element(s):
['C', 'Pd']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4255']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.4255, 0, 0], [0, 4.4255, 0], [0, 0, 4.4255]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:20:52     -112.801783       14.0587
BFGS:    1 14:20:52     -114.881953       13.5977
BFGS:    2 14:20:52     -116.873576       12.9346
BFGS:    3 14:20:52     -118.755097       12.1267
BFGS:    4 14:20:52     -120.503427       11.1554
BFGS:    5 14:20:52     -122.092490        9.9994
BFGS:    6 14:20:52     -123.492852        8.6352
BFGS:    7 14:20:52     -124.678494        7.1105
BFGS:    8 14:20:52     -125.610919        5.2677
BFGS:    9 14:20:52     -126.243248        3.1107
BFGS:   10 14:20:52     -126.527378        0.6185
BFGS:   11 14:20:52     -126.537908        0.0567
BFGS:   12 14:20:52     -126.537995        0.0009
BFGS:   13 14:20:52     -126.537995        0.0000
BFGS:   14 14:20:52     -126.537995        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1747438334107043e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.60673231e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.71925965e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 4.12920769e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.142609287394993, 1.685519898476318e-32, 8.371243731294284e-34], [1.8095863396397973e-32, 4.142609287394993, 1.4279867757663567e-17], [-2.7435287007446173e-33, 1.4279867757663558e-17, 4.142609287394993]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.17474383e-12 -3.17474383e-12 -3.17474383e-12 -4.33290123e-29
 -4.48903021e-35 -6.02508931e-53]
energy per atom =  -15.817249355476722
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0