{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.554076 0.849511 ] [ 0.25 0.054076 0.650489 ] [ 0.25 0.445924 0.150489 ] [ 0.75 0.945924 0.349511 ] [ 0.75 0.696704 0.101775 ] [ 0.25 0.196704 0.398225 ] [ 0.25 0.303296 0.898225 ] [ 0.75 0.803296 0.601775 ] [ 0.75 0.872032 0.965175 ] [ 0.25 0.372032 0.534825 ] [ 0.25 0.127968 0.034825 ] [ 0.75 0.627968 0.465175 ] [ 0.75 0.0929 0.552225 ] [ 0.25 0.5929 0.947775 ] [ 0.25 0.9071 0.447775 ] [ 0.75 0.4071 0.052225 ] [ 0.005736 0.244468 0.800134 ] [ 0.994264 0.744468 0.699866 ] [ 0.505736 0.755532 0.199866 ] [ 0.494264 0.255532 0.300134 ] [ 0.994264 0.755532 0.199866 ] [ 0.005736 0.255532 0.300134 ] [ 0.494264 0.244468 0.800134 ] [ 0.505736 0.744468 0.699866 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.39506479 "source-unit" "angstrom" } "b" { "source-value" 8.47068885 "source-unit" "angstrom" } "c" { "source-value" 15.16941469 "source-unit" "angstrom" } }