element(s):
['Sr']
AFLOW prototype label:
A_tI4_141_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:
['7.4144', '0.53583567']
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 =  141
cell =  [[7.4144, 0, 0], [0, 7.4144, 0], [0, 0, 3.9729]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:12       -3.059177        0.7866
BFGS:    1 17:16:12       -3.076368        0.7725
BFGS:    2 17:16:12       -3.147128        0.6952
BFGS:    3 17:16:12       -3.206780        0.5830
BFGS:    4 17:16:12       -3.252234        0.4307
BFGS:    5 17:16:12       -3.279820        0.2259
BFGS:    6 17:16:12       -3.285870        0.0582
BFGS:    7 17:16:12       -3.286243        0.0387
BFGS:    8 17:16:12       -3.286282        0.0345
BFGS:    9 17:16:12       -3.286499        0.0017
BFGS:   10 17:16:12       -3.286499        0.0002
BFGS:   11 17:16:12       -3.286499        0.0000
BFGS:   12 17:16:12       -3.286499        0.0000
Minimization converged after 12 steps.
Maximum force component: 4.660577086590495e-32 eV/Angstrom
Maximum stress component: 7.009743042555887e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr']
basis =  [[0.00000000e+00 8.47155269e-33 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.17164997e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.48286205e-32 7.50000000e-01]]
cellpar =  Cell([[7.117382284018597, 4.5945298775483e-37, -4.630630617729251e-38], [6.2329423471901134e-37, 7.117382284018596, -1.248151423673431e-17], [2.9631259949881875e-55, -6.686869576469759e-18, 3.7202001355092116]])
forces =  [[ 5.48303187e-33 -1.09660637e-32  1.92308176e-50]
 [-7.20252618e-70 -8.22454780e-33  1.44231132e-50]
 [-5.48303187e-33 -1.09660637e-32  1.92308176e-50]
 [-2.12467485e-32  4.66057709e-32 -8.17309749e-50]]
stress =  [ 3.06440075e-12  3.06440075e-12 -7.00974304e-12 -9.23137117e-31
 -3.96616375e-67  1.35114515e-65]
energy per atom =  -0.8216248560260938
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0