element(s):
['Zr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5286']
model name:
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:25:01      -25.752111        0.1459
BFGS:    1 17:25:01      -25.752951        0.1228
BFGS:    2 17:25:01      -25.755096        0.0088
BFGS:    3 17:25:01      -25.755108        0.0006
BFGS:    4 17:25:01      -25.755108        0.0000
BFGS:    5 17:25:01      -25.755108        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.462191896046496e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.544524113005133, -9.027728202015968e-34, 7.864072555193177e-34], [1.3560488975879154e-33, 4.544524113005133, 1.2044072586625985e-19], [-1.0981225450274008e-32, 1.2044072586627114e-19, 4.544524113005133]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.46219190e-11 -3.46219190e-11 -3.46219190e-11 -8.93560293e-27
  3.07907842e-59 -1.60045922e-60]
energy per atom =  -6.438777010766627
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0