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 15:03:12       -0.000186         0.000055
BFGS:    1 15:03:12       -0.000186         0.000055
BFGS:    2 15:03:12       -0.000195         0.000054
BFGS:    3 15:03:12       -0.000203         0.000051
BFGS:    4 15:03:12       -0.000210         0.000046
BFGS:    5 15:03:12       -0.000216         0.000039
BFGS:    6 15:03:12       -0.000221         0.000030
BFGS:    7 15:03:12       -0.000225         0.000018
BFGS:    8 15:03:12       -0.000227         0.000004
BFGS:    9 15:03:12       -0.000227         0.000001
BFGS:   10 15:03:12       -0.000227         0.000000
BFGS:   11 15:03:12       -0.000227         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2254696065597836e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.2622996401984246, -2.4329952544225249e-32, 2.2956907011237684e-32], [1.7725461179265844e-32, 5.262299640198425, -4.9551983611221715e-17], [2.5916300467146206e-32, -4.9551983611221697e-17, 5.262299640198424]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.22546961e-12  1.22546961e-12  1.22546961e-12 -6.16391968e-28
 -2.69729223e-40 -3.50409838e-58]
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