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_JeongParkDo_2018_PdTi__MO_086900950763_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 21:20:26      -14.159895         0.466544
BFGS:    1 21:20:26      -14.167762         0.400700
BFGS:    2 21:20:26      -14.187003         0.042604
BFGS:    3 21:20:26      -14.187111         0.027369
BFGS:    4 21:20:26      -14.187127         0.025658
BFGS:    5 21:20:26      -14.187205         0.000839
BFGS:    6 21:20:26      -14.187205         0.000075
BFGS:    7 21:20:26      -14.187205         0.000000
Minimization converged after 7 steps.
Maximum force component: 5.745247481747516e-32 eV/Angstrom
Maximum stress component: 4.442263069908258e-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([[4.661098507966056, -5.46889333000355e-18, 9.305839928817332e-38], [-2.330549253983028, 4.036629717440347, -3.928739622401894e-36], [-4.79469613553963e-37, -1.6448945808875356e-37, 2.8299043629666945]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.78770623e-32  1.65851009e-32 -1.69065071e-68]
 [ 5.74524748e-32 -3.31702018e-32  1.24900361e-34]]
stress =  [-3.63650454e-10 -3.63650454e-10 -4.44226307e-10 -1.12397993e-35
 -1.94679034e-35 -7.61480106e-26]
energy per atom =  -4.729068422495671
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0