{ "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 0.849854 ] [ 0.5 0.5 0.150146 ] [ 0 0 0.349854 ] [ 0 0 0.650146 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.16696 ] [ 0 0 0.83304 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.66696 ] [ 0.5 0.5 0.33304 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Si" "Si" "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" 3.49973995 "source-unit" "angstrom" } "c" { "source-value" 10.73367391 "source-unit" "angstrom" } }