element(s):
['Al', 'Pd']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9161']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.9161, 0, 0], [0, 5.9161, 0], [0, 0, 5.9161]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:08:35      -36.165058        1.4722
BFGS:    1 15:08:35      -36.256452        1.4248
BFGS:    2 15:08:35      -36.461832        1.3140
BFGS:    3 15:08:35      -36.650755        1.2054
BFGS:    4 15:08:35      -36.823538        1.0987
BFGS:    5 15:08:35      -36.980423        0.9933
BFGS:    6 15:08:35      -37.121557        0.8885
BFGS:    7 15:08:35      -37.246965        0.7835
BFGS:    8 15:08:35      -37.356545        0.6774
BFGS:    9 15:08:35      -37.450129        0.5703
BFGS:   10 15:08:35      -37.527681        0.4641
BFGS:   11 15:08:35      -37.589637        0.3633
BFGS:   12 15:08:35      -37.637237        0.2736
BFGS:   13 15:08:35      -37.672447        0.1982
BFGS:   14 15:08:35      -37.697268        0.1341
BFGS:   15 15:08:35      -37.712872        0.0739
BFGS:   16 15:08:35      -37.719252        0.0101
BFGS:   17 15:08:35      -37.719363        0.0007
BFGS:   18 15:08:35      -37.719363        0.0000
BFGS:   19 15:08:35      -37.719363        0.0000
Minimization converged after 19 steps.
Maximum force component: 4.853235471392499e-31 eV/Angstrom
Maximum stress component: 2.2623198727188746e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [3.37627699e-64 7.50645205e-17 7.50645205e-17]
 [2.17219997e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50645205e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50645205e-17]]
cellpar =  Cell([[6.299859822960267, -5.3159542108035095e-33, -2.489510581296111e-32], [-2.688437013129703e-32, 6.299859822960267, -3.876355862088708e-17], [2.4818980830497633e-32, -3.8763558620887124e-17, 6.299859822960267]])
forces =  [[-9.86824546e-32  4.56204134e-31  3.88258838e-31]
 [ 1.12433288e-31 -4.19804868e-31 -3.25166777e-31]
 [-1.03535690e-31  4.52968644e-31  1.31037358e-31]
 [ 8.57404933e-32 -3.97965309e-31 -1.26184122e-31]
 [-9.70647094e-33  4.28702467e-31  3.26784522e-31]
 [-1.13242161e-32 -4.56204134e-31 -4.14142760e-31]
 [-8.08872579e-34 -4.85323547e-31 -1.06771180e-31]
 [-2.75016677e-32  4.15760505e-31  1.06771180e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.26231987e-10 -2.26231987e-10 -2.26231987e-10  2.30507298e-28
 -5.17615696e-35  3.73826298e-52]
energy per atom =  -3.1432802721657915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0