{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.686481 0.186481 0.313519 ] [ 0.319265 0.319265 0.319265 ] [ 0.680735 0.819265 0.180735 ] [ 0.313519 0.686481 0.186481 ] [ 0.813519 0.813519 0.813519 ] [ 0.186481 0.313519 0.686481 ] [ 0.180735 0.680735 0.819265 ] [ 0.819265 0.180735 0.680735 ] [ 0.428235 0.071765 0.928235 ] [ 0.571765 0.571765 0.571765 ] [ 0.928235 0.428235 0.071765 ] [ 0.071765 0.928235 0.428235 ] [ 0.4681 0.9681 0.5319 ] [ 0.5319 0.4681 0.9681 ] [ 0.0319 0.0319 0.0319 ] [ 0.9681 0.5319 0.4681 ] [ 0.50276 0.72317 0.894248 ] [ 0.105752 0.00276 0.77683 ] [ 0.605752 0.49724 0.22317 ] [ 0.49724 0.22317 0.605752 ] [ 0.894248 0.50276 0.72317 ] [ 0.00276 0.77683 0.105752 ] [ 0.394248 0.99724 0.27683 ] [ 0.99724 0.27683 0.394248 ] [ 0.77683 0.105752 0.00276 ] [ 0.27683 0.394248 0.99724 ] [ 0.22317 0.605752 0.49724 ] [ 0.72317 0.894248 0.50276 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Rb" "Rb" "Rb" "Rb" "Bi" "Bi" "Bi" "Bi" "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" 10.09220956 "source-unit" "angstrom" } }