{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.62105 0.633756 ] [ 0.75 0.37895 0.366244 ] [ 0.25 0.12105 0.866244 ] [ 0.75 0.87895 0.133756 ] [ 0.75 0.679929 0.46147 ] [ 0.25 0.820071 0.96147 ] [ 0.75 0.179929 0.03853 ] [ 0.25 0.320071 0.53853 ] [ 0.25 0.528124 0.203552 ] [ 0.75 0.971876 0.703552 ] [ 0.25 0.028124 0.296448 ] [ 0.75 0.471876 0.796448 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "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" 4.02615989 "source-unit" "angstrom" } "b" { "source-value" 8.04963674 "source-unit" "angstrom" } "c" { "source-value" 10.49309431 "source-unit" "angstrom" } }