{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.152441 ] [ 0.5 0 0.350564 ] [ 0 0.5 0.251061 ] [ 0 0.5 0.450324 ] [ 0.5 0 0.549676 ] [ 0.5 0 0.748939 ] [ 0 0.5 0.649436 ] [ 0 0.5 0.847559 ] [ 0.5 0 0.94317 ] [ 0 0.5 0.05683 ] [ 0 0 0.300996 ] [ 0.5 0.5 0.400609 ] [ 0 0 0.5 ] [ 0.5 0.5 0.599391 ] [ 0 0 0.699004 ] [ 0.5 0.5 0.699737 ] [ 0.5 0.5 0.800047 ] [ 0 0 0.892639 ] [ 0 0 0.796648 ] [ 0.5 0.5 0.90216 ] [ 0 0 0 ] [ 0 0 0.107361 ] [ 0.5 0.5 0.09784 ] [ 0.5 0.5 0.199953 ] [ 0 0 0.203352 ] [ 0.5 0.5 0.300263 ] [ 0 0 0.400152 ] [ 0.5 0.5 0.5 ] [ 0 0 0.599848 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Nd" "Nd" "O" "O" "O" "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" 3.88112426 "source-unit" "angstrom" } "c" { "source-value" 27.56299111 "source-unit" "angstrom" } }