element(s):
['Sr']
AFLOW prototype label:
A_hP1_191_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:
['4.0726', '0.93598684']
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 =  191
cell =  [[4.0726, 0, 0], [-2.0363, 3.5269750594525, 0], [0, 0, 3.8119]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:57:04       -0.781387         0.916831
BFGS:    1 17:57:04       -0.806628         0.862900
BFGS:    2 17:57:04       -0.874887         0.280946
BFGS:    3 17:57:04       -0.873963         0.406780
BFGS:    4 17:57:04       -0.878905         0.056214
BFGS:    5 17:57:04       -0.879001         0.032642
BFGS:    6 17:57:04       -0.879018         0.014162
BFGS:    7 17:57:04       -0.879023         0.003796
BFGS:    8 17:57:04       -0.879023         0.000598
BFGS:    9 17:57:04       -0.879023         0.000059
BFGS:   10 17:57:04       -0.879023         0.000003
BFGS:   11 17:57:04       -0.879023         0.000000
BFGS:   12 17:57:04       -0.879023         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.41826111345869e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.7668116721605505, 5.340871377012348e-17, -2.2268417408200617e-36], [-1.8834058360802752, 3.2621545993627774, 4.6702845727573157e-36], [-2.079800869906886e-34, -1.214530296613642e-34, 3.6871388466014565]])
forces =  [[0. 0. 0.]]
stress =  [ 8.41826111e-12  8.41826111e-12  2.19754751e-12  2.60520304e-46
  4.71166454e-46 -1.52454465e-27]
energy per atom =  -0.8790231433174542
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0