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_001
==== 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 10:15:37       -9.452978         1.177831
BFGS:    1 10:15:37       -9.507062         0.960934
BFGS:    2 10:15:37       -9.593940         0.153628
BFGS:    3 10:15:37       -9.595706         0.031744
BFGS:    4 10:15:37       -9.595781         0.000804
BFGS:    5 10:15:37       -9.595781         0.000004
BFGS:    6 10:15:37       -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, -1.8516341778010053e-33, -1.6331080643804635e-33], [-1.5754876415522554e-33, 3.2700335919041783, -8.309981327386649e-19], [4.141106101845179e-33, -8.309981327386661e-19, 3.2700335919041774]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.99360501e-11 -2.99360501e-11 -2.99360501e-11  4.70613743e-27
  3.25377539e-60 -9.77221740e-60]
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