{ "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" [ [ 0.666667 0.333333 0.028258 ] [ 0 0 0.776336 ] [ 0 0 0.276336 ] [ 0.333333 0.666667 0.528258 ] [ 0.666667 0.333333 0.222551 ] [ 0 0 0.472856 ] [ 0 0 0.972856 ] [ 0.333333 0.666667 0.722551 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 3.39604878 "source-unit" "angstrom" } "c" { "source-value" 10.71766797 "source-unit" "angstrom" } }