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_2004NISTretabulation_Zr__MO_380166217430_000
==== 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 15:17:08      -12.717585         0.175094
BFGS:    1 15:17:08      -12.718368         0.136896
BFGS:    2 15:17:08      -12.719662         0.093241
BFGS:    3 15:17:08      -12.719778         0.082331
BFGS:    4 15:17:08      -12.720104         0.002819
BFGS:    5 15:17:08      -12.720105         0.000156
BFGS:    6 15:17:08      -12.720105         0.000000
BFGS:    7 15:17:08      -12.720105         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.424672561228649e-32 eV/Angstrom
Maximum stress component: 9.409512321082887e-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([[3.2082482265157966, -9.015371276323267e-19, -3.9344464685754605e-41], [-1.6041241132578983, 2.7784244658090524, 2.5771129679363665e-40], [1.1660706256105425e-37, -3.3811110187537057e-37, 5.202242329985974]])
forces =  [[-6.59078542e-33  3.42467256e-32 -2.13741958e-32]
 [ 6.59078542e-33 -3.42467256e-32  2.13741958e-32]]
stress =  [-1.79072621e-11 -1.79072621e-11  9.40951232e-11  1.06596096e-34
 -6.15432848e-35 -2.39240476e-27]
energy per atom =  -6.360052381863435
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0