{ "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" [ [ 0.35422 0.086141 0.5 ] [ 0.586141 0.14578 0 ] [ 0.173373 0.173373 0 ] [ 0.673373 0.326627 0.5 ] [ 0.086141 0.35422 0.5 ] [ 0.85422 0.413859 0 ] [ 0.14578 0.586141 0 ] [ 0.913859 0.64578 0.5 ] [ 0.326627 0.673373 0.5 ] [ 0.826627 0.826627 0 ] [ 0.413859 0.85422 0 ] [ 0.64578 0.913859 0.5 ] [ 0.880648 0.119352 0.5 ] [ 0.380648 0.380648 0 ] [ 0.619352 0.619352 0 ] [ 0.119352 0.880648 0.5 ] [ 0.1055 0.1055 0.5 ] [ 0.670765 0.115711 0.5 ] [ 0.384289 0.170765 0 ] [ 0.884289 0.329235 0.5 ] [ 0.170765 0.384289 0 ] [ 0.6055 0.3945 0 ] [ 0.3945 0.6055 0 ] [ 0.829235 0.615711 0 ] [ 0.115711 0.670765 0.5 ] [ 0.615711 0.829235 0 ] [ 0.329235 0.884289 0.5 ] [ 0.8945 0.8945 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Zr" "Zr" "Zr" "Zr" "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" 9.64391588 "source-unit" "angstrom" } "c" { "source-value" 3.49961367 "source-unit" "angstrom" } }