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 16:05:52      -36.165058         1.472237
BFGS:    1 16:05:52      -36.256452         1.424843
BFGS:    2 16:05:52      -36.461832         1.313962
BFGS:    3 16:05:52      -36.650755         1.205369
BFGS:    4 16:05:52      -36.823538         1.098667
BFGS:    5 16:05:52      -36.980423         0.993299
BFGS:    6 16:05:52      -37.121557         0.888523
BFGS:    7 16:05:52      -37.246965         0.783467
BFGS:    8 16:05:52      -37.356545         0.677386
BFGS:    9 16:05:53      -37.450129         0.570320
BFGS:   10 16:05:53      -37.527681         0.464146
BFGS:   11 16:05:53      -37.589637         0.363320
BFGS:   12 16:05:53      -37.637237         0.273619
BFGS:   13 16:05:53      -37.672447         0.198178
BFGS:   14 16:05:53      -37.697268         0.134107
BFGS:   15 16:05:53      -37.712872         0.073907
BFGS:   16 16:05:53      -37.719252         0.010053
BFGS:   17 16:05:53      -37.719363         0.000688
BFGS:   18 16:05:53      -37.719363         0.000007
BFGS:   19 16:05:54      -37.719363         0.000000
Minimization converged after 19 steps.
Maximum force component: 4.578218794680258e-31 eV/Angstrom
Maximum stress component: 2.2623142628389882e-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]
 [7.23487926e-65 7.50645205e-17 7.50645205e-17]
 [1.08609998e-49 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([[6.299859822960268, -1.5498498741299376e-32, -1.6214860093783172e-32], [-1.0967069137597918e-32, 6.299859822960268, -2.614211394440399e-18], [1.79339865236765e-32, -2.614211394440419e-18, 6.299859822960268]])
forces =  [[ 5.50033353e-32 -1.94129419e-31  1.94129419e-32]
 [-6.14743160e-32  3.81787857e-31 -3.23549031e-32]
 [ 5.82388257e-32 -6.14743160e-32 -2.20013341e-31]
 [-1.19713142e-31  3.33255502e-31 -9.05937288e-32]
 [ 1.39126084e-31 -2.50677436e-31  1.61774516e-31]
 [-1.58539025e-31  2.45897264e-31 -1.29419613e-32]
 [-5.50033353e-32  1.81187458e-31  4.85323547e-33]
 [ 1.19713142e-31 -1.90893929e-31  4.57821879e-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 =  [-2.26231426e-10 -2.26231426e-10 -2.26231426e-10  6.13408063e-27
  3.88211772e-35 -1.38012466e-51]
energy per atom =  -3.1432802721657964
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0