element(s):
['Al', 'Ni', 'Ti']
AFLOW prototype label:
ABC2_cF16_216_a_c_bd
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.284']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]
 [0.75 0.75 0.75]]
spacegroup =  216
cell =  [[6.284, 0, 0], [0, 6.284, 0], [0, 0, 6.284]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:08:08     -160.790505       10.8083
BFGS:    1 11:08:08     -162.307922        9.4374
BFGS:    2 11:08:08     -163.625671        8.1453
BFGS:    3 11:08:09     -164.755252        6.9279
BFGS:    4 11:08:09     -165.707574        5.7812
BFGS:    5 11:08:09     -166.492974        4.7017
BFGS:    6 11:08:09     -167.122759        3.6991
BFGS:    7 11:08:09     -167.605204        2.7433
BFGS:    8 11:08:09     -167.948595        1.8446
BFGS:    9 11:08:09     -168.161286        1.0001
BFGS:   10 11:08:09     -168.251197        0.2070
BFGS:   11 11:08:09     -168.255400        0.0081
BFGS:   12 11:08:09     -168.255406        0.0001
BFGS:   13 11:08:09     -168.255406        0.0000
BFGS:   14 11:08:09     -168.255406        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.5840926377466886e-30 eV/Angstrom
Maximum stress component: 5.336964023937201e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.75 0.75 0.75]
 [0.25 0.25 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]]
cellpar =  Cell([[6.48571315416006, 3.024033178693864e-33, 2.174467929019278e-33], [-2.6384600924452567e-34, 6.48571315416006, 1.221542227499029e-18], [3.7386086241693956e-33, 1.2215422274990296e-18, 6.48571315416006]])
forces =  [[-2.83129995e-32 -3.99712934e-32  5.32950578e-32]
 [-5.32950578e-32 -2.66475289e-32 -3.99712934e-32]
 [-5.32950578e-32 -2.66475289e-32  5.16295873e-32]
 [-2.66475289e-32 -4.16367639e-32 -3.99712934e-32]
 [-1.46561409e-31 -1.73208938e-31 -4.55506197e-31]
 [-1.69045261e-31  1.79766728e-31  2.66475289e-31]
 [ 2.99784700e-31 -2.39827760e-31  5.32950578e-32]
 [-1.59885173e-31 -3.91385581e-32  5.59598107e-31]
 [ 1.98807622e-65  2.66475289e-31  5.32950578e-32]
 [ 5.71063413e-65  1.06590116e-31  1.06590116e-31]
 [ 5.32950578e-32  1.59885173e-31  3.01133409e-50]
 [-5.32950578e-32  3.01133409e-50  1.59885173e-31]
 [ 8.79368454e-31  3.58409264e-30 -1.06590116e-30]
 [ 1.06590116e-31 -2.77134301e-30  4.26360462e-31]
 [ 2.45157266e-30  1.74541314e-30  2.45157266e-30]
 [-2.99784700e-31 -1.70544185e-30 -3.49748817e-32]]
stress =  [-5.33696402e-15 -5.33696402e-15 -5.33696402e-15 -9.33235500e-31
 -3.12560224e-33 -2.63558177e-49]
energy per atom =  -10.515962889992387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0