{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.857788 ] [ 0.5 0.5 0.142212 ] [ 0 0 0.357788 ] [ 0 0 0.642212 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.855133 ] [ 0 0 0.144867 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.355133 ] [ 0.5 0.5 0.644867 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16691738664 "source-unit" "angstrom" } "c" { "source-value" 16.9032915183 "source-unit" "angstrom" } }