element(s):
['Sr']
AFLOW prototype label:
A_tI8_140_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.1402', '0.8704823', '0.66977491']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Sr__MO_497591319122_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0.66977491 0.16977491 0.        ]]
spacegroup =  140
cell =  [[8.1402, 0, 0], [0, 8.1402, 0], [0, 0, 7.0859]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:22:48      -12.337793        0.3449
BFGS:    1 17:22:48      -12.346056        0.3417
BFGS:    2 17:22:48      -12.410201        0.3118
BFGS:    3 17:22:48      -12.445912        0.2852
BFGS:    4 17:22:48      -12.460905        0.2595
BFGS:    5 17:22:48      -12.463964        0.2437
BFGS:    6 17:22:48      -12.467165        0.2221
BFGS:    7 17:22:48      -12.473904        0.1733
BFGS:    8 17:22:48      -12.481518        0.1176
BFGS:    9 17:22:48      -12.489918        0.0949
BFGS:   10 17:22:48      -12.497778        0.0545
BFGS:   11 17:22:48      -12.499667        0.0368
BFGS:   12 17:22:48      -12.499924        0.0293
BFGS:   13 17:22:48      -12.499995        0.0287
BFGS:   14 17:22:48      -12.500081        0.0281
BFGS:   15 17:22:48      -12.500283        0.0244
BFGS:   16 17:22:48      -12.500575        0.0160
BFGS:   17 17:22:48      -12.500829        0.0103
BFGS:   18 17:22:48      -12.500914        0.0046
BFGS:   19 17:22:48      -12.500923        0.0007
BFGS:   20 17:22:48      -12.500923        0.0000
BFGS:   21 17:22:48      -12.500923        0.0000
BFGS:   22 17:22:48      -12.500923        0.0000
BFGS:   23 17:22:48      -12.500923        0.0000
Minimization converged after 23 steps.
Maximum force component: 1.0822627479122325e-09 eV/Angstrom
Maximum stress component: 3.636372039162964e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr']
basis =  [[6.79823179e-01 1.79823179e-01 1.03778379e-34]
 [3.20176821e-01 8.20176821e-01 8.30227034e-34]
 [8.20176821e-01 6.79823179e-01 4.15113517e-34]
 [1.79823179e-01 3.20176821e-01 4.15113517e-34]
 [3.20176821e-01 1.79823179e-01 5.00000000e-01]
 [6.79823179e-01 8.20176821e-01 5.00000000e-01]
 [1.79823179e-01 6.79823179e-01 5.00000000e-01]
 [8.20176821e-01 3.20176821e-01 5.00000000e-01]]
cellpar =  Cell([[8.039998304731347, 8.747344258219329e-37, 2.988845333290017e-33], [2.25572933639384e-36, 8.039998304731348, 1.7250202427201645e-17], [-9.839045344828643e-35, 1.5734658590529695e-17, 7.423241562742377]])
forces =  [[-1.08226275e-09 -1.08226275e-09 -2.32204669e-27]
 [ 1.08226275e-09  1.08226275e-09  2.32204669e-27]
 [ 1.08226275e-09 -1.08226275e-09 -2.32204669e-27]
 [-1.08226275e-09  1.08226275e-09  2.32204669e-27]
 [ 1.08226275e-09 -1.08226275e-09 -2.32204669e-27]
 [-1.08226275e-09  1.08226275e-09  2.32204669e-27]
 [-1.08226275e-09 -1.08226275e-09 -2.32204669e-27]
 [ 1.08226275e-09  1.08226275e-09  2.32204669e-27]]
stress =  [ 3.63637204e-11  3.63637204e-11 -9.33476836e-12 -4.11095368e-27
 -6.45388066e-35 -9.95301428e-51]
energy per atom =  -1.562615414182944
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0