{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.418187 ] [ 0 0.5 0.581813 ] [ 0.5 0 0.774511 ] [ 0 0.5 0.225489 ] [ 0.694682 0.194682 0.892881 ] [ 0.194682 0.305318 0.107119 ] [ 0.305318 0.805318 0.892881 ] [ 0.805318 0.694682 0.107119 ] [ 0.81535 0.68465 0.404289 ] [ 0.31535 0.81535 0.595711 ] [ 0.18465 0.31535 0.404289 ] [ 0.225543 0.274457 0.739487 ] [ 0.774457 0.725543 0.739487 ] [ 0.725543 0.225543 0.260513 ] [ 0.274457 0.774457 0.260513 ] [ 0.68465 0.18465 0.595711 ] ] } "species" { "source-value" [ "Li" "Li" "Re" "Re" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.83907743 "source-unit" "angstrom" } "c" { "source-value" 9.06250436 "source-unit" "angstrom" } }