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_MendelevSordeletKramer_2007_CuZr__MO_120596890176_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 14:17:07      -12.937266         0.118155
BFGS:    1 14:17:07      -12.937532         0.104337
BFGS:    2 14:17:07      -12.938527         0.010468
BFGS:    3 14:17:07      -12.938530         0.004591
BFGS:    4 14:17:07      -12.938531         0.002635
BFGS:    5 14:17:07      -12.938532         0.000291
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: 1.9846621660669102e-32 eV/Angstrom
Maximum stress component: 3.341577075032713e-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([[3.22029847816317, 1.802686222395146e-18, -2.1377543676081063e-39], [-1.610149239081585, 2.7888602898576726, -4.289322464912111e-39], [-1.2450248232374976e-36, 7.4451020321426316e-37, 5.215207017325554]])
forces =  [[ 1.98466217e-32 -1.14584524e-32  1.67402056e-34]
 [ 1.98466217e-32 -1.14584524e-32 -1.67402056e-34]]
stress =  [-3.34157708e-11 -3.34157708e-11  2.00502610e-11 -2.64833043e-35
  2.77010483e-47 -7.53324205e-27]
energy per atom =  -6.469265894730623
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0