{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.67065 0.75 0.921242 ] [ 0.32935 0.25 0.078758 ] [ 0.675743 0.75 0.407149 ] [ 0.324257 0.25 0.592851 ] [ 0.05555 0.75 0.815031 ] [ 0.94445 0.25 0.184969 ] [ 0.529104 0.25 0.401942 ] [ 0.470896 0.75 0.598058 ] [ 0.511356 0.25 0.857195 ] [ 0.488644 0.75 0.142805 ] ] } "species" { "source-value" [ "Ca" "Ca" "Bi" "Bi" "Cl" "Cl" "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" 6.51339760696 "source-unit" "angstrom" } "b" { "source-value" 4.17146236 "source-unit" "angstrom" } "c" { "source-value" 7.82548682102 "source-unit" "angstrom" } "beta" { "source-value" 104.784545852 "source-unit" "degree" } }