{ "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" [ [ 0.666667 0.333333 0.799826 ] [ 0.333333 0.666667 0.200174 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.251845 ] [ 0.333333 0.666667 0.748155 ] [ 0.824365 0.175635 0.174088 ] [ 0.824365 0.648731 0.174088 ] [ 0.351269 0.175635 0.174088 ] [ 0.648731 0.824365 0.825912 ] [ 0.175635 0.351269 0.825912 ] [ 0.175635 0.824365 0.825912 ] [ 0.333333 0.666667 0.533534 ] [ 0.666667 0.333333 0.466466 ] ] } "species" { "source-value" [ "K" "K" "Rb" "Gd" "V" "V" "O" "O" "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" 6.06874358529 "source-unit" "angstrom" } "c" { "source-value" 7.85268632 "source-unit" "angstrom" } }