{ "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 0 0.99997 ] [ 0 0 0.49997 ] [ 0.333333 0.666667 0.777026 ] [ 0.666667 0.333333 0.277026 ] [ 0.333333 0.666667 0.245004 ] [ 0.666667 0.333333 0.745004 ] ] } "species" { "source-value" [ "Ti" "Ti" "Cu" "Cu" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.4177667684 "source-unit" "angstrom" } "c" { "source-value" 6.03812047 "source-unit" "angstrom" } }