element(s):
['Ti']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.397']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:13:01       -9.540434         1.274556
BFGS:    1 16:13:01       -9.603194         1.019049
BFGS:    2 16:13:01       -9.695429         0.173635
BFGS:    3 16:13:01       -9.697686         0.028839
BFGS:    4 16:13:01       -9.697748         0.000646
BFGS:    5 16:13:01       -9.697748         0.000002
BFGS:    6 16:13:01       -9.697748         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0387357744752189e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2661362013539397, -1.8238876003670476e-32, -1.8009551523192777e-33], [-1.9189388084686577e-32, 3.2661362013539406, 4.01784169978072e-19], [7.690370446965254e-33, 4.0178416997806744e-19, 3.2661362013539397]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03873577e-11 -1.03873577e-11 -1.03873577e-11 -4.15046304e-29
  2.40719149e-35  6.94920535e-52]
energy per atom =  -4.8488739488845605
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0