{ "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" [ [ 0.902196 0.25 0.606154 ] [ 0.097804 0.75 0.393846 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.608501 0.25 0.882458 ] [ 0.391499 0.75 0.117542 ] [ 0.51335 0.25 0.224722 ] [ 0.48665 0.75 0.775278 ] [ 0.824186 0.25 0.887049 ] [ 0.175814 0.75 0.112951 ] [ 0.689897 0.457303 0.213604 ] [ 0.310103 0.957303 0.786396 ] [ 0.310103 0.542697 0.786396 ] [ 0.689897 0.042697 0.213604 ] [ 0.358523 0.25 0.360079 ] [ 0.641477 0.75 0.639921 ] [ 0.285937 0.25 0.082001 ] [ 0.714063 0.75 0.917999 ] ] } "species" { "source-value" [ "Tl" "Tl" "Cu" "Cu" "H" "H" "S" "S" "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" 4.57483811 "source-unit" "angstrom" } "b" { "source-value" 5.93990716 "source-unit" "angstrom" } "c" { "source-value" 8.99511587 "source-unit" "angstrom" } "beta" { "source-value" 96.24055097 "source-unit" "degree" } }