{ "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" [ [ 0.228592 0.494673 0.205729 ] [ 0.228592 0.005327 0.205729 ] [ 0.771408 0.505327 0.794271 ] [ 0.771408 0.994673 0.794271 ] [ 0.764062 0.75 0.377181 ] [ 0.235938 0.25 0.622819 ] [ 0.70676 0.25 0.412938 ] [ 0.29324 0.75 0.587062 ] [ 0.730952 0.75 0.076491 ] [ 0.269048 0.25 0.923509 ] [ 0.298885 0.25 0.057257 ] [ 0.957159 0.75 0.140453 ] [ 0.531518 0.75 0.163433 ] [ 0.831855 0.071372 0.350488 ] [ 0.831855 0.428628 0.350488 ] [ 0.25066 0.75 0.420228 ] [ 0.408823 0.25 0.38912 ] [ 0.591177 0.75 0.61088 ] [ 0.74934 0.25 0.579772 ] [ 0.168145 0.571372 0.649512 ] [ 0.168145 0.928628 0.649512 ] [ 0.468482 0.25 0.836567 ] [ 0.042841 0.25 0.859547 ] [ 0.701115 0.75 0.942743 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sm" "Sm" "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" 5.18577661 "source-unit" "angstrom" } "b" { "source-value" 7.11187632 "source-unit" "angstrom" } "c" { "source-value" 9.41393056 "source-unit" "angstrom" } "beta" { "source-value" 90.82261785 "source-unit" "degree" } }