{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.215991 0.266642 0.951002 ] [ 0.784009 0.266642 0.048998 ] [ 0.715991 0.766642 0.951002 ] [ 0.284009 0.766642 0.048998 ] [ 0.216844 0.927169 0.161233 ] [ 0.874294 0.755171 0.114118 ] [ 0.125706 0.755171 0.885882 ] [ 0.783156 0.927169 0.838767 ] [ 0.737029 0.121337 0.206617 ] [ 0.262971 0.121337 0.793383 ] [ 0.716844 0.427169 0.161233 ] [ 0.374294 0.255171 0.114118 ] [ 0.625706 0.255171 0.885882 ] [ 0.283156 0.427169 0.838767 ] [ 0.237029 0.621337 0.206617 ] [ 0.762971 0.621337 0.793383 ] [ 0.031959 0.75835 0.782988 ] [ 0.815814 0.039998 0.800708 ] [ 0.968041 0.75835 0.217012 ] [ 0.7239 0.025333 0.298557 ] [ 0.184186 0.039998 0.199292 ] [ 0.2761 0.025333 0.701443 ] [ 0.531959 0.25835 0.782988 ] [ 0.315814 0.539998 0.800708 ] [ 0.468041 0.25835 0.217012 ] [ 0.2239 0.525333 0.298557 ] [ 0.684186 0.539998 0.199292 ] [ 0.7761 0.525333 0.701443 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.9274313391 "source-unit" "angstrom" } "b" { "source-value" 9.36168044983 "source-unit" "angstrom" } "c" { "source-value" 7.6903907896 "source-unit" "angstrom" } "beta" { "source-value" 101.030975984 "source-unit" "degree" } }