{ "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" [ [ 0.864825 0.5 0.511961 ] [ 0.135175 0.5 0.488039 ] [ 0.967986 0 0.185952 ] [ 0.808636 0.5 0.862672 ] [ 0.191364 0.5 0.137328 ] [ 0.032014 0 0.814048 ] [ 0.364825 0 0.511961 ] [ 0.635175 0 0.488039 ] [ 0.467986 0.5 0.185952 ] [ 0.308636 0 0.862672 ] [ 0.691364 0 0.137328 ] [ 0.532014 0.5 0.814048 ] [ 0.872004 0 0.718228 ] [ 0.174468 0 0.969483 ] [ 0.206692 0 0.62263 ] [ 0.029037 0.5 0.657144 ] [ 0.970963 0.5 0.342856 ] [ 0 0.5 0 ] [ 0.825532 0 0.030517 ] [ 0.793308 0 0.37737 ] [ 0.127996 0 0.281772 ] [ 0.372004 0.5 0.718228 ] [ 0.674468 0.5 0.969483 ] [ 0.706692 0.5 0.62263 ] [ 0.529037 0 0.657144 ] [ 0.470963 0 0.342856 ] [ 0.5 0 0 ] [ 0.325532 0.5 0.030517 ] [ 0.293308 0.5 0.37737 ] [ 0.627996 0.5 0.281772 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "O" "O" "O" "O" "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" 14.1228034362 "source-unit" "angstrom" } "b" { "source-value" 3.51599795 "source-unit" "angstrom" } "c" { "source-value" 8.69533652614 "source-unit" "angstrom" } "beta" { "source-value" 100.412373352 "source-unit" "degree" } }