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 14:17:07      -12.937265         0.118146
BFGS:    1 14:17:07      -12.937532         0.104326
BFGS:    2 14:17:07      -12.938527         0.010400
BFGS:    3 14:17:07      -12.938530         0.004593
BFGS:    4 14:17:07      -12.938531         0.002610
BFGS:    5 14:17:07      -12.938532         0.000297
BFGS:    6 14:17:07      -12.938532         0.000078
BFGS:    7 14:17:07      -12.938532         0.000004
BFGS:    8 14:17:07      -12.938532         0.000000
BFGS:    9 14:17:07      -12.938532         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.0750256435955645e-32 eV/Angstrom
Maximum stress component: 4.1368227447991384e-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([[3.22029938774171, 3.6092560710389626e-18, 2.8199421463577945e-40], [-1.610149693870855, 2.788861077575795, -4.788610862030206e-38], [-5.300226117870068e-40, -9.005256906023376e-38, 5.215205988653036]])
forces =  [[ 1.07502564e-32 -7.16153475e-33 -1.07137295e-32]
 [-1.07502564e-32  7.16153475e-33  1.07137295e-32]]
stress =  [-4.13682274e-11 -4.13682274e-11  2.30858218e-11  1.76555347e-35
  3.05802831e-35  1.57368471e-26]
energy per atom =  -6.469265893624411
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0