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_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_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 09:34:07      -19.334516        0.6598
BFGS:    1 09:34:07      -19.352272        0.5957
BFGS:    2 09:34:07      -19.414816        0.2311
BFGS:    3 09:34:07      -19.424867        0.0227
BFGS:    4 09:34:07      -19.424960        0.0007
BFGS:    5 09:34:07      -19.424960        0.0000
BFGS:    6 09:34:07      -19.424960        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3311032851302416e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.129506645071952, 7.959444617323799e-33, -1.661016735004282e-32], [1.0199374444836766e-32, 4.129506645071952, 1.2598248910486579e-17], [1.575433676310304e-32, 1.2598248910486555e-17, 4.129506645071952]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.33110329e-11 -1.33110329e-11 -1.33110329e-11  1.49915142e-29
 -7.52927029e-36 -6.84037727e-53]
energy per atom =  -4.856240010812104
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0