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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_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 15:22:47     -103.400455       11.3587
BFGS:    1 15:22:47     -105.259250       10.8260
BFGS:    2 15:22:47     -106.927927       10.0986
BFGS:    3 15:22:47     -108.441956        9.1953
BFGS:    4 15:22:47     -109.789195        8.1048
BFGS:    5 15:22:47     -110.945549        6.8138
BFGS:    6 15:22:47     -111.882416        5.3053
BFGS:    7 15:22:47     -112.569288        3.5879
BFGS:    8 15:22:47     -112.965613        1.5491
BFGS:    9 15:22:47     -113.045095        0.2108
BFGS:   10 15:22:47     -113.046537        0.0395
BFGS:   11 15:22:47     -113.046550        0.0262
BFGS:   12 15:22:47     -113.046562        0.0007
BFGS:   13 15:22:47     -113.046562        0.0001
BFGS:   14 15:22:47     -113.046562        0.0001
BFGS:   15 15:22:47     -113.046562        0.0000
BFGS:   16 15:22:47     -113.046562        0.0000
BFGS:   17 15:22:47     -113.046562        0.0000
BFGS:   18 15:22:47     -113.046562        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.5394553825342477e-10 eV/Angstrom
Maximum stress component: 2.069302416093645e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.84740056 0.84740056 0.84740056]
 [0.65259944 0.15259944 0.34740056]
 [0.15259944 0.34740056 0.65259944]
 [0.34740056 0.65259944 0.15259944]
 [0.15350902 0.15350902 0.15350902]
 [0.34649098 0.84649098 0.65350902]
 [0.84649098 0.65350902 0.34649098]
 [0.65350902 0.34649098 0.84649098]]
cellpar =  Cell([4.621054570055099, 4.621054570055099, 4.621054570055099])
forces =  [[ 3.53945538e-10  3.53945538e-10  3.53945538e-10]
 [-3.53945538e-10 -3.53945538e-10  3.53945538e-10]
 [-3.53945538e-10  3.53945538e-10 -3.53945538e-10]
 [ 3.53945538e-10 -3.53945538e-10 -3.53945538e-10]
 [ 1.50714313e-10  1.50714313e-10  1.50714313e-10]
 [-1.50714313e-10 -1.50714313e-10  1.50714313e-10]
 [-1.50714313e-10  1.50714313e-10 -1.50714313e-10]
 [ 1.50714313e-10 -1.50714313e-10 -1.50714313e-10]]
stress =  [2.06930242e-12 2.06930242e-12 2.06930242e-12 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -14.130820218539073
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0