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 11:39:05      -13.968288         0.572720
BFGS:    1 11:39:05      -13.974892         0.503153
BFGS:    2 11:39:05      -13.992713         0.075956
BFGS:    3 11:39:05      -13.992900         0.052593
BFGS:    4 11:39:06      -13.993162         0.054496
BFGS:    5 11:39:06      -13.993373         0.029277
BFGS:    6 11:39:06      -13.993417         0.006686
BFGS:    7 11:39:06      -13.993421         0.000941
BFGS:    8 11:39:06      -13.993421         0.000054
BFGS:    9 11:39:07      -13.993421         0.000003
BFGS:   10 11:39:07      -13.993421         0.000000
BFGS:   11 11:39:07      -13.993421         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.006245329617803e-31 eV/Angstrom
Maximum stress component: 2.2778404038477783e-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([[4.6864023854619905, 1.817933425758593e-17, 1.750444247789724e-37], [-2.3432011927309953, 4.058543518166079, 3.443922663686086e-37], [5.305954907270432e-39, 1.981418404601265e-36, 2.813361781873071]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.00624533e-31 -3.33502741e-31  7.22445027e-34]
 [-3.27331425e-31  3.00152467e-31  1.44489005e-33]]
stress =  [-2.27784040e-11 -2.27784040e-11 -8.66024917e-12  2.24896881e-34
  7.79065647e-35 -1.15682259e-26]
energy per atom =  -4.6644735617658855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0