{ "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" [ [ 0.967911 0.5 0.185968 ] [ 0.032089 0.5 0.814032 ] [ 0.191396 0 0.137173 ] [ 0.808604 0 0.862827 ] [ 0.135148 0 0.487632 ] [ 0.864852 0 0.512368 ] [ 0.467911 0 0.185968 ] [ 0.532089 0 0.814032 ] [ 0.691396 0.5 0.137173 ] [ 0.308604 0.5 0.862827 ] [ 0.635148 0.5 0.487632 ] [ 0.364852 0.5 0.512368 ] [ 0.793048 0.5 0.377395 ] [ 0.206952 0.5 0.622605 ] [ 0.029663 0 0.657084 ] [ 0.970337 0 0.342916 ] [ 0.825447 0.5 0.030978 ] [ 0.174553 0.5 0.969022 ] [ 0 0 0 ] [ 0.127613 0.5 0.281502 ] [ 0.872387 0.5 0.718498 ] [ 0.293048 0 0.377395 ] [ 0.706952 0 0.622605 ] [ 0.529663 0.5 0.657084 ] [ 0.470337 0.5 0.342916 ] [ 0.325447 0 0.030978 ] [ 0.674553 0 0.969022 ] [ 0.5 0.5 0 ] [ 0.627613 0 0.281502 ] [ 0.372387 0 0.718498 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "O" "O" "O" "O" "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" 13.9474516046 "source-unit" "angstrom" } "b" { "source-value" 3.46044464 "source-unit" "angstrom" } "c" { "source-value" 8.56523450028 "source-unit" "angstrom" } "beta" { "source-value" 100.378721322 "source-unit" "degree" } }