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_002
==== 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 17:40:04      -19.816336         0.858262
BFGS:    1 17:40:04      -19.854819         0.811840
BFGS:    2 17:40:04      -19.969857         0.585552
BFGS:    3 17:40:04      -20.021460         0.327353
BFGS:    4 17:40:04      -20.029594         0.374539
BFGS:    5 17:40:04      -20.037651         0.353022
BFGS:    6 17:40:04      -20.053595         0.206718
BFGS:    7 17:40:04      -20.058620         0.160645
BFGS:    8 17:40:04      -20.061164         0.162429
BFGS:    9 17:40:04      -20.063017         0.174745
BFGS:   10 17:40:04      -20.066217         0.150239
BFGS:   11 17:40:04      -20.068860         0.082357
BFGS:   12 17:40:04      -20.069903         0.037814
BFGS:   13 17:40:05      -20.070034         0.022193
BFGS:   14 17:40:05      -20.070051         0.016555
BFGS:   15 17:40:05      -20.070067         0.012265
BFGS:   16 17:40:05      -20.070097         0.012706
BFGS:   17 17:40:05      -20.070126         0.008695
BFGS:   18 17:40:05      -20.070140         0.002780
BFGS:   19 17:40:05      -20.070143         0.000746
BFGS:   20 17:40:05      -20.070143         0.000065
BFGS:   21 17:40:05      -20.070143         0.000004
BFGS:   22 17:40:05      -20.070143         0.000000
BFGS:   23 17:40:05      -20.070143         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.616814363537363e-10 eV/Angstrom
Maximum stress component: 3.523847445948415e-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([[4.153235594437761, -2.9455423222771502e-18, 8.763689357429217e-37], [-2.0766177972188804, 3.5968075326848656, 3.012077734129881e-37], [1.0350345336472767e-35, -1.584581051986457e-36, 4.968207885363136]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.21834518e-31  2.95560505e-32 -4.61681436e-10]
 [ 3.41283874e-32  5.91121010e-32  4.61681436e-10]
 [ 1.70641937e-32 -2.95560505e-32 -3.42718513e-10]
 [ 7.14938102e-46  2.95560505e-32  3.42718513e-10]]
stress =  [ 1.29545306e-10  1.29545306e-10  3.52384745e-10 -3.17705410e-45
 -1.43402298e-45  1.26447292e-26]
energy per atom =  -4.014028522522599
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0