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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
==== 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 17:24:07      -25.752111        0.1459
BFGS:    1 17:24:07      -25.752951        0.1228
BFGS:    2 17:24:07      -25.755096        0.0088
BFGS:    3 17:24:07      -25.755108        0.0006
BFGS:    4 17:24:07      -25.755108        0.0000
BFGS:    5 17:24:07      -25.755108        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.4630802313942474e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.64869585e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.29739170e-36]]
cellpar =  Cell([[4.5445241132836465, 1.2153859517823063e-33, 4.0270333843902987e-35], [-6.780546909923762e-33, 4.5445241132836465, -2.0760723733310575e-19], [-6.435050776510348e-34, -2.0760723733310192e-19, 4.5445241132836465]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.46308023e-11 -3.46308023e-11 -3.46308023e-11 -2.45739160e-29
  4.35181518e-35  9.11630014e-52]
energy per atom =  -6.438777010765048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0