{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.85815 ] [ 0 0 0.14185 ] [ 0.666667 0.333333 0.191484 ] [ 0.666667 0.333333 0.475183 ] [ 0.333333 0.666667 0.524817 ] [ 0.333333 0.666667 0.808516 ] [ 0.666667 0.333333 0.976749 ] [ 0.333333 0.666667 0.023251 ] [ 0.333333 0.666667 0.310082 ] [ 0 0 0.356585 ] [ 0 0 0.643415 ] [ 0.666667 0.333333 0.689918 ] [ 0.627323 0.929026 0.916832 ] [ 0.698297 0.627323 0.083168 ] [ 0.929026 0.301703 0.083168 ] [ 0.070974 0.698297 0.916832 ] [ 0.301703 0.372677 0.916832 ] [ 0.372677 0.070974 0.083168 ] [ 0.29399 0.262359 0.250165 ] [ 0.364964 0.960657 0.416502 ] [ 0.595693 0.635036 0.416502 ] [ 0.737641 0.031631 0.250165 ] [ 0.968369 0.70601 0.250165 ] [ 0.039343 0.404307 0.416502 ] [ 0.960657 0.595693 0.583498 ] [ 0.031631 0.29399 0.749835 ] [ 0.262359 0.968369 0.749835 ] [ 0.404307 0.364964 0.583498 ] [ 0.635036 0.039343 0.583498 ] [ 0.70601 0.737641 0.749835 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.98943423 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }