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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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 17:13:14       -9.452978         1.177831
BFGS:    1 17:13:14       -9.507062         0.960934
BFGS:    2 17:13:14       -9.593940         0.153628
BFGS:    3 17:13:14       -9.595706         0.031744
BFGS:    4 17:13:14       -9.595781         0.000804
BFGS:    5 17:13:14       -9.595781         0.000004
BFGS:    6 17:13:14       -9.595781         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9936050066087075e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2700335919041774, 8.439256257388571e-33, 3.346814557959616e-33], [4.4747595728012175e-33, 3.2700335919041783, -1.4126536889128056e-18], [-2.9062387435442815e-33, -1.412653688912798e-18, 3.2700335919041774]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.99360501e-11 -2.99360501e-11 -2.99360501e-11  6.94310270e-28
 -1.18407334e-60  2.03119852e-59]
energy per atom =  -4.797890718704619
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0