element(s):
['Cu', 'Zr']
AFLOW prototype label:
A5B_cF24_216_ae_c
Parameter names:
['a', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8929', '0.62583382']
model name:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.62583382 0.62583382 0.62583382]
 [0.25       0.25       0.25      ]]
spacegroup =  216
cell =  [[6.8929, 0, 0], [0, 6.8929, 0], [0, 0, 6.8929]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:13:11      -96.046234         0.379662
BFGS:    1 11:13:11      -96.059189         0.373622
BFGS:    2 11:13:11      -96.086160         0.340291
BFGS:    3 11:13:11      -96.097443         0.320398
BFGS:    4 11:13:11      -96.133570         0.257660
BFGS:    5 11:13:11      -96.166983         0.260104
BFGS:    6 11:13:11      -96.196654         0.228827
BFGS:    7 11:13:11      -96.219482         0.159444
BFGS:    8 11:13:11      -96.231136         0.049508
BFGS:    9 11:13:11      -96.231728         0.010405
BFGS:   10 11:13:11      -96.231773         0.002160
BFGS:   11 11:13:11      -96.231779         0.000110
BFGS:   12 11:13:12      -96.231779         0.000011
BFGS:   13 11:13:12      -96.231779         0.000000
BFGS:   14 11:13:12      -96.231779         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.343711285429171e-10 eV/Angstrom
Maximum stress component: 4.721713844310569e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[2.56665264e-34 6.42007995e-34 2.56784659e-34]
 [6.41923631e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.66372651e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.45704990e-34]
 [6.25289388e-01 6.25289388e-01 6.25289388e-01]
 [3.74710612e-01 3.74710612e-01 6.25289388e-01]
 [3.74710612e-01 6.25289388e-01 3.74710612e-01]
 [6.25289388e-01 3.74710612e-01 3.74710612e-01]
 [6.25289388e-01 1.25289388e-01 1.25289388e-01]
 [3.74710612e-01 8.74710612e-01 1.25289388e-01]
 [3.74710612e-01 1.25289388e-01 8.74710612e-01]
 [6.25289388e-01 8.74710612e-01 8.74710612e-01]
 [1.25289388e-01 6.25289388e-01 1.25289388e-01]
 [8.74710612e-01 3.74710612e-01 1.25289388e-01]
 [8.74710612e-01 6.25289388e-01 8.74710612e-01]
 [1.25289388e-01 3.74710612e-01 8.74710612e-01]
 [1.25289388e-01 1.25289388e-01 6.25289388e-01]
 [8.74710612e-01 8.74710612e-01 6.25289388e-01]
 [8.74710612e-01 1.25289388e-01 3.74710612e-01]
 [1.25289388e-01 8.74710612e-01 3.74710612e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.806563965421591, 2.832791187373955e-33, 1.3113984643883346e-32], [-1.3322521266713223e-33, 6.806563965421591, 1.591029073938958e-20], [6.081963988969746e-33, 1.591029073940196e-20, 6.806563965421591]])
forces =  [[-7.86537922e-33 -6.99144819e-33 -1.04871723e-32]
 [ 6.99144819e-33 -1.04871723e-32 -6.99144819e-33]
 [-5.24358614e-33 -6.99144819e-33 -1.39828964e-32]
 [-3.49572410e-33 -5.24358614e-33 -5.24358614e-33]
 [-4.34371129e-10 -4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10  4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10 -4.34371129e-10  4.34371129e-10]
 [-4.34371129e-10  4.34371129e-10  4.34371129e-10]
 [-4.34371129e-10 -4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10  4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10 -4.34371129e-10  4.34371129e-10]
 [-4.34371129e-10  4.34371129e-10  4.34371129e-10]
 [-4.34371129e-10 -4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10  4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10 -4.34371129e-10  4.34371129e-10]
 [-4.34371129e-10  4.34371129e-10  4.34371129e-10]
 [-4.34371129e-10 -4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10  4.34371129e-10 -4.34371129e-10]
 [ 4.34371129e-10 -4.34371129e-10  4.34371129e-10]
 [-4.34371129e-10  4.34371129e-10  4.34371129e-10]
 [-9.96281367e-32  8.38973783e-32  6.99144819e-32]
 [ 4.19486892e-32 -6.99144819e-32  2.79657928e-32]
 [-5.59315855e-32  1.25846067e-31 -2.79657928e-32]
 [-1.32837516e-31 -9.78802747e-32 -3.14615169e-32]]
stress =  [ 4.72171384e-11  4.72171384e-11  4.72171384e-11  1.08286015e-26
  8.86836061e-35 -8.20884146e-52]
energy per atom =  -4.009657460159274
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0