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_2016_AlTi__MO_618133763375_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 15:19:04      -19.202913         0.718491
BFGS:    1 15:19:04      -19.223829         0.639695
BFGS:    2 15:19:04      -19.289351         0.225304
BFGS:    3 15:19:04      -19.297735         0.022439
BFGS:    4 15:19:04      -19.297816         0.000681
BFGS:    5 15:19:04      -19.297816         0.000002
BFGS:    6 15:19:04      -19.297816         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.599343768570061e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.03470139e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.65988081e-35]]
cellpar =  Cell([[4.133002585455575, 4.0340809803939876e-33, 1.2951689891630852e-33], [4.56302139601212e-34, 4.133002585455575, -2.1457629057050587e-18], [-6.443633278303813e-34, -2.145762905705056e-18, 4.133002585455575]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.59934377e-12 -9.59934377e-12 -9.59934377e-12  1.72940462e-27
 -5.63740370e-35  4.63355656e-51]
energy per atom =  -4.824453926379656
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0