element(s):
['Al']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233']
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 =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:19       -6.533109        0.0334
BFGS:    1 13:54:20       -6.533152        0.0275
BFGS:    2 13:54:20       -6.533243        0.0002
BFGS:    3 13:54:20       -6.533243        0.0000
BFGS:    4 13:54:20       -6.533243        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.23272516908638e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.228682195962437, 2.5443278347402176e-33, 1.966633088268699e-33], [2.465170346157001e-33, 3.228682195962437, 3.935046406581928e-21], [8.522086415992378e-33, 3.935046406573337e-21, 3.228682195962437]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.23272517e-12 2.23272517e-12 2.23272517e-12 5.10259661e-29
 4.92672839e-35 3.52807315e-51]
energy per atom =  -3.266621447998667
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0