{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.656527 0.956584 ] [ 0 0.343473 0.043416 ] [ 0 0.156527 0.543416 ] [ 0 0.843473 0.456584 ] [ 0.5 0.832075 0.91399 ] [ 0.5 0.167925 0.08601 ] [ 0.5 0.332075 0.58601 ] [ 0.5 0.667925 0.41399 ] [ 0.5 0.450407 0.873703 ] [ 0.5 0.549593 0.126297 ] [ 0.5 0.950407 0.626297 ] [ 0.5 0.049593 0.373703 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.903326 0.75252 ] [ 0 0.096674 0.24748 ] [ 0 0.403326 0.74748 ] [ 0 0.596674 0.25252 ] [ 0.743944 0.154841 0.819209 ] [ 0.743944 0.845159 0.180791 ] [ 0.256056 0.654841 0.680791 ] [ 0.256056 0.345159 0.319209 ] [ 0.256056 0.845159 0.180791 ] [ 0.256056 0.154841 0.819209 ] [ 0.743944 0.345159 0.319209 ] [ 0.743944 0.654841 0.680791 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.04096883 "source-unit" "angstrom" } "b" { "source-value" 9.93921739 "source-unit" "angstrom" } "c" { "source-value" 11.6900041 "source-unit" "angstrom" } }