{ "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 0.25 0.122287 ] [ 0 0.75 0.877713 ] [ 0.5 0.75 0.622287 ] [ 0.5 0.25 0.377713 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.030266 0.755021 ] [ 0.727297 0.25 0.9814 ] [ 0.272703 0.25 0.9814 ] [ 0.5 0.469734 0.755021 ] [ 0.5 0.530266 0.244979 ] [ 0.272703 0.75 0.0186 ] [ 0.727297 0.75 0.0186 ] [ 0.5 0.969734 0.244979 ] [ 0 0.530266 0.255021 ] [ 0.227297 0.75 0.4814 ] [ 0.772703 0.75 0.4814 ] [ 0 0.969734 0.255021 ] [ 0 0.030266 0.744979 ] [ 0.772703 0.25 0.5186 ] [ 0.227297 0.25 0.5186 ] [ 0 0.469734 0.744979 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "V" "V" "V" "V" "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" 5.93305996 "source-unit" "angstrom" } "b" { "source-value" 5.99990841 "source-unit" "angstrom" } "c" { "source-value" 8.60077805 "source-unit" "angstrom" } }