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_ZhouBarteltSills_2021_PdHHe__MO_865505436319_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 17:56:38       18.930522        0.5447
BFGS:    1 17:56:38       18.917682        0.5555
BFGS:    2 17:56:38       18.828980        0.6285
BFGS:    3 17:56:38       18.728754        0.7091
BFGS:    4 17:56:38       18.615916        0.7965
BFGS:    5 17:56:38       18.488767        0.9595
BFGS:    6 17:56:38       18.301870        1.4529
BFGS:    7 17:56:38       18.096127        1.2256
BFGS:    8 17:56:38       17.902852        1.3520
BFGS:    9 17:56:38       17.690756        1.4743
BFGS:   10 17:56:38       17.461378        1.5800
BFGS:   11 17:56:38       17.145658        2.6945
BFGS:   12 17:56:38       16.763192        2.2622
BFGS:   13 17:56:38       16.414238        2.1815
BFGS:   14 17:56:38       16.104048        2.0018
BFGS:   15 17:56:38       15.823007        1.7038
BFGS:   16 17:56:38       15.594956        1.3779
BFGS:   17 17:56:38       15.470715        0.0881
BFGS:   18 17:56:38       15.470302        0.0077
BFGS:   19 17:56:38       15.470299        0.0001
BFGS:   20 17:56:38       15.470299        0.0000
BFGS:   21 17:56:38       15.470299        0.0000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0195865709308915e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.5005068137202002, -6.454106426464369e-33, 6.76167355803479e-33], [-6.178701624232914e-35, 2.5005068137202002, 1.395408355867348e-16], [8.628230324560881e-33, 1.3954083558673477e-16, 2.5005068137201985]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.01958657e-12 -1.01958657e-12 -1.01958657e-12  4.71367187e-28
 -6.16047780e-35 -1.83545289e-51]
energy per atom =  -2.040475366551309
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0