{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.099582 0.299882 0.5 ] [ 0.299882 0.900418 0.5 ] [ 0.700118 0.099582 0.5 ] [ 0.900418 0.700118 0.5 ] [ 0.599582 0.799882 0 ] [ 0.799882 0.400418 0 ] [ 0.200118 0.599582 0 ] [ 0.400418 0.200118 0 ] ] } "species" { "source-value" [ "Sc" "Sc" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.68775763841 "source-unit" "angstrom" } "c" { "source-value" 4.11873850199 "source-unit" "angstrom" } }