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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 13:59:34      -15.122207        1.6370
BFGS:    1 13:59:34      -15.229625        1.4329
BFGS:    2 13:59:34      -15.412906        1.0175
BFGS:    3 13:59:34      -15.536756        0.6397
BFGS:    4 13:59:34      -15.606333        0.2921
BFGS:    5 13:59:34      -15.625533        0.0135
BFGS:    6 13:59:34      -15.625575        0.0002
BFGS:    7 13:59:34      -15.625575        0.0000
BFGS:    8 13:59:34      -15.625575        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.5744900124541673e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.12258312e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.737326599087603, -1.4684693138573184e-32, 1.4464463754701008e-33], [3.548156844936692e-32, 3.737326599087603, 1.1425706380048718e-17], [-5.590075043698241e-32, 1.1425706380048794e-17, 3.737326599087603]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.57449001e-14 -5.57449001e-14 -5.57449001e-14  5.69488996e-30
  5.88311174e-34 -3.13021506e-50]
energy per atom =  -3.9063936952997977
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0