element(s):
['Al', 'Pd']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9161']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.9161, 0, 0], [0, 5.9161, 0], [0, 0, 5.9161]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:04     -123.349640         7.604411
BFGS:    1 16:09:05     -124.455686         7.134047
BFGS:    2 16:09:06     -125.487100         6.608605
BFGS:    3 16:09:06     -126.435289         6.023596
BFGS:    4 16:09:07     -127.290959         5.374180
BFGS:    5 16:09:08     -128.044063         4.655147
BFGS:    6 16:09:08     -128.683742         3.860877
BFGS:    7 16:09:09     -129.200157         3.039947
BFGS:    8 16:09:10     -129.585179         2.081936
BFGS:    9 16:09:10     -129.819472         1.025553
BFGS:   10 16:09:11     -129.888233         0.097855
BFGS:   11 16:09:12     -129.888828         0.004021
BFGS:   12 16:09:12     -129.888829         0.000015
BFGS:   13 16:09:13     -129.888829         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.225681841002486e-30 eV/Angstrom
Maximum stress component: 1.434293638436946e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 7.50645205e-17 7.50645205e-17]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50645205e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50645205e-17]]
cellpar =  Cell([[5.672317161879198, 2.0182465632069025e-32, 1.0950500428751711e-33], [2.1602895977033125e-32, 5.672317161879198, -1.545803230820627e-17], [-1.6112209609746323e-33, -1.5458032308206272e-17, 5.672317161879198]])
forces =  [[-6.52555932e-31  1.14197288e-30  1.11866731e-30]
 [-3.02972397e-31 -6.29250363e-31  9.32951060e-31]
 [-7.83649758e-31  6.87514286e-31 -1.40998693e-30]
 [-4.19500242e-31 -7.45778209e-31 -2.22568184e-30]
 [ 3.26277966e-31  6.87514286e-31 -1.59643148e-30]
 [ 2.85493220e-31 -4.19500242e-31 -9.32222761e-31]
 [-2.09750121e-31  6.99167070e-32  1.45284277e-30]
 [ 6.29250363e-31  1.03709782e-30  1.47990363e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.43429364e-10 -1.43429364e-10 -1.43429364e-10 -6.56000426e-28
 -1.91544397e-33 -7.60794844e-52]
energy per atom =  -10.824069056209
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0