{ "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" [ [ 0.828699 0 0.668258 ] [ 0.171301 0 0.331742 ] [ 0 0.5 0 ] [ 0.328699 0.5 0.668258 ] [ 0.671301 0.5 0.331742 ] [ 0.5 0 0 ] [ 0.953388 0.5 0.550962 ] [ 0.046612 0.5 0.449038 ] [ 0.453388 0 0.550962 ] [ 0.546612 0 0.449038 ] [ 0.832134 0.68231 0.435924 ] [ 0.167866 0.31769 0.564076 ] [ 0.832134 0.31769 0.435924 ] [ 0 0 0 ] [ 0.167866 0.68231 0.564076 ] [ 0.970575 0 0.641518 ] [ 0.029425 0 0.358482 ] [ 0.332134 0.18231 0.435924 ] [ 0.667866 0.81769 0.564076 ] [ 0.332134 0.81769 0.435924 ] [ 0.5 0.5 0 ] [ 0.667866 0.18231 0.564076 ] [ 0.470575 0.5 0.641518 ] [ 0.529425 0.5 0.358482 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 15.66798239 "source-unit" "angstrom" } "b" { "source-value" 4.11642683 "source-unit" "angstrom" } "c" { "source-value" 9.33371328 "source-unit" "angstrom" } "beta" { "source-value" 108.2909301 "source-unit" "degree" } }