{ "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" [ [ 0.338443 0.962582 0.695134 ] [ 0.661557 0.462582 0.804866 ] [ 0.338443 0.537418 0.195134 ] [ 0.661557 0.037418 0.304866 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.163307 0.892443 0.305549 ] [ 0.640956 0.696129 0.50081 ] [ 0.163307 0.607557 0.805549 ] [ 0.640956 0.803871 0.00081 ] [ 0.359044 0.196129 0.99919 ] [ 0.836693 0.392443 0.194451 ] [ 0.359044 0.303871 0.49919 ] [ 0.836693 0.107557 0.694451 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Cu" "Cu" "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" 4.67141988 "source-unit" "angstrom" } "b" { "source-value" 5.83429203 "source-unit" "angstrom" } "c" { "source-value" 6.04076373 "source-unit" "angstrom" } "beta" { "source-value" 103.00585834 "source-unit" "degree" } }