{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.178184 0.678184 0.139973 ] [ 0.321816 0.178184 0.139973 ] [ 0.678184 0.821816 0.139973 ] [ 0.678184 0.821816 0.860027 ] [ 0.321816 0.178184 0.860027 ] [ 0.178184 0.678184 0.860027 ] [ 0.821816 0.321816 0.860027 ] [ 0.821816 0.321816 0.139973 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.678184 0.178184 0.639973 ] [ 0.821816 0.678184 0.639973 ] [ 0.178184 0.321816 0.639973 ] [ 0.178184 0.321816 0.360027 ] [ 0.821816 0.678184 0.360027 ] [ 0.678184 0.178184 0.360027 ] [ 0.321816 0.821816 0.360027 ] [ 0.321816 0.821816 0.639973 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.381556 0.881556 0 ] [ 0.118444 0.381556 0 ] [ 0.881556 0.618444 0 ] [ 0.618444 0.118444 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.881556 0.381556 0.5 ] [ 0.618444 0.881556 0.5 ] [ 0.381556 0.118444 0.5 ] [ 0.118444 0.618444 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.73183267793 "source-unit" "angstrom" } "c" { "source-value" 14.8780118969 "source-unit" "angstrom" } }