element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0022', '1.5915662']
model name:
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:52:14       -9.696269         0.296938
BFGS:    1 22:52:14       -9.699286         0.234072
BFGS:    2 22:52:15       -9.703871         0.029708
BFGS:    3 22:52:15       -9.703888         0.017611
BFGS:    4 22:52:15       -9.703896         0.012768
BFGS:    5 22:52:15       -9.703917         0.007718
BFGS:    6 22:52:15       -9.703922         0.003050
BFGS:    7 22:52:15       -9.703923         0.000555
BFGS:    8 22:52:15       -9.703923         0.000053
BFGS:    9 22:52:15       -9.703923         0.000001
BFGS:   10 22:52:15       -9.703923         0.000000
BFGS:   11 22:52:15       -9.703923         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.9840515842182378e-32 eV/Angstrom
Maximum stress component: 3.0219098532565215e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.9716686945886743, 2.1316186779389364e-18, 8.912322150652284e-37], [-1.4858343472943372, 2.5735405811447327, 8.285731632267964e-37], [2.0461273613239416e-37, -1.991875555762559e-37, 4.749084082591324]])
forces =  [[ 1.98405158e-32 -1.32172236e-32 -5.93635248e-70]
 [-1.98405158e-32  1.32172236e-32  5.93635248e-70]]
stress =  [-1.78449478e-11 -1.78449478e-11 -3.02190985e-11 -1.00850854e-33
  5.82262677e-34  2.05380760e-27]
energy per atom =  -4.851961301743567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0