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 19:15:23     -112.801783        14.058683
BFGS:    1 19:15:23     -114.881953        13.597739
BFGS:    2 19:15:23     -116.873576        12.934581
BFGS:    3 19:15:23     -118.755097        12.126742
BFGS:    4 19:15:23     -120.503427        11.155398
BFGS:    5 19:15:23     -122.092490         9.999444
BFGS:    6 19:15:23     -123.492852         8.635220
BFGS:    7 19:15:24     -124.678494         7.110460
BFGS:    8 19:15:24     -125.610919         5.267747
BFGS:    9 19:15:24     -126.243248         3.110700
BFGS:   10 19:15:24     -126.527378         0.618482
BFGS:   11 19:15:24     -126.537908         0.056681
BFGS:   12 19:15:24     -126.537995         0.000909
BFGS:   13 19:15:24     -126.537995         0.000001
BFGS:   14 19:15:24     -126.537995         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1929070889606135e-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]
 [1.15617815e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.71925965e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.54845289e-50 1.65168308e-49]
 [1.65168308e-49 5.00000000e-01 3.71925965e-34]
 [2.27106423e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.142609287394992, 2.534171149307366e-34, -6.911007080195332e-33], [-8.497280206904815e-33, 4.142609287394992, -2.1264744529733152e-17], [1.1965648360379546e-33, -2.126474452973317e-17, 4.142609287394992]])
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 =  [-3.19290709e-12 -3.19290709e-12 -3.19290709e-12  1.01665533e-28
 -7.18244833e-34 -8.84632953e-50]
energy per atom =  -15.817249355476719
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0