element(s):
['Al', 'Ni']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8655']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8655, 0, 0], [0, 2.8655, 0], [0, 0, 2.8655]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:00:43       -8.990598         0.064373
BFGS:    1 17:00:43       -8.990743         0.040798
BFGS:    2 17:00:43       -8.990840         0.000392
BFGS:    3 17:00:43       -8.990840         0.000002
BFGS:    4 17:00:43       -8.990840         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.248787436208398e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8619238638360094, 1.0974426899771826e-38, -4.044801270659614e-33], [-1.0931641930487595e-38, 2.8619238638360094, 2.8716482070458865e-23], [-2.0302978876499575e-33, 2.871648207333345e-23, 2.8619238638360094]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.24878744e-12  9.24878744e-12  9.24878744e-12 -4.10728666e-27
 -1.04834934e-60 -3.76812270e-66]
energy per atom =  -4.479210724372556
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0