element(s):
['Sr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0197']
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 =  225
cell =  [[6.0197, 0, 0], [0, 6.0197, 0], [0, 0, 6.0197]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:18:18       -3.336139        1.1256
BFGS:    1 17:18:18       -3.390526        1.1291
BFGS:    2 17:18:18       -3.560233        1.1337
BFGS:    3 17:18:18       -3.729271        1.1166
BFGS:    4 17:18:18       -3.893996        1.0750
BFGS:    5 17:18:18       -4.050167        1.0012
BFGS:    6 17:18:18       -4.192627        0.8889
BFGS:    7 17:18:18       -4.314008        0.7192
BFGS:    8 17:18:18       -4.404914        0.4797
BFGS:    9 17:18:18       -4.454663        0.1614
BFGS:   10 17:18:18       -4.459202        0.0473
BFGS:   11 17:18:18       -4.459584        0.0028
BFGS:   12 17:18:18       -4.459585        0.0000
BFGS:   13 17:18:18       -4.459585        0.0000
BFGS:   14 17:18:18       -4.459585        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4815218292981706e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.82711353e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.74526236e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.363528624305178, 5.458972032361862e-33, -4.409700009453094e-34], [8.554735930014088e-33, 5.363528624305178, -1.3881113886224812e-17], [4.481522422436666e-34, -1.3881113886224824e-17, 5.363528624305178]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.48152183e-14  1.48152183e-14  1.48152183e-14  6.14480699e-35
 -4.46321719e-36  1.18963516e-53]
energy per atom =  -1.1148963123636697
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0