element(s):
['Ar']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7835']
model name:
Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.7835, 0, 0], [0, 5.7835, 0], [0, 0, 5.7835]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:42       -0.000186         0.000055
BFGS:    1 15:12:42       -0.000186         0.000055
BFGS:    2 15:12:42       -0.000195         0.000054
BFGS:    3 15:12:42       -0.000203         0.000051
BFGS:    4 15:12:42       -0.000210         0.000046
BFGS:    5 15:12:42       -0.000216         0.000039
BFGS:    6 15:12:42       -0.000221         0.000030
BFGS:    7 15:12:42       -0.000225         0.000018
BFGS:    8 15:12:42       -0.000227         0.000004
BFGS:    9 15:12:42       -0.000227         0.000001
BFGS:   10 15:12:42       -0.000227         0.000000
BFGS:   11 15:12:42       -0.000227         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2254696068588928e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.04019583e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.2622996401984246, 1.0525189949487324e-32, -2.3698701497033095e-32], [-2.769548233311619e-32, 5.2622996401984246, -1.991135563288454e-17], [-2.161219516346424e-32, -1.991135563288454e-17, 5.2622996401984246]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.22546961e-12  1.22546961e-12  1.22546961e-12  3.91775750e-28
 -5.65989189e-40  4.07427477e-56]
energy per atom =  -5.6689424826855144e-05
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0