{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.17578 0.815968 0.25 ] [ 0.17578 0.184032 0.25 ] [ 0 0.329302 0 ] [ 0 0.329302 0.5 ] [ 0 0.670698 0 ] [ 0.82422 0.184032 0.75 ] [ 0 0.670698 0.5 ] [ 0.82422 0.815968 0.75 ] [ 0.67578 0.315968 0.25 ] [ 0.67578 0.684032 0.25 ] [ 0.5 0.829302 0 ] [ 0.5 0.829302 0.5 ] [ 0.5 0.170698 0 ] [ 0.32422 0.684032 0.75 ] [ 0.5 0.170698 0.5 ] [ 0.32422 0.315968 0.75 ] [ 0.730354 0 0.25 ] [ 0.269646 0 0.75 ] [ 0.230354 0.5 0.25 ] [ 0.769646 0.5 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.152649 0.139137 0.617646 ] [ 0.152649 0.860863 0.882354 ] [ 0.847351 0.139137 0.382354 ] [ 0.847351 0.139137 0.117646 ] [ 0.430196 0 0.25 ] [ 0.569804 0 0.75 ] [ 0.847351 0.860863 0.382354 ] [ 0.152649 0.860863 0.617646 ] [ 0.847351 0.860863 0.117646 ] [ 0.152649 0.139137 0.882354 ] [ 0.652649 0.639137 0.617646 ] [ 0.652649 0.360863 0.882354 ] [ 0.347351 0.639137 0.382354 ] [ 0.347351 0.639137 0.117646 ] [ 0.930196 0.5 0.25 ] [ 0.069804 0.5 0.75 ] [ 0.347351 0.360863 0.382354 ] [ 0.652649 0.360863 0.617646 ] [ 0.347351 0.360863 0.117646 ] [ 0.652649 0.639137 0.882354 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "Au" "Au" "Au" "Au" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.8593330893 "source-unit" "angstrom" } "b" { "source-value" 9.60311820869 "source-unit" "angstrom" } "c" { "source-value" 10.62063283 "source-unit" "angstrom" } }