{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.666144 0.166144 0.507879 ] [ 0.833856 0.666144 0.492121 ] [ 0.166144 0.333856 0.492121 ] [ 0.333856 0.833856 0.507879 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.861302 0.361302 0.943523 ] [ 0.138698 0.638698 0.943523 ] [ 0.638698 0.861302 0.056477 ] [ 0.361302 0.138698 0.056477 ] [ 0.689904 0.42045 0.801496 ] [ 0.310096 0.57955 0.801496 ] [ 0.42045 0.310096 0.198504 ] [ 0.57955 0.689904 0.198504 ] [ 0.92045 0.189904 0.801496 ] [ 0.810096 0.92045 0.198504 ] [ 0.189904 0.07955 0.198504 ] [ 0.07955 0.810096 0.801496 ] [ 0.859971 0.359971 0.253536 ] [ 0.640029 0.859971 0.746464 ] [ 0.5 0 0.164772 ] [ 0 0.5 0.835228 ] [ 0.140029 0.640029 0.253536 ] [ 0.359971 0.140029 0.746464 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mg" "Mg" "Si" "Si" "Si" "Si" "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" 8.09717995 "source-unit" "angstrom" } "c" { "source-value" 5.22654001 "source-unit" "angstrom" } }