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:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
==== 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 14:16:51      -12.591260         0.092698
BFGS:    1 14:16:51      -12.591394         0.084276
BFGS:    2 14:16:51      -12.591874         0.046748
BFGS:    3 14:16:51      -12.591941         0.047034
BFGS:    4 14:16:51      -12.592588         0.020736
BFGS:    5 14:16:51      -12.592625         0.002512
BFGS:    6 14:16:51      -12.592625         0.000068
BFGS:    7 14:16:51      -12.592625         0.000000
BFGS:    8 14:16:51      -12.592625         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.8929903077492856e-32 eV/Angstrom
Maximum stress component: 1.7958343048937659e-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([[3.218842390006783, -5.128048409167449e-18, 1.0518676274782684e-38], [-1.6094211950033914, 2.7875992805240917, 1.2785664757381111e-38], [9.726356662059314e-38, -5.4078567915069785e-37, 5.258091196622749]])
forces =  [[-2.89299031e-32  2.72015194e-32  8.15455277e-71]
 [ 2.89299031e-32 -2.72015194e-32 -8.15455277e-71]]
stress =  [-1.15830228e-10 -1.15830228e-10 -1.79583430e-10  1.12124556e-33
  5.40908179e-47  2.93673230e-26]
energy per atom =  -6.296312721787993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0