{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.778332 0.556664 0 ] [ 0.443336 0.221668 0 ] [ 0.778332 0.221668 0 ] [ 0.167176 0.334351 0 ] [ 0.491649 0.508351 0.5 ] [ 0.016703 0.508351 0.5 ] [ 0.491649 0.983297 0.5 ] [ 0.333333 0.666667 0 ] [ 0.167176 0.832824 0 ] [ 0.665649 0.832824 0 ] [ 0 0 0.5 ] [ 0.491375 0.508625 0 ] [ 0.491375 0.982749 0 ] [ 0.017251 0.508625 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Br" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.441138751 "source-unit" "angstrom" } "c" { "source-value" 3.87810144 "source-unit" "angstrom" } }