element(s):
['Zr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5286']
model name:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:26      -25.196685         0.182066
BFGS:    1 16:25:26      -25.198018         0.159576
BFGS:    2 16:25:27      -25.202499         0.003247
BFGS:    3 16:25:27      -25.202501         0.000060
BFGS:    4 16:25:27      -25.202501         0.000000
BFGS:    5 16:25:27      -25.202501         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.037211659346244e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.552880353065162, 6.857954946399655e-34, -2.4429646080822454e-35], [1.3677390553901998e-33, 4.552880353065162, 1.0240149636653508e-21], [4.6314950003352164e-36, 1.024014963665231e-21, 4.552880353065162]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.03721166e-15 -6.03721166e-15 -6.03721166e-15 -8.58479624e-33
 -1.27752883e-35 -6.96573294e-54]
energy per atom =  -6.300625231940183
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0