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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 16:57:04      -16.651727         0.949824
BFGS:    1 16:57:04      -16.684822         0.824433
BFGS:    2 16:57:04      -16.767087         0.406425
BFGS:    3 16:57:04      -16.795057         0.087728
BFGS:    4 16:57:04      -16.796025         0.029672
BFGS:    5 16:57:04      -16.796052         0.021224
BFGS:    6 16:57:04      -16.796068         0.017829
BFGS:    7 16:57:04      -16.796139         0.020928
BFGS:    8 16:57:04      -16.796248         0.024111
BFGS:    9 16:57:04      -16.796392         0.019487
BFGS:   10 16:57:04      -16.796467         0.008772
BFGS:   11 16:57:04      -16.796484         0.002463
BFGS:   12 16:57:04      -16.796485         0.000166
BFGS:   13 16:57:04      -16.796485         0.000013
BFGS:   14 16:57:04      -16.796485         0.000000
BFGS:   15 16:57:04      -16.796485         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.154458425264198e-10 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]
 [1.68879572e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.646019250279964, -3.698012215879121e-36, 4.755753731157574e-32], [3.265087271614033e-36, 3.646019250279964, 3.804302953334593e-18], [1.0140285157789348e-32, 3.760007594549644e-18, 3.6460192470909174]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.50195600e-10 -3.50195600e-10 -6.15445843e-10  1.02942415e-25
 -7.37712247e-43  2.27183179e-58]
energy per atom =  -4.199121204253369
===============================================
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.