element(s):
['Zr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5751']
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 =  229
cell =  [[3.5751, 0, 0], [0, 3.5751, 0], [0, 0, 3.5751]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:14:48      -12.554264        0.3075
BFGS:    1 18:14:48      -12.557702        0.2140
BFGS:    2 18:14:48      -12.560926        0.0007
BFGS:    3 18:14:48      -12.560926        0.0000
BFGS:    4 18:14:48      -12.560926        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.590350312274032e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.60098926661118, 9.033974750969045e-35, 8.200614096011984e-34], [-4.462148500891144e-34, 3.60098926661118, 2.5062455863508883e-22], [-1.3338197480686763e-34, 2.506245586356385e-22, 3.60098926661118]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.59035031e-11 -9.59035031e-11 -9.59035031e-11  2.74804579e-26
 -2.97048133e-35  7.92624699e-52]
energy per atom =  -6.280463066873726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0