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_001
==== 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 12:45:25      -18.441954         0.345867
BFGS:    1 12:45:26      -18.445187         0.302281
BFGS:    2 12:45:26      -18.454335         0.052705
BFGS:    3 12:45:26      -18.454402         0.041070
BFGS:    4 12:45:26      -18.454551         0.039742
BFGS:    5 12:45:26      -18.454799         0.044525
BFGS:    6 12:45:26      -18.455082         0.033674
BFGS:    7 12:45:26      -18.455222         0.013786
BFGS:    8 12:45:26      -18.455248         0.003577
BFGS:    9 12:45:26      -18.455250         0.000252
BFGS:   10 12:45:27      -18.455250         0.000018
BFGS:   11 12:45:27      -18.455250         0.000001
BFGS:   12 12:45:27      -18.455250         0.000000
BFGS:   13 12:45:27      -18.455250         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.861963376771456e-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 2.15793115e-34]
 [4.52953073e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.56995623765476, -2.7312680833224356e-35, 3.4491932496335413e-32], [-1.8352312399292154e-35, 3.569956237654759, -1.9206051525239702e-18], [-4.321138125455694e-34, -1.8997608575553273e-18, 3.569956237607867]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.30915072e-12 -9.30915072e-12 -1.86196338e-11  1.60864858e-27
 -3.77793698e-35  2.17603262e-51]
energy per atom =  -4.613812444549792
===============================================
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.