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:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== 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 16:38:06     -141.807035         6.285296
BFGS:    1 16:38:06     -144.223440         1.799064
BFGS:    2 16:38:06     -144.866850         0.532930
BFGS:    3 16:38:06     -144.917360         0.314984
BFGS:    4 16:38:06     -144.923112         0.301097
BFGS:    5 16:38:06     -144.935733         0.258006
BFGS:    6 16:38:06     -144.955629         0.318813
BFGS:    7 16:38:06     -144.976239         0.301264
BFGS:    8 16:38:06     -144.988063         0.122739
BFGS:    9 16:38:06     -144.989520         0.021208
BFGS:   10 16:38:06     -144.989610         0.001010
BFGS:   11 16:38:06     -144.989611         0.000072
BFGS:   12 16:38:06     -144.989611         0.000002
BFGS:   13 16:38:06     -144.989611         0.000000
BFGS:   14 16:38:06     -144.989611         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.8523450270447203e-10 eV/Angstrom
Maximum stress component: 1.1864358675495848e-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 =  [[0.2675626  0.2675626  0.2675626 ]
 [0.7324374  0.7324374  0.2675626 ]
 [0.7324374  0.2675626  0.7324374 ]
 [0.2675626  0.7324374  0.7324374 ]
 [0.2675626  0.2675626  0.7324374 ]
 [0.7324374  0.7324374  0.7324374 ]
 [0.2675626  0.7324374  0.2675626 ]
 [0.7324374  0.2675626  0.2675626 ]
 [0.5        0.16328402 0.16328402]
 [0.5        0.83671598 0.16328402]
 [0.5        0.16328402 0.83671598]
 [0.5        0.83671598 0.83671598]
 [0.16328402 0.5        0.16328402]
 [0.16328402 0.5        0.83671598]
 [0.83671598 0.5        0.16328402]
 [0.83671598 0.5        0.83671598]
 [0.16328402 0.16328402 0.5       ]
 [0.83671598 0.16328402 0.5       ]
 [0.16328402 0.83671598 0.5       ]
 [0.83671598 0.83671598 0.5       ]]
cellpar =  Cell([[5.172245190922332, 1.1012051226873672e-32, -3.940611293180176e-32], [1.0644392223600225e-33, 5.172245190922332, -1.319012682521011e-17], [-1.1544408545289927e-32, -1.3190126825210121e-17, 5.172245190922332]])
forces =  [[-2.58829886e-11 -2.58829886e-11 -2.58829886e-11]
 [ 2.58829886e-11  2.58829886e-11 -2.58829886e-11]
 [ 2.58829886e-11 -2.58829886e-11  2.58829886e-11]
 [-2.58829886e-11  2.58829886e-11  2.58829886e-11]
 [-2.58829886e-11 -2.58829886e-11  2.58829886e-11]
 [ 2.58829886e-11  2.58829886e-11  2.58829886e-11]
 [-2.58829886e-11  2.58829886e-11 -2.58829886e-11]
 [ 2.58829886e-11 -2.58829886e-11 -2.58829886e-11]
 [ 8.50037922e-32  1.85234503e-10  1.85234503e-10]
 [ 4.25018961e-31 -1.85234503e-10  1.85234503e-10]
 [-7.96910551e-32  1.85234503e-10 -1.85234503e-10]
 [ 5.95026545e-31 -1.85234503e-10 -1.85234503e-10]
 [ 1.85234503e-10 -4.73039050e-28  1.85234503e-10]
 [ 1.85234503e-10  4.72635282e-28 -1.85234503e-10]
 [-1.85234503e-10 -4.72109321e-28  1.85234503e-10]
 [-1.85234503e-10  4.73060301e-28 -1.85234503e-10]
 [ 1.85234503e-10  1.85234503e-10 -4.72380271e-28]
 [-1.85234503e-10  1.85234503e-10 -4.72242139e-28]
 [ 1.85234503e-10 -1.85234503e-10  4.72592780e-28]
 [-1.85234503e-10 -1.85234503e-10  4.73060301e-28]]
stress =  [1.18643587e-11 1.18643587e-11 1.18643587e-11 5.46641809e-29
 6.14328958e-34 1.46043058e-50]
energy per atom =  -7.249480531255038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0