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 16:06:02     -123.349640         7.604411
BFGS:    1 16:06:03     -124.455686         7.134047
BFGS:    2 16:06:03     -125.487100         6.608605
BFGS:    3 16:06:03     -126.435289         6.023596
BFGS:    4 16:06:03     -127.290959         5.374180
BFGS:    5 16:06:03     -128.044063         4.655147
BFGS:    6 16:06:03     -128.683742         3.860877
BFGS:    7 16:06:04     -129.200157         3.039947
BFGS:    8 16:06:04     -129.585179         2.081936
BFGS:    9 16:06:04     -129.819472         1.025553
BFGS:   10 16:06:04     -129.888233         0.097855
BFGS:   11 16:06:04     -129.888828         0.004021
BFGS:   12 16:06:04     -129.888829         0.000015
BFGS:   13 16:06:04     -129.888829         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.0324367073969644e-29 eV/Angstrom
Maximum stress component: 1.4343178412734594e-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([[5.672317161879197, 2.476200624204558e-32, 3.016691959530188e-33], [2.2218391184457653e-32, 5.672317161879197, -1.505665413292642e-17], [-4.6110103205817766e-33, -1.5056654132926432e-17, 5.672317161879197]])
forces =  [[-1.30511186e-30 -2.93650170e-30 -5.89922216e-30]
 [ 6.00118402e-31  3.35600194e-30 -3.42591865e-30]
 [-4.36979419e-30 -9.78833899e-31  4.19500242e-30]
 [ 9.32222761e-32  2.03341090e-30  7.83067119e-30]
 [ 8.39000485e-31 -1.81783438e-30 -1.39833414e-30]
 [ 2.60002754e-30  1.69256695e-30  4.42805811e-30]
 [-4.89416949e-31 -7.69083778e-31 -3.40261308e-30]
 [-1.13614649e-31  1.86444552e-31 -1.03243671e-29]
 [ 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 =  [-1.43431784e-10 -1.43431784e-10 -1.43431784e-10  1.84900517e-27
 -3.76703980e-33  1.19317071e-50]
energy per atom =  -10.824069056209026
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0