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 09:18:02      -18.441954        0.3459
BFGS:    1 09:18:02      -18.445187        0.3023
BFGS:    2 09:18:02      -18.454335        0.0527
BFGS:    3 09:18:02      -18.454402        0.0411
BFGS:    4 09:18:02      -18.454551        0.0397
BFGS:    5 09:18:02      -18.454799        0.0445
BFGS:    6 09:18:02      -18.455083        0.0337
BFGS:    7 09:18:02      -18.455222        0.0138
BFGS:    8 09:18:02      -18.455248        0.0036
BFGS:    9 09:18:02      -18.455250        0.0003
BFGS:   10 09:18:02      -18.455250        0.0000
BFGS:   11 09:18:02      -18.455250        0.0000
BFGS:   12 09:18:02      -18.455250        0.0000
BFGS:   13 09:18:02      -18.455250        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8617568959715042e-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]
 [1.94394309e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.5699562643207767, 1.4145158409550618e-35, -1.6826234783058782e-32], [-3.0146920576697324e-38, 3.5699562643207767, 1.5700802694658874e-18], [-6.48017954478052e-34, 1.5553254214216823e-18, 3.569956264273886]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.30718616e-12 -9.30718616e-12 -1.86175690e-11  8.20611904e-27
  1.69001936e-45 -6.84255157e-61]
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.