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_2017_NiAlTi__MO_478967255435_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 14:20:06      -14.159895         0.466544
BFGS:    1 14:20:06      -14.167762         0.400700
BFGS:    2 14:20:06      -14.187003         0.042604
BFGS:    3 14:20:06      -14.187111         0.027369
BFGS:    4 14:20:06      -14.187127         0.025657
BFGS:    5 14:20:06      -14.187205         0.000838
BFGS:    6 14:20:06      -14.187205         0.000075
BFGS:    7 14:20:06      -14.187205         0.000000
Minimization converged after 7 steps.
Maximum force component: 5.745247470452439e-32 eV/Angstrom
Maximum stress component: 4.3305775460564457e-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([[4.661098498802401, 3.1717256610863394e-17, 2.705083940646946e-36], [-2.3305492494012006, 4.03662970950439, 5.336131501532087e-36], [-1.1774088165304244e-36, 1.1493227041566792e-35, 2.8299043615206303]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.83016498e-32 -2.60630248e-49 -2.22284892e-68]
 [ 5.74524747e-32  3.31702017e-32  8.83055777e-68]]
stress =  [-3.73451717e-10 -3.73451717e-10 -4.33057755e-10  5.30632755e-46
 -4.94216471e-46  1.14201290e-25]
energy per atom =  -4.729068422538594
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0