element(s):
['H']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2058']
model name:
EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:57:53       -0.617430         0.552108
BFGS:    1 16:57:53       -0.630626         0.563283
BFGS:    2 16:57:53       -0.720658         0.638363
BFGS:    3 16:57:53       -0.822495         0.720623
BFGS:    4 16:57:53       -0.937176         0.809470
BFGS:    5 16:57:53       -1.066328         0.975213
BFGS:    6 16:57:53       -1.255874         1.469101
BFGS:    7 16:57:53       -1.463035         1.229834
BFGS:    8 16:57:53       -1.656173         1.344785
BFGS:    9 16:57:53       -1.865825         1.447329
BFGS:   10 16:57:53       -2.088987         1.521925
BFGS:   11 16:57:53       -2.388507         2.511060
BFGS:   12 16:57:53       -2.735366         1.986254
BFGS:   13 16:57:53       -3.029865         1.746076
BFGS:   14 16:57:53       -3.260268         1.347091
BFGS:   15 16:57:53       -3.419284         0.710469
BFGS:   16 16:57:53       -3.459538         0.203575
BFGS:   17 16:57:53       -3.462130         0.037702
BFGS:   18 16:57:53       -3.462239         0.004083
BFGS:   19 16:57:53       -3.462241         0.000093
BFGS:   20 16:57:53       -3.462241         0.000000
BFGS:   21 16:57:53       -3.462241         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.067490004339338e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6313628542382115, 2.1621394885547452e-32, 1.1856031647787055e-32], [1.949934404350266e-32, 2.631362854238211, 9.464845604757485e-17], [2.792361507835451e-32, 9.464845604757487e-17, 2.631362854238213]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.06749000e-13  9.06749000e-13  9.06749000e-13  3.90235288e-29
 -2.59606632e-34 -8.01171136e-50]
energy per atom =  -1.7280290899767874
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0