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_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== 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 11:34:57      -42.978095         0.325555
BFGS:    1 11:34:57      -42.984137         0.298230
BFGS:    2 11:34:57      -43.009930         0.061620
BFGS:    3 11:34:57      -43.010499         0.042421
BFGS:    4 11:34:57      -43.010643         0.034852
BFGS:    5 11:34:57      -43.011059         0.010080
BFGS:    6 11:34:57      -43.011082         0.003392
BFGS:    7 11:34:57      -43.011084         0.001731
BFGS:    8 11:34:57      -43.011084         0.001706
BFGS:    9 11:34:57      -43.011085         0.001058
BFGS:   10 11:34:57      -43.011085         0.000377
BFGS:   11 11:34:57      -43.011085         0.000076
BFGS:   12 11:34:57      -43.011085         0.000008
BFGS:   13 11:34:57      -43.011085         0.000001
BFGS:   14 11:34:57      -43.011085         0.000000
BFGS:   15 11:34:57      -43.011085         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.43478249976041e-10 eV/Angstrom
Maximum stress component: 2.503126448169163e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.84635153 0.84635153 0.84635153]
 [0.65364847 0.15364847 0.34635153]
 [0.15364847 0.34635153 0.65364847]
 [0.34635153 0.65364847 0.15364847]
 [0.14767804 0.14767804 0.14767804]
 [0.35232196 0.85232196 0.64767804]
 [0.85232196 0.64767804 0.35232196]
 [0.64767804 0.35232196 0.85232196]]
cellpar =  Cell([4.854999932263477, 4.854999932263477, 4.854999932263477])
forces =  [[ 4.43478250e-10  4.43478250e-10  4.43478250e-10]
 [-4.43478250e-10 -4.43478250e-10  4.43478250e-10]
 [-4.43478250e-10  4.43478250e-10 -4.43478250e-10]
 [ 4.43478250e-10 -4.43478250e-10 -4.43478250e-10]
 [-1.04292928e-10 -1.04292928e-10 -1.04292928e-10]
 [ 1.04292928e-10  1.04292928e-10 -1.04292928e-10]
 [ 1.04292928e-10 -1.04292928e-10  1.04292928e-10]
 [-1.04292928e-10  1.04292928e-10  1.04292928e-10]]
stress =  [2.50312645e-11 2.50312645e-11 2.50312645e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -5.326300549658342
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0