{ "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" [ [ 0.745219 0.8664 0.834543 ] [ 0.348737 0 0.723463 ] [ 0.254781 0.1336 0.165457 ] [ 0.254781 0.8664 0.165457 ] [ 0 0.833879 0.5 ] [ 0.651263 0 0.276537 ] [ 0 0.166121 0.5 ] [ 0.745219 0.1336 0.834543 ] [ 0.245219 0.3664 0.834543 ] [ 0.848737 0.5 0.723463 ] [ 0.754781 0.6336 0.165457 ] [ 0.754781 0.3664 0.165457 ] [ 0.5 0.333879 0.5 ] [ 0.151263 0.5 0.276537 ] [ 0.5 0.666121 0.5 ] [ 0.245219 0.6336 0.834543 ] [ 0.619176 0.80129 0.255251 ] [ 0.993279 0 0.749524 ] [ 0.619176 0.19871 0.255251 ] [ 0.380824 0.80129 0.744749 ] [ 0.006721 0 0.250476 ] [ 0.380824 0.19871 0.744749 ] [ 0.119176 0.30129 0.255251 ] [ 0.493279 0.5 0.749524 ] [ 0.119176 0.69871 0.255251 ] [ 0.880824 0.30129 0.744749 ] [ 0.506721 0.5 0.250476 ] [ 0.880824 0.69871 0.744749 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.45312934821 "source-unit" "angstrom" } "b" { "source-value" 13.7071898641 "source-unit" "angstrom" } "c" { "source-value" 6.0304114984 "source-unit" "angstrom" } "beta" { "source-value" 117.338066281 "source-unit" "degree" } }