{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.50524 ] [ 0.666667 0.333333 0.838573 ] [ 0.333333 0.666667 0.171907 ] [ 0 0 0.000782 ] [ 0.666667 0.333333 0.334116 ] [ 0.333333 0.666667 0.667449 ] [ 0 0 0.922202 ] [ 0.666667 0.333333 0.255536 ] [ 0.333333 0.666667 0.588869 ] [ 0 0 0.081775 ] [ 0.666667 0.333333 0.415109 ] [ 0.333333 0.666667 0.748442 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "C" "C" "C" "N" "N" "N" "O" "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" 3.67258885965 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }