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 13:16:12     -159.331297         7.492638
BFGS:    1 13:16:12     -160.366427         6.320867
BFGS:    2 13:16:12     -161.230997         5.217898
BFGS:    3 13:16:13     -161.935056         4.180133
BFGS:    4 13:16:13     -162.488339         3.229954
BFGS:    5 13:16:14     -162.903273         2.311996
BFGS:    6 13:16:14     -163.184713         1.449547
BFGS:    7 13:16:14     -163.340767         0.639702
BFGS:    8 13:16:15     -163.380459         0.035369
BFGS:    9 13:16:15     -163.380585         0.000936
BFGS:   10 13:16:16     -163.380585         0.000001
BFGS:   11 13:16:16     -163.380585         0.000000
Minimization converged after 11 steps.
Maximum force component: 9.576541263086918e-31 eV/Angstrom
Maximum stress component: 3.0428322554088633e-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 1.24717719e-35 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 4.05107516e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.37773911e-68 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([[6.756011564667848, -1.4397159015503194e-32, 3.359910635446067e-32], [3.2651810686354606e-33, 6.756011564667848, -1.5384168955619868e-19], [-2.3164685625936657e-32, -1.5384168955615964e-19, 6.756011564667848]])
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]
 [-1.66548544e-31 -9.16016990e-31 -9.57654126e-31]
 [ 2.37678651e-31  6.05039631e-31  6.36484343e-32]
 [ 2.42883293e-31 -8.18863673e-31  3.19218042e-31]
 [-2.77580906e-32  7.07831311e-31 -4.58008495e-31]
 [ 2.63701861e-31 -5.27403722e-31  6.93952265e-32]
 [-2.95797153e-31 -4.55406174e-32  6.66194175e-31]
 [-2.49822816e-31  2.55894898e-32 -4.50635252e-31]
 [ 1.79126429e-31 -3.46976133e-31  2.68906503e-32]]
stress =  [-3.04283226e-12 -3.04283226e-12 -3.04283226e-12  1.51839320e-27
  3.60062944e-34 -9.39730539e-50]
energy per atom =  -10.211286582222835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0