element(s):
['Sr']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4144', '0.53583567']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[7.4144, 0, 0], [0, 7.4144, 0], [0, 0, 3.9729]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:16:53       -5.509859        0.5249
BFGS:    1 15:16:53       -5.520322        0.4955
BFGS:    2 15:16:53       -5.577784        0.3413
BFGS:    3 15:16:53       -5.612962        0.1753
BFGS:    4 15:16:53       -5.629640        0.0780
BFGS:    5 15:16:53       -5.631859        0.0416
BFGS:    6 15:16:53       -5.632015        0.0251
BFGS:    7 15:16:53       -5.632029        0.0228
BFGS:    8 15:16:53       -5.632127        0.0130
BFGS:    9 15:16:53       -5.632181        0.0080
BFGS:   10 15:16:53       -5.632204        0.0022
BFGS:   11 15:16:53       -5.632206        0.0006
BFGS:   12 15:16:54       -5.632206        0.0000
BFGS:   13 15:16:54       -5.632206        0.0000
BFGS:   14 15:16:54       -5.632206        0.0000
BFGS:   15 15:16:54       -5.632206        0.0000
Minimization converged after 15 steps.
Maximum force component: 5.96355087013092e-32 eV/Angstrom
Maximum stress component: 1.0256887991228052e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.35765712e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.70173580e-32 7.50000000e-01]]
cellpar =  Cell([[7.741131612173353, 6.76738463360085e-38, -5.218754119882947e-39], [-5.381104566491181e-37, 7.741131612173351, 7.266145735935244e-18], [2.0117965556195953e-37, 3.918446137013096e-18, 4.143665402985389]])
forces =  [[ 5.96355087e-32  3.57813052e-32  3.35858104e-50]
 [ 2.38542035e-32  3.42904175e-32  3.21864016e-50]
 [ 1.19271017e-32 -2.38542035e-32 -2.23905402e-50]
 [ 3.57813052e-32 -3.57813052e-32 -7.98040928e-34]]
stress =  [ 2.29738594e-12  2.29738594e-12  1.02568880e-11 -5.89458539e-28
  3.11433638e-50 -9.76044882e-66]
energy per atom =  -1.4080515642010039
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0