{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.17089 0.816906 ] [ 0.75 0.32911 0.316906 ] [ 0.25 0.82911 0.183094 ] [ 0.25 0.67089 0.683094 ] [ 0.75 0.818007 0.437296 ] [ 0.75 0.681993 0.937296 ] [ 0.25 0.181993 0.562704 ] [ 0.25 0.318007 0.062704 ] [ 0.75 0.583536 0.092139 ] [ 0.034866 0.196934 0.074391 ] [ 0.534866 0.803066 0.925609 ] [ 0.25 0.416464 0.907861 ] [ 0.465134 0.196934 0.074391 ] [ 0.034866 0.303066 0.574391 ] [ 0.75 0.546377 0.803034 ] [ 0.25 0.046377 0.696966 ] [ 0.965134 0.696934 0.425609 ] [ 0.25 0.083536 0.407861 ] [ 0.75 0.916464 0.592139 ] [ 0.465134 0.303066 0.574391 ] [ 0.75 0.953623 0.303034 ] [ 0.25 0.453623 0.196966 ] [ 0.965134 0.803066 0.925609 ] [ 0.534866 0.696934 0.425609 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cl" "Cl" "Cl" "Cl" "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" 5.55639575 "source-unit" "angstrom" } "b" { "source-value" 7.03503534 "source-unit" "angstrom" } "c" { "source-value" 8.22487416 "source-unit" "angstrom" } }