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:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== 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 15:53:17      -18.441954         0.345867
BFGS:    1 15:53:17      -18.445187         0.302281
BFGS:    2 15:53:17      -18.454335         0.052709
BFGS:    3 15:53:17      -18.454402         0.041070
BFGS:    4 15:53:18      -18.454551         0.039739
BFGS:    5 15:53:18      -18.454799         0.044526
BFGS:    6 15:53:18      -18.455082         0.033682
BFGS:    7 15:53:18      -18.455222         0.013790
BFGS:    8 15:53:18      -18.455248         0.003580
BFGS:    9 15:53:18      -18.455250         0.000253
BFGS:   10 15:53:18      -18.455250         0.000018
BFGS:   11 15:53:18      -18.455250         0.000001
BFGS:   12 15:53:18      -18.455250         0.000000
BFGS:   13 15:53:18      -18.455250         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8649281898563666e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[3.569956239885206, 1.9969584167786574e-36, -1.7173430105888292e-33], [2.6777763928075764e-36, 3.5699562398852054, 1.5169083747812243e-18], [-1.0339910136074535e-32, 1.508844351373176e-18, 3.5699562398382527]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.32661017e-12 -9.32661017e-12 -1.86492819e-11  7.88163370e-27
  2.70018962e-44 -8.60675367e-60]
energy per atom =  -4.613812444546675
===============================================
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.