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:
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002
==== 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 16:09:21      -44.997859         0.839412
BFGS:    1 16:09:21      -45.027664         0.817539
BFGS:    2 16:09:21      -45.143284         0.723218
BFGS:    3 16:09:21      -45.244370         0.623721
BFGS:    4 16:09:21      -45.330131         0.518848
BFGS:    5 16:09:21      -45.399745         0.408392
BFGS:    6 16:09:21      -45.452359         0.292140
BFGS:    7 16:09:21      -45.487087         0.169872
BFGS:    8 16:09:21      -45.503008         0.041359
BFGS:    9 16:09:21      -45.503976         0.001367
BFGS:   10 16:09:21      -45.503977         0.000010
BFGS:   11 16:09:21      -45.503977         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.445277012745777e-31 eV/Angstrom
Maximum stress component: 1.6166144157025833e-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]
 [0.00000000e+00 7.50645205e-17 7.50645205e-17]
 [9.55299519e-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([[5.72995382078085, 3.7178576409769775e-32, 2.859077122379418e-32], [2.735343664486441e-32, 5.72995382078085, 1.911714008426479e-17], [2.499392303709775e-32, 1.9117140084264788e-17, 5.72995382078085]])
forces =  [[ 4.56133572e-32  5.59131475e-31 -2.01581611e-31]
 [ 2.13352800e-32 -7.44527701e-31 -7.26870918e-31]
 [-3.53135669e-32  4.88504342e-31  1.76567834e-31]
 [-3.97277627e-32 -7.40113505e-31  6.53300987e-31]
 [ 5.66488468e-32  5.38531895e-31  4.41419586e-31]
 [ 4.52455075e-32 -4.62019166e-31  4.17877208e-31]
 [ 1.29483078e-31 -5.56188678e-31 -3.57549864e-31]
 [ 1.38311470e-31  5.82673853e-31 -4.87032943e-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 =  [ 1.61661442e-10  1.61661442e-10  1.61661442e-10 -2.40995919e-26
 -6.25701168e-35  2.19186316e-51]
energy per atom =  -3.7919981213250424
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0