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 11:12:00      -75.439034        12.492055
BFGS:    1 11:12:00      -77.315674        12.523028
BFGS:    2 11:12:00      -79.193754        12.510199
BFGS:    3 11:12:00      -81.075311        12.539412
BFGS:    4 11:12:00      -82.948194        12.422008
BFGS:    5 11:12:00      -84.798584        12.237978
BFGS:    6 11:12:00      -86.615774        11.977622
BFGS:    7 11:12:00      -88.387510        11.630001
BFGS:    8 11:12:00      -90.099797        11.182791
BFGS:    9 11:12:00      -91.741741        10.674492
BFGS:   10 11:12:00      -93.293083         9.987168
BFGS:   11 11:12:00      -94.730563         9.153212
BFGS:   12 11:12:00      -96.030726         8.152752
BFGS:   13 11:12:00      -97.166948         6.963386
BFGS:   14 11:12:00      -98.109039         5.559860
BFGS:   15 11:12:00      -98.822780         3.913691
BFGS:   16 11:12:00      -99.269415         1.992756
BFGS:   17 11:12:00      -99.405064         0.239191
BFGS:   18 11:12:00      -99.406852         0.016072
BFGS:   19 11:12:00      -99.406860         0.000118
BFGS:   20 11:12:00      -99.406860         0.000000
BFGS:   21 11:12:01      -99.406860         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2074382430630424e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.30317659e-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 0.00000000e+00 0.00000000e+00]
 [1.49289211e-48 5.00000000e-01 2.10105886e-34]
 [7.59887876e-66 6.30317659e-34 5.00000000e-01]]
cellpar =  Cell([[3.666589220942103, -6.192022542470454e-34, 4.782793782226029e-32], [-4.4203056306728726e-32, 3.6665892209421034, -3.759626977139832e-18], [5.046699071542485e-32, -3.7596269771398675e-18, 3.6665892209421034]])
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 =  [3.20743824e-14 3.20743824e-14 3.20743824e-14 3.83389380e-30
 1.52807508e-33 1.57558706e-49]
energy per atom =  -12.425857560858201
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0