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_KavousiNovakBaskes_2019_NiTi__MO_050461957184_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      -19.179677         0.843827
BFGS:    1 15:19:04      -19.208566         0.753351
BFGS:    2 15:19:04      -19.291718         0.346718
BFGS:    3 15:19:04      -19.311602         0.042617
BFGS:    4 15:19:04      -19.311885         0.002018
BFGS:    5 15:19:04      -19.311886         0.000011
BFGS:    6 15:19:04      -19.311886         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5814477462574558e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.1169840157962, -1.3346167031176028e-32, -3.51588507653525e-33], [-1.6784751169677217e-32, 4.1169840157962, 1.1897327566301031e-18], [-1.1877053901754486e-33, 1.189732756630096e-18, 4.116984015796201]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.58144775e-10 -1.58144775e-10 -1.58144775e-10 -8.94462032e-27
 -2.27254305e-35 -1.32555414e-51]
energy per atom =  -4.827971449532327
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0