{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.662988 0.206724 ] [ 0 0.337012 0.793276 ] [ 0 0.162988 0.293276 ] [ 0 0.837012 0.706724 ] [ 0.5 0.162988 0.206724 ] [ 0.5 0.837012 0.793276 ] [ 0.5 0.662988 0.293276 ] [ 0.5 0.337012 0.706724 ] [ 0 0.338946 0.711265 ] [ 0 0.661054 0.288735 ] [ 0 0.838946 0.788735 ] [ 0 0.161054 0.211265 ] [ 0.5 0.838946 0.711265 ] [ 0.5 0.161054 0.288735 ] [ 0.5 0.338946 0.788735 ] [ 0.5 0.661054 0.211265 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "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" 6.00432085922 "source-unit" "angstrom" } "b" { "source-value" 6.00706185876 "source-unit" "angstrom" } "c" { "source-value" 32.82622669 "source-unit" "angstrom" } }