{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.624042 ] [ 0 0.5 0.375958 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.714364 0.026675 0.140581 ] [ 0.959719 0.829894 0.604468 ] [ 0.526675 0.785636 0.140581 ] [ 0.170106 0.959719 0.395532 ] [ 0.829894 0.040281 0.395532 ] [ 0.473325 0.214364 0.140581 ] [ 0.040281 0.170106 0.604468 ] [ 0.285636 0.973325 0.140581 ] [ 0.214364 0.526675 0.859419 ] [ 0.459719 0.329894 0.395532 ] [ 0.026675 0.285636 0.859419 ] [ 0.670106 0.459719 0.604468 ] [ 0.329894 0.540281 0.604468 ] [ 0.973325 0.714364 0.859419 ] [ 0.540281 0.670106 0.395532 ] [ 0.785636 0.473325 0.859419 ] [ 0.972082 0.183746 0.773127 ] [ 0.816254 0.972082 0.226873 ] [ 0.183746 0.027918 0.226873 ] [ 0.027918 0.816254 0.773127 ] [ 0.472082 0.683746 0.226873 ] [ 0.316254 0.472082 0.773127 ] [ 0.683746 0.527918 0.773127 ] [ 0.527918 0.316254 0.226873 ] ] } "species" { "source-value" [ "Rb" "Rb" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.97923343 "source-unit" "angstrom" } "c" { "source-value" 5.13409511 "source-unit" "angstrom" } }