{ "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" [ [ 0.5 0.249783 0.75 ] [ 0.5 0.750217 0.25 ] [ 0 0.749783 0.75 ] [ 0 0.250217 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.965577 0.75 ] [ 0.5 0.034423 0.25 ] [ 0 0.465577 0.75 ] [ 0 0.534423 0.25 ] [ 0.5 0.12292 0.443703 ] [ 0.5 0.87708 0.556297 ] [ 0.5 0.87708 0.943703 ] [ 0.5 0.12292 0.056297 ] [ 0 0.06635 0.75 ] [ 0 0.93365 0.25 ] [ 0 0.62292 0.443703 ] [ 0 0.37708 0.556297 ] [ 0 0.37708 0.943703 ] [ 0 0.62292 0.056297 ] [ 0.5 0.56635 0.75 ] [ 0.5 0.43365 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "La" "La" "La" "La" "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" 4.71615052 "source-unit" "angstrom" } "b" { "source-value" 17.3232471 "source-unit" "angstrom" } "c" { "source-value" 12.30546364 "source-unit" "angstrom" } }