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 17:23:00       -5.994149        0.9261
BFGS:    1 17:23:00       -6.029720        0.9237
BFGS:    2 17:23:00       -6.163521        0.9116
BFGS:    3 17:23:00       -6.295964        0.8947
BFGS:    4 17:23:00       -6.426331        0.8728
BFGS:    5 17:23:00       -6.553787        0.8488
BFGS:    6 17:23:00       -6.677321        0.8207
BFGS:    7 17:23:00       -6.795897        0.7856
BFGS:    8 17:23:00       -6.908333        0.7420
BFGS:    9 17:23:00       -7.013239        0.6887
BFGS:   10 17:23:00       -7.108899        0.6249
BFGS:   11 17:23:00       -7.193153        0.5499
BFGS:   12 17:23:00       -7.264089        0.4621
BFGS:   13 17:23:00       -7.319541        0.3607
BFGS:   14 17:23:00       -7.357408        0.2447
BFGS:   15 17:23:00       -7.375897        0.1243
BFGS:   16 17:23:00       -7.378711        0.1989
BFGS:   17 17:23:00       -7.380896        0.2246
BFGS:   18 17:23:00       -7.391897        0.3025
BFGS:   19 17:23:00       -7.400421        0.2922
BFGS:   20 17:23:00       -7.407328        0.2097
BFGS:   21 17:23:00       -7.409882        0.1385
BFGS:   22 17:23:00       -7.411900        0.0878
BFGS:   23 17:23:00       -7.414473        0.0700
BFGS:   24 17:23:00       -7.415969        0.0305
BFGS:   25 17:23:00       -7.416308        0.0128
BFGS:   26 17:23:00       -7.416341        0.0023
BFGS:   27 17:23:00       -7.416342        0.0001
BFGS:   28 17:23:00       -7.416342        0.0000
BFGS:   29 17:23:00       -7.416342        0.0000
BFGS:   30 17:23:00       -7.416342        0.0000
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