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 09:45:17      -13.479033        0.0350
BFGS:    1 09:45:17      -13.479080        0.0274
BFGS:    2 09:45:17      -13.479154        0.0018
BFGS:    3 09:45:17      -13.479155        0.0010
BFGS:    4 09:45:17      -13.479155        0.0000
BFGS:    5 09:45:17      -13.479155        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0821239772245474e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.38592769e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.19131740e-35]]
cellpar =  Cell([[4.041597030579841, -1.1273591706318267e-33, -1.7622321879026446e-32], [-4.711288067460705e-34, 4.041597030579841, 2.938731144139885e-19], [-1.588069788601129e-33, 2.9387311441395577e-19, 4.041597030579841]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08212398e-12 -4.08212398e-12 -4.08212398e-12 -1.64108839e-27
  8.92938704e-62 -3.02980110e-64]
energy per atom =  -3.369788724503237
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0