{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.790681 0.5 0.814737 ] [ 0.209319 0.5 0.185263 ] [ 0.290681 0 0.814737 ] [ 0.709319 0 0.185263 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.062352 0 0.26448 ] [ 0.937648 0 0.73552 ] [ 0.562352 0.5 0.26448 ] [ 0.437648 0.5 0.73552 ] [ 0.231302 0 0.338713 ] [ 0.024425 0.231014 0.768281 ] [ 0.975575 0.231014 0.231719 ] [ 0.975575 0.768986 0.231719 ] [ 0.024425 0.768986 0.768281 ] [ 0.768698 0 0.661287 ] [ 0.731302 0.5 0.338713 ] [ 0.524425 0.731014 0.768281 ] [ 0.475575 0.731014 0.231719 ] [ 0.475575 0.268986 0.231719 ] [ 0.524425 0.268986 0.768281 ] [ 0.268698 0.5 0.661287 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mg" "Mg" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.1302809393 "source-unit" "angstrom" } "b" { "source-value" 5.19387618 "source-unit" "angstrom" } "c" { "source-value" 6.19854031897 "source-unit" "angstrom" } "beta" { "source-value" 118.73798371 "source-unit" "degree" } }