element(s):
['Al', 'Pd']
AFLOW prototype label:
AB_cP8_198_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8859', '0.84377254', '0.14788294']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.84377254 0.84377254 0.84377254]
 [0.14788294 0.14788294 0.14788294]]
spacegroup =  198
cell =  [[4.8859, 0, 0], [0, 4.8859, 0], [0, 0, 4.8859]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:23:05      -33.119513        0.8106
BFGS:    1 15:23:05      -33.151321        0.7693
BFGS:    2 15:23:05      -33.269745        0.5805
BFGS:    3 15:23:05      -33.354926        0.3731
BFGS:    4 15:23:05      -33.403439        0.1459
BFGS:    5 15:23:05      -33.413549        0.0384
BFGS:    6 15:23:05      -33.413732        0.0394
BFGS:    7 15:23:05      -33.414003        0.0346
BFGS:    8 15:23:05      -33.414401        0.0192
BFGS:    9 15:23:05      -33.414620        0.0100
BFGS:   10 15:23:05      -33.414675        0.0079
BFGS:   11 15:23:05      -33.414683        0.0065
BFGS:   12 15:23:05      -33.414688        0.0048
BFGS:   13 15:23:05      -33.414693        0.0022
BFGS:   14 15:23:05      -33.414695        0.0011
BFGS:   15 15:23:05      -33.414695        0.0002
BFGS:   16 15:23:05      -33.414695        0.0000
BFGS:   17 15:23:05      -33.414695        0.0000
BFGS:   18 15:23:05      -33.414695        0.0000
BFGS:   19 15:23:05      -33.414695        0.0000
Minimization converged after 19 steps.
Maximum force component: 3.8603922778342647e-10 eV/Angstrom
Maximum stress component: 5.7797453468708317e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.83982949 0.83982949 0.83982949]
 [0.66017051 0.16017051 0.33982949]
 [0.16017051 0.33982949 0.66017051]
 [0.33982949 0.66017051 0.16017051]
 [0.15665907 0.15665907 0.15665907]
 [0.34334093 0.84334093 0.65665907]
 [0.84334093 0.65665907 0.34334093]
 [0.65665907 0.34334093 0.84334093]]
cellpar =  Cell([4.768904579645639, 4.768904579645639, 4.768904579645639])
forces =  [[-3.86039228e-10 -3.86039228e-10 -3.86039228e-10]
 [ 3.86039228e-10  3.86039228e-10 -3.86039228e-10]
 [ 3.86039228e-10 -3.86039228e-10  3.86039228e-10]
 [-3.86039228e-10  3.86039228e-10  3.86039228e-10]
 [ 2.94718168e-10  2.94718168e-10  2.94718168e-10]
 [-2.94718168e-10 -2.94718168e-10  2.94718168e-10]
 [-2.94718168e-10  2.94718168e-10 -2.94718168e-10]
 [ 2.94718168e-10 -2.94718168e-10 -2.94718168e-10]]
stress =  [5.77974535e-11 5.77974535e-11 5.77974535e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -4.176836931337259
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0