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_Mendelev_2019_CuZr__MO_945018740343_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 17:24:39      -25.749402        0.1472
BFGS:    1 17:24:39      -25.750257        0.1239
BFGS:    2 17:24:39      -25.752442        0.0090
BFGS:    3 17:24:40      -25.752455        0.0006
BFGS:    4 17:24:40      -25.752455        0.0000
BFGS:    5 17:24:40      -25.752455        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.688524563844452e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.31075763e-37]]
cellpar =  Cell([[4.5446780952956995, -2.362967625564093e-33, -1.7224210332894693e-33], [-1.1269970915449461e-33, 4.5446780952956995, -1.683723231144867e-20], [-1.4351341271585252e-32, -1.6837232311438693e-20, 4.5446780952956995]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.68852456e-11 -3.68852456e-11 -3.68852456e-11  3.53063374e-29
 -2.18816562e-58 -3.56843198e-60]
energy per atom =  -6.438113660566922
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0