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 17:24:44      -25.196685        0.1821
BFGS:    1 17:24:44      -25.198018        0.1596
BFGS:    2 17:24:44      -25.202499        0.0032
BFGS:    3 17:24:44      -25.202501        0.0001
BFGS:    4 17:24:44      -25.202501        0.0000
BFGS:    5 17:24:44      -25.202501        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.037211659346241e-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, 7.034210579912055e-34, 6.516915357962748e-36], [1.3695016117379634e-33, 4.552880353065162, 1.0240149636653262e-21], [7.191863246651959e-36, 1.0240149636652256e-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 -3.32823060e-33
 -1.27752883e-35  1.95226793e-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