{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.801037 0.869876 0.077382 ] [ 0.19508 0.11973 0.166048 ] [ 0.69508 0.61973 0.333952 ] [ 0.301037 0.369876 0.422618 ] [ 0.698963 0.869876 0.577382 ] [ 0.30492 0.11973 0.666048 ] [ 0.80492 0.61973 0.833952 ] [ 0.198963 0.369876 0.922618 ] [ 0.203838 0.616549 0.168274 ] [ 0.703838 0.116549 0.331726 ] [ 0.296162 0.616549 0.668274 ] [ 0.796162 0.116549 0.831726 ] [ 0.690091 0.367324 0.085429 ] [ 0.190091 0.867324 0.414571 ] [ 0.809909 0.367324 0.585429 ] [ 0.309909 0.867324 0.914571 ] [ 0.203639 0.866909 0.05887 ] [ 0.361043 0.366239 0.087067 ] [ 0.797096 0.581618 0.157619 ] [ 0.797232 0.153457 0.156868 ] [ 0.297232 0.653457 0.343132 ] [ 0.297096 0.081618 0.342381 ] [ 0.861043 0.866239 0.412933 ] [ 0.703639 0.366909 0.44113 ] [ 0.296361 0.866909 0.55887 ] [ 0.138957 0.366239 0.587067 ] [ 0.702904 0.581618 0.657619 ] [ 0.702768 0.153457 0.656868 ] [ 0.202768 0.653457 0.843132 ] [ 0.202904 0.081618 0.842381 ] [ 0.638957 0.866239 0.912933 ] [ 0.796361 0.366909 0.94113 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 5.0129703 "source-unit" "angstrom" } "b" { "source-value" 6.33903933 "source-unit" "angstrom" } "c" { "source-value" 10.81931368 "source-unit" "angstrom" } }