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 12:37:40      -33.119513         0.810569
BFGS:    1 12:37:40      -33.151321         0.769349
BFGS:    2 12:37:40      -33.269745         0.580504
BFGS:    3 12:37:40      -33.354926         0.373092
BFGS:    4 12:37:40      -33.403439         0.145919
BFGS:    5 12:37:40      -33.413549         0.038437
BFGS:    6 12:37:40      -33.413732         0.039375
BFGS:    7 12:37:40      -33.414003         0.034639
BFGS:    8 12:37:40      -33.414401         0.019225
BFGS:    9 12:37:40      -33.414620         0.010032
BFGS:   10 12:37:40      -33.414675         0.007862
BFGS:   11 12:37:40      -33.414683         0.006483
BFGS:   12 12:37:40      -33.414688         0.004818
BFGS:   13 12:37:40      -33.414693         0.002211
BFGS:   14 12:37:40      -33.414695         0.001142
BFGS:   15 12:37:40      -33.414695         0.000210
BFGS:   16 12:37:40      -33.414695         0.000026
BFGS:   17 12:37:40      -33.414695         0.000001
BFGS:   18 12:37:40      -33.414695         0.000000
BFGS:   19 12:37:40      -33.414695         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.8603938593238345e-10 eV/Angstrom
Maximum stress component: 5.7798112191791905e-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([4.76890457964564, 4.76890457964564, 4.76890457964564])
forces =  [[-3.86039386e-10 -3.86039386e-10 -3.86039386e-10]
 [ 3.86039386e-10  3.86039386e-10 -3.86039386e-10]
 [ 3.86039386e-10 -3.86039386e-10  3.86039386e-10]
 [-3.86039386e-10  3.86039386e-10  3.86039386e-10]
 [ 2.94718836e-10  2.94718836e-10  2.94718836e-10]
 [-2.94718836e-10 -2.94718836e-10  2.94718836e-10]
 [-2.94718836e-10  2.94718836e-10 -2.94718836e-10]
 [ 2.94718836e-10 -2.94718836e-10 -2.94718836e-10]]
stress =  [5.77981122e-11 5.77981122e-11 5.77981122e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -4.17683693133726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0