{ "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" [ [ 0.204324 0 0.247103 ] [ 0.795676 0 0.752897 ] [ 0.704324 0.5 0.247103 ] [ 0.295676 0.5 0.752897 ] [ 0.920941 0 0.435184 ] [ 0.079059 0 0.564816 ] [ 0.046609 0.5 0.940253 ] [ 0.953391 0.5 0.059747 ] [ 0.420941 0.5 0.435184 ] [ 0.579059 0.5 0.564816 ] [ 0.546609 0 0.940253 ] [ 0.453391 0 0.059747 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.16797078 "source-unit" "angstrom" } "b" { "source-value" 3.84256141 "source-unit" "angstrom" } "c" { "source-value" 7.46845527 "source-unit" "angstrom" } "beta" { "source-value" 106.87385089 "source-unit" "degree" } }