1760043735257542
Energy: 1.70317972998552
Energy: 1.1760043735257542
Energy: 1.70317972998552
Energy: 1.1760043735257542
Energy: 1.70317972998552
Energy: 1.1760043735257542
Energy: 1.1229789077334829
Energy: 1.117878640833477
Energy: 1.1229789077334829
Energy: 1.117878640833477
Energy: 1.1229789077334829
Energy: 1.117878640833477
Energy: 1.1229789077334829
Energy: 1.1329936149890478
Energy: 1.1222362952647258
Energy: 1.132993614989971
Energy: 1.1222362952647258
Energy: 1.132993614989971
Energy: 1.1222362952647258
Energy: 1.132993614989971
Energy: 1.1277983402950882
Energy: 1.1263163203904618
Energy: 1.1277983402950882
Energy: 1.1263163203904618
Energy: 1.1277983402950882
Energy: 1.1263163203904618
Energy: 1.1277983402960117
Energy: 1.128288726554708
Energy: 1.625547059879695
Energy: 1.128288726554708
Energy: 1.625547059879695
Energy: 1.128288726554708
Energy: 1.625547059879695
Energy: 1.128288726554708
Energy: 1.0881509587212908
Energy: 1.1285866666477347
Energy: 1.0881509587212908
Energy: 1.1285866666468114
Energy: 1.0881509587212908
Energy: 1.1285866666477347
Energy: 1.0881509587212908
Energy: 1.178305582879292
Energy: 1.12797824456326
Energy: 1.178305582879292
Energy: 1.12797824456326
Energy: 1.178305582879292
Energy: 1.12797824456326
Energy: 1.178305582879292
Energy: 1.1502394834842988
Energy: 1.4545269183707348
Energy: 1.1502394834833753
Energy: 1.4545269183707348
Energy: 1.1502394834842988
Energy: 1.4545269183707348
Energy: 1.1502394834833753
Energy: 1.1158339497666736
Energy: 1.121909617796486
Energy: 1.1158339497657501
Energy: 1.121909617796486
Energy: 1.1158339497657501
Energy: 1.121909617796486
Energy: 1.1158339497666736
Energy: 1.0981094113542988
Energy: 1.148352012688856
Energy: 1.0981094113542988
Energy: 1.148352012688856
Energy: 1.0981094113542988
Energy: 1.148352012688856
Energy: 1.0981094113542988
Energy: 1.1597327052580546
Energy: 1.1277338470181881
Energy: 1.1597327052571311
Energy: 1.1277338470191116
Energy: 1.1597327052580546
Energy: 1.1277338470181881
Energy: 1.1597327052580546
Energy: 1.261748005664231
Energy: 1.6879797051292844
Energy: 1.261748005664231
Energy: 1.6879797051292844
Energy: 1.261748005664231
Energy: 1.6879797051292844
Energy: 1.261748005664231
Energy: 1.1843305174804013
Energy: 1.121421568403682
Energy: 1.1843305174804013
Energy: 1.121421568403682
Energy: 1.1843305174804013
Energy: 1.121421568403682
Energy: 1.1843305174804013
Energy: 1.2383125140062297
Energy: 1.1925938177302828
Energy: 1.2383125140053275
Energy: 1.1925938177302828
Energy: 1.2383125140053275
Energy: 1.1925938177312065
Energy: 1.2383125140062297
Energy: 1.2161883810012089
Energy: 1.1298669444311364
Energy: 1.2161883810012089
Energy: 1.1298669444311364
Energy: 1.2161883810012089
Energy: 1.1298669444311364
Energy: 1.2161883810002856
Energy: 1.209893878173296
Energy: 1.6879596391278684
Energy: 1.2098938781742192
Energy: 1.6879596391278684
Energy: 1.209893878173296
Energy: 1.6879596391278684
Energy: 1.2098938781742192
Energy: 1.1492579429328282
Energy: 1.1215191258830162
Energy: 1.1492579429328282
Energy: 1.1215191258830162
Energy: 1.1492579429328282
Energy: 1.1215191258830162
Energy: 1.1492579429328282
