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_Mishin_2004_NiAl__MO_101214310689_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 13:58:49      -18.487446        0.3009
BFGS:    1 13:58:49      -18.491039        0.2564
BFGS:    2 13:58:49      -18.500862        0.0107
BFGS:    3 13:58:49      -18.500880        0.0004
BFGS:    4 13:58:49      -18.500880        0.0000
BFGS:    5 13:58:49      -18.500880        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3104331875636966e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.19741976e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.57143934e-41]]
cellpar =  Cell([[3.5713654440148375, 7.013307534009203e-34, 8.239845879511454e-36], [2.8732940555888733e-34, 3.5713654440148375, 8.564118811488043e-25], [2.9460889078765118e-36, 8.564118811712217e-25, 3.5713654440148375]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.31043319e-12 -2.31043319e-12 -2.31043319e-12  4.60500983e-30
  8.05323976e-35 -3.10545013e-52]
energy per atom =  -4.605840400602278
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0