{ "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 0.026033 ] [ 0.666667 0.333333 0.973967 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.667296 ] [ 0.666667 0.333333 0.332704 ] [ 0.171246 0.828754 0.219634 ] [ 0.171246 0.342492 0.219634 ] [ 0.342492 0.171246 0.780366 ] [ 0.657508 0.828754 0.219634 ] [ 0.828754 0.657508 0.780366 ] [ 0.828754 0.171246 0.780366 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "Co" "Co" "O" "O" "F" "F" "F" "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" 5.98628331 "source-unit" "angstrom" } "c" { "source-value" 5.16427811 "source-unit" "angstrom" } }