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 18:00:28     -160.790505        10.808277
BFGS:    1 18:00:29     -162.307922         9.437429
BFGS:    2 18:00:29     -163.625671         8.145325
BFGS:    3 18:00:29     -164.755252         6.927880
BFGS:    4 18:00:29     -165.707574         5.781220
BFGS:    5 18:00:29     -166.492974         4.701671
BFGS:    6 18:00:30     -167.122759         3.699135
BFGS:    7 18:00:30     -167.605204         2.743254
BFGS:    8 18:00:31     -167.948595         1.844569
BFGS:    9 18:00:31     -168.161286         1.000107
BFGS:   10 18:00:31     -168.251197         0.207049
BFGS:   11 18:00:31     -168.255400         0.008127
BFGS:   12 18:00:31     -168.255406         0.000070
BFGS:   13 18:00:31     -168.255406         0.000000
BFGS:   14 18:00:32     -168.255406         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.3295057810359694e-30 eV/Angstrom
Maximum stress component: 2.239831993779254e-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 =  [[1.15572968e-33 1.02716264e-33 0.00000000e+00]
 [1.02638096e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.75119364e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.98647799e-34 8.98510463e-34]
 [8.97840923e-34 5.00000000e-01 7.12679046e-34]
 [1.02278513e-33 2.37559682e-34 5.00000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.485713154160062, -2.728816728484522e-34, -8.770943293234485e-33], [-1.2793842277996744e-33, 6.485713154160062, -2.540813858528e-17], [-1.308071657996439e-32, -2.5408138585280005e-17, 6.485713154160062]])
forces =  [[-2.66475289e-32 -2.66475289e-32 -1.99856467e-32]
 [-2.66475289e-32 -2.66475289e-32 -2.66475289e-32]
 [-2.66475289e-32 -2.66475289e-32 -2.66475289e-32]
 [-2.66475289e-32 -2.66475289e-32 -2.66475289e-32]
 [ 1.86532702e-31 -8.26073396e-31 -2.66475289e-32]
 [ 9.99282334e-32  4.53007991e-31  1.59885173e-31]
 [ 3.46417876e-31 -7.99425867e-31 -6.39540694e-31]
 [ 1.33237645e-31  3.99712934e-31 -2.66475289e-32]
 [ 5.32950578e-32 -2.13180231e-31  8.35145300e-49]
 [-1.06590116e-31 -1.06590116e-31  1.06590116e-31]
 [ 3.64516902e-64 -2.13180231e-31 -1.59885173e-31]
 [-2.13180231e-31  5.32950578e-32  2.13180231e-31]
 [ 1.51890915e-30  2.93122818e-30  2.23839243e-30]
 [-1.70544185e-30 -2.13180231e-31  5.32950578e-30]
 [ 9.59311041e-31 -2.61145783e-30 -3.33094111e-30]
 [-2.81797618e-30  2.13180231e-31 -4.32356156e-30]]
stress =  [-2.23983199e-15 -2.23983199e-15 -2.23983199e-15  3.06952116e-31
  1.63815939e-63  9.85880434e-65]
energy per atom =  -10.5159628899924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0