{ "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 0.24211 0.75 ] [ 0.5 0.75789 0.25 ] [ 0 0.74211 0.75 ] [ 0 0.25789 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.960338 0.75 ] [ 0.5 0.039662 0.25 ] [ 0 0.460338 0.75 ] [ 0 0.539662 0.25 ] [ 0.5 0.884213 0.942326 ] [ 0.5 0.115787 0.057674 ] [ 0.5 0.115787 0.442326 ] [ 0.5 0.884213 0.557674 ] [ 0 0.053668 0.75 ] [ 0 0.946332 0.25 ] [ 0 0.384213 0.942326 ] [ 0 0.615787 0.057674 ] [ 0 0.615787 0.442326 ] [ 0 0.384213 0.557674 ] [ 0.5 0.553668 0.75 ] [ 0.5 0.446332 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ho" "Ho" "Ho" "Ho" "Zn" "Zn" "Zn" "Zn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17171555 "source-unit" "angstrom" } "b" { "source-value" 16.29655248 "source-unit" "angstrom" } "c" { "source-value" 11.00256999 "source-unit" "angstrom" } }