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_1959MedCutoff_Sr__MO_964297938209_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      -12.181935         0.362359
BFGS:    1 17:35:44      -12.190435         0.358584
BFGS:    2 17:35:44      -12.254054         0.327190
BFGS:    3 17:35:44      -12.290767         0.296951
BFGS:    4 17:35:44      -12.307559         0.269361
BFGS:    5 17:35:44      -12.311691         0.248600
BFGS:    6 17:35:44      -12.314224         0.230729
BFGS:    7 17:35:44      -12.320814         0.181084
BFGS:    8 17:35:44      -12.328161         0.124805
BFGS:    9 17:35:44      -12.336312         0.100146
BFGS:   10 17:35:44      -12.344291         0.065078
BFGS:   11 17:35:45      -12.346802         0.037392
BFGS:   12 17:35:45      -12.347093         0.031904
BFGS:   13 17:35:45      -12.347195         0.030792
BFGS:   14 17:35:45      -12.347268         0.029691
BFGS:   15 17:35:45      -12.347547         0.023953
BFGS:   16 17:35:45      -12.347876         0.014077
BFGS:   17 17:35:45      -12.348094         0.011163
BFGS:   18 17:35:45      -12.348194         0.010306
BFGS:   19 17:35:45      -12.348184         0.009897
BFGS:   20 17:35:45      -12.348245         0.000499
BFGS:   21 17:35:45      -12.348245         0.000120
BFGS:   22 17:35:45      -12.348245         0.000019
BFGS:   23 17:35:45      -12.348245         0.000001
BFGS:   24 17:35:45      -12.348245         0.000000
BFGS:   25 17:35:45      -12.348245         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.1391631730223124e-10 eV/Angstrom
Maximum stress component: 3.553600250119436e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr']
basis =  [[6.79791024e-01 1.79791024e-01 1.26246961e-34]
 [3.20208976e-01 8.20208976e-01 6.47420314e-34]
 [8.20208976e-01 6.79791024e-01 5.56781470e-34]
 [1.79791024e-01 3.20208976e-01 2.84864938e-34]
 [3.20208976e-01 1.79791024e-01 5.00000000e-01]
 [6.79791024e-01 8.20208976e-01 5.00000000e-01]
 [1.79791024e-01 6.79791024e-01 5.00000000e-01]
 [8.20208976e-01 3.20208976e-01 5.00000000e-01]]
cellpar =  Cell([[8.056059272708296, 1.0197895253017672e-36, 3.2166070762227525e-34], [-7.637132846868134e-36, 8.056059272708296, 9.538334140909434e-19], [-3.707007907584493e-32, 1.25405182684655e-19, 7.436938199176117]])
forces =  [[-1.13916317e-10 -1.13916317e-10 -1.34962292e-29]
 [ 1.13916317e-10  1.13916317e-10  1.34888886e-29]
 [ 1.13916317e-10 -1.13916317e-10 -1.34819061e-29]
 [-1.13916317e-10  1.13916317e-10  1.34919323e-29]
 [ 1.13916317e-10 -1.13916317e-10 -1.34804738e-29]
 [-1.13916317e-10  1.13916317e-10  1.34876354e-29]
 [-1.13916317e-10 -1.13916317e-10 -1.34876354e-29]
 [ 1.13916317e-10  1.13916317e-10  1.34831594e-29]]
stress =  [ 1.45100642e-11  1.45100642e-11  3.55360025e-11  1.05197351e-26
 -2.57166058e-35 -7.02940825e-51]
energy per atom =  -1.5435306020335273
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0