element(s):
['Ti']
AFLOW prototype label:
A_hP3_191_ad
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:
['4.7179', '0.60942368']
model name:
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.7179, 0, 0], [-2.35895, 4.0858212525146, 0], [0, 0, 2.8752]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:41:07      -14.159895        0.4665
BFGS:    1 09:41:07      -14.167762        0.4007
BFGS:    2 09:41:07      -14.187003        0.0426
BFGS:    3 09:41:07      -14.187111        0.0274
BFGS:    4 09:41:07      -14.187127        0.0257
BFGS:    5 09:41:07      -14.187205        0.0008
BFGS:    6 09:41:07      -14.187205        0.0001
BFGS:    7 09:41:07      -14.187205        0.0000
Minimization converged after 7 steps.
Maximum force component: 9.951060498588479e-32 eV/Angstrom
Maximum stress component: 4.463476747257744e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.661098488360913, 1.7835979903101602e-17, 6.956601001761648e-41], [-2.3305492441804563, 4.036629700461795, -7.032661203744117e-37], [1.5959879835263623e-37, 2.713405063246615e-37, 2.829904363863745]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.91508249e-32 -9.95106050e-32  1.81673252e-33]
 [-3.83016497e-32  9.95106050e-32 -1.73365626e-68]]
stress =  [-3.64843763e-10 -3.64843763e-10 -4.46347675e-10 -4.04632775e-34
 -7.78716138e-35 -7.78205815e-26]
energy per atom =  -4.729068422688685
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0