{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.128072 0.75 ] [ 0.5 0.871928 0.25 ] [ 0 0.628072 0.75 ] [ 0 0.371928 0.25 ] [ 0 0.10864 0.75 ] [ 0 0.89136 0.25 ] [ 0.5 0.60864 0.75 ] [ 0.5 0.39136 0.25 ] [ 0.838337 0.210856 0.840191 ] [ 0.161663 0.210856 0.659809 ] [ 0.161663 0.789144 0.159809 ] [ 0.838337 0.789144 0.340191 ] [ 0.749128 0.967502 0.794982 ] [ 0.250872 0.967502 0.705018 ] [ 0.250872 0.032498 0.205018 ] [ 0.749128 0.032498 0.294982 ] [ 0.338337 0.710856 0.840191 ] [ 0.661663 0.710856 0.659809 ] [ 0.661663 0.289144 0.159809 ] [ 0.338337 0.289144 0.340191 ] [ 0.249128 0.467502 0.794982 ] [ 0.750872 0.467502 0.705018 ] [ 0.750872 0.532498 0.205018 ] [ 0.249128 0.532498 0.294982 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Nb" "Nb" "Nb" "Nb" "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" 7.13777085825 "source-unit" "angstrom" } "b" { "source-value" 11.0745521163 "source-unit" "angstrom" } "c" { "source-value" 5.13885108059 "source-unit" "angstrom" } "beta" { "source-value" 131.974184887 "source-unit" "degree" } }