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 15:37:36      -25.752111         0.145887
BFGS:    1 15:37:36      -25.752951         0.122763
BFGS:    2 15:37:36      -25.755096         0.008838
BFGS:    3 15:37:36      -25.755108         0.000562
BFGS:    4 15:37:36      -25.755108         0.000003
BFGS:    5 15:37:36      -25.755108         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.463067821666346e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [6.0224371e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 5.2973917e-36 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 5.2973917e-36]]
cellpar =  Cell([[4.544524113286609, 1.8073236394157514e-33, -1.678786284565233e-32], [2.950747451348152e-33, 4.544524113286609, 3.6860588199169575e-19], [2.0276933855659023e-32, 3.686058819916568e-19, 4.544524113286609]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.46306782e-11 -3.46306782e-11 -3.46306782e-11 -1.55820321e-26
 -3.89426814e-58 -7.34358973e-63]
energy per atom =  -6.438777010765034
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0