{ "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" [ [ 0.244081 0 0.45964 ] [ 0.755919 0 0.54036 ] [ 0.744081 0.5 0.45964 ] [ 0.255919 0.5 0.54036 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0.819997 0 ] [ 0 0.180003 0 ] [ 0 0.677967 0.5 ] [ 0 0.322033 0.5 ] [ 0.243817 0 0.879366 ] [ 0.756183 0 0.120634 ] [ 0.5 0.319997 0 ] [ 0.5 0.680003 0 ] [ 0.5 0.177967 0.5 ] [ 0.5 0.822033 0.5 ] [ 0.743817 0.5 0.879366 ] [ 0.256183 0.5 0.120634 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Zr" "Zr" "Zr" "Zr" "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" 8.36586333 "source-unit" "angstrom" } "b" { "source-value" 8.23480673 "source-unit" "angstrom" } "c" { "source-value" 5.63646141 "source-unit" "angstrom" } "beta" { "source-value" 132.51357537 "source-unit" "degree" } }