{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.750996 0.25 ] [ 0 0.249004 0.75 ] [ 0.5 0.250996 0.25 ] [ 0.5 0.749004 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.963092 0.25 ] [ 0.5 0.036908 0.75 ] [ 0 0.463092 0.25 ] [ 0 0.536908 0.75 ] [ 0.5 0.119805 0.546439 ] [ 0.5 0.880195 0.453561 ] [ 0.5 0.880195 0.046439 ] [ 0.5 0.119805 0.953561 ] [ 0 0.065245 0.25 ] [ 0 0.934755 0.75 ] [ 0 0.619805 0.546439 ] [ 0 0.380195 0.453561 ] [ 0 0.380195 0.046439 ] [ 0 0.619805 0.953561 ] [ 0.5 0.565245 0.25 ] [ 0.5 0.434755 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Dy" "Dy" "Dy" "Dy" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.5472261 "source-unit" "angstrom" } "b" { "source-value" 17.38679302 "source-unit" "angstrom" } "c" { "source-value" 11.88901859 "source-unit" "angstrom" } }