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_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 12:58:28     -143.118615         1.052486
BFGS:    1 12:58:28     -143.201174         0.803715
BFGS:    2 12:58:29     -143.250146         0.766607
BFGS:    3 12:58:29     -143.357768         0.643780
BFGS:    4 12:58:29     -143.424295         0.533141
BFGS:    5 12:58:29     -143.478449         0.512277
BFGS:    6 12:58:29     -143.528169         0.538280
BFGS:    7 12:58:29     -143.575428         0.503051
BFGS:    8 12:58:29     -143.618597         0.401228
BFGS:    9 12:58:30     -143.651190         0.203453
BFGS:   10 12:58:30     -143.658727         0.039025
BFGS:   11 12:58:30     -143.659542         0.013837
BFGS:   12 12:58:30     -143.659715         0.001100
BFGS:   13 12:58:30     -143.659715         0.000106
BFGS:   14 12:58:30     -143.659715         0.000029
BFGS:   15 12:58:30     -143.659715         0.000005
BFGS:   16 12:58:31     -143.659715         0.000000
BFGS:   17 12:58:31     -143.659715         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.0646462508924594e-09 eV/Angstrom
Maximum stress component: 8.035303729060967e-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([[5.31306899862424, 3.3747370783463984e-32, -4.3313744132584065e-32], [-2.0349315710913857e-32, 5.31306899862424, -1.171672209701747e-17], [-5.00813138104304e-32, -1.1716722097017442e-17, 5.31306899862424]])
forces =  [[ 3.06464625e-09  3.06464625e-09  3.06464625e-09]
 [-3.06464625e-09 -3.06464625e-09  3.06464625e-09]
 [-3.06464625e-09  3.06464625e-09 -3.06464625e-09]
 [ 3.06464625e-09 -3.06464625e-09 -3.06464625e-09]
 [ 3.06464625e-09  3.06464625e-09 -3.06464625e-09]
 [-3.06464625e-09 -3.06464625e-09 -3.06464625e-09]
 [ 3.06464625e-09 -3.06464625e-09  3.06464625e-09]
 [-3.06464625e-09  3.06464625e-09  3.06464625e-09]
 [ 9.88168479e-42 -7.45443758e-10 -7.45443758e-10]
 [ 4.17151224e-42  7.45443758e-10 -7.45443758e-10]
 [-4.17151224e-42 -7.45443758e-10  7.45443758e-10]
 [-9.88168479e-42  7.45443758e-10  7.45443758e-10]
 [-7.45443758e-10  1.64390061e-27 -7.45443758e-10]
 [-7.45443758e-10 -1.64390061e-27  7.45443758e-10]
 [ 7.45443758e-10  1.64390061e-27 -7.45443758e-10]
 [ 7.45443758e-10 -1.64390061e-27  7.45443758e-10]
 [-7.45443758e-10 -7.45443758e-10  1.64390061e-27]
 [ 7.45443758e-10 -7.45443758e-10  1.64390061e-27]
 [-7.45443758e-10  7.45443758e-10 -1.64390061e-27]
 [ 7.45443758e-10  7.45443758e-10 -1.64390061e-27]]
stress =  [-8.03530373e-11 -8.03530373e-11 -8.03530373e-11  3.89374337e-26
 -2.18323031e-34  4.98644156e-50]
energy per atom =  -7.182985771481965
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0