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:
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_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 16:27:52      -19.816336         0.858262
BFGS:    1 16:27:52      -19.854819         0.811840
BFGS:    2 16:27:52      -19.969857         0.585552
BFGS:    3 16:27:52      -20.021460         0.327353
BFGS:    4 16:27:52      -20.029594         0.374539
BFGS:    5 16:27:53      -20.037651         0.353022
BFGS:    6 16:27:53      -20.053595         0.206718
BFGS:    7 16:27:53      -20.058620         0.160645
BFGS:    8 16:27:53      -20.061164         0.162429
BFGS:    9 16:27:53      -20.063017         0.174745
BFGS:   10 16:27:53      -20.066217         0.150239
BFGS:   11 16:27:53      -20.068860         0.082357
BFGS:   12 16:27:53      -20.069903         0.037814
BFGS:   13 16:27:53      -20.070034         0.022193
BFGS:   14 16:27:53      -20.070051         0.016555
BFGS:   15 16:27:53      -20.070067         0.012265
BFGS:   16 16:27:54      -20.070097         0.012706
BFGS:   17 16:27:54      -20.070126         0.008695
BFGS:   18 16:27:54      -20.070140         0.002780
BFGS:   19 16:27:54      -20.070143         0.000746
BFGS:   20 16:27:54      -20.070143         0.000065
BFGS:   21 16:27:54      -20.070143         0.000004
BFGS:   22 16:27:54      -20.070143         0.000000
BFGS:   23 16:27:54      -20.070143         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.61680032745604e-10 eV/Angstrom
Maximum stress component: 3.523851694344924e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.32570603]
 [0.66666667 0.33333333 0.67429397]
 [0.33333333 0.66666667 0.82074853]
 [0.66666667 0.33333333 0.17925147]]
cellpar =  Cell([[4.153235594437762, -2.9144958349412955e-18, 2.5099795111826427e-37], [-2.076617797218881, 3.5968075326848656, 1.0196320097626582e-37], [-9.282830004034589e-37, -9.699734524530552e-37, 4.968207885363138]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.84292133e-32  8.86681514e-32 -4.61680033e-10]
 [-8.63323370e-47 -5.91121010e-32  4.61680033e-10]
 [-5.11925811e-32 -2.95560505e-32 -3.42718427e-10]
 [ 3.41283874e-32 -8.86681514e-32  3.42718427e-10]]
stress =  [ 1.29545520e-10  1.29545520e-10  3.52385169e-10 -9.19691637e-34
 -1.59295264e-33 -2.93235893e-26]
energy per atom =  -4.014028522522598
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0