{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.638201 0.232547 0.260521 ] [ 0.361799 0.732547 0.739479 ] [ 0.002619 0.488268 0.994073 ] [ 0.997381 0.988268 0.005927 ] [ 0.340892 0.245158 0.626226 ] [ 0.659108 0.745158 0.373774 ] [ 0.035947 0.998823 0.530413 ] [ 0.964053 0.498823 0.469587 ] [ 0.673472 0.237733 0.803058 ] [ 0.326528 0.737733 0.196942 ] [ 0.233954 0.241224 0.297567 ] [ 0.766046 0.741224 0.702433 ] [ 0.205084 0.425047 0.710014 ] [ 0.794916 0.925047 0.289986 ] [ 0.208696 0.0482 0.701884 ] [ 0.791304 0.5482 0.298116 ] ] } "species" { "source-value" [ "Na" "Na" "Ca" "Ca" "Si" "Si" "H" "H" "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" 5.45344240251 "source-unit" "angstrom" } "b" { "source-value" 7.10884247 "source-unit" "angstrom" } "c" { "source-value" 5.53657034274 "source-unit" "angstrom" } "beta" { "source-value" 116.630628484 "source-unit" "degree" } }