{ "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" [ [ 0.276443 0.276443 0.5 ] [ 0 0.723557 0.5 ] [ 0.723557 0 0.5 ] [ 0 0.389524 0 ] [ 0.389524 0 0 ] [ 0.610476 0.610476 0 ] [ 0 0 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.691163 0.208625 0 ] [ 0.517462 0.308837 0 ] [ 0.791375 0.482538 0 ] [ 0.208625 0.691163 0 ] [ 0.308837 0.517462 0 ] [ 0.482538 0.791375 0 ] [ 0 0.13822 0 ] [ 0.13822 0 0 ] [ 0.86178 0.86178 0 ] [ 0 0.388696 0.5 ] [ 0.388696 0 0.5 ] [ 0.611304 0.611304 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Ca" "Ca" "Ca" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.39108689 "source-unit" "angstrom" } "c" { "source-value" 4.60276179 "source-unit" "angstrom" } }