{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.500579 ] [ 0.333333 0.666667 0.000579 ] [ 0 0 0.666131 ] [ 0 0 0.166131 ] [ 0.666667 0.333333 0.817277 ] [ 0.333333 0.666667 0.317277 ] [ 0 0 0.567812 ] [ 0 0 0.067812 ] ] } "species" { "source-value" [ "Ca" "Ca" "H" "H" "Cl" "Cl" "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" 3.89809820194 "source-unit" "angstrom" } "c" { "source-value" 9.89350008 "source-unit" "angstrom" } }