{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.147023 0.25 ] [ 0 0.852977 0.75 ] [ 0.5 0.647023 0.25 ] [ 0.5 0.352977 0.75 ] [ 0.5 0.076732 0.75 ] [ 0.5 0.923268 0.25 ] [ 0 0.576732 0.75 ] [ 0 0.423268 0.25 ] [ 0.283407 0.911024 0.442289 ] [ 0.283407 0.088976 0.942289 ] [ 0.716593 0.088976 0.557711 ] [ 0.716593 0.911024 0.057711 ] [ 0 0.807153 0.25 ] [ 0 0.192847 0.75 ] [ 0.783407 0.411024 0.442289 ] [ 0.783407 0.588976 0.942289 ] [ 0.216593 0.588976 0.557711 ] [ 0.216593 0.411024 0.057711 ] [ 0.5 0.307153 0.25 ] [ 0.5 0.692847 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.70624081422 "source-unit" "angstrom" } "b" { "source-value" 14.0628627621 "source-unit" "angstrom" } "c" { "source-value" 7.79786296261 "source-unit" "angstrom" } "beta" { "source-value" 111.701282466 "source-unit" "degree" } }