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 17:43:08      -90.657376        2.1644
BFGS:    1 17:43:09      -90.705834        2.4270
BFGS:    2 17:43:09      -91.053333        1.3026
BFGS:    3 17:43:09      -91.145272        1.2286
BFGS:    4 17:43:09      -91.314284        1.0807
BFGS:    5 17:43:09      -91.463840        0.9365
BFGS:    6 17:43:09      -91.593999        0.7961
BFGS:    7 17:43:09      -91.704318        0.6596
BFGS:    8 17:43:09      -91.794740        0.5270
BFGS:    9 17:43:09      -91.865503        0.3981
BFGS:   10 17:43:09      -91.916996        0.2731
BFGS:   11 17:43:09      -91.949675        0.1518
BFGS:   12 17:43:09      -91.964015        0.0341
BFGS:   13 17:43:09      -91.964810        0.0044
BFGS:   14 17:43:09      -91.964812        0.0020
BFGS:   15 17:43:09      -91.964812        0.0003
BFGS:   16 17:43:09      -91.964812        0.0000
BFGS:   17 17:43:09      -91.964812        0.0000
BFGS:   18 17:43:09      -91.964812        0.0000
BFGS:   19 17:43:09      -91.964812        0.0000
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