{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.145056 0.336435 0.259044 ] [ 0.854944 0.336435 0.759044 ] [ 0.854944 0.663565 0.759044 ] [ 0.145056 0.663565 0.259044 ] [ 0.645056 0.836435 0.259044 ] [ 0.354944 0.836435 0.759044 ] [ 0.354944 0.163565 0.759044 ] [ 0.645056 0.163565 0.259044 ] [ 0.906656 0 0.738537 ] [ 0.093344 0 0.238537 ] [ 0.406656 0.5 0.738537 ] [ 0.593344 0.5 0.238537 ] [ 0.636265 0 0.693373 ] [ 0.363735 0 0.193373 ] [ 0.986487 0.869929 0.995001 ] [ 0.013513 0.130071 0.495001 ] [ 0.986487 0.130071 0.995001 ] [ 0.013513 0.869929 0.495001 ] [ 0.136265 0.5 0.693373 ] [ 0.863735 0.5 0.193373 ] [ 0.486487 0.369929 0.995001 ] [ 0.513513 0.630071 0.495001 ] [ 0.486487 0.630071 0.995001 ] [ 0.513513 0.369929 0.495001 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "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" 7.55211365096 "source-unit" "angstrom" } "b" { "source-value" 11.0856627008 "source-unit" "angstrom" } "c" { "source-value" 6.14072952 "source-unit" "angstrom" } }