Energy: 1.1007539074031203
Energy: 1.121653512659362
Energy: 1.1007539074031203
Energy: 1.1216535126602858
Energy: 1.1007539074031203
Energy: 1.1216535126602858
Energy: 1.1007539074031203
Energy: 1.1274576237347067
Energy: 1.2136354179556517
Energy: 1.1274576237337834
Energy: 1.2136354179556517
Energy: 1.1274576237337834
Energy: 1.2136354179556517
Energy: 1.1274576237337834
Energy: 1.0964919980139014
Energy: 1.577460459337566
Energy: 1.0964919980139014
Energy: 1.5774604593384896
Energy: 1.0964919980139014
Energy: 1.577460459337566
Energy: 1.0964919980139014
Energy: 1.1180580963605136
Energy: 1.1276477357400103
Energy: 1.118058096361437
Energy: 1.1276477357400103
Energy: 1.1180580963605136
Energy: 1.1276477357390868
Energy: 1.118058096361437
Energy: 1.159120632185069
Energy: 1.121990169130771
Energy: 1.159120632185069
Energy: 1.121990169130771
Energy: 1.159120632185069
Energy: 1.121990169130771
Energy: 1.1591206321859924
Energy: 1.130996959971132
Energy: 1.1700670819945065
Energy: 1.130996959971132
Energy: 1.1700670819945065
Energy: 1.1309969599720553
Energy: 1.1700670819945065
Energy: 1.130996959971132

minimum gb energy = 1.0881509587212908 eV
minimum distance =  2.32508393655057 Angstroms
sigma value = 113


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

Energy: 1.0203757910984517
Energy: 1.3403874202632362
Energy: 1.0203757910994826
Energy: 1.3403874202627208
Energy: 1.0203757910989673
Energy: 1.3403874202632362
Energy: 1.0203757910999978
Energy: 1.0797898834968638
Energy: 0.9886407118157163
Energy: 1.0797898834978947
Energy: 0.9886407118157163
Energy: 1.0797898834968638
Energy: 0.9886407118157163
Energy: 1.0797898834968638
Energy: 1.040134336299918
Energy: 0.9848439775554326
Energy: 1.0401343362968258
Energy: 0.9848439775559481
Energy: 1.0401343362994024
Energy: 0.9848439775554326
Energy: 1.0401343362988873
Energy: 1.0174283812467684
Energy: 1.0082809010410245
Energy: 1.017428381246253
Energy: 1.0082809010405092
Energy: 1.0174283812467684
Energy: 1.0082809010410245
Energy: 1.0174283812467684
Energy: 0.994108527506219
Energy: 1.2404937197484107
Energy: 0.994108527506219
Energy: 1.2404937197468646
Energy: 0.994108527506219
Energy: 1.2404937197478951
Energy: 0.9941085275057038
Energy: 1.0099021779415596
Energy: 0.9793577097064194
Energy: 1.0099021779410442
Energy: 0.9793577097038424
Energy: 1.0099021779420752
Energy: 0.9793577097064194
Energy: 1.0099021779415596
Energy: 0.96036028158102
Energy: 1.0932949374185368
Energy: 0.96036028158102
Energy: 1.0932949374190521
Energy: 0.9603602815820509
Energy: 1.0932949374185368
Energy: 0.96036028158102
Energy: 0.9815339224415751
Energy: 0.9914886254100531
Energy: 0.9815339224420906
Energy: 0.9914886254090224
Energy: 0.9815339224415751
Energy: 0.9914886254100531
Energy: 0.9815339224415751
Energy: 0.9496014027850335
Energy: 1.1907581408517212
Energy: 0.9496014027855489
Energy: 1.1907581408517212
Energy: 0.9496014027845182
Energy: 1.1907581408517212
Energy: 0.9496014027860644
Energy: 1.0090494873924147
Energy: 0.9294030095576015
Energy: 1.0090494873924147
Energy: 0.9294030095586323
Energy: 1.00904948739293
Energy: 0.9294030095576015
Energy: 1.0090494873924147
