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_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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 13:53:27       -9.455633        1.1227
BFGS:    1 13:53:27       -9.504271        0.8957
BFGS:    2 13:53:27       -9.578123        0.0531
BFGS:    3 13:53:27       -9.578339        0.0075
BFGS:    4 13:53:27       -9.578344        0.0001
BFGS:    5 13:53:27       -9.578344        0.0000
BFGS:    6 13:53:27       -9.578344        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7351076155038338e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.280135276090118, -1.0694367844295467e-32, -2.209570692998421e-34], [-2.5056176411087813e-33, 3.280135276090119, -8.198975816221425e-19], [2.3595377042210047e-34, -8.198975816221403e-19, 3.280135276090118]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.73510762e-14 -1.73510762e-14 -1.73510762e-14 -6.79917638e-33
  1.90935068e-34 -2.40619273e-53]
energy per atom =  -4.789171838769048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0