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_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_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 16:57:08      -18.441954         0.345867
BFGS:    1 16:57:08      -18.445187         0.302281
BFGS:    2 16:57:08      -18.454335         0.052705
BFGS:    3 16:57:08      -18.454402         0.041070
BFGS:    4 16:57:08      -18.454551         0.039742
BFGS:    5 16:57:08      -18.454799         0.044524
BFGS:    6 16:57:08      -18.455083         0.033674
BFGS:    7 16:57:08      -18.455222         0.013786
BFGS:    8 16:57:08      -18.455248         0.003577
BFGS:    9 16:57:08      -18.455250         0.000252
BFGS:   10 16:57:08      -18.455250         0.000018
BFGS:   11 16:57:08      -18.455250         0.000001
BFGS:   12 16:57:08      -18.455250         0.000000
BFGS:   13 16:57:08      -18.455250         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8619867607580193e-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 2.69741392e-35]
 [3.16318466e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.569956264320776, -1.3097244001360517e-35, -3.025321719113111e-32], [4.2742502517041704e-36, 3.5699562643207754, 1.27174684672895e-18], [-1.553114096870446e-32, 1.2760116618961303e-18, 3.569956264273882]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.30895773e-12 -9.30895773e-12 -1.86198676e-11 -3.96841044e-26
 -1.20893982e-34  4.29597156e-50]
energy per atom =  -4.613812444600887
===============================================
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.