{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.570945 0.5 0.757093 ] [ 0.929055 0 0.257093 ] [ 0.070945 0 0.742907 ] [ 0.429055 0.5 0.242907 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.568338 0 0.647035 ] [ 0.931662 0.5 0.147035 ] [ 0.068338 0.5 0.852965 ] [ 0.431662 0 0.352965 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99784331 "source-unit" "angstrom" } "b" { "source-value" 4.02644751 "source-unit" "angstrom" } "c" { "source-value" 13.49954738 "source-unit" "angstrom" } }