element(s):
['Ba']
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:
['5.0183']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ba']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[5.0183, 0, 0], [0, 5.0183, 0], [0, 0, 5.0183]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:45:45      -27.556546       12.7932
BFGS:    1 17:45:45      -29.245094        9.3032
BFGS:    2 17:45:45      -30.192012        2.6402
BFGS:    3 17:45:45      -30.235970        1.3070
BFGS:    4 17:45:45      -30.247700        0.0980
BFGS:    5 17:45:45      -30.247769        0.0033
BFGS:    6 17:45:45      -30.247769        0.0000
BFGS:    7 17:45:45      -30.247769        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3576173238762699e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.7329461248860305, 9.252034495729833e-33, 3.801555862738911e-33], [9.701064905878906e-33, 4.7329461248860305, 2.793422495950427e-17], [-5.70119477819347e-33, 2.793422495950429e-17, 4.7329461248860305]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.35761732e-11 1.35761732e-11 1.35761732e-11 3.09674776e-28
 5.50246562e-34 3.92336449e-51]
energy per atom =  -15.123884733483594
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0