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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 12:37:43      -28.966051         1.007115
BFGS:    1 12:37:43      -29.018824         0.931803
BFGS:    2 12:37:43      -29.164786         0.684419
BFGS:    3 12:37:43      -29.264909         0.521079
BFGS:    4 12:37:43      -29.329891         0.357330
BFGS:    5 12:37:43      -29.364046         0.190648
BFGS:    6 12:37:43      -29.373150         0.144820
BFGS:    7 12:37:43      -29.376438         0.133928
BFGS:    8 12:37:43      -29.384457         0.066980
BFGS:    9 12:37:43      -29.386569         0.021186
BFGS:   10 12:37:43      -29.386868         0.006228
BFGS:   11 12:37:43      -29.386879         0.005328
BFGS:   12 12:37:43      -29.386883         0.004180
BFGS:   13 12:37:43      -29.386888         0.002567
BFGS:   14 12:37:43      -29.386892         0.001439
BFGS:   15 12:37:43      -29.386893         0.000405
BFGS:   16 12:37:43      -29.386893         0.000069
BFGS:   17 12:37:43      -29.386893         0.000005
BFGS:   18 12:37:43      -29.386893         0.000000
BFGS:   19 12:37:43      -29.386893         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.2640562901261685e-09 eV/Angstrom
Maximum stress component: 3.087865045190669e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.84984393 0.84984393 0.84984393]
 [0.65015607 0.15015607 0.34984393]
 [0.15015607 0.34984393 0.65015607]
 [0.34984393 0.65015607 0.15015607]
 [0.15082047 0.15082047 0.15082047]
 [0.34917953 0.84917953 0.65082047]
 [0.84917953 0.65082047 0.34917953]
 [0.65082047 0.34917953 0.84917953]]
cellpar =  Cell([5.049373575852346, 5.049373575852346, 5.049373575852346])
forces =  [[ 8.63025581e-10  8.63025581e-10  8.63025581e-10]
 [-8.63025581e-10 -8.63025581e-10  8.63025581e-10]
 [-8.63025581e-10  8.63025581e-10 -8.63025581e-10]
 [ 8.63025581e-10 -8.63025581e-10 -8.63025581e-10]
 [ 1.26405629e-09  1.26405629e-09  1.26405629e-09]
 [-1.26405629e-09 -1.26405629e-09  1.26405629e-09]
 [-1.26405629e-09  1.26405629e-09 -1.26405629e-09]
 [ 1.26405629e-09 -1.26405629e-09 -1.26405629e-09]]
stress =  [3.08786505e-10 3.08786505e-10 3.08786505e-10 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -3.6733616512252687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0