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:
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. ]
 [0.5 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 14:43:07       -6.486282        2.4069
BFGS:    1 14:43:07       -6.706177        1.8663
BFGS:    2 14:43:07       -6.933068        1.1762
BFGS:    3 14:43:07       -7.062663        0.5550
BFGS:    4 14:43:07       -7.102698        0.0786
BFGS:    5 14:43:07       -7.103759        0.0171
BFGS:    6 14:43:07       -7.103810        0.0005
BFGS:    7 14:43:07       -7.103810        0.0000
BFGS:    8 14:43:07       -7.103810        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0622164035619297e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.135454148887562, 4.1515809830589514e-33, -1.0544550628017635e-32], [-1.819918431282729e-32, 3.135454148887562, 1.5098885234362346e-17], [1.1542098544312582e-32, 1.509888523436233e-17, 3.135454148887562]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.06221640e-10 -1.06221640e-10 -1.06221640e-10 -4.59362253e-27
 -5.22406184e-35 -1.57004433e-51]
energy per atom =  -3.5519049339264837
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0