{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.870316 0.25 ] [ 0.5 0.129684 0.75 ] [ 0 0.370316 0.25 ] [ 0 0.629684 0.75 ] [ 0 0.895499 0.75 ] [ 0 0.104501 0.25 ] [ 0.5 0.395499 0.75 ] [ 0.5 0.604501 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.190505 0.25 ] [ 0.5 0.809495 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.690505 0.25 ] [ 0 0.309495 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Li" "Li" "Li" "Li" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17772499892 "source-unit" "angstrom" } "b" { "source-value" 14.6262095824 "source-unit" "angstrom" } "c" { "source-value" 7.27664764 "source-unit" "angstrom" } }