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 16:37:35     -143.118615         1.052486
BFGS:    1 16:37:35     -143.201174         0.803715
BFGS:    2 16:37:35     -143.250146         0.766607
BFGS:    3 16:37:35     -143.357768         0.643780
BFGS:    4 16:37:35     -143.424295         0.533141
BFGS:    5 16:37:35     -143.478449         0.512277
BFGS:    6 16:37:35     -143.528169         0.538280
BFGS:    7 16:37:35     -143.575428         0.503051
BFGS:    8 16:37:35     -143.618597         0.401228
BFGS:    9 16:37:35     -143.651190         0.203453
BFGS:   10 16:37:35     -143.658727         0.039025
BFGS:   11 16:37:35     -143.659542         0.013837
BFGS:   12 16:37:35     -143.659715         0.001100
BFGS:   13 16:37:35     -143.659715         0.000106
BFGS:   14 16:37:35     -143.659715         0.000029
BFGS:   15 16:37:35     -143.659715         0.000005
BFGS:   16 16:37:35     -143.659715         0.000000
BFGS:   17 16:37:35     -143.659715         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.0646562024228017e-09 eV/Angstrom
Maximum stress component: 8.03538401472501e-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, 7.746300216130112e-33, 8.828503433259086e-33], [-5.433127257141199e-33, 5.313068998624239, -2.5693409288785193e-18], [5.250399230667131e-32, -2.5693409288785787e-18, 5.313068998624239]])
forces =  [[ 3.06465620e-09  3.06465620e-09  3.06465620e-09]
 [-3.06465620e-09 -3.06465620e-09  3.06465620e-09]
 [-3.06465620e-09  3.06465620e-09 -3.06465620e-09]
 [ 3.06465620e-09 -3.06465620e-09 -3.06465620e-09]
 [ 3.06465620e-09  3.06465620e-09 -3.06465620e-09]
 [-3.06465620e-09 -3.06465620e-09 -3.06465620e-09]
 [ 3.06465620e-09 -3.06465620e-09  3.06465620e-09]
 [-3.06465620e-09  3.06465620e-09  3.06465620e-09]
 [-6.60411718e-42 -7.45432025e-10 -7.45432025e-10]
 [-8.12866996e-42  7.45432025e-10 -7.45432025e-10]
 [ 8.12866996e-42 -7.45432025e-10  7.45432025e-10]
 [ 6.60411718e-42  7.45432025e-10  7.45432025e-10]
 [-7.45432025e-10  3.60482616e-28 -7.45432025e-10]
 [-7.45432025e-10 -3.60482616e-28  7.45432025e-10]
 [ 7.45432025e-10  3.60482616e-28 -7.45432025e-10]
 [ 7.45432025e-10 -3.60482616e-28  7.45432025e-10]
 [-7.45432025e-10 -7.45432025e-10  3.60482616e-28]
 [ 7.45432025e-10 -7.45432025e-10  3.60482616e-28]
 [-7.45432025e-10  7.45432025e-10 -3.60482616e-28]
 [ 7.45432025e-10  7.45432025e-10 -3.60482616e-28]]
stress =  [-8.03538401e-11 -8.03538401e-11 -8.03538401e-11 -5.44838051e-26
  7.27743437e-35  3.31684152e-50]
energy per atom =  -7.182985771481974
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0