{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/ncm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.075078 ] [ 0.75 0.75 0.575078 ] [ 0.25 0.25 0.424922 ] [ 0.25 0.25 0.924922 ] [ 0.558364 0.558364 0.159755 ] [ 0.941636 0.558364 0.659755 ] [ 0.558364 0.941636 0.659755 ] [ 0.058364 0.441636 0.340245 ] [ 0.441636 0.058364 0.340245 ] [ 0.941636 0.941636 0.159755 ] [ 0.058364 0.058364 0.840245 ] [ 0.441636 0.441636 0.840245 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.83130318 "source-unit" "angstrom" } "c" { "source-value" 10.688371 "source-unit" "angstrom" } }