{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.041074 ] [ 0.333333 0.666667 0.458926 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.958926 ] [ 0.666667 0.333333 0.541074 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.365263 0.04788 0.129197 ] [ 0.95212 0.317384 0.129197 ] [ 0.682616 0.634737 0.129197 ] [ 0.634737 0.682616 0.629197 ] [ 0.317384 0.95212 0.629197 ] [ 0.634737 0.95212 0.870803 ] [ 0.317384 0.365263 0.870803 ] [ 0.04788 0.682616 0.870803 ] [ 0.365263 0.317384 0.370803 ] [ 0.95212 0.634737 0.370803 ] [ 0.04788 0.365263 0.629197 ] [ 0.682616 0.04788 0.370803 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "In" "In" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.00569442049 "source-unit" "angstrom" } "c" { "source-value" 12.59734832 "source-unit" "angstrom" } }