{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4n2" } "basis-atom-coordinates" { "source-value" [ [ 0.204927 0.45194 0.94868 ] [ 0.04806 0.295073 0.55132 ] [ 0.95194 0.704927 0.55132 ] [ 0.45194 0.795073 0.05132 ] [ 0.795073 0.54806 0.94868 ] [ 0.704927 0.04806 0.44868 ] [ 0.295073 0.95194 0.44868 ] [ 0.54806 0.204927 0.05132 ] [ 0.158511 0.816906 0.580775 ] [ 0.341489 0.316906 0.080775 ] [ 0.658511 0.683094 0.080775 ] [ 0 0.5 0.051247 ] [ 0.157992 0.342008 0.75 ] [ 0.5 0 0.948754 ] [ 0.683094 0.341489 0.919225 ] [ 0.316906 0.658511 0.919225 ] [ 0 0.5 0.448754 ] [ 0.841489 0.183094 0.580775 ] [ 0.5 0 0.551246 ] [ 0.183094 0.158511 0.419225 ] [ 0.816906 0.841489 0.419225 ] [ 0.657992 0.157992 0.25 ] [ 0.342008 0.842008 0.25 ] [ 0.842008 0.657992 0.75 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 6.92249944 "source-unit" "angstrom" } "c" { "source-value" 7.13624292 "source-unit" "angstrom" } }