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_1959MedCutoff_Pb__MO_958424213898_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 15:08:00       -4.017324         0.496962
BFGS:    1 15:08:00       -4.021629         0.437215
BFGS:    2 15:08:00       -4.033557         0.087172
BFGS:    3 15:08:00       -4.033801         0.055656
BFGS:    4 15:08:00       -4.033991         0.050688
BFGS:    5 15:08:00       -4.034289         0.027682
BFGS:    6 15:08:00       -4.034329         0.007400
BFGS:    7 15:08:00       -4.034333         0.000766
BFGS:    8 15:08:00       -4.034333         0.000060
BFGS:    9 15:08:00       -4.034333         0.000003
BFGS:   10 15:08:00       -4.034333         0.000000
BFGS:   11 15:08:00       -4.034333         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.342267099086935e-32 eV/Angstrom
Maximum stress component: 1.0843078071128546e-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([[3.493065418331027, -7.299588432155666e-18, -7.072455106144449e-37], [-1.7465327091655134, 3.025083389355587, 4.70837422186314e-37], [7.1206010766340586e-37, 1.8075572513340146e-36, 5.700818484580583]])
forces =  [[ 2.15276777e-32 -1.24290105e-32 -2.34226710e-32]
 [-2.15276777e-32  1.24290105e-32  2.34226710e-32]]
stress =  [-1.08430781e-11 -1.08430781e-11 -5.93854393e-12  1.19122732e-34
 -2.06326624e-34  8.73003057e-28]
energy per atom =  -2.0171664697031195
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0