element(s):
['Ti']
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:
['4.2228']
model name:
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:19:04      -19.272169         0.306868
BFGS:    1 15:19:04      -19.275987         0.273693
BFGS:    2 15:19:05      -19.290337         0.013118
BFGS:    3 15:19:05      -19.290369         0.000524
BFGS:    4 15:19:05      -19.290369         0.000001
BFGS:    5 15:19:05      -19.290369         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.132129636681344e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.59816183e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.181670642452785, -1.575297169502759e-32, 9.387743522101049e-34], [-1.4925917799032628e-32, 4.181670642452785, -1.4891299962001536e-20], [2.566283681044769e-35, -1.489129996200181e-20, 4.181670642452785]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.13212964e-12 -4.13212964e-12 -4.13212964e-12 -1.39458670e-28
 -1.49146463e-36 -3.12822947e-53]
energy per atom =  -4.822592151124377
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0