{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0.5 0 0.834566 ] [ 0 0 0.084566 ] [ 0.5 0 0.665434 ] [ 0 0 0.915434 ] [ 0 0.5 0.334566 ] [ 0.5 0.5 0.584566 ] [ 0 0.5 0.165434 ] [ 0.5 0.5 0.415434 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.2194117 "source-unit" "angstrom" } "c" { "source-value" 13.97622195 "source-unit" "angstrom" } }