Energy: 0.9724987064668383
Energy: 1.0040330759621336
Energy: 0.9724987064678692
Energy: 1.0040330759631644
Energy: 0.9724987064668383
Energy: 1.0040330759616183
Energy: 0.9724987064668383
Energy: 1.0037763730647618
Energy: 1.016590482092905
Energy: 1.0037763730647618
Energy: 1.0165904820923897
Energy: 1.0037763730652771
Energy: 1.016590482092905
Energy: 1.0037763730647618
Energy: 0.9526541583992204
Energy: 1.220084112735686
Energy: 0.9526541584002512
Energy: 1.220084112733109
Energy: 0.952654158398705
Energy: 1.22008411273414
Energy: 0.9526541584002512
Energy: 0.9639217889626563
Energy: 0.9301487327756305
Energy: 0.9639217889621409
Energy: 0.9301487327735689
Energy: 0.9639217889621409
Energy: 0.9301487327756305
Energy: 0.9639217889631716
Energy: 0.9420594731673603
Energy: 0.916315675970305
Energy: 0.9420594731663294
Energy: 0.916315675970305
Energy: 0.9420594731673603
Energy: 0.916315675970305
Energy: 0.9420594731668448
Energy: 0.9834261993803163
Energy: 1.2017745407846152
Energy: 0.983426199379801
Energy: 1.2017745407851308
Energy: 0.9834261993803163
Energy: 1.2017745407851308
Energy: 0.983426199379801
Energy: 0.9066585469195425
Energy: 0.9606401362809277
Energy: 0.9066585469205732
Energy: 0.9606401362809277
Energy: 0.906658546919027
Energy: 0.9606401362814432
Energy: 0.9066585469205732
Energy: 0.9671052918010591
Energy: 0.950743614267945
Energy: 0.9671052918026053
Energy: 0.950743614267945
Energy: 0.9671052918010591
Energy: 0.950743614266914
Energy: 0.9671052918020898
Energy: 1.0020593822486434
Energy: 0.9269582863934195
Energy: 1.0020593822476123
Energy: 0.9269582863934195
Energy: 1.0020593822486434
Energy: 0.9269582863934195
Energy: 1.002059382248128
Energy: 0.9564373168044276
Energy: 1.181131433790374
Energy: 0.9564373168028812
Energy: 1.1811314337908896
Energy: 0.956437316803912
Energy: 1.181131433790374
Energy: 0.9564373168028812
Energy: 1.0088630074141463
Energy: 0.9606894329378932
Energy: 1.0088630074151772
Energy: 0.9606894329368626
Energy: 1.0088630074136309
Energy: 0.9606894329378932
Energy: 1.0088630074141463
Energy: 0.9983056109008682
Energy: 0.9552988234513003
Energy: 0.9983056109028831
Energy: 0.9552988234523312
Energy: 0.9983056109008682
Energy: 0.9552988234497541
Energy: 0.9983056109023677
Energy: 1.0113565607183048
Energy: 0.9806947708021498
Energy: 1.011356560719851
Energy: 0.9806947708067884
Energy: 1.0113565607183048
Energy: 0.9806947708047268
Energy: 1.0113565607193356
Energy: 0.971758026295507
Energy: 1.1200948523812668
Energy: 0.971758026295507
Energy: 1.1200948523812668
Energy: 0.971758026295507
Energy: 1.120094852382813
Energy: 0.9717580262949916
Energy: 1.1250699866163778
Energy: 0.9826585083334914
Energy: 1.1250699866163778
Energy: 0.9826585083329762
Energy: 1.1250699866158627
Energy: 0.9826585083334914
Energy: 1.1250699866148317
Energy: 1.0184194874790096
Energy: 0.9487308582896288
Energy: 1.0184194874759172
Energy: 0.9487308582891133
Energy: 1.0184194874790096
Energy: 0.9487308582896288
Energy: 1.0184194874754018
Energy: 1.0484516740604266
Energy: 1.1455312999551128
Energy: 1.0484516740588805
Energy: 1.1455312999551128
Energy: 1.0484516740609424
Energy: 1.1455312999551128
