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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_004
==== 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 15:32:51       -6.377311         0.243698
BFGS:    1 15:32:51       -6.379788         0.230663
BFGS:    2 15:32:51       -6.400979         0.055581
BFGS:    3 15:32:51       -6.402401         0.004517
BFGS:    4 15:32:51       -6.402411         0.000100
BFGS:    5 15:32:51       -6.402411         0.000000
BFGS:    6 15:32:51       -6.402411         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3557969846747888e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.36281837e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[6.12623419472039, -1.9663156808638585e-32, 2.5930978675146447e-33], [-4.7729298609592877e-35, 6.12623419472039, -1.6776866014094985e-17], [-2.5635840026691797e-33, -1.6776866014094985e-17, 6.12623419472039]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.35579698e-13 -1.35579698e-13 -1.35579698e-13 -7.69145156e-32
  1.16316400e-34 -2.74605555e-52]
energy per atom =  -1.6006027816512947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0