{ "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" [ [ 0.257273 0.178845 0.978855 ] [ 0.242727 0.678845 0.521145 ] [ 0.742727 0.821155 0.021145 ] [ 0.757273 0.321155 0.478855 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.024673 0.04071 0.376812 ] [ 0.475327 0.54071 0.123188 ] [ 0.975327 0.95929 0.623188 ] [ 0.524673 0.45929 0.876812 ] [ 0.209216 0.177769 0.451791 ] [ 0.290784 0.677769 0.048209 ] [ 0.790784 0.822231 0.548209 ] [ 0.709216 0.322231 0.951791 ] [ 0.191753 0.930798 0.238477 ] [ 0.308247 0.430798 0.261523 ] [ 0.808247 0.069202 0.761523 ] [ 0.691753 0.569202 0.738477 ] [ 0.220033 0.426443 0.750156 ] [ 0.279967 0.926443 0.749844 ] [ 0.779967 0.573557 0.249844 ] [ 0.720033 0.073557 0.250156 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.76315391425 "source-unit" "angstrom" } "b" { "source-value" 12.94495541 "source-unit" "angstrom" } "c" { "source-value" 8.00477747811 "source-unit" "angstrom" } "beta" { "source-value" 98.0868676749 "source-unit" "degree" } }