element(s):
['Pb']
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:
['3.975']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.975, 0, 0], [0, 3.975, 0], [0, 0, 3.975]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:07:53       -6.503926        5.5587
BFGS:    1 18:07:53       -7.386612        6.2111
BFGS:    2 18:07:53       -8.366087        6.8389
BFGS:    3 18:07:53       -9.432974        7.3685
BFGS:    4 18:07:53      -10.562451        7.6309
BFGS:    5 18:07:53      -11.699579        7.4268
BFGS:    6 18:07:53      -12.743754        6.2640
BFGS:    7 18:07:53      -13.494798        3.4013
BFGS:    8 18:07:53      -13.614588        2.4425
BFGS:    9 18:07:53      -13.672273        0.4723
BFGS:   10 18:07:53      -13.674951        0.0516
BFGS:   11 18:07:53      -13.674982        0.0013
BFGS:   12 18:07:53      -13.674982        0.0000
BFGS:   13 18:07:53      -13.674982        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0839879126694612e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pb', 'Pb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2139991302710857, -4.648406580365808e-33, 2.3801375088326696e-33], [-1.9615241357883673e-32, 3.213999130271086, -3.5180622946993824e-17], [-1.7129776664214306e-33, -3.518062294699383e-17, 3.2139991302710857]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.08398791e-11  1.08398791e-11  1.08398791e-11  3.91857515e-29
  3.23170020e-34 -1.47410147e-51]
energy per atom =  -6.8374909540881
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0