{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0.810839 0.697023 0 ] [ 0 0.189161 0.697023 ] [ 0.189161 0.697023 0 ] [ 0 0.189161 0.302977 ] [ 0 0.810839 0.697023 ] [ 0.302977 0 0.189161 ] [ 0.810839 0.302977 0 ] [ 0.697023 0 0.189161 ] [ 0.302977 0 0.810839 ] [ 0 0.810839 0.302977 ] [ 0.697023 0 0.810839 ] [ 0.189161 0.302977 0 ] [ 0.310839 0.197023 0.5 ] [ 0.5 0.689161 0.197023 ] [ 0.689161 0.197023 0.5 ] [ 0.5 0.689161 0.802977 ] [ 0.5 0.310839 0.197023 ] [ 0.802977 0.5 0.689161 ] [ 0.310839 0.802977 0.5 ] [ 0.197023 0.5 0.689161 ] [ 0.802977 0.5 0.310839 ] [ 0.5 0.310839 0.802977 ] [ 0.197023 0.5 0.310839 ] [ 0.689161 0.802977 0.5 ] [ 0.122012 0 0.5 ] [ 0.5 0.122012 0 ] [ 0 0.377988 0.5 ] [ 0.377988 0.5 0 ] [ 0 0.5 0.122012 ] [ 0.5 0 0.377988 ] [ 0.622012 0.5 0 ] [ 0 0.622012 0.5 ] [ 0.5 0.877988 0 ] [ 0.877988 0 0.5 ] [ 0.5 0 0.622012 ] [ 0 0.5 0.877988 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.79690620877 "source-unit" "angstrom" } }