{ "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" [ [ 0.240307 0.001598 0.214559 ] [ 0.240307 0.498402 0.214559 ] [ 0.759693 0.501598 0.785441 ] [ 0.759693 0.998402 0.785441 ] [ 0.786639 0.75 0.369107 ] [ 0.213361 0.25 0.630893 ] [ 0.737778 0.75 0.084563 ] [ 0.262222 0.25 0.915437 ] [ 0.725953 0.25 0.406875 ] [ 0.274047 0.75 0.593125 ] [ 0.296176 0.25 0.058649 ] [ 0.95928 0.75 0.158914 ] [ 0.529438 0.75 0.163031 ] [ 0.84625 0.075029 0.338681 ] [ 0.84625 0.424971 0.338681 ] [ 0.204047 0.75 0.428613 ] [ 0.445095 0.25 0.389971 ] [ 0.554905 0.75 0.610029 ] [ 0.795953 0.25 0.571387 ] [ 0.15375 0.575029 0.661319 ] [ 0.15375 0.924971 0.661319 ] [ 0.470562 0.25 0.836969 ] [ 0.04072 0.25 0.841086 ] [ 0.703824 0.75 0.941351 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Bi" "Bi" "B" "B" "P" "P" "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" 5.47746988 "source-unit" "angstrom" } "b" { "source-value" 7.05963467 "source-unit" "angstrom" } "c" { "source-value" 9.49918696 "source-unit" "angstrom" } "beta" { "source-value" 92.52387678 "source-unit" "degree" } }