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 12:57:49      -12.591260         0.092698
BFGS:    1 12:57:49      -12.591394         0.084276
BFGS:    2 12:57:49      -12.591874         0.046748
BFGS:    3 12:57:49      -12.591941         0.047034
BFGS:    4 12:57:50      -12.592588         0.020736
BFGS:    5 12:57:50      -12.592625         0.002512
BFGS:    6 12:57:50      -12.592625         0.000068
BFGS:    7 12:57:50      -12.592625         0.000000
BFGS:    8 12:57:50      -12.592625         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.628784492398867e-32 eV/Angstrom
Maximum stress component: 1.7958456118432415e-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([[3.2188423900067904, -4.618775279206714e-18, -9.072368411045422e-38], [-1.6094211950033952, 2.787599280524097, -8.606020453103114e-38], [-4.721268613284904e-37, -8.478039519148608e-37, 5.25809119662274]])
forces =  [[ 4.62878449e-32 -3.43598139e-32  3.15270091e-70]
 [-4.62878449e-32  3.43598139e-32 -3.15270091e-70]]
stress =  [-1.15830196e-10 -1.15830196e-10 -1.79584561e-10 -2.24249113e-33
 -8.52603617e-47  1.45464165e-26]
energy per atom =  -6.296312721787974
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0