{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.328109 ] [ 0 0 0.671891 ] [ 0 0 0 ] [ 0.333333 0.666667 0.318627 ] [ 0.5 0.5 0.866596 ] [ 0 0.5 0.866596 ] [ 0 0.5 0.5 ] [ 0.333333 0.666667 0.681373 ] [ 0 0.5 0.133404 ] [ 0.5 0 0.133404 ] [ 0.666667 0.333333 0.318627 ] [ 0.5 0.5 0.133404 ] [ 0.666667 0.333333 0.681373 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.866596 ] [ 0.5 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.93965368036 "source-unit" "angstrom" } "c" { "source-value" 10.89518877 "source-unit" "angstrom" } }