{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.73248 ] [ 0 0 0.26752 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.441043 0.441043 0 ] [ 0.558957 0 0 ] [ 0 0.558957 0 ] [ 0.38608 0.38608 0.721086 ] [ 0.61392 0 0.721086 ] [ 0 0.61392 0.721086 ] [ 0.38608 0.38608 0.278914 ] [ 0.61392 0 0.278914 ] [ 0 0.61392 0.278914 ] [ 0.736923 0.736923 0.5 ] [ 0.263077 0 0.5 ] [ 0 0.263077 0.5 ] [ 0.769864 0.769864 0 ] [ 0.230136 0 0 ] [ 0 0.230136 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Mg" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.20014500907 "source-unit" "angstrom" } "c" { "source-value" 6.78021108 "source-unit" "angstrom" } }