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_MendelevSunZhang_2019_CuZr__MO_609260676108_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 16:23:30      -25.752111         0.145887
BFGS:    1 16:23:30      -25.752951         0.122763
BFGS:    2 16:23:30      -25.755096         0.008838
BFGS:    3 16:23:31      -25.755108         0.000562
BFGS:    4 16:23:31      -25.755108         0.000003
BFGS:    5 16:23:31      -25.755108         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.46309748435614e-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([[4.5445241132866085, -1.3313384738095812e-32, 7.634662708809895e-34], [-1.537026521392192e-32, 4.5445241132866085, 3.974772248739125e-19], [1.7490644268712276e-33, 3.97477224873912e-19, 4.5445241132866085]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.46309748e-11 -3.46309748e-11 -3.46309748e-11 -1.68307935e-27
 -1.24337576e-35 -1.63862643e-52]
energy per atom =  -6.438777010765038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0