element(s):
['Cu', 'Zr']
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:
['3.2717']
model name:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2717, 0, 0], [0, 3.2717, 0], [0, 0, 3.2717]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:16:06      -10.044981        0.7391
BFGS:    1 15:16:06      -10.066096        0.5929
BFGS:    2 15:16:06      -10.100289        0.0836
BFGS:    3 15:16:06      -10.100888        0.0077
BFGS:    4 15:16:06      -10.100893        0.0001
BFGS:    5 15:16:06      -10.100893        0.0000
BFGS:    6 15:16:06      -10.100893        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.992399437139721e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1923191116997383, -2.5558436899351635e-33, -4.328303989409804e-33], [-1.5964973540726555e-35, 3.1923191116997383, 3.5265506995571977e-22], [2.9366716428829325e-33, 3.526550699525048e-22, 3.1923191116997383]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.99239944e-14  6.99239944e-14  6.99239944e-14 -1.22932058e-29
  1.00792129e-34  5.45963050e-51]
energy per atom =  -5.0504467083187325
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0