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_KimJungLee_2009_FeTiC__MO_110119204723_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 15:22:16      -14.159895         0.466544
BFGS:    1 15:22:16      -14.167762         0.400700
BFGS:    2 15:22:16      -14.187003         0.042604
BFGS:    3 15:22:16      -14.187111         0.027369
BFGS:    4 15:22:16      -14.187127         0.025658
BFGS:    5 15:22:16      -14.187205         0.000838
BFGS:    6 15:22:16      -14.187205         0.000075
BFGS:    7 15:22:16      -14.187205         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.4363118644092405e-32 eV/Angstrom
Maximum stress component: 4.463475365750934e-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([[4.66109848840525, 1.0702491207381011e-17, 2.435933212333519e-37], [-2.330549244202625, 4.036629700500192, 1.1072495588185699e-36], [-2.136594852449671e-37, -9.271501168873915e-37, 2.8299043638822434]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.18155932e-33  4.14627521e-33 -3.63346504e-34]
 [ 1.43631186e-32 -8.29255042e-33  3.63346504e-34]]
stress =  [-3.64843278e-10 -3.64843278e-10 -4.46347537e-10 -4.60697656e-37
 -7.97951747e-37 -1.26821599e-25]
energy per atom =  -4.729068422479576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0