element(s):
['Sr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7514']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.7514, 0, 0], [0, 4.7514, 0], [0, 0, 4.7514]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:09:19       -1.682791        1.0649
BFGS:    1 18:09:19       -1.731305        1.0600
BFGS:    2 18:09:19       -1.887150        0.9987
BFGS:    3 18:09:19       -2.023869        0.7963
BFGS:    4 18:09:19       -2.115333        0.3785
BFGS:    5 18:09:19       -2.124254        0.3078
BFGS:    6 18:09:19       -2.131840        0.0452
BFGS:    7 18:09:19       -2.132035        0.0045
BFGS:    8 18:09:19       -2.132036        0.0001
BFGS:    9 18:09:19       -2.132036        0.0000
BFGS:   10 18:09:19       -2.132036        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.842151059826589e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.292683272254186, 1.8930832919261915e-33, 3.0817967873391506e-33], [1.0540406398216058e-32, 4.292683272254186, 3.369236321566948e-17], [-1.4933877161842906e-32, 3.369236321566948e-17, 4.292683272254186]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.84215106e-14  7.84215106e-14  7.84215106e-14 -2.12445879e-29
  2.78709342e-35 -8.99573227e-51]
energy per atom =  -1.0660182040431017
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0