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 17:35:44      -12.337793         0.344893
BFGS:    1 17:35:44      -12.346056         0.341661
BFGS:    2 17:35:44      -12.410201         0.311757
BFGS:    3 17:35:44      -12.445912         0.285225
BFGS:    4 17:35:44      -12.460905         0.259464
BFGS:    5 17:35:45      -12.463964         0.243718
BFGS:    6 17:35:45      -12.467165         0.222114
BFGS:    7 17:35:45      -12.473904         0.173318
BFGS:    8 17:35:45      -12.481518         0.117561
BFGS:    9 17:35:45      -12.489918         0.094903
BFGS:   10 17:35:45      -12.497778         0.054457
BFGS:   11 17:35:45      -12.499667         0.036848
BFGS:   12 17:35:45      -12.499924         0.029303
BFGS:   13 17:35:45      -12.499995         0.028711
BFGS:   14 17:35:45      -12.500081         0.028056
BFGS:   15 17:35:45      -12.500283         0.024442
BFGS:   16 17:35:45      -12.500575         0.016050
BFGS:   17 17:35:45      -12.500829         0.010285
BFGS:   18 17:35:45      -12.500914         0.004601
BFGS:   19 17:35:45      -12.500923         0.000698
BFGS:   20 17:35:45      -12.500923         0.000043
BFGS:   21 17:35:46      -12.500923         0.000001
BFGS:   22 17:35:46      -12.500923         0.000000
BFGS:   23 17:35:46      -12.500923         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.0822629031458436e-09 eV/Angstrom
Maximum stress component: 3.636375537429259e-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 0.00000000e+00]
 [8.20176821e-01 6.79823179e-01 0.00000000e+00]
 [1.79823179e-01 3.20176821e-01 0.00000000e+00]
 [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([[8.039998304731348, 2.3373920131491725e-36, -1.4051025824088446e-32], [6.658740558440517e-36, 8.03999830473135, -3.3754629333057675e-17], [1.221621867047656e-32, -3.039660458349544e-17, 7.423241562742376]])
forces =  [[-1.08226290e-09 -1.08226290e-09  4.54370533e-27]
 [ 1.08226290e-09  1.08226290e-09 -4.54369961e-27]
 [ 1.08226290e-09 -1.08226290e-09  4.54369961e-27]
 [-1.08226290e-09  1.08226290e-09 -4.54370533e-27]
 [ 1.08226290e-09 -1.08226290e-09  4.54369961e-27]
 [-1.08226290e-09  1.08226290e-09 -4.54370533e-27]
 [-1.08226290e-09 -1.08226290e-09  4.54370533e-27]
 [ 1.08226290e-09  1.08226290e-09 -4.54369961e-27]]
stress =  [ 3.63637554e-11  3.63637554e-11 -9.33479087e-12  2.58112728e-27
 -9.68082107e-36  5.77136327e-52]
energy per atom =  -1.5626154141829443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0