element(s):
['Pb']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5121', '1.6714786']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pb']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.5121, 0, 0], [-1.75605, 3.0415678206313, 0], [0, 0, 5.8704]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:08:01       -3.827107         0.378191
BFGS:    1 15:08:01       -3.829240         0.332770
BFGS:    2 15:08:01       -3.835483         0.070124
BFGS:    3 15:08:01       -3.835626         0.051039
BFGS:    4 15:08:01       -3.835787         0.033699
BFGS:    5 15:08:01       -3.835937         0.023050
BFGS:    6 15:08:01       -3.835968         0.006782
BFGS:    7 15:08:01       -3.835971         0.000749
BFGS:    8 15:08:01       -3.835971         0.000066
BFGS:    9 15:08:01       -3.835971         0.000003
BFGS:   10 15:08:01       -3.835971         0.000000
BFGS:   11 15:08:01       -3.835971         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.3581906898189108e-32 eV/Angstrom
Maximum stress component: 1.757014689885012e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pb', 'Pb']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.5085238628982647, 3.390463694193379e-18, -9.120758281543261e-38], [-1.7542619314491323, 3.038470795053808, 7.77564347584778e-38], [2.417020322437984e-36, 6.981515057826937e-36, 5.739574739331005]])
forces =  [[ 9.93069187e-69  2.86846057e-68  2.35819069e-32]
 [-9.93069187e-69 -2.86846057e-68 -2.35819069e-32]]
stress =  [-1.75701469e-11 -1.75701469e-11 -1.40525762e-11  2.35594107e-34
  1.02015241e-34 -9.30305514e-27]
energy per atom =  -1.9179853237845088
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0