{ "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 0.643266 0.5 ] [ 0.356734 0.356734 0.5 ] [ 0.643266 0 0.5 ] [ 0 0.308786 0 ] [ 0.691214 0.691214 0 ] [ 0.308786 0 0 ] [ 0.666667 0.333333 0.201667 ] [ 0.666667 0.333333 0.798333 ] [ 0.333333 0.666667 0.798333 ] [ 0.333333 0.666667 0.201667 ] [ 0 0 0.696735 ] [ 0 0 0.303265 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66208255376 "source-unit" "angstrom" } "c" { "source-value" 5.7213727 "source-unit" "angstrom" } }