element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5446']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5446, 0, 0], [0, 3.5446, 0], [0, 0, 3.5446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:56      -69.774204        13.392897
BFGS:    1 16:05:56      -71.604550        10.872474
BFGS:    2 16:05:56      -72.989760         7.459473
BFGS:    3 16:05:56      -73.777823         2.861215
BFGS:    4 16:05:56      -73.879229         0.793134
BFGS:    5 16:05:56      -73.886661         0.054172
BFGS:    6 16:05:56      -73.886696         0.000933
BFGS:    7 16:05:57      -73.886697         0.000001
BFGS:    8 16:05:57      -73.886697         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.29472406045645e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.389702100040158, -8.630711059827875e-33, -3.71999979701303e-33], [-2.021927326094634e-32, 3.389702100040158, 1.3458624592050085e-18], [9.28078365950967e-33, 1.345862459205006e-18, 3.389702100040158]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.29472406e-12  2.29472406e-12  2.29472406e-12 -1.76663275e-28
  2.29951027e-60  3.20735510e-60]
energy per atom =  -18.47167412681847
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0