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 16:43:55      -90.657376         2.164373
BFGS:    1 16:43:55      -90.705834         2.427047
BFGS:    2 16:43:56      -91.053333         1.302609
BFGS:    3 16:43:56      -91.145272         1.228650
BFGS:    4 16:43:56      -91.314284         1.080714
BFGS:    5 16:43:56      -91.463840         0.936529
BFGS:    6 16:43:56      -91.593999         0.796136
BFGS:    7 16:43:56      -91.704318         0.659609
BFGS:    8 16:43:56      -91.794740         0.526955
BFGS:    9 16:43:56      -91.865503         0.398136
BFGS:   10 16:43:56      -91.916996         0.273093
BFGS:   11 16:43:56      -91.949675         0.151758
BFGS:   12 16:43:56      -91.964015         0.034067
BFGS:   13 16:43:56      -91.964810         0.004365
BFGS:   14 16:43:57      -91.964812         0.002024
BFGS:   15 16:43:57      -91.964812         0.000300
BFGS:   16 16:43:57      -91.964812         0.000022
BFGS:   17 16:43:58      -91.964812         0.000003
BFGS:   18 16:43:58      -91.964812         0.000000
BFGS:   19 16:43:58      -91.964812         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0564635502296367e-09 eV/Angstrom
Maximum stress component: 7.652438804821381e-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([[5.0353333058812515, 1.445471806412885e-32, -6.586104439399696e-34], [1.1050480299890168e-32, 5.0353333058812515, -3.509370313504251e-18], [7.599849580346549e-34, -3.50937031350425e-18, 5.0353333058812515]])
forces =  [[-1.05646355e-09 -1.05646355e-09 -1.05646355e-09]
 [ 1.05646355e-09  1.05646355e-09 -1.05646355e-09]
 [ 1.05646355e-09 -1.05646355e-09  1.05646355e-09]
 [-1.05646355e-09  1.05646355e-09  1.05646355e-09]
 [-1.05646355e-09 -1.05646355e-09  1.05646355e-09]
 [ 1.05646355e-09  1.05646355e-09  1.05646355e-09]
 [-1.05646355e-09  1.05646355e-09 -1.05646355e-09]
 [ 1.05646355e-09 -1.05646355e-09 -1.05646355e-09]
 [-1.05646355e-09 -1.05646355e-09 -1.05646355e-09]
 [ 1.05646355e-09  1.05646355e-09 -1.05646355e-09]
 [ 1.05646355e-09 -1.05646355e-09  1.05646355e-09]
 [-1.05646355e-09  1.05646355e-09  1.05646355e-09]
 [-1.05646355e-09 -1.05646355e-09  1.05646355e-09]
 [ 1.05646355e-09  1.05646355e-09  1.05646355e-09]
 [-1.05646355e-09  1.05646355e-09 -1.05646355e-09]
 [ 1.05646355e-09 -1.05646355e-09 -1.05646355e-09]]
stress =  [-7.65243880e-11 -7.65243880e-11 -7.65243880e-11  7.14987592e-29
  8.27088169e-60 -1.99146652e-60]
energy per atom =  -5.747800743020745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0