LAMMPS (28 Feb 2019)

# example for performing a query to the OpenKIM test database to retrieve
# a parameter to be used in the input. here it requests the aluminium
# lattice constant for a specific test used for a specific model and then
# assigns it to the variable 'latconst'

units metal
info variables out log

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Printed on Fri Mar 22 20:00:56 2019


Variable information:

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kim_query latconst get_test_result test=TE_156715955670 species=["Al"] model=MO_800509458712 prop=structure-cubic-crystal-npt keys=["a"] units=["angstrom"]
info variables out log

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Printed on Fri Mar 22 20:00:57 2019


Variable information:
Variable[  0]: latconst  ,  style = string    ,  def = 4.03208274841

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lattice fcc ${latconst}
lattice fcc 4.03208274841
Lattice spacing in x,y,z = 4.03208 4.03208 4.03208
Total wall time: 0:00:00