{ "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" [ [ 0.767625 0.506103 0.234519 ] [ 0.767625 0.993897 0.234519 ] [ 0.232375 0.493897 0.765481 ] [ 0.232375 0.006103 0.765481 ] [ 0.223733 0.25 0.358068 ] [ 0.776267 0.75 0.641932 ] [ 0.293414 0.75 0.425136 ] [ 0.706586 0.25 0.574864 ] [ 0.280071 0.25 0.078923 ] [ 0.719929 0.75 0.921077 ] [ 0.724745 0.75 0.060111 ] [ 0.064519 0.25 0.154999 ] [ 0.483183 0.25 0.163945 ] [ 0.216142 0.938635 0.334309 ] [ 0.216142 0.561365 0.334309 ] [ 0.830502 0.25 0.420634 ] [ 0.595272 0.75 0.44819 ] [ 0.404728 0.25 0.55181 ] [ 0.169498 0.75 0.579366 ] [ 0.783858 0.438635 0.665691 ] [ 0.783858 0.061365 0.665691 ] [ 0.516817 0.75 0.836055 ] [ 0.935481 0.75 0.845001 ] [ 0.275255 0.25 0.939889 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "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" 5.23438407 "source-unit" "angstrom" } "b" { "source-value" 6.64082067 "source-unit" "angstrom" } "c" { "source-value" 9.00514745 "source-unit" "angstrom" } "beta" { "source-value" 91.26035351 "source-unit" "degree" } }