{ "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" [ [ 0.333333 0.666667 0.136471 ] [ 0.666667 0.333333 0.636471 ] [ 0.666667 0.333333 0.261304 ] [ 0.333333 0.666667 0.761304 ] [ 0 0 0.020324 ] [ 0 0 0.520324 ] ] } "species" { "source-value" [ "Bi" "Bi" "Te" "Te" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.30299266179 "source-unit" "angstrom" } "c" { "source-value" 14.14164476 "source-unit" "angstrom" } }