{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.5 0.482688 0.73724 ] [ 0.5 0.017312 0.73724 ] [ 0.221818 0.25 0.989783 ] [ 0.721818 0.25 0.510217 ] [ 0.778182 0.25 0.989783 ] [ 0.278182 0.25 0.510217 ] [ 0 0.482688 0.76276 ] [ 0 0.017312 0.76276 ] [ 0 0.982688 0.23724 ] [ 0 0.517312 0.23724 ] [ 0.721818 0.75 0.489783 ] [ 0.221818 0.75 0.010217 ] [ 0.278182 0.75 0.489783 ] [ 0.778182 0.75 0.010217 ] [ 0.5 0.982688 0.26276 ] [ 0.5 0.517312 0.26276 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 5.94241074 "source-unit" "angstrom" } "b" { "source-value" 5.99779547 "source-unit" "angstrom" } "c" { "source-value" 8.41499224 "source-unit" "angstrom" } }