{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.25 ] [ 0.25 0.272557 0.5 ] [ 0 0 0.750388 ] [ 0.5 0 0.750388 ] [ 0.25 0.227443 0 ] [ 0.75 0.242073 0.5 ] [ 0.5 0.5 0.749612 ] [ 0 0.5 0.749612 ] [ 0.75 0.257927 0 ] [ 0.75 0.772557 0 ] [ 0.5 0.5 0.250388 ] [ 0 0.5 0.250388 ] [ 0.75 0.727443 0.5 ] [ 0.25 0.742073 0 ] [ 0 0 0.249612 ] [ 0.5 0 0.249612 ] [ 0.25 0.757927 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "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" 5.84759157 "source-unit" "angstrom" } "b" { "source-value" 5.88208368 "source-unit" "angstrom" } "c" { "source-value" 8.39379578 "source-unit" "angstrom" } }