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_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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      -19.276479         0.891020
BFGS:    1 15:19:04      -19.308699         0.795938
BFGS:    2 15:19:04      -19.398344         0.390697
BFGS:    3 15:19:04      -19.423516         0.051382
BFGS:    4 15:19:04      -19.423924         0.002743
BFGS:    5 15:19:04      -19.423925         0.000018
BFGS:    6 15:19:04      -19.423925         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.494087863745448e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 3.7475836e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.111299760856808, 1.906776150176912e-33, 9.498076141126061e-33], [-1.2991425861710815e-32, 4.111299760856808, 1.2595558768405415e-17], [9.384174045646297e-33, 1.2595558768405412e-17, 4.111299760856808]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.49408786e-10 -3.49408786e-10 -3.49408786e-10 -5.91567650e-27
 -1.33847952e-57  3.08410479e-58]
energy per atom =  -4.8559812033671514
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0