element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:34:49      -93.264470         2.419935
BFGS:    1 15:34:49      -93.674810         2.245410
BFGS:    2 15:34:49      -94.141133         2.011315
BFGS:    3 15:34:49      -94.487055         1.798874
BFGS:    4 15:34:49      -94.748226         1.607003
BFGS:    5 15:34:49      -94.958395         1.432050
BFGS:    6 15:34:49      -95.139931         1.269781
BFGS:    7 15:34:49      -95.303884         1.116805
BFGS:    8 15:34:49      -95.454229         0.970825
BFGS:    9 15:34:49      -95.591417         0.830362
BFGS:   10 15:34:49      -95.714403         0.694453
BFGS:   11 15:34:49      -95.821671         0.562447
BFGS:   12 15:34:49      -95.911692         0.433864
BFGS:   13 15:34:49      -95.983068         0.308318
BFGS:   14 15:34:49      -96.034501         0.218715
BFGS:   15 15:34:49      -96.064608         0.125590
BFGS:   16 15:34:49      -96.072097         0.044476
BFGS:   17 15:34:49      -96.072530         0.029858
BFGS:   18 15:34:49      -96.073061         0.003614
BFGS:   19 15:34:49      -96.073069         0.000496
BFGS:   20 15:34:49      -96.073069         0.000030
BFGS:   21 15:34:49      -96.073069         0.000001
BFGS:   22 15:34:49      -96.073069         0.000000
Minimization converged after 22 steps.
Maximum force component: 5.62361333181085e-10 eV/Angstrom
Maximum stress component: 1.3309255462015745e-09 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']
basis =  [[0.16159888 0.16159888 0.16159888]
 [0.33840112 0.83840112 0.66159888]
 [0.83840112 0.66159888 0.33840112]
 [0.66159888 0.33840112 0.83840112]
 [0.66159888 0.66159888 0.66159888]
 [0.83840112 0.33840112 0.16159888]
 [0.33840112 0.16159888 0.83840112]
 [0.16159888 0.83840112 0.33840112]
 [0.83840112 0.83840112 0.83840112]
 [0.66159888 0.16159888 0.33840112]
 [0.16159888 0.33840112 0.66159888]
 [0.33840112 0.66159888 0.16159888]
 [0.33840112 0.33840112 0.33840112]
 [0.16159888 0.66159888 0.83840112]
 [0.66159888 0.83840112 0.16159888]
 [0.83840112 0.16159888 0.66159888]]
cellpar =  Cell([[4.690354623389009, 4.961137072467387e-37, 0.0], [2.742072194998054e-37, 4.690354623389009, 0.0], [0.0, 0.0, 4.690354623389009]])
forces =  [[ 5.62361333e-10  5.62361333e-10  5.62361333e-10]
 [-5.62361333e-10 -5.62361333e-10  5.62361333e-10]
 [-5.62361333e-10  5.62361333e-10 -5.62361333e-10]
 [ 5.62361333e-10 -5.62361333e-10 -5.62361333e-10]
 [ 5.62361333e-10  5.62361333e-10  5.62361333e-10]
 [-5.62361333e-10 -5.62361333e-10  5.62361333e-10]
 [-5.62361333e-10  5.62361333e-10 -5.62361333e-10]
 [ 5.62361333e-10 -5.62361333e-10 -5.62361333e-10]
 [-5.62361333e-10 -5.62361333e-10 -5.62361333e-10]
 [ 5.62361333e-10  5.62361333e-10 -5.62361333e-10]
 [ 5.62361333e-10 -5.62361333e-10  5.62361333e-10]
 [-5.62361333e-10  5.62361333e-10  5.62361333e-10]
 [-5.62361333e-10 -5.62361333e-10 -5.62361333e-10]
 [ 5.62361333e-10  5.62361333e-10 -5.62361333e-10]
 [ 5.62361333e-10 -5.62361333e-10  5.62361333e-10]
 [-5.62361333e-10  5.62361333e-10  5.62361333e-10]]
stress =  [-1.33092555e-09 -1.33092555e-09 -1.33092555e-09  0.00000000e+00
  0.00000000e+00  1.49409369e-33]
energy per atom =  -6.004566802887145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0