{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.375054 0.75 ] [ 0.5 0.124946 0.25 ] [ 0.5 0.875054 0.75 ] [ 0 0.624946 0.25 ] [ 0 0.271088 0.25 ] [ 0.5 0.228912 0.75 ] [ 0.5 0.771088 0.25 ] [ 0 0.728912 0.75 ] [ 0 0.010327 0.75 ] [ 0.5 0.489673 0.25 ] [ 0.5 0.510327 0.75 ] [ 0 0.989673 0.25 ] [ 0.818913 0.107507 0.866279 ] [ 0.181087 0.107507 0.633721 ] [ 0.318913 0.392493 0.366279 ] [ 0.681087 0.392493 0.133721 ] [ 0.318913 0.607507 0.866279 ] [ 0.681087 0.607507 0.633721 ] [ 0.818913 0.892493 0.366279 ] [ 0.181087 0.892493 0.133721 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Zn" "Zn" "Zn" "Zn" "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" 7.13317495858 "source-unit" "angstrom" } "b" { "source-value" 9.77324801 "source-unit" "angstrom" } "c" { "source-value" 5.62743602281 "source-unit" "angstrom" } "beta" { "source-value" 126.573767622 "source-unit" "degree" } }