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_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 11:45:39      -18.441954         0.345867
BFGS:    1 11:45:39      -18.445187         0.302281
BFGS:    2 11:45:39      -18.454335         0.052709
BFGS:    3 11:45:39      -18.454402         0.041070
BFGS:    4 11:45:39      -18.454551         0.039739
BFGS:    5 11:45:39      -18.454799         0.044526
BFGS:    6 11:45:39      -18.455082         0.033682
BFGS:    7 11:45:39      -18.455222         0.013790
BFGS:    8 11:45:39      -18.455248         0.003580
BFGS:    9 11:45:39      -18.455250         0.000253
BFGS:   10 11:45:39      -18.455250         0.000018
BFGS:   11 11:45:39      -18.455250         0.000001
BFGS:   12 11:45:39      -18.455250         0.000000
BFGS:   13 11:45:39      -18.455250         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8648725537922443e-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]
 [4.16911017e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.5699562398852045, -5.473195500409949e-36, 6.81501856158646e-33], [4.611164344491699e-37, 3.569956239885206, -1.742379727457104e-18], [1.0359463297339708e-32, -1.7197336022180389e-18, 3.569956239838254]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.32644424e-12 -9.32644424e-12 -1.86487255e-11 -2.20423380e-27
 -2.70518249e-44 -3.13255294e-60]
energy per atom =  -4.613812444546677
===============================================
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.