element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:57:35      -90.657376         2.164373
BFGS:    1 15:57:35      -90.705834         2.427047
BFGS:    2 15:57:35      -91.053333         1.302609
BFGS:    3 15:57:35      -91.145272         1.228650
BFGS:    4 15:57:35      -91.314284         1.080714
BFGS:    5 15:57:35      -91.463840         0.936529
BFGS:    6 15:57:35      -91.593999         0.796136
BFGS:    7 15:57:35      -91.704318         0.659609
BFGS:    8 15:57:35      -91.794740         0.526955
BFGS:    9 15:57:35      -91.865503         0.398136
BFGS:   10 15:57:35      -91.916996         0.273093
BFGS:   11 15:57:35      -91.949675         0.151758
BFGS:   12 15:57:35      -91.964015         0.034067
BFGS:   13 15:57:35      -91.964810         0.004365
BFGS:   14 15:57:35      -91.964812         0.002024
BFGS:   15 15:57:35      -91.964812         0.000300
BFGS:   16 15:57:35      -91.964812         0.000022
BFGS:   17 15:57:35      -91.964812         0.000003
BFGS:   18 15:57:35      -91.964812         0.000000
BFGS:   19 15:57:35      -91.964812         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0564264565421745e-09 eV/Angstrom
Maximum stress component: 7.652585073571878e-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 =  [[0.16442925 0.16442925 0.16442925]
 [0.83557075 0.83557075 0.16442925]
 [0.83557075 0.16442925 0.83557075]
 [0.16442925 0.83557075 0.83557075]
 [0.16442925 0.16442925 0.83557075]
 [0.83557075 0.83557075 0.83557075]
 [0.16442925 0.83557075 0.16442925]
 [0.83557075 0.16442925 0.16442925]
 [0.66442925 0.66442925 0.66442925]
 [0.33557075 0.33557075 0.66442925]
 [0.33557075 0.66442925 0.33557075]
 [0.66442925 0.33557075 0.33557075]
 [0.66442925 0.66442925 0.33557075]
 [0.33557075 0.33557075 0.33557075]
 [0.66442925 0.33557075 0.66442925]
 [0.33557075 0.66442925 0.66442925]]
cellpar =  Cell([[5.035333305881251, 2.822535150396324e-32, 7.79974724332263e-33], [1.287381541066625e-32, 5.035333305881251, -1.655073862373371e-18], [-9.097127215505991e-33, -1.6550738623733745e-18, 5.035333305881251]])
forces =  [[-1.05642646e-09 -1.05642646e-09 -1.05642646e-09]
 [ 1.05642646e-09  1.05642646e-09 -1.05642646e-09]
 [ 1.05642646e-09 -1.05642646e-09  1.05642646e-09]
 [-1.05642646e-09  1.05642646e-09  1.05642646e-09]
 [-1.05642646e-09 -1.05642646e-09  1.05642646e-09]
 [ 1.05642646e-09  1.05642646e-09  1.05642646e-09]
 [-1.05642646e-09  1.05642646e-09 -1.05642646e-09]
 [ 1.05642646e-09 -1.05642646e-09 -1.05642646e-09]
 [-1.05642646e-09 -1.05642646e-09 -1.05642646e-09]
 [ 1.05642646e-09  1.05642646e-09 -1.05642646e-09]
 [ 1.05642646e-09 -1.05642646e-09  1.05642646e-09]
 [-1.05642646e-09  1.05642646e-09  1.05642646e-09]
 [-1.05642646e-09 -1.05642646e-09  1.05642646e-09]
 [ 1.05642646e-09  1.05642646e-09  1.05642646e-09]
 [-1.05642646e-09  1.05642646e-09 -1.05642646e-09]
 [ 1.05642646e-09 -1.05642646e-09 -1.05642646e-09]]
stress =  [-7.65258507e-11 -7.65258507e-11 -7.65258507e-11  2.15174146e-28
 -1.21535743e-34  8.57496139e-52]
energy per atom =  -5.747800743020743
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0