{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.439528 ] [ 0 0.5 0.854524 ] [ 0.5 0 0.560472 ] [ 0.5 0 0.145476 ] [ 0 0.5 0.044841 ] [ 0 0.5 0.244159 ] [ 0 0.5 0.664121 ] [ 0.5 0 0.755841 ] [ 0.5 0 0.955159 ] [ 0.5 0 0.335879 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.14655342501 "source-unit" "angstrom" } "c" { "source-value" 13.9827081 "source-unit" "angstrom" } }