element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:43      -13.479033         0.035010
BFGS:    1 15:12:43      -13.479080         0.027357
BFGS:    2 15:12:43      -13.479154         0.001775
BFGS:    3 15:12:43      -13.479155         0.000999
BFGS:    4 15:12:43      -13.479155         0.000000
BFGS:    5 15:12:43      -13.479155         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.082838423988094e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.041597030579839, 2.6062027938540782e-33, 1.6901368615419507e-33], [1.5078731996277724e-32, 4.041597030579839, 3.8890602752060605e-19], [-1.386980947453019e-33, 3.889060275206101e-19, 4.041597030579839]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08283842e-12 -4.08283842e-12 -4.08283842e-12  6.70452779e-31
  2.77367453e-61  1.20165359e-60]
energy per atom =  -3.369788724503236
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0