{ "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" [ [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.879762 0.370803 0.671958 ] [ 0.233302 0 0.247727 ] [ 0.879762 0.629197 0.671958 ] [ 0.120238 0.629197 0.328042 ] [ 0.766698 0 0.752273 ] [ 0.120238 0.370803 0.328042 ] [ 0.379762 0.870803 0.671958 ] [ 0.733302 0.5 0.247727 ] [ 0.379762 0.129197 0.671958 ] [ 0.620238 0.129197 0.328042 ] [ 0.266698 0.5 0.752273 ] [ 0.620238 0.870803 0.328042 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Na" "Na" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.94055204 "source-unit" "angstrom" } "b" { "source-value" 13.80912561 "source-unit" "angstrom" } "c" { "source-value" 6.23500673 "source-unit" "angstrom" } "beta" { "source-value" 96.13861118 "source-unit" "degree" } }