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 12:20:44      -34.147299        16.244418
BFGS:    1 12:20:44      -36.314333        12.171641
BFGS:    2 12:20:44      -37.603054         4.229713
BFGS:    3 12:20:44      -37.690747         2.363018
BFGS:    4 12:20:44      -37.720639         0.229424
BFGS:    5 12:20:44      -37.720944         0.010924
BFGS:    6 12:20:44      -37.720945         0.000054
BFGS:    7 12:20:44      -37.720945         0.000000
BFGS:    8 12:20:44      -37.720945         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.45190481853076e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6964768826601135, 1.2201743028058076e-32, 1.1119462905022668e-33], [6.062771106327871e-33, 2.6964768826601135, -2.3943163679941665e-17], [-1.648626669414827e-33, -2.3943163679941652e-17, 2.6964768826601135]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.45190482e-14 -1.45190482e-14 -1.45190482e-14 -1.06238875e-31
 -1.13014924e-33  5.14746414e-51]
energy per atom =  -18.860472304854245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0