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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:00:34      -58.058444        9.9382
BFGS:    1 17:00:34      -59.478445        8.5656
BFGS:    2 17:00:34      -60.604024        7.0217
BFGS:    3 17:00:34      -61.449987        5.0767
BFGS:    4 17:00:34      -61.974768        2.7009
BFGS:    5 17:00:34      -62.136281        0.3639
BFGS:    6 17:00:34      -62.138297        0.0665
BFGS:    7 17:00:34      -62.138440        0.0310
BFGS:    8 17:00:34      -62.138472        0.0306
BFGS:    9 17:00:34      -62.138479        0.0035
BFGS:   10 17:00:34      -62.138479        0.0002
BFGS:   11 17:00:34      -62.138479        0.0000
BFGS:   12 17:00:34      -62.138479        0.0000
BFGS:   13 17:00:34      -62.138479        0.0000
BFGS:   14 17:00:34      -62.138479        0.0000
BFGS:   15 17:00:34      -62.138479        0.0000
Minimization converged after 15 steps.
Maximum force component: 8.596811758559281e-10 eV/Angstrom
Maximum stress component: 2.2717275304946095e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35236848]
 [0.66666667 0.33333333 0.64763152]
 [0.33333333 0.66666667 0.84490201]
 [0.66666667 0.33333333 0.15509799]]
cellpar =  Cell([[4.0127397602034245, 2.7165259879770347e-17, -6.53642915594064e-36], [-2.0063698801017122, 3.4751345711120423, -5.245201658061908e-38], [-2.8939732208971665e-36, -1.735471006664487e-36, 4.967657994097599]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.27582253e-31  2.96761424e-46 -8.59681176e-10]
 [ 2.63791127e-31 -4.56899634e-31  8.59681176e-10]
 [-3.54156324e-46 -2.12382073e-46  6.07928049e-10]
 [ 3.54156324e-46  2.12382073e-46 -6.07928049e-10]]
stress =  [-1.73291628e-11 -1.73291628e-11  2.27172753e-11  1.67061825e-46
  7.93586656e-47  3.38998024e-27]
energy per atom =  -12.427695887211364
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0