element(s):
['Ti']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2228']
model name:
MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:22:47      -19.202913         0.718491
BFGS:    1 21:22:47      -19.223829         0.639695
BFGS:    2 21:22:48      -19.289351         0.225304
BFGS:    3 21:22:48      -19.297735         0.022439
BFGS:    4 21:22:48      -19.297816         0.000681
BFGS:    5 21:22:48      -19.297816         0.000002
BFGS:    6 21:22:49      -19.297816         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.614045617802288e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.13880558e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.1330025819027965, 1.9867578501184707e-33, 2.079157428453797e-33], [-1.986766528359633e-33, 4.1330025819027965, -1.7001517137840137e-20], [-1.622695307741917e-36, -1.7001517137841124e-20, 4.1330025819027965]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.61404562e-12 -9.61404562e-12 -9.61404562e-12  2.08086585e-32
  1.87913457e-36 -2.08629108e-52]
energy per atom =  -4.824453926347041
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0