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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:06:10       -6.543502        5.6473
BFGS:    1 15:06:10       -7.435817        6.3333
BFGS:    2 15:06:10       -8.432982        7.0042
BFGS:    3 15:06:10       -9.525280        7.6853
BFGS:    4 15:06:10      -10.680727        8.1877
BFGS:    5 15:06:10      -11.835990        8.2978
BFGS:    6 15:06:10      -12.900588        7.7194
BFGS:    7 15:06:10      -13.753320        6.0050
BFGS:    8 15:06:10      -14.245769        2.3785
BFGS:    9 15:06:10      -14.287921        1.5759
BFGS:   10 15:06:10      -14.305467        0.1786
BFGS:   11 15:06:10      -14.305719        0.0119
BFGS:   12 15:06:10      -14.305720        0.0001
BFGS:   13 15:06:10      -14.305720        0.0000
BFGS:   14 15:06:10      -14.305720        0.0000
BFGS:   15 15:06:10      -14.305720        0.0000
Minimization converged after 15 steps.
Maximum force component: 2.800337680224041e-31 eV/Angstrom
Maximum stress component: 1.4966717655528245e-10 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([[2.8398797929421864, 5.494618412456705e-17, 8.8345139141893e-37], [-1.4199398964710932, 2.459408044382024, -3.385353889277938e-35], [-2.8730510900531246e-36, 4.7382541051022845e-35, 4.6375967917843015]])
forces =  [[-2.80033768e-31  2.42516357e-31 -3.38177418e-66]
 [ 1.86689179e-31 -8.08387857e-32  1.15629641e-66]]
stress =  [ 6.24762472e-12  6.24762472e-12  1.49667177e-10  1.09008958e-45
 -3.47305825e-46  5.66327959e-28]
energy per atom =  -7.152859852815628
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0