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:
MEAM_LAMMPS_LeeShimBaskes_2003_Pb__MO_019208265157_001
==== 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 15:06:29       -4.062594        0.3730
BFGS:    1 15:06:29       -4.065913        0.3220
BFGS:    2 15:06:29       -4.073051        0.0695
BFGS:    3 15:06:29       -4.073211        0.0573
BFGS:    4 15:06:29       -4.073480        0.0666
BFGS:    5 15:06:29       -4.073866        0.0540
BFGS:    6 15:06:29       -4.074055        0.0224
BFGS:    7 15:06:29       -4.074089        0.0048
BFGS:    8 15:06:29       -4.074091        0.0007
BFGS:    9 15:06:29       -4.074091        0.0000
BFGS:   10 15:06:29       -4.074091        0.0000
BFGS:   11 15:06:29       -4.074091        0.0000
BFGS:   12 15:06:29       -4.074091        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.1768831885766176e-32 eV/Angstrom
Maximum stress component: 8.109243697240213e-12 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([[3.4967627968867916, -2.03597781500601e-19, -3.139247007886036e-36], [-1.7483813984433958, 3.0282854131122865, -1.196557532112009e-35], [1.766536227892105e-36, -1.9724860604513402e-36, 5.728806452727022]])
forces =  [[-1.79587205e-33  9.33162489e-33 -1.17688319e-32]
 [-5.38761614e-33  3.11054163e-33  1.17688319e-32]]
stress =  [-8.10924370e-12 -8.10924370e-12 -9.75959368e-14 -4.73661675e-34
  3.07920413e-48  1.72622642e-27]
energy per atom =  -2.037045608127411
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0