{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.340001 0.5 0.459787 ] [ 0.659999 0.5 0.540213 ] [ 0.860236 0.5 0.201568 ] [ 0.139764 0.5 0.798432 ] [ 0.840001 0 0.459787 ] [ 0.159999 0 0.540213 ] [ 0.360236 0 0.201568 ] [ 0.639764 0 0.798432 ] [ 0.046414 0 0.161373 ] [ 0.953586 0 0.838627 ] [ 0.546414 0.5 0.161373 ] [ 0.453586 0.5 0.838627 ] [ 0.854058 0 0.058033 ] [ 0.145942 0 0.941967 ] [ 0.242366 0 0.278903 ] [ 0.757634 0 0.721097 ] [ 0.926607 0 0.346171 ] [ 0.073393 0 0.653829 ] [ 0.882214 0.5 0.610529 ] [ 0.117786 0.5 0.389471 ] [ 0.354058 0.5 0.058033 ] [ 0.645942 0.5 0.941967 ] [ 0.742366 0.5 0.278903 ] [ 0.257634 0.5 0.721097 ] [ 0.426607 0.5 0.346171 ] [ 0.573393 0.5 0.653829 ] [ 0.382214 0 0.610529 ] [ 0.617786 0 0.389471 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Hg" "Hg" "Hg" "Hg" "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" 14.0260942024 "source-unit" "angstrom" } "b" { "source-value" 3.84369114458 "source-unit" "angstrom" } "c" { "source-value" 12.4212622891 "source-unit" "angstrom" } "beta" { "source-value" 134.399436525 "source-unit" "degree" } }