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_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_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 09:35:48       -9.120198        4.4965
BFGS:    1 09:35:48       -9.425488        0.3924
BFGS:    2 09:35:48       -9.430587        0.3209
BFGS:    3 09:35:48       -9.439974        0.0447
BFGS:    4 09:35:48       -9.440131        0.0046
BFGS:    5 09:35:48       -9.440133        0.0000
BFGS:    6 09:35:48       -9.440133        0.0000
BFGS:    7 09:35:48       -9.440133        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.377479727691183e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.271569763919318, -3.4765849171778334e-33, -2.0159377666106e-34], [-7.473925347800501e-33, 3.2715697639193193, 1.8221296256628416e-18], [1.192490318604282e-33, 1.8221296256628412e-18, 3.2715697639193184]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.37747973e-14  2.37747973e-14  2.37747973e-14  1.51730954e-30
 -2.39920220e-35 -1.23053151e-51]
energy per atom =  -4.720066408414541
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0