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 16:06:47      -36.165058         1.472237
BFGS:    1 16:06:47      -36.256452         1.424843
BFGS:    2 16:06:48      -36.461832         1.313962
BFGS:    3 16:06:49      -36.650755         1.205369
BFGS:    4 16:06:49      -36.823538         1.098667
BFGS:    5 16:06:50      -36.980423         0.993299
BFGS:    6 16:06:51      -37.121557         0.888523
BFGS:    7 16:06:51      -37.246965         0.783467
BFGS:    8 16:06:52      -37.356545         0.677386
BFGS:    9 16:06:53      -37.450129         0.570320
BFGS:   10 16:06:53      -37.527681         0.464146
BFGS:   11 16:06:54      -37.589637         0.363320
BFGS:   12 16:06:55      -37.637237         0.273619
BFGS:   13 16:06:55      -37.672447         0.198178
BFGS:   14 16:06:56      -37.697268         0.134107
BFGS:   15 16:06:57      -37.712872         0.073907
BFGS:   16 16:06:57      -37.719252         0.010053
BFGS:   17 16:06:58      -37.719363         0.000688
BFGS:   18 16:06:59      -37.719363         0.000007
BFGS:   19 16:07:00      -37.719363         0.000000
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