element(s):
['Al', 'Ti']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5945']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.5945, 0, 0], [0, 6.5945, 0], [0, 0, 6.5945]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:27     -159.331297        7.4926
BFGS:    1 13:54:27     -160.366427        6.3209
BFGS:    2 13:54:27     -161.230997        5.2179
BFGS:    3 13:54:28     -161.935056        4.1801
BFGS:    4 13:54:28     -162.488339        3.2300
BFGS:    5 13:54:28     -162.903273        2.3120
BFGS:    6 13:54:29     -163.184713        1.4495
BFGS:    7 13:54:29     -163.340767        0.6397
BFGS:    8 13:54:29     -163.380459        0.0354
BFGS:    9 13:54:29     -163.380585        0.0009
BFGS:   10 13:54:30     -163.380585        0.0000
BFGS:   11 13:54:30     -163.380585        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.8320339807644534e-30 eV/Angstrom
Maximum stress component: 3.046278945675623e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [4.05107516e-49 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.756011564667846, -4.7263494054773953e-32, -2.067205299833365e-32], [-4.249889508808313e-32, 6.756011564667846, -6.472272583954529e-18], [3.7475274702528193e-32, -6.472272583954582e-18, 6.756011564667846]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.74734223e-31  2.35943770e-31  8.37947361e-31]
 [-1.43908351e-30 -8.54428727e-31 -6.93952265e-31]
 [ 6.42339566e-31  3.60855178e-31 -1.36014644e-30]
 [-1.31850930e-30 -1.14502124e-30 -8.32742719e-32]
 [ 4.30250405e-31  1.58221117e-30  4.30250405e-31]
 [-1.70105049e-30 -1.72794114e-30 -1.20747694e-30]
 [-1.73488066e-30 -1.63165526e-30  7.36456842e-31]
 [ 5.99401269e-31  1.83203398e-30  2.15125202e-31]]
stress =  [-3.04627895e-12 -3.04627895e-12 -3.04627895e-12  2.31359710e-28
  9.00157359e-35  7.45466074e-51]
energy per atom =  -10.211286582222849
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0