element(s):
['Al', 'Ni']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8655']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8655, 0, 0], [0, 2.8655, 0], [0, 0, 2.8655]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:58:40      -34.147299        16.244418
BFGS:    1 15:58:40      -36.314333        12.171641
BFGS:    2 15:58:41      -37.603054         4.229713
BFGS:    3 15:58:41      -37.690747         2.363018
BFGS:    4 15:58:41      -37.720639         0.229424
BFGS:    5 15:58:41      -37.720944         0.010924
BFGS:    6 15:58:41      -37.720945         0.000054
BFGS:    7 15:58:41      -37.720945         0.000000
BFGS:    8 15:58:41      -37.720945         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.965468453197866e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6964768826601144, 1.3827128579117123e-32, 1.127292874036229e-33], [6.831421798183362e-33, 2.6964768826601144, -2.3942076419154103e-17], [-6.663645530454834e-34, -2.3942076419154094e-17, 2.6964768826601144]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.96546845e-16 -7.96546845e-16 -7.96546845e-16 -1.18557877e-32
  2.82537310e-34 -7.04075260e-53]
energy per atom =  -18.86047230485424
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0