element(s):
['Au', 'Pd']
AFLOW prototype label:
A3B_cP4_221_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:
['4.0955']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0955, 0, 0], [0, 4.0955, 0], [0, 0, 4.0955]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:39:35      -56.920537        16.517492
BFGS:    1 12:39:36      -59.357977        15.924396
BFGS:    2 12:39:36      -61.674308        14.875286
BFGS:    3 12:39:36      -63.793556        13.290062
BFGS:    4 12:39:36      -65.619934        10.921834
BFGS:    5 12:39:36      -67.023452         7.668948
BFGS:    6 12:39:37      -67.854778         3.230434
BFGS:    7 12:39:37      -67.984148         1.008796
BFGS:    8 12:39:37      -67.996071         0.081943
BFGS:    9 12:39:37      -67.996152         0.001860
BFGS:   10 12:39:38      -67.996152         0.000004
BFGS:   11 12:39:38      -67.996152         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0557926892843421e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Pd']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.22955807e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.09852691e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.759262752653007, 3.0533374825171616e-32, -1.435106261613137e-32], [1.8834802135013634e-32, 3.759262752653007, 9.996668056714015e-18], [-1.1698109034962199e-33, 9.996668056714003e-18, 3.759262752653007]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.05579269e-11 1.05579269e-11 1.05579269e-11 1.05597842e-27
 2.90732673e-34 2.26434509e-50]
energy per atom =  -16.999038113675155
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0