{ "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 0.704811 ] [ 0 0 0.093488 ] [ 0 0 0.295189 ] [ 0 0 0.5 ] [ 0 0 0.906512 ] [ 0.5 0.5 0.586543 ] [ 0.5 0.5 0.413457 ] [ 0.333333 0.666667 0.705722 ] [ 0.5 0 0.413457 ] [ 0 0.5 0.586543 ] [ 0.5 0.5 0.17439 ] [ 0.333333 0.666667 0.294278 ] [ 0.666667 0.333333 0.705722 ] [ 0.5 0.5 0.82561 ] [ 0.5 0 0.82561 ] [ 0.666667 0.333333 0.294278 ] [ 0 0.5 0.413457 ] [ 0.5 0 0.586543 ] [ 0.5 0 0.17439 ] [ 0 0.5 0.17439 ] [ 0.5 0 0 ] [ 0 0.5 0.82561 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.333333 0.666667 0.911646 ] [ 0.666667 0.333333 0.911646 ] [ 0.666667 0.333333 0.088354 ] [ 0.333333 0.666667 0.088354 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "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" 5.12156417501 "source-unit" "angstrom" } "c" { "source-value" 16.55490256 "source-unit" "angstrom" } }