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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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      -18.932249         0.772972
BFGS:    1 15:19:04      -18.956565         0.694593
BFGS:    2 15:19:04      -19.032134         0.302503
BFGS:    3 15:19:04      -19.047407         0.045608
BFGS:    4 15:19:04      -19.047733         0.002437
BFGS:    5 15:19:05      -19.047734         0.000018
BFGS:    6 15:19:05      -19.047734         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.115181225289112e-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([[4.122695886134691, 3.926205145007982e-33, 3.325298089925705e-33], [5.419359381187202e-33, 4.122695886134691, 5.933472032129659e-20], [3.835526726227602e-33, 5.93347203212931e-20, 4.122695886134691]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.11518123e-10 -4.11518123e-10 -4.11518123e-10 -5.72312482e-26
 -2.24743869e-35 -8.02078186e-52]
energy per atom =  -4.761933451265041
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0