{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.233983 0.495526 0.222835 ] [ 0.233983 0.004474 0.222835 ] [ 0.766017 0.504474 0.777165 ] [ 0.766017 0.995526 0.777165 ] [ 0.77226 0.75 0.359334 ] [ 0.22774 0.25 0.640666 ] [ 0.708781 0.25 0.4183 ] [ 0.291219 0.75 0.5817 ] [ 0.731393 0.75 0.066801 ] [ 0.268607 0.25 0.933199 ] [ 0.292087 0.25 0.069016 ] [ 0.951315 0.75 0.135153 ] [ 0.53495 0.75 0.154666 ] [ 0.797584 0.067283 0.339557 ] [ 0.797584 0.432717 0.339557 ] [ 0.184977 0.75 0.420805 ] [ 0.416042 0.25 0.426134 ] [ 0.583958 0.75 0.573866 ] [ 0.815023 0.25 0.579195 ] [ 0.202416 0.567283 0.660443 ] [ 0.202416 0.932717 0.660443 ] [ 0.46505 0.25 0.845334 ] [ 0.048685 0.25 0.864847 ] [ 0.707913 0.75 0.930984 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Er" "Er" "P" "P" "C" "C" "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" 5.3317712 "source-unit" "angstrom" } "b" { "source-value" 6.95251629 "source-unit" "angstrom" } "c" { "source-value" 9.20723618 "source-unit" "angstrom" } "beta" { "source-value" 91.11824209 "source-unit" "degree" } }