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_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
==== 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      -10.038455        0.3418
BFGS:    1 15:16:22      -10.043029        0.2826
BFGS:    2 15:16:22      -10.052377        0.0277
BFGS:    3 15:16:22      -10.052451        0.0036
BFGS:    4 15:16:22      -10.052453        0.0001
BFGS:    5 15:16:22      -10.052453        0.0000
BFGS:    6 15:16:22      -10.052453        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.38308888405316e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.228568115993402, -1.0796493785316676e-32, 1.2901394393700179e-33], [-6.378920342365619e-33, 3.228568115993402, 8.56571443808457e-18], [2.7364315441481173e-34, 8.565714438084573e-18, 3.228568115993402]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.38308888e-13  5.38308888e-13  5.38308888e-13 -8.47376136e-30
 -2.95624594e-34 -4.64887189e-51]
energy per atom =  -5.0262263752665906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0