{ "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" [ [ 0.503989 0.75 0.333253 ] [ 0.496011 0.25 0.666747 ] [ 0.614557 0.75 0.810308 ] [ 0.385443 0.25 0.189692 ] [ 0.805947 0.75 0.750929 ] [ 0.194053 0.25 0.249071 ] [ 0.07374 0.75 0.106818 ] [ 0.92626 0.25 0.893182 ] [ 0.876808 0.75 0.161276 ] [ 0.123192 0.25 0.838724 ] [ 0.240566 0.75 0.981726 ] [ 0.759434 0.25 0.018274 ] [ 0.43914 0.75 0.929423 ] [ 0.56086 0.25 0.070577 ] [ 0.301275 0.25 0.719617 ] [ 0.698725 0.75 0.280383 ] [ 0.816892 0.25 0.427225 ] [ 0.183108 0.75 0.572775 ] [ 0.663213 0.25 0.533788 ] [ 0.336787 0.75 0.466212 ] [ 0.013663 0.25 0.372913 ] [ 0.986337 0.75 0.627087 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.528020407 "source-unit" "angstrom" } "b" { "source-value" 4.48436917 "source-unit" "angstrom" } "c" { "source-value" 15.447900181 "source-unit" "angstrom" } "beta" { "source-value" 114.976432602 "source-unit" "degree" } }