element(s):
['Zr']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.232', '1.6019183']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_Zr__MO_103270551167_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.232, 0, 0], [-1.616, 2.7989941050313, 0], [0, 0, 5.1774]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:12:46      -12.717585        0.1752
BFGS:    1 15:12:46      -12.718369        0.1372
BFGS:    2 15:12:46      -12.719660        0.0944
BFGS:    3 15:12:46      -12.719776        0.0826
BFGS:    4 15:12:46      -12.720106        0.0006
BFGS:    5 15:12:47      -12.720106        0.0000
BFGS:    6 15:12:47      -12.720106        0.0000
BFGS:    7 15:12:47      -12.720106        0.0000
Minimization converged after 7 steps.
Maximum force component: 2.965837767687658e-32 eV/Angstrom
Maximum stress component: 1.5388025025847738e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.208231275851786, 5.7828451358155575e-18, -6.07721055701775e-39], [-1.604115637925893, 2.778409786103408, -1.3089822681378106e-38], [-3.011748635487212e-37, -1.2961637141643497e-36, 5.202205406194534]])
forces =  [[-2.96583777e-32  1.71232723e-32 -4.32185590e-71]
 [ 2.96583777e-32 -1.71232723e-32  4.32185590e-71]]
stress =  [ 9.31221824e-13  9.31221824e-13  1.53880250e-11 -7.10649439e-34
  4.92352374e-34 -1.70825737e-28]
energy per atom =  -6.360052895929537
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0