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:
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_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 18:09:46      -25.432563        0.5517
BFGS:    1 18:09:46      -25.441582        0.5088
BFGS:    2 18:09:46      -25.477311        0.1945
BFGS:    3 18:09:46      -25.481401        0.1356
BFGS:    4 18:09:46      -25.482080        0.1218
BFGS:    5 18:09:46      -25.485605        0.0522
BFGS:    6 18:09:46      -25.485751        0.0505
BFGS:    7 18:09:46      -25.486012        0.0273
BFGS:    8 18:09:46      -25.486098        0.0245
BFGS:    9 18:09:46      -25.486155        0.0248
BFGS:   10 18:09:46      -25.486198        0.0190
BFGS:   11 18:09:46      -25.486240        0.0116
BFGS:   12 18:09:46      -25.486256        0.0045
BFGS:   13 18:09:46      -25.486258        0.0005
BFGS:   14 18:09:46      -25.486258        0.0001
BFGS:   15 18:09:46      -25.486258        0.0000
BFGS:   16 18:09:46      -25.486258        0.0000
BFGS:   17 18:09:46      -25.486258        0.0000
BFGS:   18 18:09:46      -25.486258        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.8948915378957064e-09 eV/Angstrom
Maximum stress component: 1.8462299485009397e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.34510633]
 [0.66666667 0.33333333 0.65489367]
 [0.33333333 0.66666667 0.83407646]
 [0.66666667 0.33333333 0.16592354]]
cellpar =  Cell([[4.207860004607099, -7.834318065023885e-18, 2.2123103994344766e-38], [-2.1039300023035494, 3.644113659558252, -2.3833870583903625e-38], [4.55131646678379e-37, 1.5191403151655049e-37, 5.069868083139985]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.42040768e-31 -3.15830331e-47 -1.06906840e-09]
 [-3.45772526e-32  3.20980487e-47  1.06906840e-09]
 [ 2.07463516e-31 -1.19779117e-31  1.89489154e-09]
 [-1.72886263e-31  1.19779117e-31 -1.89489154e-09]]
stress =  [-1.37078180e-10 -1.37078180e-10  1.84622995e-10 -5.23845313e-47
 -8.45844560e-48  7.08810124e-28]
energy per atom =  -5.097251569339579
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0