element(s):
['Sr']
AFLOW prototype label:
A_hP2_194_c
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:
['4.2616', '1.6451333']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.2616, 0, 0], [-2.1308, 3.6906538607678, 0], [0, 0, 7.0109]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:10:22       -1.643259        1.1334
BFGS:    1 15:10:22       -1.697790        1.1435
BFGS:    2 15:10:22       -1.866338        1.1349
BFGS:    3 15:10:22       -2.025758        1.0356
BFGS:    4 15:10:22       -2.156607        0.7681
BFGS:    5 15:10:22       -2.227160        0.2266
BFGS:    6 15:10:22       -2.229597        0.1089
BFGS:    7 15:10:22       -2.230236        0.0449
BFGS:    8 15:10:22       -2.230272        0.0365
BFGS:    9 15:10:22       -2.230372        0.0036
BFGS:   10 15:10:22       -2.230373        0.0006
BFGS:   11 15:10:22       -2.230373        0.0000
BFGS:   12 15:10:22       -2.230373        0.0000
BFGS:   13 15:10:22       -2.230373        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.9764480128965085e-34 eV/Angstrom
Maximum stress component: 1.2578707208021937e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.793001798798871, -1.550249720114799e-17, 3.5586489347149852e-37], [-1.8965008993994354, 3.2848359143598933, -4.542360132073155e-36], [3.026461033841645e-36, 3.416573551397808e-36, 6.1940695576468805]])
forces =  [[9.71458655e-71 1.09668022e-70 1.98822401e-34]
 [1.94291731e-70 2.19336044e-70 3.97644801e-34]]
stress =  [ 1.25787072e-12  1.25787072e-12 -6.95958092e-14  7.57252497e-35
 -2.68046035e-49 -2.58734026e-28]
energy per atom =  -1.1151866823622898
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0