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 16:43:55      -96.046234         0.379662
BFGS:    1 16:43:55      -96.059189         0.373622
BFGS:    2 16:43:55      -96.086160         0.340291
BFGS:    3 16:43:55      -96.097443         0.320398
BFGS:    4 16:43:56      -96.133570         0.257660
BFGS:    5 16:43:56      -96.166983         0.260104
BFGS:    6 16:43:56      -96.196654         0.228827
BFGS:    7 16:43:56      -96.219482         0.159444
BFGS:    8 16:43:57      -96.231136         0.049508
BFGS:    9 16:43:57      -96.231728         0.010405
BFGS:   10 16:43:57      -96.231773         0.002160
BFGS:   11 16:43:57      -96.231779         0.000110
BFGS:   12 16:43:57      -96.231779         0.000011
BFGS:   13 16:43:58      -96.231779         0.000000
BFGS:   14 16:43:58      -96.231779         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.3435899292209584e-10 eV/Angstrom
Maximum stress component: 4.7218125938575865e-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 =  [[1.27893785e-34 1.27893785e-34 1.28117129e-34]
 [1.26937696e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.07379654e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.41475931e-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([[6.806563965421595, 4.498076343146398e-34, -5.528239459420462e-35], [7.273390583228648e-33, 6.806563965421595, -1.6055622264733077e-18], [4.2685577760615685e-34, -1.6055622264733077e-18, 6.806563965421595]])
forces =  [[ 1.39828964e-32  9.61324126e-33 -2.26761360e-51]
 [-3.49572410e-33 -2.06146691e-52  8.73931024e-34]
 [ 2.79657928e-32  6.11751717e-33 -6.99144819e-33]
 [-6.99144819e-33  2.09743446e-32  6.99144819e-33]
 [-4.34358993e-10 -4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10  4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10 -4.34358993e-10  4.34358993e-10]
 [-4.34358993e-10  4.34358993e-10  4.34358993e-10]
 [-4.34358993e-10 -4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10  4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10 -4.34358993e-10  4.34358993e-10]
 [-4.34358993e-10  4.34358993e-10  4.34358993e-10]
 [-4.34358993e-10 -4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10  4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10 -4.34358993e-10  4.34358993e-10]
 [-4.34358993e-10  4.34358993e-10  4.34358993e-10]
 [-4.34358993e-10 -4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10  4.34358993e-10 -4.34358993e-10]
 [ 4.34358993e-10 -4.34358993e-10  4.34358993e-10]
 [-4.34358993e-10  4.34358993e-10  4.34358993e-10]
 [-8.38973783e-32  2.20230618e-31  8.38973783e-31]
 [ 4.19486892e-32  6.71179026e-31 -2.23726342e-31]
 [ 6.57196130e-31  1.39828964e-32  5.31350063e-31]
 [-4.19486892e-32  1.06270013e-30  1.95760549e-31]]
stress =  [ 4.72181259e-11  4.72181259e-11  4.72181259e-11 -4.80246205e-28
 -8.86836061e-35  7.00875985e-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