{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.30556 0.456326 0.700894 ] [ 0.69444 0.956326 0.799106 ] [ 0.69444 0.543674 0.299106 ] [ 0.30556 0.043674 0.200894 ] [ 0.929024 0.159878 0.454527 ] [ 0.070976 0.840122 0.545473 ] [ 0.929024 0.340122 0.954527 ] [ 0.070976 0.659878 0.045473 ] [ 0.576997 0.276161 0.997699 ] [ 0.576997 0.223839 0.497699 ] [ 0.423003 0.776161 0.502301 ] [ 0.423003 0.723839 0.002301 ] [ 0.098788 0.387941 0.280208 ] [ 0.901212 0.887941 0.219792 ] [ 0.901212 0.612059 0.719792 ] [ 0.098788 0.112059 0.780208 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "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" 6.68792834052 "source-unit" "angstrom" } "b" { "source-value" 7.4383256 "source-unit" "angstrom" } "c" { "source-value" 7.17178320945 "source-unit" "angstrom" } "beta" { "source-value" 96.310496096 "source-unit" "degree" } }