{ "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 0.087571 0.75 ] [ 0 0.912429 0.25 ] [ 0.5 0.587571 0.75 ] [ 0.5 0.412429 0.25 ] [ 0.5 0.893229 0.75 ] [ 0.5 0.106771 0.25 ] [ 0 0.393229 0.75 ] [ 0 0.606771 0.25 ] [ 0.5 0.246066 0.75 ] [ 0.5 0.753934 0.25 ] [ 0 0.746066 0.75 ] [ 0 0.253934 0.25 ] [ 0.237727 0 0.5 ] [ 0.762273 0 0 ] [ 0.762273 0 0.5 ] [ 0.237727 0 0 ] [ 0.737727 0.5 0.5 ] [ 0.262273 0.5 0 ] [ 0.262273 0.5 0.5 ] [ 0.737727 0.5 0 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.71564664553 "source-unit" "angstrom" } "b" { "source-value" 12.6835976895 "source-unit" "angstrom" } "c" { "source-value" 5.65433072 "source-unit" "angstrom" } }