{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.873483 0.69647 0.5 ] [ 0.69647 0.126517 0.5 ] [ 0.30353 0.873483 0.5 ] [ 0.126517 0.30353 0.5 ] [ 0.817186 0.3955 0 ] [ 0.6045 0.817186 0 ] [ 0.182814 0.6045 0 ] [ 0.3955 0.182814 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.29255545 "source-unit" "angstrom" } "c" { "source-value" 4.00647584 "source-unit" "angstrom" } }