{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.875 ] [ 0.5 0.75 0.125 ] [ 0 0.75 0.375 ] [ 0 0.25 0.625 ] [ 0 0.75 0.875 ] [ 0 0.25 0.125 ] [ 0.5 0.25 0.375 ] [ 0.5 0.75 0.625 ] [ 0.222138 0.910022 0.045309 ] [ 0.339978 0.972138 0.795309 ] [ 0.660022 0.527862 0.795309 ] [ 0.777862 0.589978 0.045309 ] [ 0.777862 0.089978 0.954691 ] [ 0.660022 0.027862 0.204691 ] [ 0.339978 0.472138 0.204691 ] [ 0.222138 0.410022 0.954691 ] [ 0.722138 0.410022 0.545309 ] [ 0.839978 0.472138 0.295309 ] [ 0.160022 0.027862 0.295309 ] [ 0.277862 0.089978 0.545309 ] [ 0.277862 0.589978 0.454691 ] [ 0.160022 0.527862 0.704691 ] [ 0.839978 0.972138 0.704691 ] [ 0.722138 0.910022 0.454691 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.36343188281 "source-unit" "angstrom" } "c" { "source-value" 11.2921265945 "source-unit" "angstrom" } }