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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
==== 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 16:05:52      -17.766775         2.649784
BFGS:    1 16:05:52      -18.031535         2.006552
BFGS:    2 16:05:52      -18.269258         1.229622
BFGS:    3 16:05:52      -18.420160         0.807257
BFGS:    4 16:05:52      -18.504035         0.266242
BFGS:    5 16:05:52      -18.509948         0.117546
BFGS:    6 16:05:52      -18.511187         0.006931
BFGS:    7 16:05:52      -18.511192         0.000147
BFGS:    8 16:05:52      -18.511192         0.000000
BFGS:    9 16:05:52      -18.511192         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.31025403459414e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.9672525e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 4.1344794e-34]]
cellpar =  Cell([[3.7265730572423275, -4.216783675813701e-33, -6.650628470125624e-33], [-9.650402203207947e-34, 3.7265730572423275, -1.4518431516573808e-17], [6.619739113754117e-33, -1.4518431516573823e-17, 3.7265730572423275]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.31025403e-13  7.31025403e-13  7.31025403e-13 -2.37366782e-30
 -2.07923333e-61  8.55695884e-62]
energy per atom =  -4.627797922671757
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0