{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0.080868 0.364363 0.929314 ] [ 0.864363 0.919132 0.179314 ] [ 0.135637 0.080868 0.179314 ] [ 0.919132 0.635637 0.929314 ] [ 0.919132 0.135637 0.820686 ] [ 0.135637 0.580868 0.570686 ] [ 0.864363 0.419132 0.570686 ] [ 0.080868 0.864363 0.820686 ] [ 0.580868 0.864363 0.429314 ] [ 0.364363 0.419132 0.679314 ] [ 0.635637 0.580868 0.679314 ] [ 0.419132 0.135637 0.429314 ] [ 0.419132 0.635637 0.320686 ] [ 0.635637 0.080868 0.070686 ] [ 0.364363 0.919132 0.070686 ] [ 0.580868 0.364363 0.320686 ] [ 0.11074 0.297259 0.469695 ] [ 0.297259 0.38926 0.219695 ] [ 0.202741 0.11074 0.719695 ] [ 0.38926 0.202741 0.969695 ] [ 0.88926 0.202741 0.280305 ] [ 0.702741 0.11074 0.530305 ] [ 0.797259 0.38926 0.030305 ] [ 0.61074 0.297259 0.780305 ] [ 0.61074 0.797259 0.969695 ] [ 0.797259 0.88926 0.719695 ] [ 0.702741 0.61074 0.219695 ] [ 0.88926 0.702741 0.469695 ] [ 0.38926 0.702741 0.780305 ] [ 0.202741 0.61074 0.030305 ] [ 0.297259 0.88926 0.530305 ] [ 0.11074 0.797259 0.280305 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.34455433 "source-unit" "angstrom" } "c" { "source-value" 5.74794274 "source-unit" "angstrom" } }