{ "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 0.25 0.625 ] [ 0 0.25 0.875 ] [ 0 0.75 0.125 ] [ 0.5 0.75 0.375 ] [ 0 0.75 0.542006 ] [ 0.5 0.75 0.792006 ] [ 0.5 0.75 0.957994 ] [ 0 0.75 0.707994 ] [ 0.5 0.25 0.042006 ] [ 0 0.25 0.292006 ] [ 0 0.25 0.457994 ] [ 0.5 0.25 0.207994 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "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" 4.12281561456 "source-unit" "angstrom" } "c" { "source-value" 14.5062677222 "source-unit" "angstrom" } }