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 17:33:02     -143.118615         1.052486
BFGS:    1 17:33:03     -143.201174         0.803715
BFGS:    2 17:33:03     -143.250146         0.766607
BFGS:    3 17:33:03     -143.357768         0.643780
BFGS:    4 17:33:03     -143.424295         0.533141
BFGS:    5 17:33:03     -143.478449         0.512277
BFGS:    6 17:33:04     -143.528169         0.538280
BFGS:    7 17:33:04     -143.575428         0.503051
BFGS:    8 17:33:04     -143.618597         0.401228
BFGS:    9 17:33:04     -143.651190         0.203453
BFGS:   10 17:33:05     -143.658727         0.039025
BFGS:   11 17:33:05     -143.659542         0.013837
BFGS:   12 17:33:05     -143.659715         0.001100
BFGS:   13 17:33:05     -143.659715         0.000106
BFGS:   14 17:33:05     -143.659715         0.000029
BFGS:   15 17:33:06     -143.659715         0.000005
BFGS:   16 17:33:06     -143.659715         0.000000
BFGS:   17 17:33:06     -143.659715         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.0646506345386824e-09 eV/Angstrom
Maximum stress component: 8.035379036371271e-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, 2.2598714858409393e-32, -8.061443077930654e-34], [1.4826655012155515e-32, 5.313068998624239, -5.1980863986345135e-18], [-1.1539609258166676e-33, -5.1980863986345135e-18, 5.313068998624239]])
forces =  [[ 3.06465063e-09  3.06465063e-09  3.06465063e-09]
 [-3.06465063e-09 -3.06465063e-09  3.06465063e-09]
 [-3.06465063e-09  3.06465063e-09 -3.06465063e-09]
 [ 3.06465063e-09 -3.06465063e-09 -3.06465063e-09]
 [ 3.06465063e-09  3.06465063e-09 -3.06465063e-09]
 [-3.06465063e-09 -3.06465063e-09 -3.06465063e-09]
 [ 3.06465063e-09 -3.06465063e-09  3.06465063e-09]
 [-3.06465063e-09  3.06465063e-09  3.06465063e-09]
 [-4.36590877e-32 -7.45433673e-10 -7.45433673e-10]
 [-4.36590877e-32  7.45433673e-10 -7.45433673e-10]
 [-2.24211077e-42 -7.45433673e-10  7.45433673e-10]
 [-4.36590877e-32  7.45433673e-10  7.45433673e-10]
 [-7.45433673e-10  7.29345055e-28 -7.45433673e-10]
 [-7.45433673e-10 -7.29476032e-28  7.45433673e-10]
 [ 7.45433673e-10  7.29301396e-28 -7.45433673e-10]
 [ 7.45433673e-10 -7.29345055e-28  7.45433673e-10]
 [-7.45433673e-10 -7.45433673e-10  7.29345055e-28]
 [ 7.45433673e-10 -7.45433673e-10  7.29192248e-28]
 [-7.45433673e-10  7.45433673e-10 -7.29301396e-28]
 [ 7.45433673e-10  7.45433673e-10 -7.29345055e-28]]
stress =  [-8.03537904e-11 -8.03537904e-11 -8.03537904e-11 -3.07517376e-28
  3.27484547e-34 -1.28965406e-51]
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