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 15:07:03       -3.827107        0.3782
BFGS:    1 15:07:03       -3.829240        0.3328
BFGS:    2 15:07:03       -3.835483        0.0701
BFGS:    3 15:07:03       -3.835626        0.0510
BFGS:    4 15:07:03       -3.835787        0.0337
BFGS:    5 15:07:03       -3.835937        0.0230
BFGS:    6 15:07:03       -3.835968        0.0068
BFGS:    7 15:07:03       -3.835971        0.0007
BFGS:    8 15:07:03       -3.835971        0.0001
BFGS:    9 15:07:03       -3.835971        0.0000
BFGS:   10 15:07:03       -3.835971        0.0000
BFGS:   11 15:07:03       -3.835971        0.0000
Minimization converged after 11 steps.
Maximum force component: 2.3581906898189108e-32 eV/Angstrom
Maximum stress component: 1.7570017617499088e-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([[3.508523862898265, 3.56319815773105e-18, 1.2625230773506488e-39], [-1.7542619314491326, 3.0384707950538083, 2.638023819413208e-38], [2.824555711936328e-37, -1.7397221667032244e-37, 5.739574739331005]])
forces =  [[ 7.20764925e-33 -3.12100367e-33 -2.35819069e-32]
 [-9.00956156e-33  6.24200735e-33  2.35819069e-32]]
stress =  [-1.75700176e-11 -1.75700176e-11 -1.40525435e-11 -2.35594107e-34
  6.10230255e-48  5.72805322e-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