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_KimSeolJi_2017_PtTi__MO_280985530673_001
==== 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 11:15:01      -19.202913         0.718491
BFGS:    1 11:15:01      -19.223829         0.639695
BFGS:    2 11:15:02      -19.289351         0.225304
BFGS:    3 11:15:02      -19.297735         0.022439
BFGS:    4 11:15:02      -19.297816         0.000681
BFGS:    5 11:15:02      -19.297816         0.000002
BFGS:    6 11:15:03      -19.297816         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.599355142691562e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.65552223e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.31976162e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.133002585450283, 1.2438816766014698e-33, -1.663117857426348e-33], [-1.0169251226971171e-32, 4.133002585450283, 4.116418827695522e-18], [1.9360304655165982e-32, 4.1164188276955026e-18, 4.133002585450283]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.59935514e-12 -9.59935514e-12 -9.59935514e-12  1.54039251e-27
  3.75826913e-36 -1.11760646e-51]
energy per atom =  -4.824453926379598
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0