element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:01:26      -87.476566        2.5022
BFGS:    1 16:01:26      -87.646838        2.2622
BFGS:    2 16:01:26      -87.856659        1.9361
BFGS:    3 16:01:26      -88.034435        1.6212
BFGS:    4 16:01:26      -88.181258        1.3170
BFGS:    5 16:01:26      -88.298190        1.0233
BFGS:    6 16:01:26      -88.386265        0.7398
BFGS:    7 16:01:26      -88.446486        0.4662
BFGS:    8 16:01:26      -88.479829        0.2022
BFGS:    9 16:01:26      -88.487784        0.0063
BFGS:   10 16:01:26      -88.487792        0.0004
BFGS:   11 16:01:26      -88.487792        0.0003
BFGS:   12 16:01:26      -88.487792        0.0001
BFGS:   13 16:01:26      -88.487792        0.0000
BFGS:   14 16:01:26      -88.487792        0.0000
BFGS:   15 16:01:27      -88.487792        0.0000
BFGS:   16 16:01:27      -88.487792        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.2152538992040573e-10 eV/Angstrom
Maximum stress component: 1.763373266351503e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.76320496e-31 5.56407273e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.82111032e-31 2.20298478e-01]
 [1.00000000e+00 9.75478424e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.5551610932714928, -9.367087918119005e-18, 5.207102651153054e-38], [-1.2775805466357464, 2.212834417534733, 5.588482163787415e-33], [2.4397599596102706e-36, -2.686849579059585e-30, 36.41689991785045]])
forces =  [[ 2.23962966e-31  1.63442076e-41 -2.21525390e-10]
 [-2.51958337e-31  2.42447022e-31  2.21525390e-10]
 [-2.79953707e-32  3.39425831e-31 -2.21525390e-10]
 [-2.79953707e-31  2.90936427e-31  2.21525390e-10]
 [ 5.59907415e-31  1.93957618e-31 -2.21525390e-10]
 [-2.23962966e-31  1.93957618e-31  2.21525390e-10]
 [-5.59907415e-31  1.63442104e-41 -2.21525390e-10]
 [ 6.71888898e-31 -4.84894045e-31  2.21525390e-10]
 [-7.27879639e-31  9.69788090e-32 -2.21525390e-10]
 [ 6.71888898e-31 -3.87915236e-31  2.21525390e-10]
 [-5.59907415e-31  1.63442104e-41 -2.21525390e-10]
 [ 6.71888898e-31 -3.87915236e-31  2.21525390e-10]]
stress =  [-1.76337327e-11 -1.76337327e-11  1.77177329e-22 -1.30102198e-42
  1.17989541e-48 -8.84541582e-27]
energy per atom =  -7.373982668920011
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0