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_KimLee_2008_TiC__MO_134206624109_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 21:19:57     -141.807035         6.285295
BFGS:    1 21:19:57     -144.223440         1.799064
BFGS:    2 21:19:57     -144.866850         0.532932
BFGS:    3 21:19:58     -144.917360         0.314983
BFGS:    4 21:19:58     -144.923112         0.301096
BFGS:    5 21:19:58     -144.935733         0.258006
BFGS:    6 21:19:58     -144.955630         0.318820
BFGS:    7 21:19:58     -144.976239         0.301272
BFGS:    8 21:19:58     -144.988063         0.122734
BFGS:    9 21:19:58     -144.989520         0.021207
BFGS:   10 21:19:58     -144.989610         0.001010
BFGS:   11 21:19:59     -144.989611         0.000072
BFGS:   12 21:19:59     -144.989611         0.000002
BFGS:   13 21:19:59     -144.989611         0.000000
BFGS:   14 21:19:59     -144.989611         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.8498261938747263e-10 eV/Angstrom
Maximum stress component: 1.1846792106926025e-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        0.16328401 0.16328401]
 [0.5        0.83671599 0.16328401]
 [0.5        0.16328401 0.83671599]
 [0.5        0.83671599 0.83671599]
 [0.16328401 0.5        0.16328401]
 [0.16328401 0.5        0.83671599]
 [0.83671599 0.5        0.16328401]
 [0.83671599 0.5        0.83671599]
 [0.16328401 0.16328401 0.5       ]
 [0.83671599 0.16328401 0.5       ]
 [0.16328401 0.83671599 0.5       ]
 [0.83671599 0.83671599 0.5       ]]
cellpar =  Cell([[5.172245265849716, 3.8039253223291225e-32, 1.8675847552781222e-32], [1.8556199418307082e-32, 5.172245265849716, -1.76720247991262e-18], [3.582401143540439e-32, -1.7672024799126285e-18, 5.172245265849716]])
forces =  [[-2.58872165e-11 -2.58872165e-11 -2.58872165e-11]
 [ 2.58872165e-11  2.58872165e-11 -2.58872165e-11]
 [ 2.58872165e-11 -2.58872165e-11  2.58872165e-11]
 [-2.58872165e-11  2.58872165e-11  2.58872165e-11]
 [-2.58872165e-11 -2.58872165e-11  2.58872165e-11]
 [ 2.58872165e-11  2.58872165e-11  2.58872165e-11]
 [-2.58872165e-11  2.58872165e-11 -2.58872165e-11]
 [ 2.58872165e-11 -2.58872165e-11 -2.58872165e-11]
 [ 1.70007587e-31  1.84982619e-10  1.84982619e-10]
 [ 4.25018967e-32 -1.84982619e-10  1.84982619e-10]
 [-8.50037934e-32  1.84982619e-10 -1.84982619e-10]
 [ 1.70007587e-31 -1.84982619e-10 -1.84982619e-10]
 [ 1.84982619e-10 -6.32880669e-29  1.84982619e-10]
 [ 1.84982619e-10  6.32030631e-29 -1.84982619e-10]
 [-1.84982619e-10 -6.31605612e-29  1.84982619e-10]
 [-1.84982619e-10  6.34580744e-29 -1.84982619e-10]
 [ 1.84982619e-10  1.84982619e-10 -6.32030631e-29]
 [-1.84982619e-10  1.84982619e-10 -6.32030631e-29]
 [ 1.84982619e-10 -1.84982619e-10  6.32030631e-29]
 [-1.84982619e-10 -1.84982619e-10  6.35430782e-29]]
stress =  [1.18467921e-11 1.18467921e-11 1.18467921e-11 2.25422127e-28
 2.09383935e-59 1.64305964e-60]
energy per atom =  -7.249480532127817
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0