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 12:37:21     -103.400455        11.358671
BFGS:    1 12:37:21     -105.259250        10.825968
BFGS:    2 12:37:22     -106.927927        10.098612
BFGS:    3 12:37:22     -108.441956         9.195298
BFGS:    4 12:37:22     -109.789195         8.104794
BFGS:    5 12:37:22     -110.945549         6.813813
BFGS:    6 12:37:22     -111.882416         5.305325
BFGS:    7 12:37:22     -112.569288         3.587922
BFGS:    8 12:37:22     -112.965613         1.549121
BFGS:    9 12:37:22     -113.045095         0.210799
BFGS:   10 12:37:22     -113.046537         0.039540
BFGS:   11 12:37:22     -113.046550         0.026187
BFGS:   12 12:37:22     -113.046562         0.000703
BFGS:   13 12:37:22     -113.046562         0.000145
BFGS:   14 12:37:22     -113.046562         0.000089
BFGS:   15 12:37:22     -113.046562         0.000006
BFGS:   16 12:37:22     -113.046562         0.000001
BFGS:   17 12:37:22     -113.046562         0.000000
BFGS:   18 12:37:22     -113.046562         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.539174722561998e-10 eV/Angstrom
Maximum stress component: 2.0580218038055813e-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([4.621054570055097, 4.621054570055097, 4.621054570055097])
forces =  [[ 3.53917472e-10  3.53917472e-10  3.53917472e-10]
 [-3.53917472e-10 -3.53917472e-10  3.53917472e-10]
 [-3.53917472e-10  3.53917472e-10 -3.53917472e-10]
 [ 3.53917472e-10 -3.53917472e-10 -3.53917472e-10]
 [ 1.50713523e-10  1.50713523e-10  1.50713523e-10]
 [-1.50713523e-10 -1.50713523e-10  1.50713523e-10]
 [-1.50713523e-10  1.50713523e-10 -1.50713523e-10]
 [ 1.50713523e-10 -1.50713523e-10 -1.50713523e-10]]
stress =  [2.0580218e-12 2.0580218e-12 2.0580218e-12 0.0000000e+00 0.0000000e+00
 0.0000000e+00]
energy per atom =  -14.130820218539062
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0