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:
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
==== 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 15:16:22      -10.124145        0.5657
BFGS:    1 15:16:22      -10.136069        0.4176
BFGS:    2 15:16:22      -10.150076        0.0123
BFGS:    3 15:16:22      -10.150088        0.0004
BFGS:    4 15:16:22      -10.150088        0.0000
BFGS:    5 15:16:22      -10.150088        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.564973427107649e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2222252656472095, -9.045078454075446e-33, -1.071241638952701e-33], [-8.505548992817991e-33, 3.2222252656472095, 8.287647828741741e-18], [-4.3437357361221684e-33, 8.287647828741743e-18, 3.2222252656472095]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.56497343e-12 -1.56497343e-12 -1.56497343e-12  1.04589673e-28
 -3.09155828e-34  3.82062257e-50]
energy per atom =  -5.075043807735945
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0