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 09:17:44      -69.751317       13.5797
BFGS:    1 09:17:44      -71.561718       11.1348
BFGS:    2 09:17:44      -72.918129        7.8531
BFGS:    3 09:17:44      -73.716660        3.6234
BFGS:    4 09:17:44      -73.873222        1.2313
BFGS:    5 09:17:44      -73.885523        0.1610
BFGS:    6 09:17:44      -73.886233        0.1102
BFGS:    7 09:17:44      -73.886695        0.0101
BFGS:    8 09:17:44      -73.886696        0.0010
BFGS:    9 09:17:44      -73.886697        0.0000
BFGS:   10 09:17:44      -73.886697        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9023752084279788e-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 1.13634171e-34]
 [2.64934474e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.13634171e-34 5.00000000e-01]]
cellpar =  Cell([[3.3897021000349956, -2.676153257146136e-34, 1.0986469612104175e-32], [1.1081975610720085e-34, 3.3897021000349956, 5.166902287163797e-18], [7.265914245091026e-33, 5.077086161758204e-18, 3.389702100048667]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.84968116e-11 -1.84968116e-11  1.90237521e-11  4.30122438e-27
  2.14549443e-33  7.83852680e-49]
energy per atom =  -18.471674126818577
===============================================
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.