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 15:08:08       -6.543502         5.647322
BFGS:    1 15:08:08       -7.435817         6.333317
BFGS:    2 15:08:08       -8.432982         7.004247
BFGS:    3 15:08:08       -9.525280         7.685259
BFGS:    4 15:08:08      -10.680727         8.187660
BFGS:    5 15:08:08      -11.835990         8.297825
BFGS:    6 15:08:08      -12.900588         7.719409
BFGS:    7 15:08:08      -13.753320         6.004997
BFGS:    8 15:08:08      -14.245769         2.378535
BFGS:    9 15:08:08      -14.287921         1.575902
BFGS:   10 15:08:08      -14.305467         0.178623
BFGS:   11 15:08:08      -14.305719         0.011882
BFGS:   12 15:08:08      -14.305720         0.000106
BFGS:   13 15:08:08      -14.305720         0.000003
BFGS:   14 15:08:08      -14.305720         0.000000
BFGS:   15 15:08:08      -14.305720         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.0501266300840145e-31 eV/Angstrom
Maximum stress component: 1.4966510630127135e-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([[2.839879792942184, 3.002486583933363e-17, 5.19749264402069e-35], [-1.419939896471092, 2.459408044382024, 5.494608099789483e-36], [1.0151447431357286e-34, 1.0876826724733677e-34, 4.6375967917843015]])
forces =  [[-1.05012663e-31  6.06290893e-32 -1.14582831e-66]
 [ 1.05012663e-31 -6.06290893e-32  1.14582831e-66]]
stress =  [ 6.24419029e-12  6.24419029e-12  1.49665106e-10  1.44090590e-33
 -2.62847717e-44  1.43156697e-27]
energy per atom =  -7.152859852815627
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0