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_KimKimJung_2017_NiAlTi__MO_478967255435_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 13:53:39      -19.202913        0.7185
BFGS:    1 13:53:39      -19.223829        0.6397
BFGS:    2 13:53:39      -19.289351        0.2253
BFGS:    3 13:53:39      -19.297735        0.0224
BFGS:    4 13:53:39      -19.297816        0.0007
BFGS:    5 13:53:39      -19.297816        0.0000
BFGS:    6 13:53:39      -19.297816        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.56330977574791e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.11837139e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.133002594390036, 4.202484340679406e-33, 9.071643438730782e-34], [8.304078437627517e-33, 4.133002594390036, 1.9438885588147788e-17], [2.4625202232595644e-33, 1.9438885588147785e-17, 4.133002594390036]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.56330978e-12 -9.56330978e-12 -9.56330978e-12 -4.24012889e-28
 -9.39567279e-37 -4.25752691e-53]
energy per atom =  -4.824453926376683
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0