{ "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 0 0 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.972326 ] [ 0 0.5 0.527674 ] [ 0 0 0.722326 ] [ 0.5 0.5 0.777674 ] [ 0.5 0 0.472326 ] [ 0.5 0 0.027674 ] [ 0.5 0.5 0.222326 ] [ 0 0 0.277674 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Tm" "Tm" "Tm" "Tm" "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" 4.39721636 "source-unit" "angstrom" } "c" { "source-value" 10.2390862 "source-unit" "angstrom" } }