element(s):
['Al', 'Pd']
AFLOW prototype label:
AB_cP8_198_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8859', '0.84377254', '0.14788294']
model name:
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.84377254 0.84377254 0.84377254]
 [0.14788294 0.14788294 0.14788294]]
spacegroup =  198
cell =  [[4.8859, 0, 0], [0, 4.8859, 0], [0, 0, 4.8859]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:34:45      -42.978108         0.327374
BFGS:    1 11:34:45      -42.984184         0.297704
BFGS:    2 11:34:45      -43.010234         0.055458
BFGS:    3 11:34:45      -43.010495         0.042969
BFGS:    4 11:34:45      -43.010714         0.029713
BFGS:    5 11:34:45      -43.011020         0.017148
BFGS:    6 11:34:45      -43.011089         0.006553
BFGS:    7 11:34:45      -43.011098         0.001721
BFGS:    8 11:34:45      -43.011099         0.001738
BFGS:    9 11:34:45      -43.011099         0.001619
BFGS:   10 11:34:45      -43.011100         0.000966
BFGS:   11 11:34:45      -43.011100         0.000283
BFGS:   12 11:34:45      -43.011100         0.000078
BFGS:   13 11:34:45      -43.011100         0.000006
BFGS:   14 11:34:45      -43.011100         0.000001
BFGS:   15 11:34:45      -43.011100         0.000000
BFGS:   16 11:34:45      -43.011100         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.4542713465846475e-10 eV/Angstrom
Maximum stress component: 9.018050618590638e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.84635062 0.84635062 0.84635062]
 [0.65364938 0.15364938 0.34635062]
 [0.15364938 0.34635062 0.65364938]
 [0.34635062 0.65364938 0.15364938]
 [0.14767816 0.14767816 0.14767816]
 [0.35232184 0.85232184 0.64767816]
 [0.85232184 0.64767816 0.35232184]
 [0.64767816 0.35232184 0.85232184]]
cellpar =  Cell([4.854893816910052, 4.854893816910052, 4.854893816910052])
forces =  [[ 3.45427135e-10  3.45427135e-10  3.45427135e-10]
 [-3.45427135e-10 -3.45427135e-10  3.45427135e-10]
 [-3.45427135e-10  3.45427135e-10 -3.45427135e-10]
 [ 3.45427135e-10 -3.45427135e-10 -3.45427135e-10]
 [-3.02525812e-10 -3.02525812e-10 -3.02525812e-10]
 [ 3.02525812e-10  3.02525812e-10 -3.02525812e-10]
 [ 3.02525812e-10 -3.02525812e-10  3.02525812e-10]
 [-3.02525812e-10  3.02525812e-10  3.02525812e-10]]
stress =  [9.01805062e-12 9.01805062e-12 9.01805062e-12 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -5.37638749524042
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0