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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_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 16:02:40      -12.937265         0.118146
BFGS:    1 16:02:40      -12.937532         0.104326
BFGS:    2 16:02:40      -12.938527         0.010400
BFGS:    3 16:02:40      -12.938530         0.004593
BFGS:    4 16:02:40      -12.938531         0.002610
BFGS:    5 16:02:40      -12.938532         0.000297
BFGS:    6 16:02:40      -12.938532         0.000078
BFGS:    7 16:02:40      -12.938532         0.000004
BFGS:    8 16:02:40      -12.938532         0.000000
BFGS:    9 16:02:40      -12.938532         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.6538856055316375e-32 eV/Angstrom
Maximum stress component: 4.136858004011529e-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([[3.2202993877417097, 3.609865934293231e-18, -1.2113739401679262e-37], [-1.6101496938708548, 2.788861077575794, -1.4619131313081573e-37], [5.1210128440030984e-39, 7.212445317965999e-37, 5.215205988653036]])
forces =  [[ 1.65388561e-32 -5.72922780e-33 -1.97386711e-70]
 [-1.65388561e-32  5.72922780e-33  1.97386711e-70]]
stress =  [-4.13685800e-11 -4.13685800e-11  2.30856594e-11 -1.05933208e-34
 -1.83481699e-34  5.74839842e-27]
energy per atom =  -6.469265893624415
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0