{ "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" [ [ 0.844628 0.34725 0.089027 ] [ 0.844628 0.15275 0.589027 ] [ 0.155372 0.65275 0.910973 ] [ 0.155372 0.84725 0.410973 ] [ 0.339676 0.123606 0.079536 ] [ 0.339676 0.376394 0.579536 ] [ 0.660324 0.876394 0.920464 ] [ 0.660324 0.623606 0.420464 ] [ 0 0.5 0.5 ] [ 0.63213 0.599616 0.736905 ] [ 0.36787 0.099616 0.763095 ] [ 0.36787 0.400384 0.263095 ] [ 0 0 0 ] [ 0.63213 0.900384 0.236905 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cd" "Cd" "Cd" "Cd" "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" 6.57101782 "source-unit" "angstrom" } "b" { "source-value" 6.72235629 "source-unit" "angstrom" } "c" { "source-value" 6.89927085 "source-unit" "angstrom" } "beta" { "source-value" 118.18062903 "source-unit" "degree" } }