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_KimKimJung_2017_NiAlTi__MO_478967255435_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 15:56:57      -18.441954         0.345867
BFGS:    1 15:56:57      -18.445187         0.302281
BFGS:    2 15:56:57      -18.454335         0.052705
BFGS:    3 15:56:57      -18.454402         0.041070
BFGS:    4 15:56:57      -18.454551         0.039742
BFGS:    5 15:56:57      -18.454799         0.044525
BFGS:    6 15:56:57      -18.455082         0.033674
BFGS:    7 15:56:57      -18.455222         0.013786
BFGS:    8 15:56:57      -18.455248         0.003577
BFGS:    9 15:56:57      -18.455250         0.000252
BFGS:   10 15:56:57      -18.455250         0.000018
BFGS:   11 15:56:57      -18.455250         0.000001
BFGS:   12 15:56:57      -18.455250         0.000000
BFGS:   13 15:56:57      -18.455250         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.861867233748186e-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([[3.5699562376547602, -3.0708553938781226e-35, 1.420011849357436e-32], [-1.998555816542421e-35, 3.56995623765476, 6.850364431392682e-19], [-2.0708589739217886e-32, 6.83280921149328e-19, 3.569956237607869]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.30833814e-12 -9.30833814e-12 -1.86186723e-11  7.36266242e-28
  4.83575934e-34 -3.06437567e-50]
energy per atom =  -4.613812444549791
===============================================
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.