element(s):
['Ti']
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:
['3.397']
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 =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:16:04       -9.366596         0.879342
BFGS:    1 17:16:04       -9.396604         0.710992
BFGS:    2 17:16:04       -9.445381         0.100734
BFGS:    3 17:16:04       -9.446187         0.013488
BFGS:    4 17:16:04       -9.446202         0.000214
BFGS:    5 17:16:04       -9.446202         0.000000
BFGS:    6 17:16:04       -9.446202         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.590570930007273e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3000129636653472, -6.859797125578851e-33, 7.521711791177817e-33], [-1.0099510235560337e-32, 3.300012963665348, -1.4199317589494509e-18], [-2.3519700080073344e-33, -1.4199317589494467e-18, 3.3000129636653472]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [8.59057093e-13 8.59057093e-13 8.59057093e-13 5.69984783e-29
 1.17762655e-35 2.46863976e-51]
energy per atom =  -4.7231010576054
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0