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 10:05:14     -159.331297         7.492638
BFGS:    1 10:05:14     -160.366427         6.320867
BFGS:    2 10:05:14     -161.230997         5.217898
BFGS:    3 10:05:14     -161.935056         4.180133
BFGS:    4 10:05:14     -162.488339         3.229954
BFGS:    5 10:05:14     -162.903273         2.311996
BFGS:    6 10:05:14     -163.184713         1.449547
BFGS:    7 10:05:14     -163.340767         0.639702
BFGS:    8 10:05:14     -163.380459         0.035369
BFGS:    9 10:05:14     -163.380585         0.000936
BFGS:   10 10:05:14     -163.380585         0.000001
BFGS:   11 10:05:14     -163.380585         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.132530097199844e-29 eV/Angstrom
Maximum stress component: 3.0463941553781307e-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]
 [5.06384395e-50 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 2.02553758e-49 0.00000000e+00]
 [5.06384395e-50 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 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, -5.985134029832617e-33, -2.6514694700508186e-32], [-3.725749127930327e-33, 6.756011564667846, -3.425442873195634e-18], [1.8924955182501711e-32, -3.425442873195655e-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]
 [-1.88755016e-30  4.77439159e-30  1.32544883e-30]
 [ 3.01869235e-30 -4.16024383e-30  7.38365210e-30]
 [-2.33167961e-30  2.27616343e-30 -5.71816667e-30]
 [ 4.27474596e-30 -2.05409871e-30 -1.13253010e-29]
 [-2.10961489e-30  5.16300485e-30 -3.44200324e-30]
 [ 5.86389664e-30 -4.52109901e-30 -2.10961489e-30]
 [ 5.38506958e-30 -5.87083617e-30  4.53150829e-30]
 [-3.06032949e-30  4.21922977e-30  1.08083065e-29]]
stress =  [-3.04639416e-12 -3.04639416e-12 -3.04639416e-12 -1.75340684e-29
 -3.60062944e-34 -8.70289171e-50]
energy per atom =  -10.21128658222285
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0