element(s):
['Ti']
AFLOW prototype label:
A_hP3_191_ad
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7179', '0.60942368']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.7179, 0, 0], [-2.35895, 4.0858212525146, 0], [0, 0, 2.8752]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:21:44      -13.968288         0.572720
BFGS:    1 15:21:44      -13.974892         0.503153
BFGS:    2 15:21:44      -13.992713         0.075956
BFGS:    3 15:21:44      -13.992900         0.052593
BFGS:    4 15:21:44      -13.993162         0.054496
BFGS:    5 15:21:44      -13.993373         0.029277
BFGS:    6 15:21:44      -13.993417         0.006686
BFGS:    7 15:21:44      -13.993421         0.000941
BFGS:    8 15:21:44      -13.993421         0.000054
BFGS:    9 15:21:44      -13.993421         0.000003
BFGS:   10 15:21:45      -13.993421         0.000000
BFGS:   11 15:21:45      -13.993421         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.668021928016137e-31 eV/Angstrom
Maximum stress component: 2.2777650680208694e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.686402385461992, 1.3899537002943377e-17, -3.8089636584736146e-38], [-2.343201192730996, 4.058543518166081, 8.760535599265165e-38], [4.271733850807436e-37, -3.2768411648335204e-36, 2.813361781873071]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.31057477e-31  2.66802193e-31  6.38502473e-69]
 [ 2.31057477e-31 -2.66802193e-31 -6.38502473e-69]]
stress =  [-2.27776507e-11 -2.27776507e-11 -8.66008292e-12  3.59835009e-34
  6.23252518e-34 -6.22714890e-27]
energy per atom =  -4.664473561765885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0