{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.302234 0.302234 0 ] [ 0.197766 0.802234 0.5 ] [ 0.802234 0.197766 0.5 ] [ 0.697766 0.697766 0 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0.77684 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.27684 ] [ 0.5 0.5 0.72316 ] [ 0 0 0.22316 ] [ 0.5 0 0.25 ] [ 0.709756 0.709756 0.5 ] [ 0.790244 0.209756 0 ] [ 0.209756 0.790244 0 ] [ 0.290244 0.290244 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.719657 0.280343 0.834839 ] [ 0.280343 0.719657 0.834839 ] [ 0.219657 0.219657 0.334839 ] [ 0.780343 0.780343 0.665161 ] [ 0.219657 0.219657 0.665161 ] [ 0.719657 0.280343 0.165161 ] [ 0.280343 0.719657 0.165161 ] [ 0.780343 0.780343 0.334839 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 6.53693107 "source-unit" "angstrom" } "c" { "source-value" 10.31212305 "source-unit" "angstrom" } }