Energy: 1.0484516740593959
Energy: 1.0197654148417685
Energy: 1.2994054061609173
Energy: 1.019765414842284
Energy: 1.2994054061593712
Energy: 1.0197654148417685
Energy: 1.2994054061609173
Energy: 1.019765414842284
Energy: 1.1734202755501648
Energy: 1.0093869761001786
Energy: 1.1734202755506802
Energy: 1.0093869761001786
Energy: 1.1734202755501648
Energy: 1.0093869761001786
Energy: 1.1734202755511955
Energy: 1.0305655349797358
Energy: 0.9485481148046065
Energy: 1.030565534980251
Energy: 0.948548114802545
Energy: 1.030565534980251
Energy: 0.9485481148046065
Energy: 1.0305655349797358
Energy: 1.0027906703789813
Energy: 0.975134471724723
Energy: 1.0027906703789813
Energy: 0.9751344717257538
Energy: 1.0027906703784657
Energy: 0.9751344717257538
Energy: 1.0027906703784657
Energy: 0.9712122702778562
Energy: 0.99296798935534
Energy: 0.9712122702778562
Energy: 0.9929679893558555
Energy: 0.9712122702783715
Energy: 0.992967989356371
Energy: 0.9712122702778562
Energy: 1.1263789769933152
Energy: 0.9799089158155808
Energy: 1.1263789769922845
Energy: 0.979908915813519
Energy: 1.126378976990223
Energy: 0.9799089158155808
Energy: 1.1263789769922845
Energy: 0.9682981912839635
Energy: 0.9680681450283489
Energy: 0.9682981912834481
Energy: 0.9680681450268026
Energy: 0.9682981912849943
Energy: 0.9680681450288642
Energy: 0.9682981912839635
Energy: 1.0101562009459346
Energy: 0.9413460177164622
Energy: 1.0101562009459346
Energy: 0.9413460177154316
Energy: 1.0101562009474807
Energy: 0.9413460177154316
Energy: 1.0101562009474807
Energy: 0.9331374340904799
Energy: 1.1808491505665544
Energy: 0.9331374340915106
Energy: 1.1808491505670697
Energy: 0.9331374340909951
Energy: 1.1808491505665544
Energy: 0.9331374340899644
Energy: 1.120813081679327
Energy: 0.927121368155586
Energy: 1.120813081679327
Energy: 0.9271213681550706
Energy: 1.120813081679327
Energy: 0.9271213681550706
Energy: 1.1208130816798425
Energy: 0.9632914791840723
Energy: 0.9190541099951508
Energy: 0.9632914791825261
Energy: 0.9190541099956662
Energy: 0.9632914791830416
Energy: 0.9190541099951508
Energy: 0.9632914791825261
Energy: 1.002611792414128
Energy: 0.9889475567313858
Energy: 1.002611792415159
Energy: 0.9889475567303551
Energy: 1.0026117924146436
Energy: 0.9889475567313858
Energy: 1.002611792415674
Energy: 0.9036653903857484
Energy: 1.2189332401367758
Energy: 0.9036653903867791
Energy: 1.2189332401367758
Energy: 0.9036653903857484
Energy: 1.2189332401367758
Energy: 0.9036653903872943
Energy: 0.9599868116463781
Energy: 0.9273746177117747
Energy: 0.9599868116463781
Energy: 0.927374617713321
Energy: 0.9599868116468935
Energy: 0.9273746177117747
Energy: 0.9599868116463781
Energy: 0.9629031513900829
Energy: 0.9228277729520495
Energy: 0.962903151389052
Energy: 0.9228277729510187
Energy: 0.9629031513900829
Energy: 0.922827772951534
Energy: 0.9629031513885367
Energy: 0.9862214195007643
Energy: 1.2018369728009564
Energy: 0.9862214195012797
Energy: 1.2018369727994105
Energy: 0.9862214195002489
Energy: 1.2018369728009564
Energy: 0.9862214195012797
Energy: 0.9066705203561012
Energy: 0.9525862362366829
Energy: 0.9066705203545551
Energy: 0.9525862362361676
