{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.767948 0.25 ] [ 0 0.232052 0.75 ] [ 0.5 0.30802 0.25 ] [ 0.5 0.69198 0.75 ] [ 0.749973 0.08759 0.398679 ] [ 0.250027 0.08759 0.101321 ] [ 0.250027 0.91241 0.601321 ] [ 0.749973 0.91241 0.898679 ] [ 0.730163 0.565766 0.502963 ] [ 0.269837 0.565766 0.997037 ] [ 0.269837 0.434234 0.497037 ] [ 0.730163 0.434234 0.002963 ] ] } "species" { "source-value" [ "Y" "Y" "Ta" "Ta" "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" 5.16156270325 "source-unit" "angstrom" } "b" { "source-value" 5.54298502 "source-unit" "angstrom" } "c" { "source-value" 5.3507001148 "source-unit" "angstrom" } "beta" { "source-value" 96.522887721 "source-unit" "degree" } }