element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5446']
model name:
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5446, 0, 0], [0, 3.5446, 0], [0, 0, 3.5446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:45      -18.391488         0.257239
BFGS:    1 16:40:45      -18.394097         0.215943
BFGS:    2 16:40:45      -18.399957         0.017621
BFGS:    3 16:40:45      -18.399993         0.001037
BFGS:    4 16:40:45      -18.399993         0.000004
BFGS:    5 16:40:45      -18.399993         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0083793259629444e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.27792868e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.525527981648558, 2.9151762361789874e-33, 5.933725711855792e-33], [1.1668987466073136e-33, 3.525527981648558, 9.14980908659668e-21], [6.09052076554221e-34, 9.149809086613589e-21, 3.525527981648558]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.00837933e-10 -1.00837933e-10 -1.00837933e-10 -2.50992003e-27
 -3.09900409e-35 -1.21345949e-52]
energy per atom =  -4.599998159670752
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0