Energy: 0.9066705203555859
Energy: 0.9525862362366829
Energy: 0.9066705203545551
Energy: 0.9375131483900173
Energy: 0.9483184378101814
Energy: 0.9375131483905326
Energy: 0.9483184378106967
Energy: 0.9375131483900173
Energy: 0.948318437809666
Energy: 0.9375131483905326

minimum gb energy = 0.9036653903857484 eV
minimum distance =  2.3179677217218 Angstroms
sigma value = 365


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

Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509557697
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509557697
Energy: 2.57524881348004
Energy: 1.1530799052053626
Energy: 2.8247263825319697
Energy: 1.1530799052042005
Energy: 2.149353058827073
Energy: 1.1530799052053626
Energy: 2.1493530588282352
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 2.57524881348004
Energy: 1.1530799052042005
Energy: 2.328893426857416
Energy: 1.1530799052042005
Energy: 2.1493530588293974
Energy: 1.1530799052042005
Energy: 2.1493530588282352
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 2.2909959090666328
Energy: 1.1530799052042005
Energy: 2.328969077627257
Energy: 1.1530799052053626
Energy: 2.1493530588282352
Energy: 1.1530799052042005
Energy: 2.149353058830559
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509557697
Energy: 2.2909959090073957
Energy: 1.1530799052042005
Energy: 2.32897685390785
Energy: 1.1530799052042005
Energy: 2.149353058827073
Energy: 1.1530799052042005
Energy: 2.1493530588282352
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 2.328976598763439
Energy: 1.1530799052053626
Energy: 2.1493530588282352
Energy: 1.1530799052042005
Energy: 2.1493530588293974
Energy: 1.1530799052053626
Energy: 2.1493530588282352
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 2.1493530588293974
Energy: 1.1530799052042005
Energy: 2.1493530588293974
Energy: 1.1530799052053626
Energy: 2.1493530588282352
Energy: 1.1530799052042005
Energy: 2.1493530588282352
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509557697
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509557697
Energy: 2.149353058827073
Energy: 1.1530799052042005
Energy: 2.1493530588282352
Energy: 1.1530799052042005
Energy: 2.149353058827073
Energy: 1.1530799052042005
Energy: 2.1493530588282352
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 2.1493530588282352
Energy: 1.1530799052042005
Energy: 2.1493530588293974
Energy: 1.1530799052042005
Energy: 2.1493530588293974
Energy: 1.1530799052042005
Energy: 2.1493530588293974
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201681375
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 2.149353058827073
Energy: 1.1530799052042005
Energy: 2.1493530588282352
Energy: 1.1530799052042005
Energy: 2.1493530588282352
Energy: 1.1530799052030385
Energy: 2.1493530588282352
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 0.2997652201692995
Energy: 0.4369700509569317
Energy: 2.149353058827073
Energy: 1.1530799052042005
Energy: 2.149353058827073
Energy: 1.1530799052042005
Energy: 2.149353058825911
Energy: 1.1530799052042005
Energy: 2.149353058827073

minimum gb energy = 0.2997652201681375 eV
minimum distance =  2.31317394377268 Angstroms
sigma value = 23