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 17:22:48      -12.181935        0.3624
BFGS:    1 17:22:48      -12.190435        0.3586
BFGS:    2 17:22:48      -12.254054        0.3272
BFGS:    3 17:22:48      -12.290767        0.2970
BFGS:    4 17:22:48      -12.307559        0.2694
BFGS:    5 17:22:48      -12.311691        0.2486
BFGS:    6 17:22:48      -12.314224        0.2307
BFGS:    7 17:22:48      -12.320814        0.1811
BFGS:    8 17:22:48      -12.328161        0.1248
BFGS:    9 17:22:48      -12.336312        0.1001
BFGS:   10 17:22:48      -12.344291        0.0651
BFGS:   11 17:22:48      -12.346802        0.0374
BFGS:   12 17:22:48      -12.347093        0.0319
BFGS:   13 17:22:48      -12.347195        0.0308
BFGS:   14 17:22:48      -12.347268        0.0297
BFGS:   15 17:22:48      -12.347547        0.0240
BFGS:   16 17:22:48      -12.347876        0.0141
BFGS:   17 17:22:48      -12.348094        0.0112
BFGS:   18 17:22:48      -12.348194        0.0103
BFGS:   19 17:22:48      -12.348184        0.0099
BFGS:   20 17:22:48      -12.348245        0.0005
BFGS:   21 17:22:48      -12.348245        0.0001
BFGS:   22 17:22:48      -12.348245        0.0000
BFGS:   23 17:22:48      -12.348245        0.0000
BFGS:   24 17:22:48      -12.348245        0.0000
BFGS:   25 17:22:48      -12.348245        0.0000
Minimization converged after 25 steps.
Maximum force component: 1.1391321137132698e-10 eV/Angstrom
Maximum stress component: 3.553622314847529e-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 6.21523501e-34]
 [3.20208976e-01 8.20208976e-01 1.65739600e-33]
 [8.20208976e-01 6.79791024e-01 4.14349001e-33]
 [1.79791024e-01 3.20208976e-01 8.28698001e-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([[8.056059272708293, -4.7947721375925365e-37, -6.427264517412301e-33], [-2.276168096437663e-36, 8.056059272708291, 6.634976250952179e-17], [-1.3682650419537928e-32, 5.764718434438633e-17, 7.436938199176125]])
forces =  [[-1.13913211e-10 -1.13913211e-10 -9.38190034e-28]
 [ 1.13913211e-10  1.13913211e-10  9.38190034e-28]
 [ 1.13913211e-10 -1.13913211e-10 -9.38190034e-28]
 [-1.13913211e-10  1.13913211e-10  9.38190034e-28]
 [ 1.13913211e-10 -1.13913211e-10 -9.38190034e-28]
 [-1.13913211e-10  1.13913211e-10  9.38190034e-28]
 [-1.13913211e-10 -1.13913211e-10 -9.38190034e-28]
 [ 1.13913211e-10  1.13913211e-10  9.38190034e-28]]
stress =  [ 1.45099526e-11  1.45099526e-11  3.55362231e-11 -8.90464786e-27
 -2.90215935e-44  6.94358935e-60]
energy per atom =  -1.5435306020335264
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0