{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0.808962 ] [ 0 0 0.191038 ] [ 0.5 0.5 0.308962 ] [ 0.5 0.5 0.691038 ] [ 0 0.5 0.768451 ] [ 0 0.5 0.231549 ] [ 0 0 0 ] [ 0.5 0 0.268451 ] [ 0.5 0 0.731549 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Li" "Li" "Li" "Li" "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" 4.55818223403 "source-unit" "angstrom" } "b" { "source-value" 5.3055156538 "source-unit" "angstrom" } "c" { "source-value" 12.5719157286 "source-unit" "angstrom" } }