element(s):
['C']
AFLOW prototype label:
A_hP2_191_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.4677', '1.6162824']
Parameter values for parameter set 1:
['2.4647', '1.3417049']
model name:
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 3.9885]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:57:52      -13.942776         6.320795
BFGS:    1 16:57:52      -14.092634         0.727037
BFGS:    2 16:57:52      -14.106399         0.411039
BFGS:    3 16:57:52      -14.115159         0.322233
BFGS:    4 16:57:52      -14.116220         0.323698
BFGS:    5 16:57:52      -14.124241         0.338175
BFGS:    6 16:57:52      -14.134898         0.525916
BFGS:    7 16:57:52      -14.146491         0.663210
BFGS:    8 16:57:52      -14.158854         0.774668
BFGS:    9 16:57:52      -14.171705         0.870835
BFGS:   10 16:57:52      -14.184836         0.954651
BFGS:   11 16:57:52      -14.198051         1.026115
BFGS:   12 16:57:52      -14.211134         1.083478
BFGS:   13 16:57:52      -14.223861         1.123237
BFGS:   14 16:57:52      -14.236024         1.139417
BFGS:   15 16:57:52      -14.247510         1.121637
BFGS:   16 16:57:52      -14.258531         1.049119
BFGS:   17 16:57:52      -14.270679         0.862193
BFGS:   18 16:57:52      -14.285937         0.555850
BFGS:   19 16:57:52      -14.304190         0.093623
BFGS:   20 16:57:52      -14.305572         0.022165
BFGS:   21 16:57:52      -14.305635         0.002421
BFGS:   22 16:57:52      -14.305636         0.000038
BFGS:   23 16:57:53      -14.305636         0.000000
BFGS:   24 16:57:53      -14.305636         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.3238148857984484e-30 eV/Angstrom
Maximum stress component: 1.18282729305839e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 2.85613884e-35]]
cellpar =  Cell([[2.517202101860202, -3.4766699466085854e-17, 2.998547995053723e-37], [-1.258601050930101, 2.17996096667052, 9.299868474967544e-36], [7.243232158408842e-36, 1.0108721995634654e-36, 2.6806618848586488]])
forces =  [[ 1.32381489e-30 -1.14645732e-30 -5.97064874e-52]
 [-1.32381489e-30  1.14645732e-30  5.97064874e-52]]
stress =  [ 1.18282729e-09  1.18282729e-09 -1.97184784e-11 -4.40818527e-46
 -3.22148795e-45  1.57086706e-25]
energy per atom =  -7.152818053284279
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[2.4647, 0, 0], [-1.23235, 2.1344928127075, 0], [0, 0, 3.3069]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:57:53      -14.182837         1.029567
BFGS:    1 16:57:53      -14.208158         0.594223
BFGS:    2 16:57:53      -14.224663         0.327347
BFGS:    3 16:57:53      -14.226623         0.326988
BFGS:    4 16:57:53      -14.237080         0.355669
BFGS:    5 16:57:53      -14.247600         0.498656
BFGS:    6 16:57:53      -14.258652         0.573621
BFGS:    7 16:57:53      -14.269956         0.602356
BFGS:    8 16:57:53      -14.281028         0.588543
BFGS:    9 16:57:53      -14.291246         0.524757
BFGS:   10 16:57:53      -14.299723         0.383605
BFGS:   11 16:57:53      -14.304254         0.128861
BFGS:   12 16:57:53      -14.305444         0.042379
BFGS:   13 16:57:53      -14.305636         0.001178
BFGS:   14 16:57:54      -14.305636         0.000022
BFGS:   15 16:57:54      -14.305636         0.000000
BFGS:   16 16:57:54      -14.305636         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.2539376946423138e-31 eV/Angstrom
Maximum stress component: 3.8707703358430753e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 7.76187463e-36]]
cellpar =  Cell([[2.517202101435078, -1.7111564837390642e-17, 2.9445254224843817e-38], [-1.258601050717539, 2.1799609663023514, -3.532676098566266e-36], [2.1152059515579675e-36, 5.409393374636438e-36, 2.6806618855957653]])
forces =  [[-5.17115190e-32  1.25393769e-31 -1.49266218e-52]
 [-3.10269114e-32  1.79133956e-32  1.49266218e-52]]
stress =  [-3.87077034e-13 -3.87077034e-13 -2.82229280e-13  4.91895442e-49
  3.66320621e-49 -2.21859035e-28]
energy per atom =  -7.152818053284281
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0