element(s):
['Sr']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8303']
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 =  221
cell =  [[3.8303, 0, 0], [0, 3.8303, 0], [0, 0, 3.8303]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:16:31       -0.712022        0.4192
BFGS:    1 14:16:31       -0.719018        0.3582
BFGS:    2 14:16:31       -0.729911        0.2252
BFGS:    3 14:16:31       -0.733103        0.0510
BFGS:    4 14:16:31       -0.733315        0.0047
BFGS:    5 14:16:31       -0.733319        0.0063
BFGS:    6 14:16:31       -0.733308        0.0132
BFGS:    7 14:16:31       -0.733322        0.0000
BFGS:    8 14:16:31       -0.733322        0.0000
BFGS:    9 14:16:31       -0.733322        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.745525936698334e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.7127024983715606, -1.5756521211814673e-34, -3.705953115917003e-33], [6.606397263670562e-34, 3.7127024983715606, 1.1358223813318158e-17], [4.3993534580609656e-33, 1.1358223813318157e-17, 3.7127024983715606]])
forces =  [[0. 0. 0.]]
stress =  [-1.74552594e-13 -1.74552594e-13 -1.74552594e-13  9.07668497e-30
 -2.91084411e-37  8.43045066e-55]
energy per atom =  -0.7333218815726295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0