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:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 14:18:56     -143.118615        1.0525
BFGS:    1 14:18:56     -143.201174        0.8037
BFGS:    2 14:18:56     -143.250146        0.7666
BFGS:    3 14:18:56     -143.357768        0.6438
BFGS:    4 14:18:56     -143.424295        0.5331
BFGS:    5 14:18:56     -143.478449        0.5123
BFGS:    6 14:18:56     -143.528169        0.5383
BFGS:    7 14:18:56     -143.575428        0.5031
BFGS:    8 14:18:56     -143.618597        0.4012
BFGS:    9 14:18:56     -143.651190        0.2035
BFGS:   10 14:18:56     -143.658727        0.0390
BFGS:   11 14:18:56     -143.659542        0.0138
BFGS:   12 14:18:56     -143.659715        0.0011
BFGS:   13 14:18:56     -143.659715        0.0001
BFGS:   14 14:18:56     -143.659715        0.0000
BFGS:   15 14:18:56     -143.659715        0.0000
BFGS:   16 14:18:56     -143.659715        0.0000
BFGS:   17 14:18:56     -143.659715        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.0646430642054337e-09 eV/Angstrom
Maximum stress component: 8.035491739448218e-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([[5.313068998624238, 1.2580498807615367e-34, 1.2854077849789923e-32], [-1.3472864445302358e-32, 5.313068998624238, -2.835746798732873e-18], [6.035368197275963e-33, -2.835746798732864e-18, 5.313068998624238]])
forces =  [[ 3.06464306e-09  3.06464306e-09  3.06464306e-09]
 [-3.06464306e-09 -3.06464306e-09  3.06464306e-09]
 [-3.06464306e-09  3.06464306e-09 -3.06464306e-09]
 [ 3.06464306e-09 -3.06464306e-09 -3.06464306e-09]
 [ 3.06464306e-09  3.06464306e-09 -3.06464306e-09]
 [-3.06464306e-09 -3.06464306e-09 -3.06464306e-09]
 [ 3.06464306e-09 -3.06464306e-09  3.06464306e-09]
 [-3.06464306e-09  3.06464306e-09  3.06464306e-09]
 [-4.36590877e-32 -7.45385911e-10 -7.45385911e-10]
 [ 1.30977263e-31  7.45385911e-10 -7.45385911e-10]
 [-4.36590877e-32 -7.45385911e-10  7.45385911e-10]
 [ 8.73181754e-32  7.45385911e-10  7.45385911e-10]
 [-7.45385911e-10  3.97791512e-28 -7.45385911e-10]
 [-7.45385911e-10 -3.97922489e-28  7.45385911e-10]
 [ 7.45385911e-10  3.97747852e-28 -7.45385911e-10]
 [ 7.45385911e-10 -3.97704193e-28  7.45385911e-10]
 [-7.45385911e-10 -7.45385911e-10  3.97791512e-28]
 [ 7.45385911e-10 -7.45385911e-10  3.97922489e-28]
 [-7.45385911e-10  7.45385911e-10 -3.97922489e-28]
 [ 7.45385911e-10  7.45385911e-10 -3.97747852e-28]]
stress =  [-8.03549174e-11 -8.03549174e-11 -8.03549174e-11  3.69898855e-27
 -3.25719683e-59  4.00507478e-59]
energy per atom =  -7.1829857714819685
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0