element(s):
['Au', 'Pd']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9889']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9889, 0, 0], [0, 3.9889, 0], [0, 0, 3.9889]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:57      -49.090529         9.968898
BFGS:    1 16:05:57      -50.470572         8.341421
BFGS:    2 16:05:57      -51.559811         6.062367
BFGS:    3 16:05:57      -52.257039         3.094349
BFGS:    4 16:05:57      -52.428241         1.001905
BFGS:    5 16:05:57      -52.444419         0.107538
BFGS:    6 16:05:57      -52.444617         0.003233
BFGS:    7 16:05:57      -52.444617         0.000011
BFGS:    8 16:05:57      -52.444617         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.640003261404647e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.02706425e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.01353213e-34]]
cellpar =  Cell([[3.800431960011397, -6.219530011443063e-34, 8.542721648557935e-35], [-8.944409312705916e-33, 3.800431960011397, 3.552111016157973e-18], [3.031694934749894e-33, 3.552111016157972e-18, 3.800431960011397]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.64000326e-11  7.64000326e-11  7.64000326e-11  1.52516662e-27
 -4.55148656e-33  1.61053580e-49]
energy per atom =  -13.11115420150173
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0