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 16:22:12       -6.503926         5.558706
BFGS:    1 16:22:12       -7.386612         6.211080
BFGS:    2 16:22:12       -8.366087         6.838947
BFGS:    3 16:22:12       -9.432974         7.368515
BFGS:    4 16:22:12      -10.562451         7.630887
BFGS:    5 16:22:12      -11.699579         7.426769
BFGS:    6 16:22:12      -12.743754         6.264016
BFGS:    7 16:22:12      -13.494798         3.401328
BFGS:    8 16:22:12      -13.614588         2.442504
BFGS:    9 16:22:12      -13.672273         0.472346
BFGS:   10 16:22:12      -13.674951         0.051592
BFGS:   11 16:22:12      -13.674982         0.001289
BFGS:   12 16:22:12      -13.674982         0.000003
BFGS:   13 16:22:12      -13.674982         0.000000
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