{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.677536 ] [ 0.666667 0.333333 0.322464 ] [ 0 0 0 ] [ 0 0 0.150228 ] [ 0 0 0.849772 ] [ 0.333333 0.666667 0.396493 ] [ 0.666667 0.333333 0.603507 ] ] } "species" { "source-value" [ "Y" "Y" "C" "N" "N" "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" 3.74459887717 "source-unit" "angstrom" } "c" { "source-value" 8.22846809 "source-unit" "angstrom" } }