{ "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" [ [ 0.765532 0.99928 0.209461 ] [ 0.765532 0.50072 0.209461 ] [ 0.234468 0.49928 0.790539 ] [ 0.234468 0.00072 0.790539 ] [ 0.282537 0.75 0.427006 ] [ 0.717463 0.25 0.572994 ] [ 0.220124 0.25 0.346184 ] [ 0.779876 0.75 0.653816 ] [ 0.271575 0.25 0.069086 ] [ 0.728425 0.75 0.930914 ] [ 0.697323 0.75 0.069282 ] [ 0.042357 0.25 0.141086 ] [ 0.472479 0.25 0.173114 ] [ 0.197676 0.938066 0.332922 ] [ 0.197676 0.561934 0.332922 ] [ 0.840756 0.25 0.413487 ] [ 0.588449 0.75 0.451619 ] [ 0.411551 0.25 0.548381 ] [ 0.159244 0.75 0.586513 ] [ 0.802324 0.438066 0.667078 ] [ 0.802324 0.061934 0.667078 ] [ 0.527521 0.75 0.826886 ] [ 0.957643 0.75 0.858914 ] [ 0.302677 0.25 0.930718 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Si" "Si" "Bi" "Bi" "B" "B" "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" 5.4382905 "source-unit" "angstrom" } "b" { "source-value" 6.90897807 "source-unit" "angstrom" } "c" { "source-value" 9.41480087 "source-unit" "angstrom" } "beta" { "source-value" 90.91493792 "source-unit" "degree" } }