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 22:52:18       -9.366596         0.879342
BFGS:    1 22:52:18       -9.396604         0.710992
BFGS:    2 22:52:18       -9.445381         0.100734
BFGS:    3 22:52:18       -9.446187         0.013488
BFGS:    4 22:52:18       -9.446202         0.000214
BFGS:    5 22:52:19       -9.446202         0.000000
BFGS:    6 22:52:19       -9.446202         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.596796140908443e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.300012963665348, 2.4948879926831904e-33, -3.9211460729321034e-36], [8.767232600213889e-33, 3.300012963665349, -5.154115277882488e-19], [1.4132079667971068e-34, -5.154115277882479e-19, 3.300012963665348]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.59679614e-13  8.59679614e-13  8.59679614e-13 -4.05287339e-30
  2.82832012e-34 -1.90475637e-51]
energy per atom =  -4.723101057605402
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0