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 17:39:47      -58.058444         9.938165
BFGS:    1 17:39:47      -59.478445         8.565584
BFGS:    2 17:39:47      -60.604024         7.021682
BFGS:    3 17:39:47      -61.449987         5.076743
BFGS:    4 17:39:47      -61.974768         2.700864
BFGS:    5 17:39:47      -62.136281         0.363864
BFGS:    6 17:39:47      -62.138297         0.066549
BFGS:    7 17:39:47      -62.138440         0.030970
BFGS:    8 17:39:47      -62.138472         0.030577
BFGS:    9 17:39:47      -62.138479         0.003483
BFGS:   10 17:39:47      -62.138479         0.000181
BFGS:   11 17:39:47      -62.138479         0.000042
BFGS:   12 17:39:48      -62.138479         0.000012
BFGS:   13 17:39:48      -62.138479         0.000000
BFGS:   14 17:39:48      -62.138479         0.000000
BFGS:   15 17:39:48      -62.138479         0.000000
Minimization converged after 15 steps.
Maximum force component: 8.596203807911992e-10 eV/Angstrom
Maximum stress component: 2.2719019017180033e-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([[4.012739760203424, 8.581942245254338e-18, -4.007860927283627e-37], [-2.006369880101712, 3.475134571112041, -9.084901015970788e-37], [1.2048815026303464e-38, -4.5373672037675236e-36, 4.9676579940976]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.95686690e-31 -2.28449817e-31 -8.59620381e-10]
 [-3.95686690e-31  2.28449817e-31  8.59620381e-10]
 [ 1.47439152e-48 -5.55229351e-46  6.07883250e-10]
 [-1.47439152e-48  5.55229351e-46 -6.07883250e-10]]
stress =  [-1.73345799e-11 -1.73345799e-11  2.27190190e-11  7.61598128e-33
  1.31912665e-32  5.79440812e-27]
energy per atom =  -12.427695887211378
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0