{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.310468 0 0 ] [ 0.689532 0.689532 0 ] [ 0 0.310468 0 ] [ 0.644014 0 0.5 ] [ 0.355986 0.355986 0.5 ] [ 0 0.644014 0.5 ] [ 0 0 0.301771 ] [ 0 0 0.698229 ] [ 0.333333 0.666667 0.199757 ] [ 0.333333 0.666667 0.800243 ] [ 0.666667 0.333333 0.800243 ] [ 0.666667 0.333333 0.199757 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68499090119 "source-unit" "angstrom" } "c" { "source-value" 5.39098243 "source-unit" "angstrom" } }