{ "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 0.618547 0.25 ] [ 0.381453 0.381453 0.25 ] [ 0.381453 0 0.75 ] [ 0.618547 0.618547 0.75 ] [ 0.618547 0 0.25 ] [ 0 0.381453 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.260266 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.260266 0.260266 0.75 ] [ 0.739734 0 0.75 ] [ 0 0.739734 0.75 ] [ 0.739734 0.739734 0.25 ] [ 0.260266 0 0.25 ] [ 0.666667 0.333333 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Sc" "Sc" "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" 9.86630662584 "source-unit" "angstrom" } "c" { "source-value" 6.61683034 "source-unit" "angstrom" } }