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_MendelevKramerOtt_2009_CuZr__MO_600021860456_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 16:02:41      -12.937266         0.118154
BFGS:    1 16:02:41      -12.937532         0.104337
BFGS:    2 16:02:41      -12.938527         0.010465
BFGS:    3 16:02:41      -12.938530         0.004589
BFGS:    4 16:02:41      -12.938531         0.002636
BFGS:    5 16:02:41      -12.938532         0.000289
BFGS:    6 16:02:41      -12.938532         0.000079
BFGS:    7 16:02:41      -12.938532         0.000004
BFGS:    8 16:02:41      -12.938532         0.000000
BFGS:    9 16:02:41      -12.938532         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.630878326033031e-32 eV/Angstrom
Maximum stress component: 3.101412236432427e-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([[3.2202984354265616, 5.441021403364141e-18, -1.9125900692954837e-37], [-1.6101492177132808, 2.7888602528466837, -1.2551069067967873e-36], [1.1800123578862304e-37, -3.781672317716598e-37, 5.215206998728298]])
forces =  [[ 4.63087833e-32 -3.43753566e-32  1.38987542e-68]
 [-4.63087833e-32  3.43753566e-32 -1.38987542e-68]]
stress =  [-3.10141224e-11 -3.10141224e-11  1.90412421e-11 -5.64977168e-34
  9.78569159e-34 -1.01581868e-26]
energy per atom =  -6.4692658948302695
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0