{ "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" [ [ 0.708651 0.25 0.533861 ] [ 0.291349 0.75 0.466139 ] [ 0.267701 0.75 0.003256 ] [ 0.732299 0.25 0.996744 ] [ 0.696903 0.75 0.265528 ] [ 0.303097 0.25 0.734472 ] [ 0.643241 0.75 0.844342 ] [ 0.356759 0.25 0.155658 ] [ 0.951665 0.75 0.684281 ] [ 0.048335 0.25 0.315719 ] [ 0.891777 0.75 0.853438 ] [ 0.108223 0.25 0.146562 ] [ 0.540905 0.991892 0.748636 ] [ 0.459095 0.491892 0.251364 ] [ 0.459095 0.008108 0.251364 ] [ 0.540905 0.508108 0.748636 ] [ 0.630945 0.75 0.023764 ] [ 0.369055 0.25 0.976236 ] [ 0.740894 0.75 0.52674 ] [ 0.259106 0.25 0.47326 ] [ 0.086258 0.514493 0.68886 ] [ 0.913742 0.014493 0.31114 ] [ 0.913742 0.485507 0.31114 ] [ 0.086258 0.985507 0.68886 ] ] } "species" { "source-value" [ "Ba" "Ba" "Na" "Na" "Sc" "Sc" "Si" "Si" "Si" "Si" "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" 6.88294031 "source-unit" "angstrom" } "b" { "source-value" 5.69185331 "source-unit" "angstrom" } "c" { "source-value" 8.8784746 "source-unit" "angstrom" } "beta" { "source-value" 109.50690812 "source-unit" "degree" } }