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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 13:54:30      -20.384249       29.6960
BFGS:    1 13:54:30      -23.361913       19.5095
BFGS:    2 13:54:30      -25.394718       11.7061
BFGS:    3 13:54:30      -26.412907        6.0250
BFGS:    4 13:54:30      -26.887011        1.7380
BFGS:    5 13:54:30      -26.933032        0.3273
BFGS:    6 13:54:30      -26.934860        0.0243
BFGS:    7 13:54:30      -26.934869        0.0005
BFGS:    8 13:54:30      -26.934869        0.0001
BFGS:    9 13:54:30      -26.934869        0.0000
BFGS:   10 13:54:31      -26.934869        0.0000
BFGS:   11 13:54:31      -26.934869        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.0004656894080105e-30 eV/Angstrom
Maximum stress component: 2.3701779650544656e-10 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([[5.0729637267432555, 1.466041011456265e-17, 5.5879435195065825e-36], [-2.5364818633716277, 4.39331545983664, -2.064629572691829e-36], [-1.6286101031455704e-34, -2.1180164397834867e-34, 3.026873642957876]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.00046569e-30 -5.77619135e-31  1.00613596e-66]
 [-1.00046569e-30  5.77619135e-31 -1.00613596e-66]]
stress =  [ 2.37017797e-10  2.37017797e-10  9.70776606e-11 -6.17934610e-34
  1.03194972e-44  2.54393913e-26]
energy per atom =  -8.978289819312712
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0