{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.143741 ] [ 0.5 0.5 0.856259 ] [ 0 0 0.643741 ] [ 0 0 0.356259 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.853024 ] [ 0 0 0.146976 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.353024 ] [ 0.5 0.5 0.646976 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.0391258386 "source-unit" "angstrom" } "c" { "source-value" 13.6850018433 "source-unit" "angstrom" } }