element(s):
['H', '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:
['4.0996']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.0996, 0, 0], [0, 4.0996, 0], [0, 0, 4.0996]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:06      -75.439034       12.4921
BFGS:    1 14:31:06      -77.315674       12.5230
BFGS:    2 14:31:06      -79.193754       12.5102
BFGS:    3 14:31:06      -81.075311       12.5394
BFGS:    4 14:31:06      -82.948194       12.4220
BFGS:    5 14:31:06      -84.798584       12.2380
BFGS:    6 14:31:07      -86.615774       11.9776
BFGS:    7 14:31:07      -88.387510       11.6300
BFGS:    8 14:31:07      -90.099797       11.1828
BFGS:    9 14:31:07      -91.741741       10.6745
BFGS:   10 14:31:07      -93.293083        9.9872
BFGS:   11 14:31:07      -94.730563        9.1532
BFGS:   12 14:31:07      -96.030726        8.1528
BFGS:   13 14:31:07      -97.166948        6.9634
BFGS:   14 14:31:07      -98.109039        5.5599
BFGS:   15 14:31:07      -98.822780        3.9137
BFGS:   16 14:31:07      -99.269415        1.9928
BFGS:   17 14:31:07      -99.405064        0.2392
BFGS:   18 14:31:07      -99.406852        0.0161
BFGS:   19 14:31:07      -99.406860        0.0001
BFGS:   20 14:31:07      -99.406860        0.0000
BFGS:   21 14:31:08      -99.406860        0.0000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.454873232479143e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.73223028e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.15158829e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.25264716e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.86611514e-48 5.59834542e-49]
 [1.11966908e-48 5.00000000e-01 2.10105886e-34]
 [0.00000000e+00 3.15158829e-34 5.00000000e-01]]
cellpar =  Cell([[3.666589220942103, 1.9211956137295044e-32, 6.308682953948571e-33], [1.5918508659406837e-32, 3.666589220942103, 4.928331827356358e-18], [-6.560647802547959e-33, 4.928331827356367e-18, 3.666589220942103]])
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 =  [ 2.45487323e-14  2.45487323e-14  2.45487323e-14  1.19619774e-31
 -3.05615017e-34 -1.80175915e-51]
energy per atom =  -12.425857560858198
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0