{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.620637 0.620637 0.75 ] [ 0.379363 0 0.75 ] [ 0.620637 0 0.25 ] [ 0 0.379363 0.75 ] [ 0.379363 0.379363 0.25 ] [ 0 0.620637 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.254262 0 0.25 ] [ 0 0.254262 0.25 ] [ 0 0.745738 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.254262 0.254262 0.75 ] [ 0.666667 0.333333 0.5 ] [ 0.745738 0.745738 0.25 ] [ 0.745738 0 0.75 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Mn" "Mn" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.72923518736 "source-unit" "angstrom" } "c" { "source-value" 6.53015849 "source-unit" "angstrom" } }