element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.559', '0.98817083']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.559, 0, 0], [0, 3.559, 0], [0, 0, 3.5169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:59      -69.751317        13.579725
BFGS:    1 15:52:59      -71.561718        11.134770
BFGS:    2 15:52:59      -72.918129         7.853091
BFGS:    3 15:52:59      -73.716660         3.623442
BFGS:    4 15:52:59      -73.873222         1.231262
BFGS:    5 15:52:59      -73.885523         0.160985
BFGS:    6 15:52:59      -73.886233         0.110194
BFGS:    7 15:52:59      -73.886695         0.010064
BFGS:    8 15:52:59      -73.886696         0.001037
BFGS:    9 15:52:59      -73.886697         0.000000
BFGS:   10 15:52:59      -73.886697         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.900828660555381e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.52256284e-35 5.00000000e-01]]
cellpar =  Cell([[3.3897021000349947, -7.97022662776962e-35, 1.4506465512424058e-32], [5.455923290376447e-35, 3.389702100034995, -1.4787852561881058e-18], [-7.195256519279334e-33, -1.4970551745384695e-18, 3.3897021000486656]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.85092222e-11 -1.85092222e-11  1.90082866e-11 -2.01838007e-27
 -5.36373606e-34 -3.92062742e-50]
energy per atom =  -18.471674126818584
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.