{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.533273 0.533273 0 ] [ 0 0.466727 0.666667 ] [ 0.466727 0 0.333333 ] [ 0.419774 0.270987 0.212591 ] [ 0.148787 0.729013 0.454076 ] [ 0.851213 0.580226 0.879258 ] [ 0.270987 0.419774 0.787409 ] [ 0.729013 0.148787 0.545924 ] [ 0.580226 0.851213 0.120742 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "O" "O" "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" 5.61627721947 "source-unit" "angstrom" } "c" { "source-value" 6.12682986 "source-unit" "angstrom" } }