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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 09:48:48       -5.994149         0.926141
BFGS:    1 09:48:48       -6.029720         0.923708
BFGS:    2 09:48:48       -6.163521         0.911581
BFGS:    3 09:48:48       -6.295964         0.894693
BFGS:    4 09:48:48       -6.426331         0.872784
BFGS:    5 09:48:48       -6.553787         0.848811
BFGS:    6 09:48:48       -6.677321         0.820692
BFGS:    7 09:48:48       -6.795897         0.785584
BFGS:    8 09:48:48       -6.908333         0.741986
BFGS:    9 09:48:48       -7.013239         0.688691
BFGS:   10 09:48:48       -7.108899         0.624940
BFGS:   11 09:48:48       -7.193153         0.549900
BFGS:   12 09:48:48       -7.264089         0.462142
BFGS:   13 09:48:48       -7.319541         0.360694
BFGS:   14 09:48:48       -7.357408         0.244725
BFGS:   15 09:48:48       -7.375897         0.124280
BFGS:   16 09:48:48       -7.378711         0.198856
BFGS:   17 09:48:48       -7.380896         0.224608
BFGS:   18 09:48:48       -7.391897         0.302525
BFGS:   19 09:48:48       -7.400421         0.292245
BFGS:   20 09:48:48       -7.407328         0.209659
BFGS:   21 09:48:48       -7.409882         0.138521
BFGS:   22 09:48:48       -7.411900         0.087769
BFGS:   23 09:48:48       -7.414473         0.069967
BFGS:   24 09:48:48       -7.415969         0.030536
BFGS:   25 09:48:48       -7.416308         0.012777
BFGS:   26 09:48:48       -7.416341         0.002254
BFGS:   27 09:48:48       -7.416342         0.000089
BFGS:   28 09:48:48       -7.416342         0.000004
BFGS:   29 09:48:48       -7.416342         0.000000
BFGS:   30 09:48:48       -7.416342         0.000000
Minimization converged after 30 steps.
Maximum force component: 8.259001893550538e-10 eV/Angstrom
Maximum stress component: 1.2533159223334911e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr', 'Sr']
basis =  [[6.74695152e-01 1.74695152e-01 0.00000000e+00]
 [3.25304848e-01 8.25304848e-01 0.00000000e+00]
 [8.25304848e-01 6.74695152e-01 5.83538746e-34]
 [1.74695152e-01 3.25304848e-01 5.83538746e-35]
 [3.25304848e-01 1.74695152e-01 5.00000000e-01]
 [6.74695152e-01 8.25304848e-01 5.00000000e-01]
 [1.74695152e-01 6.74695152e-01 5.00000000e-01]
 [8.25304848e-01 3.25304848e-01 5.00000000e-01]]
cellpar =  Cell([[7.30622913024963, -5.571382731851942e-36, -3.7889864998651207e-32], [-4.1723299179976266e-36, 7.30622913024963, -7.738194261275956e-18], [3.44519739482073e-33, -6.736650429934755e-18, 6.60086398220067]])
forces =  [[-8.25900189e-10 -8.25900189e-10  8.74729767e-28]
 [ 8.25900189e-10  8.25900189e-10 -8.74729767e-28]
 [ 8.25900189e-10 -8.25900189e-10  8.74729767e-28]
 [-8.25900189e-10  8.25900189e-10 -8.74729767e-28]
 [ 8.25900189e-10 -8.25900189e-10  8.74729767e-28]
 [-8.25900189e-10  8.25900189e-10 -8.74729767e-28]
 [-8.25900189e-10 -8.25900189e-10  8.74729767e-28]
 [ 8.25900189e-10  8.25900189e-10 -8.74729767e-28]]
stress =  [-1.25331592e-11 -1.25331592e-11 -5.22043812e-12  1.08831964e-27
  4.31744535e-45 -1.19296517e-60]
energy per atom =  -0.9270427291820492
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0