element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:15:18     -117.554669         3.320143
BFGS:    1 20:15:18     -117.509769         2.510561
BFGS:    2 20:15:18     -117.708724         1.000451
BFGS:    3 20:15:18     -117.725865         0.637954
BFGS:    4 20:15:18     -117.734614         0.278198
BFGS:    5 20:15:18     -117.736383         0.263159
BFGS:    6 20:15:18     -117.747733         0.107828
BFGS:    7 20:15:18     -117.749752         0.092315
BFGS:    8 20:15:18     -117.751703         0.045028
BFGS:    9 20:15:18     -117.752217         0.020690
BFGS:   10 20:15:18     -117.752285         0.004202
BFGS:   11 20:15:18     -117.752288         0.002040
BFGS:   12 20:15:18     -117.752288         0.002000
BFGS:   13 20:15:18     -117.752288         0.001767
BFGS:   14 20:15:18     -117.752289         0.001449
BFGS:   15 20:15:18     -117.752289         0.001519
BFGS:   16 20:15:18     -117.752290         0.000774
BFGS:   17 20:15:18     -117.752290         0.000151
BFGS:   18 20:15:18     -117.752290         0.000013
BFGS:   19 20:15:18     -117.752290         0.000001
BFGS:   20 20:15:18     -117.752290         0.000000
BFGS:   21 20:15:18     -117.752290         0.000000
BFGS:   22 20:15:18     -117.752290         0.000000
BFGS:   23 20:15:18     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.174416229878574e-09 eV/Angstrom
Maximum stress component: 5.426777677326763e-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']
basis =  [[0.00000000e+00 0.00000000e+00 4.63908520e-02]
 [0.00000000e+00 0.00000000e+00 5.46390852e-01]
 [3.04483661e-36 6.43359836e-35 9.53609148e-01]
 [9.44575737e-35 3.64200949e-35 4.53609148e-01]
 [3.33333333e-01 6.66666667e-01 7.82933828e-02]
 [6.66666667e-01 3.33333333e-01 5.78293383e-01]
 [6.66666667e-01 3.33333333e-01 9.21706617e-01]
 [3.33333333e-01 6.66666667e-01 4.21706617e-01]
 [3.33333333e-01 6.66666667e-01 1.70105234e-01]
 [6.66666667e-01 3.33333333e-01 6.70105234e-01]
 [6.66666667e-01 3.33333333e-01 8.29894766e-01]
 [3.33333333e-01 6.66666667e-01 3.29894766e-01]
 [3.33333333e-01 6.66666667e-01 7.96212279e-01]
 [6.66666667e-01 3.33333333e-01 2.96212279e-01]
 [6.66666667e-01 3.33333333e-01 2.03787721e-01]
 [3.33333333e-01 6.66666667e-01 7.03787721e-01]]
cellpar =  Cell([[2.514649891407048, 1.5571921822048996e-18, -1.002235813821071e-36], [-1.257324945703524, 2.1777506875822827, -1.9989656045806347e-36], [-9.722386259601795e-36, -2.539466327939326e-35, 16.45460975699188]])
forces =  [[ 2.06636353e-31 -7.15809324e-32  2.74726947e-09]
 [-8.78204501e-32  4.47380828e-32  2.74726947e-09]
 [-4.13272706e-32  7.15809324e-32 -2.74726947e-09]
 [ 1.49811356e-31 -4.47380828e-32 -2.74726947e-09]
 [ 1.87834875e-45 -1.43161865e-31 -3.17441623e-09]
 [-4.95927247e-31  1.43161865e-31 -3.17441623e-09]
 [-3.30618165e-31  1.43161865e-31  3.17441623e-09]
 [-1.87563857e-45 -4.89912751e-45  3.17441623e-09]
 [ 8.67872683e-31 -6.44228392e-31  5.75134995e-10]
 [ 1.03318177e-31 -1.78952331e-31  5.75134995e-10]
 [ 1.75640900e-31 -5.36856993e-32 -5.75134995e-10]
 [ 4.95927247e-31  2.86323730e-31 -5.75134995e-10]
 [-1.65309082e-31  3.76464747e-46 -2.43998703e-10]
 [-1.65309082e-31  2.86323730e-31 -2.43998703e-10]
 [-1.65309082e-31 -3.76669481e-46  2.43998703e-10]
 [ 5.16590883e-32 -2.32638030e-31  2.43998703e-10]]
stress =  [ 1.41849735e-11  1.41849735e-11  5.42677768e-11 -4.58631046e-33
 -1.58874455e-33  2.95055595e-27]
energy per atom =  -7.359518115483
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0