{ "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" [ [ 0.192563 0.5 0.164446 ] [ 0.807437 0.5 0.835554 ] [ 0.692563 0 0.164446 ] [ 0.307437 0 0.835554 ] [ 0.034756 0 0.799167 ] [ 0.965244 0 0.200833 ] [ 0.534756 0.5 0.799167 ] [ 0.465244 0.5 0.200833 ] [ 0.82121 0.5 0.43446 ] [ 0.17879 0.5 0.56554 ] [ 0.32121 0 0.43446 ] [ 0.67879 0 0.56554 ] [ 0.045549 0.5 0.836875 ] [ 0.954451 0.5 0.163125 ] [ 0.081232 0 0.153139 ] [ 0 0 0.5 ] [ 0.174831 0 0.930982 ] [ 0.918768 0 0.846861 ] [ 0.825169 0 0.069018 ] [ 0.545549 0 0.836875 ] [ 0.454451 0 0.163125 ] [ 0.581232 0.5 0.153139 ] [ 0.5 0.5 0.5 ] [ 0.674831 0.5 0.930982 ] [ 0.418768 0.5 0.846861 ] [ 0.325169 0.5 0.069018 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Ta" "Ta" "Ta" "Ta" "Cl" "Cl" "Cl" "Cl" "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" 15.5606193361 "source-unit" "angstrom" } "b" { "source-value" 3.95485100912 "source-unit" "angstrom" } "c" { "source-value" 6.9533718986 "source-unit" "angstrom" } "beta" { "source-value" 113.811978776 "source-unit" "degree" } }