{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.17536 0.67536 0 ] [ 0.67536 0.82464 0 ] [ 0.32464 0.17536 0 ] [ 0.82464 0.32464 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.376487 0.876487 0 ] [ 0.876487 0.623513 0 ] [ 0.123513 0.376487 0 ] [ 0.623513 0.123513 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.287722 0.429846 0.5 ] [ 0.712279 0.570154 0.5 ] [ 0.570154 0.287722 0.5 ] [ 0.429846 0.712279 0.5 ] [ 0.929846 0.787721 0.5 ] [ 0.787721 0.070154 0.5 ] [ 0.212278 0.929846 0.5 ] [ 0.070154 0.212278 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Si" "Si" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.24687714 "source-unit" "angstrom" } "c" { "source-value" 3.13392934 "source-unit" "angstrom" } }