{ "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 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0.744059 0.150483 0.078689 ] [ 0.650483 0.255941 0.828689 ] [ 0.349517 0.744059 0.828689 ] [ 0.255941 0.849517 0.078689 ] [ 0.244059 0.150483 0.671311 ] [ 0.150483 0.255941 0.921311 ] [ 0.849517 0.744059 0.921311 ] [ 0.755941 0.849517 0.671311 ] [ 0.244059 0.650483 0.578689 ] [ 0.150483 0.755941 0.328689 ] [ 0.849517 0.244059 0.328689 ] [ 0.755941 0.349517 0.578689 ] [ 0.744059 0.650483 0.171311 ] [ 0.650483 0.755941 0.421311 ] [ 0.349517 0.244059 0.421311 ] [ 0.255941 0.349517 0.171311 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Ge" "Ge" "Ge" "Ge" "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" 5.19111568 "source-unit" "angstrom" } "c" { "source-value" 11.6127413 "source-unit" "angstrom" } }