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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Sr__MO_497591319122_004
==== 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 17:16:01       -6.054387        0.4196
BFGS:    1 17:16:01       -6.060843        0.3983
BFGS:    2 17:16:01       -6.102101        0.2271
BFGS:    3 17:16:01       -6.122494        0.0765
BFGS:    4 17:16:01       -6.125595        0.0096
BFGS:    5 17:16:01       -6.125618        0.0062
BFGS:    6 17:16:01       -6.125619        0.0063
BFGS:    7 17:16:01       -6.125626        0.0054
BFGS:    8 17:16:01       -6.125629        0.0031
BFGS:    9 17:16:01       -6.125631        0.0006
BFGS:   10 17:16:01       -6.125631        0.0001
BFGS:   11 17:16:01       -6.125631        0.0000
BFGS:   12 17:16:01       -6.125631        0.0000
BFGS:   13 17:16:01       -6.125631        0.0000
BFGS:   14 17:16:01       -6.125631        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.2085081552963944e-32 eV/Angstrom
Maximum stress component: 3.2675204736775842e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr']
basis =  [[9.57492461e-33 8.48705452e-34 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.15648771e-32 7.50000000e-01]]
cellpar =  Cell([[7.64481997119601, 4.5044042093526414e-37, -9.369431147602205e-40], [-7.018291152032383e-37, 7.644819971196011, 1.7365362754631392e-18], [1.0038738436780028e-37, 9.337178131799131e-19, 4.104816843154317]])
forces =  [[-1.76680652e-32  2.20850816e-32 -7.90558967e-34]
 [ 1.17787102e-32 -2.39255050e-33  1.97639742e-33]
 [ 5.96169477e-70 -6.62552447e-33 -4.94099355e-34]
 [-1.89234319e-69  2.06127428e-32  4.68222610e-51]]
stress =  [-3.26752047e-12 -3.26752047e-12 -4.03011253e-13 -8.85722981e-29
 -2.45493179e-35 -6.31038778e-52]
energy per atom =  -1.5314078330649505
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0