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_Mendelev_2007_Zr__MO_848899341753_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 14:17:04      -13.269357         0.032633
BFGS:    1 14:17:04      -13.269371         0.026825
BFGS:    2 14:17:04      -13.269405         0.011933
BFGS:    3 14:17:04      -13.269409         0.010637
BFGS:    4 14:17:04      -13.269418         0.002336
BFGS:    5 14:17:04      -13.269418         0.000573
BFGS:    6 14:17:04      -13.269418         0.000015
BFGS:    7 14:17:04      -13.269418         0.000001
BFGS:    8 14:17:04      -13.269418         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.2464137061602044e-32 eV/Angstrom
Maximum stress component: 3.621422612626411e-10 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([[3.234055279351758, 3.0189629437752883e-19, 9.104598063792344e-39], [-1.617027639675879, 2.8007740291618006, 2.4257494004778153e-38], [1.0678169329841139e-37, 3.528924799356853e-37, 5.167650128094109]])
forces =  [[ 2.32533052e-32 -1.72611026e-32 -4.24641371e-32]
 [-2.32533052e-32  1.72611026e-32  4.24641371e-32]]
stress =  [ 3.56364308e-10  3.56364308e-10  3.62142261e-10 -1.41937789e-33
 -1.57932647e-47  6.75674406e-26]
energy per atom =  -6.634709195217878
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0