{ "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" [ [ 0.333333 0.666667 0.760967 ] [ 0.666667 0.333333 0.260967 ] [ 0.333333 0.666667 0.500199 ] [ 0.666667 0.333333 0.000199 ] [ 0 0 0.38774 ] [ 0.333333 0.666667 0.110654 ] [ 0.666667 0.333333 0.610654 ] [ 0 0 0.88774 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "O" "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" 2.95145137 "source-unit" "angstrom" } "c" { "source-value" 9.89216865 "source-unit" "angstrom" } }