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 16:23:29      -25.752111         0.145887
BFGS:    1 16:23:29      -25.752951         0.122763
BFGS:    2 16:23:29      -25.755096         0.008838
BFGS:    3 16:23:29      -25.755108         0.000562
BFGS:    4 16:23:29      -25.755108         0.000003
BFGS:    5 16:23:29      -25.755108         0.000000
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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.50560928e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.544524113005133, -1.2655999147231347e-32, -8.201615991288802e-33], [-7.006963362849694e-33, 4.544524113005133, 1.26200347855069e-19], [-5.564867719947521e-34, 1.2620034785506065e-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 -2.17994642e-27
 -9.19227945e-61 -4.72188563e-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