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_MendelevSunZhang_2019_CuZr__MO_609260676108_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      -10.018494        0.0722
BFGS:    1 15:16:23      -10.018708        0.0663
BFGS:    2 15:16:23      -10.020119        0.0206
BFGS:    3 15:16:23      -10.020353        0.0101
BFGS:    4 15:16:23      -10.020454        0.0040
BFGS:    5 15:16:23      -10.020480        0.0014
BFGS:    6 15:16:23      -10.020484        0.0003
BFGS:    7 15:16:23      -10.020485        0.0000
BFGS:    8 15:16:23      -10.020485        0.0000
BFGS:    9 15:16:23      -10.020485        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.686642885489026e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.225118824976836, 1.2555306231118758e-32, 6.705652667868897e-33], [2.738313403602443e-33, 3.225118824976836, -5.310547763002687e-18], [-4.826853193928911e-33, -5.310547763002694e-18, 3.225118824976836]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.68664289e-11  4.68664289e-11  4.68664289e-11  2.75753603e-27
 -9.87524259e-35 -2.62312257e-51]
energy per atom =  -5.010242329196931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0