element(s):
['Al', 'Pd']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2214', '1.2274127', '0.64555337', '0.15947185']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35444663]
 [0.33333333 0.66666667 0.84052815]]
spacegroup =  164
cell =  [[4.2214, 0, 0], [-2.1107, 3.6558396395356, 0], [0, 0, 5.1814]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:00:06      -15.847714        1.6240
BFGS:    1 17:00:06      -15.945077        1.4748
BFGS:    2 17:00:06      -16.124955        1.1655
BFGS:    3 17:00:06      -16.265054        0.8620
BFGS:    4 17:00:06      -16.367103        0.5787
BFGS:    5 17:00:06      -16.436022        0.3557
BFGS:    6 17:00:06      -16.474793        0.1591
BFGS:    7 17:00:06      -16.483743        0.1139
BFGS:    8 17:00:06      -16.484148        0.1023
BFGS:    9 17:00:06      -16.485524        0.0471
BFGS:   10 17:00:06      -16.486151        0.0607
BFGS:   11 17:00:06      -16.486542        0.0707
BFGS:   12 17:00:06      -16.486801        0.0673
BFGS:   13 17:00:06      -16.487244        0.0488
BFGS:   14 17:00:06      -16.487631        0.0214
BFGS:   15 17:00:06      -16.487821        0.0133
BFGS:   16 17:00:06      -16.487856        0.0046
BFGS:   17 17:00:06      -16.487858        0.0040
BFGS:   18 17:00:06      -16.487859        0.0042
BFGS:   19 17:00:06      -16.487861        0.0045
BFGS:   20 17:00:06      -16.487864        0.0041
BFGS:   21 17:00:06      -16.487868        0.0025
BFGS:   22 17:00:06      -16.487870        0.0011
BFGS:   23 17:00:06      -16.487870        0.0002
BFGS:   24 17:00:06      -16.487870        0.0000
BFGS:   25 17:00:06      -16.487870        0.0000
BFGS:   26 17:00:06      -16.487870        0.0000
BFGS:   27 17:00:06      -16.487870        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.9002796727667086e-09 eV/Angstrom
Maximum stress component: 2.31076736393932e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.36715048]
 [0.66666667 0.33333333 0.63284952]
 [0.33333333 0.66666667 0.86473915]
 [0.66666667 0.33333333 0.13526085]]
cellpar =  Cell([[4.4539717982718585, 5.373204638865093e-18, 8.439087964058092e-38], [-2.2269858991359293, 3.857252725042889, 9.181899604908525e-37], [-1.4416890326859266e-36, 4.6985095869697175e-37, 5.485666090749842]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.40493478e-32 -7.92405176e-32 -1.90027967e-09]
 [-9.14990683e-33 -4.75443106e-32  1.90027967e-09]
 [ 2.51622438e-32 -1.98101294e-32 -5.45325843e-10]
 [-3.65996273e-32  3.16962070e-32  5.45325843e-10]]
stress =  [-2.31076736e-11 -2.31076736e-11 -5.19038767e-12 -6.79392340e-48
 -9.46135316e-48  8.04924703e-27]
energy per atom =  -3.297574083586789
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0