{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.941307 0.75 0.602349 ] [ 0.558693 0.75 0.102349 ] [ 0.441307 0.25 0.897651 ] [ 0.058693 0.25 0.397651 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.97808 0.25 0.720734 ] [ 0.52192 0.25 0.220734 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.47808 0.75 0.779266 ] [ 0.02192 0.75 0.279266 ] [ 0.784835 0.75 0.435906 ] [ 0.730035 0.98732 0.670812 ] [ 0.730035 0.51268 0.670812 ] [ 0.703335 0.25 0.395049 ] [ 0.796665 0.25 0.895049 ] [ 0.769965 0.98732 0.170812 ] [ 0.769965 0.51268 0.170812 ] [ 0.715165 0.75 0.935906 ] [ 0.284835 0.25 0.064094 ] [ 0.230035 0.01268 0.829188 ] [ 0.230035 0.48732 0.829188 ] [ 0.203335 0.75 0.104951 ] [ 0.296665 0.75 0.604951 ] [ 0.269965 0.01268 0.329188 ] [ 0.269965 0.48732 0.329188 ] [ 0.215165 0.25 0.564094 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "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" 5.16634182 "source-unit" "angstrom" } "b" { "source-value" 6.10381824 "source-unit" "angstrom" } "c" { "source-value" 10.86671347 "source-unit" "angstrom" } }