{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.290999 ] [ 0.666667 0.333333 0.709001 ] [ 0 0 0.871323 ] [ 0 0 0.128677 ] [ 0.666667 0.333333 0.466371 ] [ 0.333333 0.666667 0.533629 ] [ 0.333333 0.666667 0.060666 ] [ 0.666667 0.333333 0.939334 ] [ 0 0 0.639889 ] [ 0 0 0.360111 ] [ 0.666667 0.333333 0.21033 ] [ 0.333333 0.666667 0.78967 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.48094930136 "source-unit" "angstrom" } "c" { "source-value" 24.95749972 "source-unit" "angstrom" } }