{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2nm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.241378 ] [ 0.5 0.5 0.741378 ] [ 0.800512 0.800512 0.447809 ] [ 0.199488 0.199488 0.447809 ] [ 0.300512 0.699488 0.947809 ] [ 0.699488 0.300512 0.947809 ] [ 0.807458 0.192542 0.056502 ] [ 0.192542 0.807458 0.056502 ] [ 0.307458 0.307458 0.556502 ] [ 0.692542 0.692542 0.556502 ] ] } "species" { "source-value" [ "Mg" "Mg" "C" "C" "C" "C" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.23644844 "source-unit" "angstrom" } "c" { "source-value" 6.23666537 "source-unit" "angstrom" } }