{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.255157 ] [ 0 0.5 0.744843 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.131045 ] [ 0.5 0 0.868955 ] [ 0 0.5 0.371795 ] [ 0.5 0 0.628205 ] [ 0.5 0.5 0 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Y" "Y" "Si" "Si" "Si" "Si" "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" 4.14000856 "source-unit" "angstrom" } "c" { "source-value" 9.85594006 "source-unit" "angstrom" } }