{ "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" [ [ 0.030188 0 0.807406 ] [ 0.129056 0.5 0.473994 ] [ 0.196023 0.5 0.131619 ] [ 0.803977 0.5 0.868381 ] [ 0.870944 0.5 0.526006 ] [ 0.969812 0 0.192594 ] [ 0.530188 0.5 0.807406 ] [ 0.629056 0 0.473994 ] [ 0.696023 0 0.131619 ] [ 0.303977 0 0.868381 ] [ 0.370944 0 0.526006 ] [ 0.469812 0.5 0.192594 ] [ 0.034256 0.5 0.6566 ] [ 0.172059 0 0.96605 ] [ 0.126552 0 0.28719 ] [ 0.873448 0 0.71281 ] [ 0.827941 0 0.03395 ] [ 0.965744 0.5 0.3434 ] [ 0.534256 0 0.6566 ] [ 0.672059 0.5 0.96605 ] [ 0.626552 0.5 0.28719 ] [ 0.373448 0.5 0.71281 ] [ 0.327941 0.5 0.03395 ] [ 0.465744 0 0.3434 ] [ 0.209174 0 0.619229 ] [ 0.790826 0 0.380771 ] [ 0 0.5 0 ] [ 0.709174 0.5 0.619229 ] [ 0.290826 0.5 0.380771 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 13.83520804 "source-unit" "angstrom" } "b" { "source-value" 3.31910215 "source-unit" "angstrom" } "c" { "source-value" 8.29917703 "source-unit" "angstrom" } "beta" { "source-value" 100.48504528 "source-unit" "degree" } }