{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.664023 0.153688 0.5 ] [ 0.153688 0.335977 0.5 ] [ 0.335977 0.846312 0.5 ] [ 0.846312 0.664023 0.5 ] [ 0.164023 0.653688 0 ] [ 0.653688 0.835977 0 ] [ 0.835977 0.346312 0 ] [ 0.346312 0.164023 0 ] [ 0.96461 0.336971 0.5 ] [ 0.03539 0.663029 0.5 ] [ 0.336971 0.03539 0.5 ] [ 0.663029 0.96461 0.5 ] [ 0.84291 0.794919 0 ] [ 0.205081 0.84291 0 ] [ 0.15709 0.205081 0 ] [ 0.794919 0.15709 0 ] [ 0.46461 0.836971 0 ] [ 0.53539 0.163029 0 ] [ 0.836971 0.53539 0 ] [ 0.163029 0.46461 0 ] [ 0.34291 0.294919 0.5 ] [ 0.705081 0.34291 0.5 ] [ 0.65709 0.705081 0.5 ] [ 0.294919 0.65709 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.0071905314 "source-unit" "angstrom" } "c" { "source-value" 3.02097376798 "source-unit" "angstrom" } }