element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:37:44     -143.118615         1.052486
BFGS:    1 16:37:44     -143.201174         0.803715
BFGS:    2 16:37:44     -143.250146         0.766607
BFGS:    3 16:37:44     -143.357768         0.643780
BFGS:    4 16:37:44     -143.424295         0.533141
BFGS:    5 16:37:44     -143.478449         0.512277
BFGS:    6 16:37:44     -143.528169         0.538280
BFGS:    7 16:37:44     -143.575428         0.503051
BFGS:    8 16:37:44     -143.618597         0.401228
BFGS:    9 16:37:44     -143.651190         0.203453
BFGS:   10 16:37:44     -143.658727         0.039025
BFGS:   11 16:37:44     -143.659542         0.013837
BFGS:   12 16:37:44     -143.659715         0.001100
BFGS:   13 16:37:44     -143.659715         0.000106
BFGS:   14 16:37:44     -143.659715         0.000029
BFGS:   15 16:37:44     -143.659715         0.000005
BFGS:   16 16:37:44     -143.659715         0.000000
BFGS:   17 16:37:45     -143.659715         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.0646532224569895e-09 eV/Angstrom
Maximum stress component: 8.035331858266005e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.2607143  0.2607143  0.2607143 ]
 [0.7392857  0.7392857  0.2607143 ]
 [0.7392857  0.2607143  0.7392857 ]
 [0.2607143  0.7392857  0.7392857 ]
 [0.2607143  0.2607143  0.7392857 ]
 [0.7392857  0.7392857  0.7392857 ]
 [0.2607143  0.7392857  0.2607143 ]
 [0.7392857  0.2607143  0.2607143 ]
 [0.5        0.14926012 0.14926012]
 [0.5        0.85073988 0.14926012]
 [0.5        0.14926012 0.85073988]
 [0.5        0.85073988 0.85073988]
 [0.14926012 0.5        0.14926012]
 [0.14926012 0.5        0.85073988]
 [0.85073988 0.5        0.14926012]
 [0.85073988 0.5        0.85073988]
 [0.14926012 0.14926012 0.5       ]
 [0.85073988 0.14926012 0.5       ]
 [0.14926012 0.85073988 0.5       ]
 [0.85073988 0.85073988 0.5       ]]
cellpar =  Cell([[5.313068998624239, -6.129299760766833e-33, -1.5806900790858304e-33], [-1.0125733947515129e-32, 5.313068998624239, -3.815614513357752e-20], [1.573021692213913e-33, -3.815614513358396e-20, 5.313068998624239]])
forces =  [[ 3.06465322e-09  3.06465322e-09  3.06465322e-09]
 [-3.06465322e-09 -3.06465322e-09  3.06465322e-09]
 [-3.06465322e-09  3.06465322e-09 -3.06465322e-09]
 [ 3.06465322e-09 -3.06465322e-09 -3.06465322e-09]
 [ 3.06465322e-09  3.06465322e-09 -3.06465322e-09]
 [-3.06465322e-09 -3.06465322e-09 -3.06465322e-09]
 [ 3.06465322e-09 -3.06465322e-09  3.06465322e-09]
 [-3.06465322e-09  3.06465322e-09  3.06465322e-09]
 [-1.09147719e-32 -7.45443226e-10 -7.45443226e-10]
 [-3.27443158e-32  7.45443226e-10 -7.45443226e-10]
 [-4.36590877e-32 -7.45443226e-10  7.45443226e-10]
 [-1.19997715e-42  7.45443226e-10  7.45443226e-10]
 [-7.45443226e-10  5.30978916e-30 -7.45443226e-10]
 [-7.45443226e-10 -5.35344825e-30  7.45443226e-10]
 [ 7.45443226e-10  5.30978916e-30 -7.45443226e-10]
 [ 7.45443226e-10 -5.35344825e-30  7.45443226e-10]
 [-7.45443226e-10 -7.45443226e-10  5.34799086e-30]
 [ 7.45443226e-10 -7.45443226e-10  5.33161870e-30]
 [-7.45443226e-10  7.45443226e-10 -5.29887439e-30]
 [ 7.45443226e-10  7.45443226e-10 -5.35344825e-30]]
stress =  [-8.03533186e-11 -8.03533186e-11 -8.03533186e-11 -2.91170240e-30
 -1.45548687e-33  1.60246790e-52]
energy per atom =  -7.182985771481964
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0