{ "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" [ [ 0.328746 0.75 0.667233 ] [ 0.671254 0.25 0.332767 ] [ 0.294944 0.75 0.146855 ] [ 0.840626 0.75 0.701775 ] [ 0.857266 0.75 0.123472 ] [ 0.705056 0.25 0.853145 ] [ 0.159374 0.25 0.298225 ] [ 0.142734 0.25 0.876528 ] [ 0.398941 0.75 0.31397 ] [ 0.912681 0.75 0.602745 ] [ 0.691732 0.75 0.077143 ] [ 0.601059 0.25 0.68603 ] [ 0.087319 0.25 0.397255 ] [ 0.308268 0.25 0.922857 ] ] } "species" { "source-value" [ "Pr" "Pr" "H" "H" "H" "H" "H" "H" "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" 6.55565845399 "source-unit" "angstrom" } "b" { "source-value" 3.73877537 "source-unit" "angstrom" } "c" { "source-value" 6.57667326409 "source-unit" "angstrom" } "beta" { "source-value" 118.976850395 "source-unit" "degree" } }