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_SunRamachandranWick_2018_TiAl__MO_022920256108_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 21:47:23      -14.111699         0.076893
BFGS:    1 21:47:23      -14.111784         0.068905
BFGS:    2 21:47:23      -14.112108         0.015976
BFGS:    3 21:47:23      -14.112116         0.014953
BFGS:    4 21:47:23      -14.112145         0.003392
BFGS:    5 21:47:23      -14.112146         0.000954
BFGS:    6 21:47:23      -14.112146         0.000052
BFGS:    7 21:47:23      -14.112146         0.000002
BFGS:    8 21:47:23      -14.112146         0.000000
BFGS:    9 21:47:23      -14.112146         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.3569309595930313e-32 eV/Angstrom
Maximum stress component: 2.666803450776125e-11 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([[4.717181396950756, 1.7423075018057573e-21, 1.7310445185010623e-37], [-2.358590698475378, 4.085198924018719, -6.946302174732838e-37], [2.3917521306246056e-37, 3.206823368618812e-37, 2.886601669291122]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.63571808e-49 -3.35693096e-32  4.99675995e-69]
 [-8.17859041e-50 -1.67846548e-32  2.49837997e-69]]
stress =  [-1.75799511e-11 -1.75799511e-11 -2.66680345e-11 -4.35522646e-35
  7.54341822e-35  1.63146564e-30]
energy per atom =  -4.704048809852281
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0