{ "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 0 0 ] [ 0.333333 0.666667 0.620735 ] [ 0.666667 0.333333 0.379265 ] [ 0.333333 0.666667 0.248809 ] [ 0.666667 0.333333 0.751191 ] ] } "species" { "source-value" [ "Ca" "Mn" "Mn" "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" 4.62638157245 "source-unit" "angstrom" } "c" { "source-value" 7.72879155 "source-unit" "angstrom" } }