{ "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 0.333041 0 ] [ 0 0.666959 0 ] [ 0.5 0.833041 0 ] [ 0.5 0.166959 0 ] [ 0.949275 0 0.846983 ] [ 0.050725 0 0.153017 ] [ 0.449275 0.5 0.846983 ] [ 0.550725 0.5 0.153017 ] [ 0.761567 0.164458 0.776199 ] [ 0.238433 0.164458 0.223801 ] [ 0.745031 0 0.223597 ] [ 0.254969 0 0.776403 ] [ 0.238433 0.835542 0.223801 ] [ 0.761567 0.835542 0.776199 ] [ 0.261567 0.664458 0.776199 ] [ 0.738433 0.664458 0.223801 ] [ 0.245031 0.5 0.223597 ] [ 0.754969 0.5 0.776403 ] [ 0.738433 0.335542 0.223801 ] [ 0.261567 0.335542 0.776199 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.01078392326 "source-unit" "angstrom" } "b" { "source-value" 10.4102368108 "source-unit" "angstrom" } "c" { "source-value" 7.4925887424 "source-unit" "angstrom" } "beta" { "source-value" 105.36739955 "source-unit" "degree" } }